| 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 | 83.2 | Confident | 91.5 | Very high | 112 Ų | 112 | 58.8 Ų | 58.8 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | 0 | 138.6 | 0 | 172.5 | -175 | -85.3 | 0 | 0 | 108.3 | E5 L6 L9 Q31 P33 | M1-E5 HydrophobicContact CE-CG 4.27Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 HydrophobicContact CG-CG 4.09Å; M1-E5 HydrophobicContact SD-CB 4.44Å; M1-E5 HydrophobicContact SD-CG 4.21Å; M1-L6 HydrophobicContact SD-CB 4.1Å; M1-L9 HydrophobicContact CE-CD1 3.64Å; M1-L9 HydrophobicContact SD-CD1 4.19Å; M1-Q31 WeakPolarHBondContact CE-O 3.43Å; M1-P33 HydrophobicContact CB-CG 4.19Å; M1-P33 HydrophobicContact CE-CG 4.2Å | |||
| 2 | P | 88.4 | Confident | 91.9 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | trans | -65.6 | 144.3 | 176.3 | 26.2 | -31.3 | 0 | 0 | 0 | 111.1 | T4 E5 L6 | P2-T4 PolarHBondContact O-N 3.42Å; P2-E5 HydrophobicContact CG-CB 3.78Å; P2-E5 PolarHBondContact O-N 2.82Å; P2-L6 PolarHBondContact O-N 3.03Å | ||
| 3 | Y | 87.6 | Confident | 92.2 | Very high | 131 Ų | 131 | 53.1 Ų | 53.1 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.4 | -34.3 | -176.7 | -178.1 | -116.1 | 0 | 0 | 0 | 113.2 | E5 L6 L7 E189 | Y3-E5 VanDerWaalsContact C-N 3.32Å; Y3-E5 PolarHBondContact O-N 3.42Å; Y3-L6 HydrophobicContact CD2-CD2 4.07Å; Y3-L6 HydrophobicContact CE2-CD2 4.28Å; Y3-L6 WeakPolarHBondContact O-CB 3.42Å; Y3-L6 PolarHBondContact O-N 3.03Å; Y3-L7 HydrophobicContact CD1-CD1 3.76Å; Y3-L7 HydrophobicContact CD1-CG 4.34Å; Y3-L7 HydrophobicContact CE1-CD1 3.27Å; Y3-L7 HydrophobicContact CE1-CG 3.93Å; Y3-L7 HydrophobicContact CE2-CD1 4.37Å; Y3-L7 HydrophobicContact CE2-CD2 4.41Å; Y3-L7 HydrophobicContact CE2-CG 4.12Å; Y3-L7 HydrophobicContact CG-CD1 4.49Å; Y3-L7 WeakPolarHBondContact O-CG 3.47Å; Y3-L7 PolarHBondContact O-N 3.28Å; Y3-E189 PolarHBondContact OH-OE1 3.29Å; Y3-E189 PolarHBondContact OH-OE2 2.88Å |
| 4 | T | 90.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 176.4 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | P2 R8 L193 | P2-T4 PolarHBondContact O-N 3.42Å; T4-R8 WeakPolarHBondContact O-CB 3.44Å; T4-R8 PolarHBondContact O-N 2.78Å; T4-L193 HydrophobicContact CG2-CD2 4.03Å; T4-L193 WeakPolarHBondContact O-CD2 3.23Å |
| 5 | E | 90.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.1 | -38.5 | 178.3 | -175.9 | 64.8 | -178.4 | 0 | 0 | 111.7 | M1 P2 Y3 R8 L9 | M1-E5 HydrophobicContact CE-CG 4.27Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 HydrophobicContact CG-CG 4.09Å; M1-E5 HydrophobicContact SD-CB 4.44Å; M1-E5 HydrophobicContact SD-CG 4.21Å; P2-E5 HydrophobicContact CG-CB 3.78Å; P2-E5 PolarHBondContact O-N 2.82Å; Y3-E5 VanDerWaalsContact C-N 3.32Å; Y3-E5 PolarHBondContact O-N 3.42Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 IonicContact OE1-CZ 2.75Å; E5-R8 IonicContact OE1-NE 2.64Å; E5-R8 IonicContact OE1-NH2 3.83Å; E5-R8 PolarHBondContact OE1-NH2 3.35Å; E5-R8 IonicContact OE2-CZ 2.82Å; E5-R8 IonicContact OE2-NE 3.56Å; E5-R8 PolarHBondContact OE2-NE 3.12Å; E5-R8 IonicContact OE2-NH2 2.71Å; E5-R8 PolarHBondContact OE2-NH2 2.71Å; E5-L9 HydrophobicContact CG-CD1 4.28Å; E5-L9 WeakPolarHBondContact O-CG 3.36Å; E5-L9 PolarHBondContact O-N 3.22Å |
| 6 | L | 92.3 | Very high | 93 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 171.3 | 175 | 74.8 | 0 | 0 | 0 | 110.8 | M1 P2 Y3 R8 L9 W10 I32 | M1-L6 HydrophobicContact SD-CB 4.1Å; P2-L6 PolarHBondContact O-N 3.03Å; Y3-L6 HydrophobicContact CD2-CD2 4.07Å; Y3-L6 HydrophobicContact CE2-CD2 4.28Å; Y3-L6 WeakPolarHBondContact O-CB 3.42Å; Y3-L6 PolarHBondContact O-N 3.03Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 2.9Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-W10 VanDerWaalsContact O-CB 3.27Å; L6-W10 WeakPolarHBondContact O-CB 3.44Å; L6-W10 PolarHBondContact O-N 3.49Å; L6-I32 HydrophobicContact CD1-CB 4.37Å; L6-I32 HydrophobicContact CD1-CD1 4.02Å; L6-I32 HydrophobicContact CD1-CG1 4.18Å; L6-I32 HydrophobicContact CD1-CG2 3.31Å |
| 7 | L | 93.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 178.8 | -78.1 | 176.5 | 0 | 0 | 0 | 112.1 | Y3 W10 N11 P185 E189 L193 | Y3-L7 HydrophobicContact CD1-CD1 3.76Å; Y3-L7 HydrophobicContact CD1-CG 4.34Å; Y3-L7 HydrophobicContact CE1-CD1 3.27Å; Y3-L7 HydrophobicContact CE1-CG 3.93Å; Y3-L7 HydrophobicContact CE2-CD1 4.37Å; Y3-L7 HydrophobicContact CE2-CD2 4.41Å; Y3-L7 HydrophobicContact CE2-CG 4.12Å; Y3-L7 HydrophobicContact CG-CD1 4.49Å; Y3-L7 WeakPolarHBondContact O-CG 3.47Å; Y3-L7 PolarHBondContact O-N 3.28Å; L7-W10 HydrophobicContact CD2-CE3 4.21Å; L7-W10 HydrophobicContact CD2-CZ3 4.48Å; L7-N11 VanDerWaalsContact O-CB 3.23Å; L7-N11 WeakPolarHBondContact O-CB 3.49Å; L7-N11 PolarHBondContact O-N 2.93Å; L7-P185 HydrophobicContact CD2-CB 3.84Å; L7-E189 HydrophobicContact CD1-CB 3.86Å; L7-L193 HydrophobicContact CB-CD1 4.15Å; L7-L193 HydrophobicContact CB-CD2 4.34Å |
| 8 | R | 93.6 | Very high | 93.2 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.6 | -54 | 175.7 | -173.4 | -179.1 | 75 | 98 | -8.6 | 111.2 | T4 E5 L6 W10 N11 E12 L193 | T4-R8 WeakPolarHBondContact O-CB 3.44Å; T4-R8 PolarHBondContact O-N 2.78Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 IonicContact OE1-CZ 2.75Å; E5-R8 IonicContact OE1-NE 2.64Å; E5-R8 IonicContact OE1-NH2 3.83Å; E5-R8 PolarHBondContact OE1-NH2 3.35Å; E5-R8 IonicContact OE2-CZ 2.82Å; E5-R8 IonicContact OE2-NE 3.56Å; E5-R8 PolarHBondContact OE2-NE 3.12Å; E5-R8 IonicContact OE2-NH2 2.71Å; E5-R8 PolarHBondContact OE2-NH2 2.71Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 2.9Å; R8-W10 VanDerWaalsContact C-N 3.34Å; R8-W10 PolarHBondContact O-N 3.19Å; R8-N11 PolarHBondContact O-N 3.44Å; R8-E12 WeakPolarHBondContact CG-OE1 3.42Å; R8-E12 IonicContact CZ-OE1 3.92Å; R8-E12 IonicContact NE-OE1 3.56Å; R8-E12 IonicContact NH1-OE1 2.63Å; R8-E12 PolarHBondContact NH1-OE1 2.71Å; R8-E12 IonicContact NH1-OE2 2.63Å; R8-E12 WeakPolarHBondContact O-CB 3.5Å; R8-E12 WeakPolarHBondContact O-CG 3.45Å; R8-E12 PolarHBondContact O-N 3.17Å; R8-L193 HydrophobicContact CB-CD1 4.43Å |
| 9 | L | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 179.7 | -71.7 | 171.5 | 0 | 0 | 0 | 112.3 | M1 E5 L6 E12 S13 K28 Q31 I32 | M1-L9 HydrophobicContact CE-CD1 3.64Å; M1-L9 HydrophobicContact SD-CD1 4.19Å; E5-L9 HydrophobicContact CG-CD1 4.28Å; E5-L9 WeakPolarHBondContact O-CG 3.36Å; E5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.88Å; L9-E12 PolarHBondContact O-N 2.86Å; L9-S13 PolarHBondContact O-N 2.81Å; L9-K28 HydrophobicContact CD2-CD 4.39Å; L9-Q31 HydrophobicContact CD1-CB 3.98Å; L9-Q31 HydrophobicContact CD2-CB 4.26Å; L9-I32 HydrophobicContact CB-CD1 4.16Å; L9-I32 HydrophobicContact CB-CG1 3.96Å; L9-I32 HydrophobicContact CD1-CG1 4.04Å |
| 10 | W | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.5 | -177.4 | 18.2 | 0 | 0 | 0 | 111.9 | L6 L7 R8 S13 V14 R38 T39 N42 F183 P185 | L6-W10 VanDerWaalsContact O-CB 3.27Å; L6-W10 WeakPolarHBondContact O-CB 3.44Å; L6-W10 PolarHBondContact O-N 3.49Å; L7-W10 HydrophobicContact CD2-CE3 4.21Å; L7-W10 HydrophobicContact CD2-CZ3 4.48Å; R8-W10 VanDerWaalsContact C-N 3.34Å; R8-W10 PolarHBondContact O-N 3.19Å; W10-S13 PolarHBondContact O-N 3.47Å; W10-S13 PolarHBondContact O-OG 3.38Å; W10-V14 WeakPolarHBondContact O-CG2 3.4Å; W10-V14 PolarHBondContact O-N 2.82Å; W10-V14 VanDerWaalsContact O-N 3.13Å; W10-R38 HydrophobicContact CZ2-CB 4.23Å; W10-T39 HydrophobicContact CB-CG2 4.49Å; W10-T39 HydrophobicContact CD2-CG2 4.14Å; W10-T39 HydrophobicContact CG-CG2 3.96Å; W10-N42 PolarHBondContact NE1-ND2 3.36Å; W10-F183 HydrophobicContact CZ2-CB 4.12Å; W10-F183 PolarHBondContact NE1-O 3.11Å; W10-F183 VanDerWaalsContact NE1-O 3.14Å; W10-P185 HydrophobicContact CD2-CB 4.13Å; W10-P185 HydrophobicContact CD2-CG 3.94Å; W10-P185 HydrophobicContact CE3-CB 3.74Å; W10-P185 HydrophobicContact CE3-CG 4.06Å; W10-P185 HydrophobicContact CG-CG 4.22Å; W10-P185 HydrophobicContact CH2-CB 4.3Å; W10-P185 HydrophobicContact CZ3-CB 3.83Å |
| 11 | N | 95.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 175.2 | 178.7 | 65.9 | 0 | 0 | 0 | 112 | L7 R8 S13 V14 Q15 P185 | L7-N11 VanDerWaalsContact O-CB 3.23Å; L7-N11 WeakPolarHBondContact O-CB 3.49Å; L7-N11 PolarHBondContact O-N 2.93Å; R8-N11 PolarHBondContact O-N 3.44Å; N11-S13 VanDerWaalsContact C-N 3.3Å; N11-S13 PolarHBondContact O-N 3.37Å; N11-V14 PolarHBondContact O-N 3.16Å; N11-Q15 PolarHBondContact ND2-NE2 3.5Å; N11-Q15 WeakPolarHBondContact O-CG 3.38Å; N11-Q15 PolarHBondContact O-N 3.05Å; N11-P185 HydrophobicContact CB-CG 4.02Å |
| 12 | E | 96.2 | Very high | 94.2 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 175.1 | -75 | 178 | -159.7 | 0 | 0 | 111.7 | R8 L9 Q15 A16 K28 | R8-E12 WeakPolarHBondContact CG-OE1 3.42Å; R8-E12 IonicContact CZ-OE1 3.92Å; R8-E12 IonicContact NE-OE1 3.56Å; R8-E12 IonicContact NH1-OE1 2.63Å; R8-E12 PolarHBondContact NH1-OE1 2.71Å; R8-E12 IonicContact NH1-OE2 2.63Å; R8-E12 WeakPolarHBondContact O-CB 3.5Å; R8-E12 WeakPolarHBondContact O-CG 3.45Å; R8-E12 PolarHBondContact O-N 3.17Å; L9-E12 PolarHBondContact O-N 2.86Å; E12-Q15 PolarHBondContact O-N 3.42Å; E12-A16 PolarHBondContact O-N 2.95Å; E12-K28 HydrophobicContact CB-CD 4.26Å; E12-K28 HydrophobicContact CB-CG 4.36Å; E12-K28 WeakPolarHBondContact OE2-CD 3.44Å; E12-K28 WeakPolarHBondContact OE2-CE 3.43Å; E12-K28 IonicContact OE2-NZ 3.66Å; E12-K28 PolarHBondContact OE2-NZ 3.22Å |
| 13 | S | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 176.6 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | L9 W10 N11 Q15 A16 V17 A25 L29 | L9-S13 PolarHBondContact O-N 2.81Å; W10-S13 PolarHBondContact O-N 3.47Å; W10-S13 PolarHBondContact O-OG 3.38Å; N11-S13 VanDerWaalsContact C-N 3.3Å; N11-S13 PolarHBondContact O-N 3.37Å; S13-Q15 VanDerWaalsContact C-N 3.35Å; S13-A16 PolarHBondContact O-N 3.02Å; S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 3.41Å; S13-A25 WeakPolarHBondContact CB-O 3.39Å; S13-A25 WeakPolarHBondContact O-CB 3.4Å; S13-L29 VanDerWaalsContact OG-CD2 3.31Å; S13-L29 WeakPolarHBondContact OG-CD2 3.4Å |
| 14 | V | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | W10 N11 A16 V17 D18 V182 F183 R184 | W10-V14 WeakPolarHBondContact O-CG2 3.4Å; W10-V14 PolarHBondContact O-N 2.82Å; W10-V14 VanDerWaalsContact O-N 3.13Å; N11-V14 PolarHBondContact O-N 3.16Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-V17 WeakPolarHBondContact O-CB 3.47Å; V14-V17 PolarHBondContact O-N 2.62Å; V14-D18 PolarHBondContact O-N 3.02Å; V14-V182 HydrophobicContact CG1-CG2 4.25Å; V14-V182 HydrophobicContact CG2-CG2 4.28Å; V14-F183 WeakPolarHBondContact CG2-O 3.37Å; V14-R184 HydrophobicContact CG1-CG 3.8Å |
| 15 | Q | 95.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 48 Ų | 48 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.9 | -71.9 | 175.9 | -4.7 | 0 | 0 | 111.9 | N11 E12 S13 D18 A19 | N11-Q15 PolarHBondContact ND2-NE2 3.5Å; N11-Q15 WeakPolarHBondContact O-CG 3.38Å; N11-Q15 PolarHBondContact O-N 3.05Å; E12-Q15 PolarHBondContact O-N 3.42Å; S13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-D18 WeakPolarHBondContact O-CB 3.46Å; Q15-D18 PolarHBondContact O-N 3.18Å; Q15-A19 PolarHBondContact O-N 3.17Å |
| 16 | A | 96.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E12 S13 V14 D18 A19 K20 D21 A25 | E12-A16 PolarHBondContact O-N 2.95Å; S13-A16 PolarHBondContact O-N 3.02Å; V14-A16 VanDerWaalsContact C-N 3.35Å; A16-D18 VanDerWaalsContact C-N 3.34Å; A16-D18 PolarHBondContact O-N 3.04Å; A16-A19 CarbonylContact O-C 3.5Å; A16-A19 WeakPolarHBondContact O-CA 3.48Å; A16-A19 PolarHBondContact O-N 3.39Å; A16-A19 VanDerWaalsContact O-N 3.13Å; A16-K20 PolarHBondContact O-N 3.19Å; A16-K20 VanDerWaalsContact O-N 3.13Å; A16-D21 CarbonylContact C-O 3.46Å; A16-D21 HydrophobicContact CB-CB 4.33Å; A16-D21 PolarHBondContact O-N 2.92Å; A16-A25 HydrophobicContact CB-CB 3.86Å |
| 17 | V | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 171.1 | 163 | 0 | 0 | 0 | 0 | 111.8 | S13 V14 A19 K20 W22 A25 V182 | S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 3.41Å; V14-V17 WeakPolarHBondContact O-CB 3.47Å; V14-V17 PolarHBondContact O-N 2.62Å; V17-A19 VanDerWaalsContact C-N 3.25Å; V17-A19 PolarHBondContact O-N 2.87Å; V17-K20 WeakPolarHBondContact O-CA 3.16Å; V17-K20 PolarHBondContact O-N 3.18Å; V17-W22 HydrophobicContact CB-CZ3 4.19Å; V17-W22 HydrophobicContact CG1-CH2 4.31Å; V17-W22 HydrophobicContact CG1-CZ3 3.68Å; V17-W22 HydrophobicContact CG2-CE3 4.23Å; V17-W22 HydrophobicContact CG2-CZ3 4.12Å; V17-A25 HydrophobicContact CG2-CB 3.7Å; V17-V182 HydrophobicContact CB-CG2 4.38Å; V17-V182 HydrophobicContact CG1-CG1 3.96Å; V17-V182 HydrophobicContact CG1-CG2 3.82Å; V17-V182 HydrophobicContact CG2-CG1 4.35Å |
| 18 | D | 94.8 | Very high | 96 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | 177.1 | -75.1 | -24 | 0 | 0 | 0 | 112.3 | V14 Q15 A16 K20 R184 | V14-D18 PolarHBondContact O-N 3.02Å; Q15-D18 WeakPolarHBondContact O-CB 3.46Å; Q15-D18 PolarHBondContact O-N 3.18Å; A16-D18 VanDerWaalsContact C-N 3.34Å; A16-D18 PolarHBondContact O-N 3.04Å; D18-K20 PolarHBondContact O-N 3.33Å; D18-R184 VanDerWaalsContact CG-NH2 3.35Å; D18-R184 IonicContact OD1-CZ 3.97Å; D18-R184 IonicContact OD1-NH1 2.72Å; D18-R184 IonicContact OD1-NH2 3.95Å; D18-R184 PolarHBondContact OD1-NH2 3.09Å; D18-R184 IonicContact OD2-CZ 2.71Å; D18-R184 IonicContact OD2-NH1 3.62Å; D18-R184 PolarHBondContact OD2-NH1 3.1Å; D18-R184 IonicContact OD2-NH2 2.74Å; D18-R184 PolarHBondContact OD2-NH2 3.37Å |
| 19 | A | 96.1 | Very high | 96 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 61% | 0.612 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q15 A16 V17 D21 | Q15-A19 PolarHBondContact O-N 3.17Å; A16-A19 CarbonylContact O-C 3.5Å; A16-A19 WeakPolarHBondContact O-CA 3.48Å; A16-A19 PolarHBondContact O-N 3.39Å; A16-A19 VanDerWaalsContact O-N 3.13Å; V17-A19 VanDerWaalsContact C-N 3.25Å; V17-A19 PolarHBondContact O-N 2.87Å; A19-D21 PolarHBondContact O-N 3.03Å |
| 20 | K | 94.9 | Very high | 96 | Very high | 160 Ų | 160 | 51.6 Ų | 51.6 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21.4 | -171.4 | -53.1 | 179 | 178.5 | -179.8 | 0 | 114 | A16 V17 D18 W22 | A16-K20 PolarHBondContact O-N 3.19Å; A16-K20 VanDerWaalsContact O-N 3.13Å; V17-K20 WeakPolarHBondContact O-CA 3.16Å; V17-K20 PolarHBondContact O-N 3.18Å; D18-K20 PolarHBondContact O-N 3.33Å; K20-W22 HydrophobicContact CB-CZ2 4.18Å; K20-W22 HydrophobicContact CG-CZ2 4.32Å; K20-W22 PolarHBondContact O-N 3.04Å; K20-W22 PolarHBondContact O-NE1 3.46Å |
| 21 | D | 96.3 | Very high | 96 | Very high | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | trans | -88.6 | 82.1 | 171.7 | 179.7 | 13 | 0 | 0 | 0 | 109.4 | A16 A19 G24 A25 | A16-D21 CarbonylContact C-O 3.46Å; A16-D21 HydrophobicContact CB-CB 4.33Å; A16-D21 PolarHBondContact O-N 2.92Å; A19-D21 PolarHBondContact O-N 3.03Å; D21-G24 WeakPolarHBondContact OD1-CA 3.4Å; D21-G24 PolarHBondContact OD1-N 3Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; D21-A25 WeakPolarHBondContact O-CB 3.48Å; D21-A25 PolarHBondContact O-N 3.45Å | ||
| 22 | W | 95.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.3 | -37.7 | -175.9 | -48.3 | 113.5 | 0 | 0 | 0 | 112.6 | V17 K20 A25 L26 A46 A49 L50 | V17-W22 HydrophobicContact CB-CZ3 4.19Å; V17-W22 HydrophobicContact CG1-CH2 4.31Å; V17-W22 HydrophobicContact CG1-CZ3 3.68Å; V17-W22 HydrophobicContact CG2-CE3 4.23Å; V17-W22 HydrophobicContact CG2-CZ3 4.12Å; K20-W22 HydrophobicContact CB-CZ2 4.18Å; K20-W22 HydrophobicContact CG-CZ2 4.32Å; K20-W22 PolarHBondContact O-N 3.04Å; K20-W22 PolarHBondContact O-NE1 3.46Å; W22-A25 PolarHBondContact O-N 3.4Å; W22-L26 WeakPolarHBondContact O-CG 3.4Å; W22-L26 PolarHBondContact O-N 3.49Å; W22-A46 HydrophobicContact CB-CB 4.46Å; W22-A46 HydrophobicContact CE3-CB 4.37Å; W22-A49 HydrophobicContact CD2-CB 3.47Å; W22-A49 VanDerWaalsContact CD2-CB 3.47Å; W22-A49 VanDerWaalsContact CE2-CB 3.49Å; W22-A49 HydrophobicContact CE3-CB 3.76Å; W22-A49 HydrophobicContact CG-CB 3.92Å; W22-A49 HydrophobicContact CH2-CB 4.12Å; W22-A49 HydrophobicContact CZ2-CB 3.85Å; W22-A49 HydrophobicContact CZ3-CB 4.05Å; W22-L50 HydrophobicContact CB-CD1 4Å; W22-L50 HydrophobicContact CB-CD2 3.87Å; W22-L50 HydrophobicContact CB-CG 3.73Å; W22-L50 HydrophobicContact CG-CD2 4.35Å; W22-L50 HydrophobicContact CG-CG 4.36Å |
| 23 | E | 96.7 | Very high | 95.5 | Very high | 138 Ų | 138 | 57.4 Ų | 57.4 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.1 | -43.4 | 178.1 | -65.4 | -175.2 | 170.3 | 0 | 0 | 110.9 | A25 L26 A27 L50 | E23-A25 VanDerWaalsContact C-N 3.32Å; E23-A25 PolarHBondContact O-N 3.07Å; E23-L26 PolarHBondContact O-N 3.11Å; E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.42Å; E23-L50 HydrophobicContact CG-CD1 4.16Å; E23-L50 HydrophobicContact CG-CD2 4.28Å |
| 24 | G | 96.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | D21 L26 A27 K28 | D21-G24 WeakPolarHBondContact OD1-CA 3.4Å; D21-G24 PolarHBondContact OD1-N 3Å; D21-G24 WeakPolarHBondContact OD2-CA 3.39Å; G24-L26 PolarHBondContact O-N 3.24Å; G24-A27 PolarHBondContact O-N 2.98Å; G24-K28 VanDerWaalsContact O-CG 3.28Å; G24-K28 WeakPolarHBondContact O-CG 3.38Å; G24-K28 PolarHBondContact O-N 3.38Å; G24-K28 VanDerWaalsContact O-N 3.09Å |
| 25 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S13 A16 V17 D21 W22 E23 K28 L29 | S13-A25 WeakPolarHBondContact CB-O 3.39Å; S13-A25 WeakPolarHBondContact O-CB 3.4Å; A16-A25 HydrophobicContact CB-CB 3.86Å; V17-A25 HydrophobicContact CG2-CB 3.7Å; D21-A25 WeakPolarHBondContact O-CB 3.48Å; D21-A25 PolarHBondContact O-N 3.45Å; W22-A25 PolarHBondContact O-N 3.4Å; E23-A25 VanDerWaalsContact C-N 3.32Å; E23-A25 PolarHBondContact O-N 3.07Å; A25-K28 PolarHBondContact O-N 3.48Å; A25-L29 WeakPolarHBondContact O-CG 3.21Å; A25-L29 PolarHBondContact O-N 3.4Å |
| 26 | L | 96.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.3 | -71.9 | 169.9 | 0 | 0 | 0 | 112 | W22 E23 G24 K28 L29 Q30 A43 A46 H47 L50 | W22-L26 WeakPolarHBondContact O-CG 3.4Å; W22-L26 PolarHBondContact O-N 3.49Å; E23-L26 PolarHBondContact O-N 3.11Å; G24-L26 PolarHBondContact O-N 3.24Å; L26-K28 VanDerWaalsContact C-N 3.25Å; L26-K28 PolarHBondContact O-N 3.19Å; L26-L29 PolarHBondContact O-N 3.45Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L26-Q30 WeakPolarHBondContact O-CB 3.32Å; L26-Q30 VanDerWaalsContact O-CG 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.1Å; L26-Q30 PolarHBondContact O-N 3.42Å; L26-A43 HydrophobicContact CD2-CB 3.91Å; L26-A46 HydrophobicContact CD1-CB 4.28Å; L26-A46 HydrophobicContact CD2-CB 3.9Å; L26-A46 HydrophobicContact CG-CB 3.82Å; L26-H47 VanDerWaalsContact CD1-CE1 3.48Å; L26-H47 WeakPolarHBondContact CD1-CE1 3.13Å; L26-L50 HydrophobicContact CD1-CD1 3.7Å |
| 27 | A | 96.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 63.9 Ų | 63.9 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E23 G24 Q31 | E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.42Å; G24-A27 PolarHBondContact O-N 2.98Å; A27-Q31 WeakPolarHBondContact O-CG 3.42Å; A27-Q31 PolarHBondContact O-NE2 2.78Å |
| 28 | K | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.6 | -40.6 | 174.5 | -64.2 | -67.1 | 179.5 | 164.3 | 0 | 112.3 | L9 E12 G24 A25 L26 Q31 | L9-K28 HydrophobicContact CD2-CD 4.39Å; E12-K28 HydrophobicContact CB-CD 4.26Å; E12-K28 HydrophobicContact CB-CG 4.36Å; E12-K28 WeakPolarHBondContact OE2-CD 3.44Å; E12-K28 WeakPolarHBondContact OE2-CE 3.43Å; E12-K28 IonicContact OE2-NZ 3.66Å; E12-K28 PolarHBondContact OE2-NZ 3.22Å; G24-K28 VanDerWaalsContact O-CG 3.28Å; G24-K28 WeakPolarHBondContact O-CG 3.38Å; G24-K28 PolarHBondContact O-N 3.38Å; G24-K28 VanDerWaalsContact O-N 3.09Å; A25-K28 PolarHBondContact O-N 3.48Å; L26-K28 VanDerWaalsContact C-N 3.25Å; L26-K28 PolarHBondContact O-N 3.19Å; K28-Q31 PolarHBondContact O-N 3.34Å |
| 29 | L | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 177.5 | -70.5 | 170.9 | 0 | 0 | 0 | 112.4 | S13 A25 L26 Q31 I32 Q35 T39 N42 A43 | S13-L29 VanDerWaalsContact OG-CD2 3.31Å; S13-L29 WeakPolarHBondContact OG-CD2 3.4Å; A25-L29 WeakPolarHBondContact O-CG 3.21Å; A25-L29 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.45Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L29-Q31 PolarHBondContact O-N 2.92Å; L29-I32 HydrophobicContact CD2-CD1 4.13Å; L29-I32 WeakPolarHBondContact O-CB 3.45Å; L29-I32 PolarHBondContact O-N 2.92Å; L29-I32 VanDerWaalsContact O-N 3.11Å; L29-Q35 PolarHBondContact O-NE2 2.87Å; L29-T39 HydrophobicContact CD2-CG2 4.18Å; L29-N42 HydrophobicContact CD1-CB 4.02Å; L29-A43 HydrophobicContact CD1-CB 3.93Å |
| 30 | Q | 94.6 | Very high | 94.8 | Very high | 138 Ų | 138 | 61.3 Ų | 61.3 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.7 | -23.6 | 177 | -74.6 | 173.6 | -3.2 | 0 | 0 | 113.6 | L26 I32 | L26-Q30 WeakPolarHBondContact O-CB 3.32Å; L26-Q30 VanDerWaalsContact O-CG 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.1Å; L26-Q30 PolarHBondContact O-N 3.42Å; Q30-I32 PolarHBondContact O-N 3.23Å |
| 31 | Q | 94.9 | Very high | 94.9 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14 | 174.1 | -71.2 | 168 | 59.5 | 0 | 0 | 112.7 | M1 L9 A27 K28 L29 P33 | M1-Q31 WeakPolarHBondContact CE-O 3.43Å; L9-Q31 HydrophobicContact CD1-CB 3.98Å; L9-Q31 HydrophobicContact CD2-CB 4.26Å; A27-Q31 WeakPolarHBondContact O-CG 3.42Å; A27-Q31 PolarHBondContact O-NE2 2.78Å; K28-Q31 PolarHBondContact O-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.92Å; Q31-P33 VanDerWaalsContact O-CD 3.29Å; Q31-P33 WeakPolarHBondContact O-CD 3.33Å |
| 32 | I | 93.8 | Very high | 95 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | trans | -83.8 | 111.8 | 177.1 | -57.9 | 171.4 | 0 | 0 | 0 | 108.3 | L6 L9 L29 Q30 E34 Q35 T39 | L6-I32 HydrophobicContact CD1-CB 4.37Å; L6-I32 HydrophobicContact CD1-CD1 4.02Å; L6-I32 HydrophobicContact CD1-CG1 4.18Å; L6-I32 HydrophobicContact CD1-CG2 3.31Å; L9-I32 HydrophobicContact CB-CD1 4.16Å; L9-I32 HydrophobicContact CB-CG1 3.96Å; L9-I32 HydrophobicContact CD1-CG1 4.04Å; L29-I32 HydrophobicContact CD2-CD1 4.13Å; L29-I32 WeakPolarHBondContact O-CB 3.45Å; L29-I32 PolarHBondContact O-N 2.92Å; L29-I32 VanDerWaalsContact O-N 3.11Å; Q30-I32 PolarHBondContact O-N 3.23Å; I32-E34 WeakPolarHBondContact CG2-O 3.42Å; I32-Q35 HydrophobicContact CB-CG 4.04Å; I32-Q35 HydrophobicContact CG2-CG 4.02Å; I32-T39 HydrophobicContact CD1-CG2 4.31Å | ||
| 33 | P | 88.4 | Confident | 95 | Very high | 99 Ų | 99 | 48 Ų | 48 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -70.2 | -36.8 | -175.8 | 27 | -33.8 | 0 | 0 | 0 | 112.4 | M1 Q31 | M1-P33 HydrophobicContact CB-CG 4.19Å; M1-P33 HydrophobicContact CE-CG 4.2Å; Q31-P33 VanDerWaalsContact O-CD 3.29Å; Q31-P33 WeakPolarHBondContact O-CD 3.33Å |
| 34 | E | 88.9 | Confident | 95 | Very high | 167 Ų | 167 | 41.4 Ų | 41.4 | 78% | 0.78 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -115.7 | 90.6 | 177 | -73.8 | -179.4 | -167.7 | 0 | 0 | 109.5 | I32 | I32-E34 WeakPolarHBondContact CG2-O 3.42Š|
| 35 | Q | 90.4 | Very high | 95 | Very high | 40 Ų | 40 | 41 Ų | 41 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | trans | -75.1 | 141.4 | 178.1 | -74.9 | -179.7 | 53 | 0 | 0 | 111.2 | L29 I32 T39 H40 | L29-Q35 PolarHBondContact O-NE2 2.87Å; I32-Q35 HydrophobicContact CB-CG 4.04Å; I32-Q35 HydrophobicContact CG2-CG 4.02Å; Q35-T39 WeakPolarHBondContact CA-OG1 3.46Å; Q35-T39 WeakPolarHBondContact CB-OG1 3.41Å; Q35-H40 WeakPolarHBondContact CB-CE1 3.45Å; Q35-H40 VanDerWaalsContact CB-NE2 3.33Å; Q35-H40 WeakPolarHBondContact CB-NE2 3.49Å; Q35-H40 PolarHBondContact OE1-CE1 3.35Å; Q35-H40 PolarHBondContact OE1-ND1 3.15Å | ||
| 36 | T | 93.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | trans | -84.8 | 166 | 171.5 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | R38 T39 H40 | T36-R38 PolarHBondContact O-N 3.18Å; T36-T39 PolarHBondContact N-OG1 3.13Å; T36-T39 PolarHBondContact O-N 3.46Å; T36-T39 PolarHBondContact O-OG1 3.48Å; T36-T39 PolarHBondContact OG1-N 3.41Å; T36-T39 PolarHBondContact OG1-OG1 3.08Å; T36-H40 PolarHBondContact O-CD2 3.06Å; T36-H40 PolarHBondContact O-N 2.91Å | ||
| 37 | S | 96.1 | Very high | 95 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.8 | -44.9 | 172.7 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | T39 H40 F41 T63 | S37-T39 PolarHBondContact O-N 3.17Å; S37-H40 PolarHBondContact O-N 3.43Å; S37-F41 PolarHBondContact O-N 2.89Å; S37-T63 WeakPolarHBondContact CB-O 3.11Å; S37-T63 WeakPolarHBondContact O-CG2 3.12Å |
| 38 | R | 95.5 | Very high | 94.9 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 179.5 | -67.5 | 171.3 | -74.4 | 177.4 | -2.9 | 113.3 | W10 T36 F41 N42 F183 | W10-R38 HydrophobicContact CZ2-CB 4.23Å; T36-R38 PolarHBondContact O-N 3.18Å; R38-F41 PolarHBondContact O-N 3.2Å; R38-N42 PolarHBondContact O-N 3.02Å; R38-N42 PolarHBondContact O-OD1 3.24Å; R38-F183 HydrophobicContact CB-CB 3.88Å; R38-F183 HydrophobicContact CB-CD1 4.39Å; R38-F183 HydrophobicContact CB-CD2 4.17Å; R38-F183 HydrophobicContact CB-CG 3.9Å; R38-F183 HydrophobicContact CG-CB 4.23Å; R38-F183 HydrophobicContact CG-CD1 3.81Å; R38-F183 HydrophobicContact CG-CD2 4.2Å; R38-F183 HydrophobicContact CG-CE1 4.19Å; R38-F183 HydrophobicContact CG-CG 3.83Å |
| 39 | T | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.1 | -36 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | W10 L29 I32 Q35 T36 S37 N42 A43 | W10-T39 HydrophobicContact CB-CG2 4.49Å; W10-T39 HydrophobicContact CD2-CG2 4.14Å; W10-T39 HydrophobicContact CG-CG2 3.96Å; L29-T39 HydrophobicContact CD2-CG2 4.18Å; I32-T39 HydrophobicContact CD1-CG2 4.31Å; Q35-T39 WeakPolarHBondContact CA-OG1 3.46Å; Q35-T39 WeakPolarHBondContact CB-OG1 3.41Å; T36-T39 PolarHBondContact N-OG1 3.13Å; T36-T39 PolarHBondContact O-N 3.46Å; T36-T39 PolarHBondContact O-OG1 3.48Å; T36-T39 PolarHBondContact OG1-N 3.41Å; T36-T39 PolarHBondContact OG1-OG1 3.08Å; S37-T39 PolarHBondContact O-N 3.17Å; T39-N42 PolarHBondContact O-N 3.48Å; T39-A43 PolarHBondContact O-N 3.02Å |
| 40 | H | 96.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 171.5 | -77.1 | -52.4 | 0 | 0 | 0 | 112.2 | Q35 T36 S37 N42 A43 A44 T63 | Q35-H40 WeakPolarHBondContact CB-CE1 3.45Å; Q35-H40 VanDerWaalsContact CB-NE2 3.33Å; Q35-H40 WeakPolarHBondContact CB-NE2 3.49Å; Q35-H40 PolarHBondContact OE1-CE1 3.35Å; Q35-H40 PolarHBondContact OE1-ND1 3.15Å; T36-H40 PolarHBondContact O-CD2 3.06Å; T36-H40 PolarHBondContact O-N 2.91Å; S37-H40 PolarHBondContact O-N 3.43Å; H40-N42 VanDerWaalsContact C-N 3.3Å; H40-N42 PolarHBondContact O-N 3.2Å; H40-A43 WeakPolarHBondContact O-CB 3.3Å; H40-A43 PolarHBondContact O-N 3.42Å; H40-A43 VanDerWaalsContact O-N 3.16Å; H40-A44 PolarHBondContact O-N 2.91Å; H40-T63 VanDerWaalsContact CB-OG1 3.23Å; H40-T63 WeakPolarHBondContact CB-OG1 3.21Å |
| 41 | F | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.7 | -173.2 | -84.4 | 0 | 0 | 0 | 111.9 | S37 R38 A44 S45 L60 T63 V72 A73 Q76 L114 V177 F183 | S37-F41 PolarHBondContact O-N 2.89Å; R38-F41 PolarHBondContact O-N 3.2Å; F41-A44 WeakPolarHBondContact O-CB 3.41Å; F41-A44 PolarHBondContact O-N 2.9Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.37Å; F41-L60 HydrophobicContact CD2-CD2 3.97Å; F41-L60 HydrophobicContact CE2-CD2 4.23Å; F41-T63 HydrophobicContact CB-CG2 4.03Å; F41-T63 HydrophobicContact CD2-CG2 4.32Å; F41-T63 PolarHBondContact N-OG1 3.47Å; F41-T63 VanDerWaalsContact N-OG1 3.11Å; F41-V72 HydrophobicContact CE2-CG1 4.31Å; F41-V72 HydrophobicContact CE2-CG2 4.3Å; F41-V72 HydrophobicContact CZ-CG2 4.11Å; F41-A73 HydrophobicContact CD2-CB 4.34Å; F41-Q76 HydrophobicContact CE2-CB 3.96Å; F41-Q76 HydrophobicContact CE2-CG 4.3Å; F41-Q76 HydrophobicContact CZ-CB 4.36Å; F41-Q76 HydrophobicContact CZ-CG 4.42Å; F41-L114 HydrophobicContact CE1-CD2 4.44Å; F41-V177 HydrophobicContact CZ-CG2 4.35Å; F41-F183 HydrophobicContact CB-CD2 3.93Å; F41-F183 HydrophobicContact CB-CE2 3.92Å; F41-F183 AromaticContact CD1-CD2 3.51Å; F41-F183 HydrophobicContact CD1-CD2 3.51Å; F41-F183 AromaticContact CD1-CE2 3.48Å; F41-F183 HydrophobicContact CD1-CE2 3.48Å; F41-F183 VanDerWaalsContact CD1-CE2 3.48Å; F41-F183 HydrophobicContact CD2-CE2 4.18Å; F41-F183 HydrophobicContact CE1-CD2 4.27Å; F41-F183 HydrophobicContact CE1-CE2 4.01Å; F41-F183 AromaticContact CG-CD2 3.87Å; F41-F183 HydrophobicContact CG-CD2 3.87Å; F41-F183 AromaticContact CG-CE2 3.58Å; F41-F183 HydrophobicContact CG-CE2 3.58Å |
| 42 | N | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 174.2 | -72.2 | 6.6 | 0 | 0 | 0 | 111.9 | W10 L29 R38 T39 H40 A44 S45 A46 V182 F183 | W10-N42 PolarHBondContact NE1-ND2 3.36Å; L29-N42 HydrophobicContact CD1-CB 4.02Å; R38-N42 PolarHBondContact O-N 3.02Å; R38-N42 PolarHBondContact O-OD1 3.24Å; T39-N42 PolarHBondContact O-N 3.48Å; H40-N42 VanDerWaalsContact C-N 3.3Å; H40-N42 PolarHBondContact O-N 3.2Å; N42-A44 VanDerWaalsContact C-N 3.35Å; N42-S45 WeakPolarHBondContact O-CB 3.43Å; N42-S45 PolarHBondContact O-N 2.89Å; N42-A46 PolarHBondContact O-N 3.29Å; N42-V182 WeakPolarHBondContact OD1-CB 3.48Å; N42-F183 PolarHBondContact ND2-O 3.17Å; N42-F183 WeakPolarHBondContact OD1-CB 3.3Å; N42-F183 PolarHBondContact OD1-N 3.18Å |
| 43 | A | 96.5 | Very high | 95 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L26 L29 T39 H40 S45 A46 H47 C59 | L26-A43 HydrophobicContact CD2-CB 3.91Å; L29-A43 HydrophobicContact CD1-CB 3.93Å; T39-A43 PolarHBondContact O-N 3.02Å; H40-A43 WeakPolarHBondContact O-CB 3.3Å; H40-A43 PolarHBondContact O-N 3.42Å; H40-A43 VanDerWaalsContact O-N 3.16Å; A43-S45 VanDerWaalsContact C-N 3.32Å; A43-S45 PolarHBondContact O-N 3.14Å; A43-A46 PolarHBondContact O-N 2.97Å; A43-H47 PolarHBondContact O-CD2 3.22Å; A43-H47 VanDerWaalsContact O-CD2 3.22Å; A43-H47 PolarHBondContact O-N 3.1Å; A43-C59 HydrophobicContact CB-CB 4.49Å |
| 44 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | H40 F41 N42 A46 H47 L48 C59 L60 | H40-A44 PolarHBondContact O-N 2.91Å; F41-A44 WeakPolarHBondContact O-CB 3.41Å; F41-A44 PolarHBondContact O-N 2.9Å; N42-A44 VanDerWaalsContact C-N 3.35Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 2.93Å; A44-H47 PolarHBondContact O-N 3.02Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.91Å; A44-C59 HydrophobicContact CB-CB 3.68Å; A44-L60 HydrophobicContact CB-CD1 4.32Å; A44-L60 HydrophobicContact CB-CD2 3.75Å; A44-L60 HydrophobicContact CB-CG 3.62Å |
| 45 | S | 96 | Very high | 95.8 | Very high | 11 Ų | 11 | 33 Ų | 33 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | F41 N42 A43 A49 | F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.37Å; N42-S45 WeakPolarHBondContact O-CB 3.43Å; N42-S45 PolarHBondContact O-N 2.89Å; A43-S45 VanDerWaalsContact C-N 3.32Å; A43-S45 PolarHBondContact O-N 3.14Å; S45-A49 PolarHBondContact O-N 2.9Å; S45-A49 VanDerWaalsContact O-N 3.11Å |
| 46 | A | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W22 L26 N42 A43 A44 L48 A49 L50 | W22-A46 HydrophobicContact CB-CB 4.46Å; W22-A46 HydrophobicContact CE3-CB 4.37Å; L26-A46 HydrophobicContact CD1-CB 4.28Å; L26-A46 HydrophobicContact CD2-CB 3.9Å; L26-A46 HydrophobicContact CG-CB 3.82Å; N42-A46 PolarHBondContact O-N 3.29Å; A43-A46 PolarHBondContact O-N 2.97Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 2.93Å; A46-L48 VanDerWaalsContact C-N 3.31Å; A46-L48 PolarHBondContact O-N 3.26Å; A46-A49 PolarHBondContact O-N 3.49Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.23Å; A46-L50 VanDerWaalsContact O-N 3.1Å |
| 47 | H | 96.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 174.3 | -77.9 | -59.7 | 0 | 0 | 0 | 112.6 | L26 A43 A44 L50 G51 Q52 M55 A56 | L26-H47 VanDerWaalsContact CD1-CE1 3.48Å; L26-H47 WeakPolarHBondContact CD1-CE1 3.13Å; A43-H47 PolarHBondContact O-CD2 3.22Å; A43-H47 VanDerWaalsContact O-CD2 3.22Å; A43-H47 PolarHBondContact O-N 3.1Å; A44-H47 PolarHBondContact O-N 3.02Å; H47-L50 CarbonylContact O-C 3.5Å; H47-L50 PolarHBondContact O-N 3.47Å; H47-G51 PolarHBondContact O-N 3.44Å; H47-G51 VanDerWaalsContact O-N 3.12Å; H47-Q52 HydrophobicContact CB-CB 4.31Å; H47-Q52 PolarHBondContact CE1-OE1 3.47Å; H47-Q52 PolarHBondContact ND1-OE1 2.86Å; H47-Q52 PolarHBondContact O-N 3.14Å; H47-M55 HydrophobicContact CB-CB 4.09Å; H47-M55 WeakPolarHBondContact ND1-CB 3.15Å; H47-A56 HydrophobicContact CB-CB 3.89Å |
| 48 | L | 95.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 174.1 | -69.4 | 175.2 | 0 | 0 | 0 | 112.7 | A44 A46 L50 G51 L53 A56 Q76 V80 L176 | A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.91Å; A46-L48 VanDerWaalsContact C-N 3.31Å; A46-L48 PolarHBondContact O-N 3.26Å; L48-L50 PolarHBondContact O-N 3.07Å; L48-G51 PolarHBondContact O-N 2.99Å; L48-L53 HydrophobicContact CD2-CD2 3.78Å; L48-A56 HydrophobicContact CD1-CB 4.47Å; L48-A56 HydrophobicContact CD2-CB 3.43Å; L48-A56 VanDerWaalsContact CD2-CB 3.43Å; L48-A56 HydrophobicContact CG-CB 3.56Å; L48-Q76 HydrophobicContact CD1-CG 4.18Å; L48-V80 HydrophobicContact CD1-CG2 3.72Å; L48-V80 HydrophobicContact CD2-CG1 4.28Å; L48-V80 HydrophobicContact CD2-CG2 3.46Å; L48-V80 VanDerWaalsContact CD2-CG2 3.46Å; L48-V80 HydrophobicContact CG-CG2 4.18Å; L48-L176 HydrophobicContact CD1-CD2 4.43Å |
| 49 | A | 94.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.8 | -27.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | W22 S45 A46 V179 | W22-A49 HydrophobicContact CD2-CB 3.47Å; W22-A49 VanDerWaalsContact CD2-CB 3.47Å; W22-A49 VanDerWaalsContact CE2-CB 3.49Å; W22-A49 HydrophobicContact CE3-CB 3.76Å; W22-A49 HydrophobicContact CG-CB 3.92Å; W22-A49 HydrophobicContact CH2-CB 4.12Å; W22-A49 HydrophobicContact CZ2-CB 3.85Å; W22-A49 HydrophobicContact CZ3-CB 4.05Å; S45-A49 PolarHBondContact O-N 2.9Å; S45-A49 VanDerWaalsContact O-N 3.11Å; A46-A49 PolarHBondContact O-N 3.49Å; A49-V179 HydrophobicContact CB-CG1 4.39Å |
| 50 | L | 95.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 32.2 Ų | 32.2 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.8 | 173.6 | -67.5 | 171.2 | 0 | 0 | 0 | 113.9 | W22 E23 L26 A46 H47 L48 Q52 | W22-L50 HydrophobicContact CB-CD1 4Å; W22-L50 HydrophobicContact CB-CD2 3.87Å; W22-L50 HydrophobicContact CB-CG 3.73Å; W22-L50 HydrophobicContact CG-CD2 4.35Å; W22-L50 HydrophobicContact CG-CG 4.36Å; E23-L50 HydrophobicContact CG-CD1 4.16Å; E23-L50 HydrophobicContact CG-CD2 4.28Å; L26-L50 HydrophobicContact CD1-CD1 3.7Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.23Å; A46-L50 VanDerWaalsContact O-N 3.1Å; H47-L50 CarbonylContact O-C 3.5Å; H47-L50 PolarHBondContact O-N 3.47Å; L48-L50 PolarHBondContact O-N 3.07Å; L50-Q52 VanDerWaalsContact C-N 3.27Å; L50-Q52 HydrophobicContact CB-CG 4.13Å; L50-Q52 PolarHBondContact O-N 3.18Å |
| 51 | G | 94.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 58% | 0.577 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 13.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H47 L48 L53 | H47-G51 PolarHBondContact O-N 3.44Å; H47-G51 VanDerWaalsContact O-N 3.12Å; L48-G51 PolarHBondContact O-N 2.99Å; G51-L53 PolarHBondContact O-N 3.23Å |
| 52 | Q | 96.2 | Very high | 96.5 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | trans | -89.9 | 77.1 | -178 | -64.3 | 174.1 | -7.6 | 0 | 0 | 110.8 | H47 L50 D54 M55 A56 | H47-Q52 HydrophobicContact CB-CB 4.31Å; H47-Q52 PolarHBondContact CE1-OE1 3.47Å; H47-Q52 PolarHBondContact ND1-OE1 2.86Å; H47-Q52 PolarHBondContact O-N 3.14Å; L50-Q52 VanDerWaalsContact C-N 3.27Å; L50-Q52 HydrophobicContact CB-CG 4.13Å; L50-Q52 PolarHBondContact O-N 3.18Å; Q52-D54 PolarHBondContact O-N 2.97Å; Q52-M55 HydrophobicContact CB-CB 4.12Å; Q52-M55 HydrophobicContact CB-CG 4.23Å; Q52-M55 PolarHBondContact O-N 2.89Å; Q52-A56 PolarHBondContact O-N 3.44Å | ||
| 53 | L | 96.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | -172.9 | -58.5 | -177.9 | 0 | 0 | 0 | 113.4 | L48 G51 M55 A56 L57 V80 Q83 M84 | L48-L53 HydrophobicContact CD2-CD2 3.78Å; G51-L53 PolarHBondContact O-N 3.23Å; L53-M55 PolarHBondContact O-N 3.42Å; L53-A56 PolarHBondContact O-N 3.01Å; L53-L57 WeakPolarHBondContact O-CB 3.07Å; L53-L57 PolarHBondContact O-N 3.07Å; L53-V80 HydrophobicContact CB-CG1 4.42Å; L53-V80 HydrophobicContact CD2-CG1 4.46Å; L53-Q83 HydrophobicContact CD1-CB 4.03Å; L53-Q83 VanDerWaalsContact CD2-OE1 3.3Å; L53-M84 HydrophobicContact CB-CG 3.98Å; L53-M84 HydrophobicContact CB-SD 4.04Å; L53-M84 HydrophobicContact CD1-CG 3.95Å |
| 54 | D | 97 | Very high | 96.5 | Very high | 103 Ų | 103 | 38.9 Ų | 38.9 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.6 | -40.4 | 179.4 | -62.8 | -81.1 | 0 | 0 | 0 | 113.1 | Q52 R58 M84 | Q52-D54 PolarHBondContact O-N 2.97Å; D54-R58 PolarHBondContact O-N 3.43Å; D54-M84 WeakPolarHBondContact OD1-CE 3.21Å |
| 55 | M | 96.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 176.3 | -68.2 | -61 | -49.2 | 0 | 0 | 110.6 | H47 Q52 L53 L57 R58 C59 | H47-M55 HydrophobicContact CB-CB 4.09Å; H47-M55 WeakPolarHBondContact ND1-CB 3.15Å; Q52-M55 HydrophobicContact CB-CB 4.12Å; Q52-M55 HydrophobicContact CB-CG 4.23Å; Q52-M55 PolarHBondContact O-N 2.89Å; L53-M55 PolarHBondContact O-N 3.42Å; M55-L57 VanDerWaalsContact C-N 3.32Å; M55-L57 PolarHBondContact O-N 2.96Å; M55-R58 PolarHBondContact O-N 3.33Å; M55-R58 PolarHBondContact SD-NH2 3.18Å; M55-C59 PolarHBondContact O-N 2.84Å; M55-C59 PolarHBondContact O-SG 3.31Å |
| 56 | A | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H47 L48 Q52 L53 R58 C59 L60 | H47-A56 HydrophobicContact CB-CB 3.89Å; L48-A56 HydrophobicContact CD1-CB 4.47Å; L48-A56 HydrophobicContact CD2-CB 3.43Å; L48-A56 VanDerWaalsContact CD2-CB 3.43Å; L48-A56 HydrophobicContact CG-CB 3.56Å; Q52-A56 PolarHBondContact O-N 3.44Å; L53-A56 PolarHBondContact O-N 3.01Å; A56-R58 PolarHBondContact O-N 2.96Å; A56-C59 PolarHBondContact O-N 2.89Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 2.96Å |
| 57 | L | 97.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 176.8 | -177.4 | 63 | 0 | 0 | 0 | 111.5 | L53 M55 C59 L60 D61 R77 V80 M81 M84 | L53-L57 WeakPolarHBondContact O-CB 3.07Å; L53-L57 PolarHBondContact O-N 3.07Å; M55-L57 VanDerWaalsContact C-N 3.32Å; M55-L57 PolarHBondContact O-N 2.96Å; L57-C59 VanDerWaalsContact C-N 3.31Å; L57-C59 PolarHBondContact O-N 3.24Å; L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.42Å; L57-D61 PolarHBondContact O-N 3.13Å; L57-R77 HydrophobicContact CD1-CG 3.57Å; L57-V80 HydrophobicContact CB-CG1 4.36Å; L57-M81 HydrophobicContact CD1-CE 3.84Å; L57-M81 HydrophobicContact CD1-CG 3.96Å; L57-M84 HydrophobicContact CD2-SD 4.1Å |
| 58 | R | 97 | Very high | 96.4 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 176.7 | -73.9 | -168.3 | -74.9 | -131.9 | -1.4 | 112.9 | D54 M55 A56 L60 D61 L62 | D54-R58 PolarHBondContact O-N 3.43Å; M55-R58 PolarHBondContact O-N 3.33Å; M55-R58 PolarHBondContact SD-NH2 3.18Å; A56-R58 PolarHBondContact O-N 2.96Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 2.98Å; R58-D61 PolarHBondContact O-N 3.37Å; R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 3.4Å; R58-L62 VanDerWaalsContact O-N 3.13Å |
| 59 | C | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 176 | -70 | 0 | 0 | 0 | 0 | 112.2 | A43 A44 M55 A56 L57 T63 | A43-C59 HydrophobicContact CB-CB 4.49Å; A44-C59 HydrophobicContact CB-CB 3.68Å; M55-C59 PolarHBondContact O-N 2.84Å; M55-C59 PolarHBondContact O-SG 3.31Å; A56-C59 PolarHBondContact O-N 2.89Å; L57-C59 VanDerWaalsContact C-N 3.31Å; L57-C59 PolarHBondContact O-N 3.24Å; C59-T63 PolarHBondContact O-N 3.29Å; C59-T63 PolarHBondContact O-OG1 3.41Å |
| 60 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -36 | 176 | -69.1 | 166.1 | 0 | 0 | 0 | 112.3 | F41 A44 A56 L57 R58 L62 T63 I64 Q76 R77 V80 | F41-L60 HydrophobicContact CD2-CD2 3.97Å; F41-L60 HydrophobicContact CE2-CD2 4.23Å; A44-L60 HydrophobicContact CB-CD1 4.32Å; A44-L60 HydrophobicContact CB-CD2 3.75Å; A44-L60 HydrophobicContact CB-CG 3.62Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 2.96Å; L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.42Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.96Å; L60-T63 VanDerWaalsContact O-CB 3.27Å; L60-T63 WeakPolarHBondContact O-CB 3.34Å; L60-T63 PolarHBondContact O-N 3.04Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-I64 PolarHBondContact O-N 3.1Å; L60-Q76 HydrophobicContact CD1-CB 4.37Å; L60-Q76 HydrophobicContact CD1-CG 4Å; L60-Q76 HydrophobicContact CD2-CB 4.15Å; L60-Q76 HydrophobicContact CD2-CG 4.13Å; L60-R77 HydrophobicContact CB-CB 4.02Å; L60-R77 HydrophobicContact CB-CG 3.97Å; L60-R77 HydrophobicContact CD1-CB 4.02Å; L60-R77 HydrophobicContact CD1-CG 4.34Å; L60-V80 HydrophobicContact CD1-CG2 3.98Å |
| 61 | D | 97.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 171.9 | -66.8 | -30.3 | 0 | 0 | 0 | 111.2 | L57 R58 T63 I64 A65 R77 | L57-D61 PolarHBondContact O-N 3.13Å; R58-D61 PolarHBondContact O-N 3.37Å; D61-T63 VanDerWaalsContact C-N 3.27Å; D61-T63 PolarHBondContact O-N 3.12Å; D61-I64 PolarHBondContact O-N 3.21Å; D61-A65 WeakPolarHBondContact O-CB 3.49Å; D61-A65 PolarHBondContact O-N 3.21Å; D61-R77 WeakPolarHBondContact OD1-CD 3.36Å; D61-R77 IonicContact OD1-CZ 3.61Å; D61-R77 IonicContact OD1-NE 3.69Å; D61-R77 IonicContact OD1-NH1 3.53Å; D61-R77 PolarHBondContact OD1-NH1 2.87Å |
| 62 | L | 96.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 174.4 | -66.8 | 174 | 0 | 0 | 0 | 112.4 | R58 L60 K66 | R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 3.4Å; R58-L62 VanDerWaalsContact O-N 3.13Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.96Å; L62-K66 VanDerWaalsContact O-CG 3.32Å; L62-K66 WeakPolarHBondContact O-CG 3.34Å; L62-K66 PolarHBondContact O-N 3.13Å |
| 63 | T | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 175.3 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | S37 H40 F41 C59 L60 D61 K66 D67 L70 A73 | S37-T63 WeakPolarHBondContact CB-O 3.11Å; S37-T63 WeakPolarHBondContact O-CG2 3.12Å; H40-T63 VanDerWaalsContact CB-OG1 3.23Å; H40-T63 WeakPolarHBondContact CB-OG1 3.21Å; F41-T63 HydrophobicContact CB-CG2 4.03Å; F41-T63 HydrophobicContact CD2-CG2 4.32Å; F41-T63 PolarHBondContact N-OG1 3.47Å; F41-T63 VanDerWaalsContact N-OG1 3.11Å; C59-T63 PolarHBondContact O-N 3.29Å; C59-T63 PolarHBondContact O-OG1 3.41Å; L60-T63 VanDerWaalsContact O-CB 3.27Å; L60-T63 WeakPolarHBondContact O-CB 3.34Å; L60-T63 PolarHBondContact O-N 3.04Å; L60-T63 VanDerWaalsContact O-N 3.12Å; D61-T63 VanDerWaalsContact C-N 3.27Å; D61-T63 PolarHBondContact O-N 3.12Å; T63-K66 PolarHBondContact O-N 3.32Å; T63-D67 PolarHBondContact O-N 3.19Å; T63-L70 HydrophobicContact CG2-CD2 3.7Å; T63-A73 HydrophobicContact CG2-CB 3.65Å |
| 64 | I | 96.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -37.9 | -178.2 | -69.4 | 163.4 | 0 | 0 | 0 | 110.9 | L60 D61 K66 D67 E68 A73 F74 R77 | L60-I64 PolarHBondContact O-N 3.1Å; D61-I64 PolarHBondContact O-N 3.21Å; I64-K66 PolarHBondContact O-N 3.11Å; I64-D67 CarbonylContact O-C 3.56Å; I64-D67 PolarHBondContact O-N 3.24Å; I64-E68 WeakPolarHBondContact O-CA 3.29Å; I64-E68 PolarHBondContact O-N 2.96Å; I64-A73 HydrophobicContact CD1-CB 4.33Å; I64-A73 HydrophobicContact CG1-CB 3.78Å; I64-F74 HydrophobicContact CB-CZ 4.49Å; I64-F74 HydrophobicContact CD1-CD1 3.8Å; I64-F74 HydrophobicContact CD1-CD2 4.38Å; I64-F74 HydrophobicContact CD1-CE1 3.93Å; I64-F74 HydrophobicContact CD1-CE2 4.48Å; I64-F74 HydrophobicContact CD1-CG 4.05Å; I64-F74 HydrophobicContact CD1-CZ 4.28Å; I64-F74 HydrophobicContact CG1-CD2 4.39Å; I64-F74 HydrophobicContact CG1-CE1 4.43Å; I64-F74 HydrophobicContact CG1-CE2 4.25Å; I64-F74 HydrophobicContact CG1-CZ 4.29Å; I64-F74 HydrophobicContact CG2-CE1 3.86Å; I64-F74 HydrophobicContact CG2-CE2 3.97Å; I64-F74 HydrophobicContact CG2-CZ 3.41Å; I64-F74 VanDerWaalsContact CG2-CZ 3.41Å; I64-R77 HydrophobicContact CD1-CB 4.4Å |
| 65 | A | 96.7 | Very high | 96.8 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.5 | -24 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D61 | D61-A65 WeakPolarHBondContact O-CB 3.49Å; D61-A65 PolarHBondContact O-N 3.21Å |
| 66 | K | 95.7 | Very high | 96.8 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 60% | 0.604 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -91.4 | -28.8 | 175.2 | -70.2 | -64.9 | -173.6 | -176.8 | 0 | 113.3 | L62 T63 I64 | L62-K66 VanDerWaalsContact O-CG 3.32Å; L62-K66 WeakPolarHBondContact O-CG 3.34Å; L62-K66 PolarHBondContact O-N 3.13Å; T63-K66 PolarHBondContact O-N 3.32Å; I64-K66 PolarHBondContact O-N 3.11Å |
| 67 | D | 96.1 | Very high | 96.8 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | trans | -143.8 | 92.5 | 178.7 | -173.4 | -10.1 | 0 | 0 | 0 | 110 | T63 I64 R69 L70 | T63-D67 PolarHBondContact O-N 3.19Å; I64-D67 CarbonylContact O-C 3.56Å; I64-D67 PolarHBondContact O-N 3.24Å; D67-R69 PolarHBondContact O-N 2.72Å; D67-R69 PolarHBondContact OD1-N 2.63Å; D67-R69 VanDerWaalsContact OD1-N 3.11Å; D67-L70 HydrophobicContact CB-CB 4.07Å; D67-L70 WeakPolarHBondContact O-CB 3.43Å; D67-L70 PolarHBondContact O-N 3.17Å; D67-L70 PolarHBondContact OD1-N 3.41Å | ||
| 68 | E | 95.6 | Very high | 96.8 | Very high | 142 Ų | 142 | 45.6 Ų | 45.6 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.8 | -177.9 | -63.9 | 178.8 | 177 | 0 | 0 | 113 | I64 F74 H100 | I64-E68 WeakPolarHBondContact O-CA 3.29Å; I64-E68 PolarHBondContact O-N 2.96Å; E68-F74 WeakPolarHBondContact O-CE2 3.41Å; E68-H100 PolarHBondContact O-CE1 3.33Å; E68-H100 PolarHBondContact O-NE2 3.25Å |
| 69 | R | 94.8 | Very high | 96.8 | Very high | 173 Ų | 173 | 38.8 Ų | 38.8 | 65% | 0.653 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 6.1 | -176.1 | -63.7 | 176.2 | 176.5 | -170.8 | 0.1 | 112.4 | D67 A71 | D67-R69 PolarHBondContact O-N 2.72Å; D67-R69 PolarHBondContact OD1-N 2.63Å; D67-R69 VanDerWaalsContact OD1-N 3.11Å; R69-A71 PolarHBondContact O-N 3.12Å |
| 70 | L | 96.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -79.1 | 84.3 | -176.5 | -170.5 | 58 | 0 | 0 | 0 | 111.9 | T63 D67 V72 A73 F74 Y109 F183 | T63-L70 HydrophobicContact CG2-CD2 3.7Å; D67-L70 HydrophobicContact CB-CB 4.07Å; D67-L70 WeakPolarHBondContact O-CB 3.43Å; D67-L70 PolarHBondContact O-N 3.17Å; D67-L70 PolarHBondContact OD1-N 3.41Å; L70-V72 VanDerWaalsContact C-N 3.26Å; L70-V72 HydrophobicContact CD1-CG1 3.71Å; L70-V72 HydrophobicContact CG-CG1 3.89Å; L70-V72 PolarHBondContact O-N 3.08Å; L70-V72 VanDerWaalsContact O-N 3.14Å; L70-A73 HydrophobicContact CB-CB 4.09Å; L70-A73 HydrophobicContact CD2-CB 3.84Å; L70-A73 HydrophobicContact CG-CB 3.83Å; L70-A73 WeakPolarHBondContact O-CB 3.28Å; L70-A73 PolarHBondContact O-N 3.25Å; L70-F74 PolarHBondContact O-N 3.06Å; L70-Y109 HydrophobicContact CD1-CD1 4.37Å; L70-Y109 HydrophobicContact CD1-CE1 3.65Å; L70-F183 HydrophobicContact CD1-CZ 4.3Å | ||
| 71 | A | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.3 | -37.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R69 A73 F74 F75 H100 M101 I107 Y109 L118 | R69-A71 PolarHBondContact O-N 3.12Å; A71-A73 VanDerWaalsContact C-N 3.27Å; A71-A73 PolarHBondContact O-N 3.15Å; A71-F74 PolarHBondContact O-N 3.44Å; A71-F75 WeakPolarHBondContact O-CB 3.47Å; A71-F75 PolarHBondContact O-N 3.21Å; A71-H100 HydrophobicContact CB-CB 3.75Å; A71-M101 HydrophobicContact CB-SD 4.44Å; A71-I107 HydrophobicContact CB-CD1 4.15Å; A71-Y109 WeakPolarHBondContact CB-OH 3.36Å; A71-Y109 PolarHBondContact N-OH 3.03Å; A71-L118 HydrophobicContact CB-CD2 4.09Å |
| 72 | V | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -28 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | F41 L70 Q76 Y109 L114 Y116 L118 V177 F183 | F41-V72 HydrophobicContact CE2-CG1 4.31Å; F41-V72 HydrophobicContact CE2-CG2 4.3Å; F41-V72 HydrophobicContact CZ-CG2 4.11Å; L70-V72 VanDerWaalsContact C-N 3.26Å; L70-V72 HydrophobicContact CD1-CG1 3.71Å; L70-V72 HydrophobicContact CG-CG1 3.89Å; L70-V72 PolarHBondContact O-N 3.08Å; L70-V72 VanDerWaalsContact O-N 3.14Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.39Å; V72-Y109 HydrophobicContact CB-CD2 4.2Å; V72-Y109 HydrophobicContact CB-CE1 4.24Å; V72-Y109 HydrophobicContact CB-CE2 3.59Å; V72-Y109 HydrophobicContact CG1-CD1 4.1Å; V72-Y109 HydrophobicContact CG1-CD2 4.38Å; V72-Y109 HydrophobicContact CG1-CE1 3.71Å; V72-Y109 HydrophobicContact CG1-CE2 3.97Å; V72-Y109 HydrophobicContact CG1-CG 4.43Å; V72-Y109 HydrophobicContact CG2-CE2 4.39Å; V72-Y109 PolarHBondContact N-OH 3.44Å; V72-L114 HydrophobicContact CG1-CD2 4.32Å; V72-L114 HydrophobicContact CG2-CD2 4.15Å; V72-Y116 HydrophobicContact CG2-CD1 4.16Å; V72-Y116 HydrophobicContact CG2-CE1 4.35Å; V72-L118 HydrophobicContact CB-CD2 4.37Å; V72-V177 HydrophobicContact CG2-CG2 3.72Å; V72-F183 HydrophobicContact CG1-CZ 4.13Å |
| 73 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.1 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | F41 T63 I64 L70 A71 Q76 R77 | F41-A73 HydrophobicContact CD2-CB 4.34Å; T63-A73 HydrophobicContact CG2-CB 3.65Å; I64-A73 HydrophobicContact CD1-CB 4.33Å; I64-A73 HydrophobicContact CG1-CB 3.78Å; L70-A73 HydrophobicContact CB-CB 4.09Å; L70-A73 HydrophobicContact CD2-CB 3.84Å; L70-A73 HydrophobicContact CG-CB 3.83Å; L70-A73 WeakPolarHBondContact O-CB 3.28Å; L70-A73 PolarHBondContact O-N 3.25Å; A71-A73 VanDerWaalsContact C-N 3.27Å; A71-A73 PolarHBondContact O-N 3.15Å; A73-Q76 PolarHBondContact O-N 3.24Å; A73-R77 VanDerWaalsContact O-CB 3.3Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.91Å |
| 74 | F | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.1 | -72.3 | -81.1 | 0 | 0 | 0 | 111.8 | I64 E68 L70 A71 Q76 R77 A78 D93 W96 A97 H100 | I64-F74 HydrophobicContact CB-CZ 4.49Å; I64-F74 HydrophobicContact CD1-CD1 3.8Å; I64-F74 HydrophobicContact CD1-CD2 4.38Å; I64-F74 HydrophobicContact CD1-CE1 3.93Å; I64-F74 HydrophobicContact CD1-CE2 4.48Å; I64-F74 HydrophobicContact CD1-CG 4.05Å; I64-F74 HydrophobicContact CD1-CZ 4.28Å; I64-F74 HydrophobicContact CG1-CD2 4.39Å; I64-F74 HydrophobicContact CG1-CE1 4.43Å; I64-F74 HydrophobicContact CG1-CE2 4.25Å; I64-F74 HydrophobicContact CG1-CZ 4.29Å; I64-F74 HydrophobicContact CG2-CE1 3.86Å; I64-F74 HydrophobicContact CG2-CE2 3.97Å; I64-F74 HydrophobicContact CG2-CZ 3.41Å; I64-F74 VanDerWaalsContact CG2-CZ 3.41Å; E68-F74 WeakPolarHBondContact O-CE2 3.41Å; L70-F74 PolarHBondContact O-N 3.06Å; A71-F74 PolarHBondContact O-N 3.44Å; F74-Q76 VanDerWaalsContact C-N 3.34Å; F74-Q76 PolarHBondContact O-N 3.36Å; F74-R77 PolarHBondContact O-N 3.29Å; F74-A78 WeakPolarHBondContact O-CB 3.34Å; F74-A78 PolarHBondContact O-N 3.19Å; F74-D93 HydrophobicContact CD1-CB 4.45Å; F74-W96 HydrophobicContact CD1-CB 3.66Å; F74-W96 HydrophobicContact CD1-CG 4.39Å; F74-W96 HydrophobicContact CE1-CB 3.77Å; F74-W96 HydrophobicContact CE1-CG 4.09Å; F74-W96 HydrophobicContact CG-CB 4.08Å; F74-W96 HydrophobicContact CZ-CB 4.27Å; F74-A97 HydrophobicContact CB-CB 3.82Å; F74-H100 AromaticContact CD2-CD2 3.62Å; F74-H100 AromaticContact CE2-CD2 3.39Å; F74-H100 WeakPolarHBondContact CE2-CD2 3.26Å; F74-H100 AromaticContact CE2-NE2 3.48Å; F74-H100 WeakPolarHBondContact CE2-NE2 3.49Å; F74-H100 AromaticContact CZ-NE2 3.84Å |
| 75 | F | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 176.2 | 173.7 | -99 | 0 | 0 | 0 | 112.3 | A71 A79 A97 L118 Q122 I123 N126 L175 V177 | A71-F75 WeakPolarHBondContact O-CB 3.47Å; A71-F75 PolarHBondContact O-N 3.21Å; F75-A79 PolarHBondContact O-N 3.14Å; F75-A97 HydrophobicContact CB-CB 4.44Å; F75-L118 HydrophobicContact CB-CD1 4.14Å; F75-L118 HydrophobicContact CB-CD2 4.23Å; F75-L118 HydrophobicContact CD1-CD1 3.78Å; F75-L118 HydrophobicContact CD2-CD1 3.78Å; F75-L118 HydrophobicContact CE1-CD1 4.11Å; F75-L118 HydrophobicContact CE2-CD1 4.09Å; F75-L118 HydrophobicContact CG-CD1 3.6Å; F75-L118 HydrophobicContact CZ-CD1 4.25Å; F75-Q122 HydrophobicContact CE2-CB 3.94Å; F75-Q122 HydrophobicContact CZ-CB 4.09Å; F75-I123 HydrophobicContact CD2-CG1 3.96Å; F75-N126 HydrophobicContact CE2-CB 4.42Å; F75-N126 WeakPolarHBondContact CE2-ND2 3.44Å; F75-L175 HydrophobicContact CZ-CB 4.04Å; F75-L175 VanDerWaalsContact CZ-O 3.3Å; F75-L175 WeakPolarHBondContact CZ-O 3.49Å; F75-V177 HydrophobicContact CD1-CG2 4.19Å; F75-V177 HydrophobicContact CE1-CG2 4.25Å |
| 76 | Q | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 177.7 | -168.6 | 67.9 | 14.1 | 0 | 0 | 111.2 | F41 L48 L60 V72 A73 F74 A79 V80 | F41-Q76 HydrophobicContact CE2-CB 3.96Å; F41-Q76 HydrophobicContact CE2-CG 4.3Å; F41-Q76 HydrophobicContact CZ-CB 4.36Å; F41-Q76 HydrophobicContact CZ-CG 4.42Å; L48-Q76 HydrophobicContact CD1-CG 4.18Å; L60-Q76 HydrophobicContact CD1-CB 4.37Å; L60-Q76 HydrophobicContact CD1-CG 4Å; L60-Q76 HydrophobicContact CD2-CB 4.15Å; L60-Q76 HydrophobicContact CD2-CG 4.13Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.39Å; A73-Q76 PolarHBondContact O-N 3.24Å; F74-Q76 VanDerWaalsContact C-N 3.34Å; F74-Q76 PolarHBondContact O-N 3.36Å; Q76-A79 PolarHBondContact O-N 3.12Å; Q76-V80 WeakPolarHBondContact O-CG2 3.29Å; Q76-V80 PolarHBondContact O-N 2.77Å |
| 77 | R | 97.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 13% | 0.125 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | -179.1 | -165.9 | 173.9 | 67 | 180 | -3 | 111.9 | L57 L60 D61 I64 A73 F74 A79 V80 M81 D93 | L57-R77 HydrophobicContact CD1-CG 3.57Å; L60-R77 HydrophobicContact CB-CB 4.02Å; L60-R77 HydrophobicContact CB-CG 3.97Å; L60-R77 HydrophobicContact CD1-CB 4.02Å; L60-R77 HydrophobicContact CD1-CG 4.34Å; D61-R77 WeakPolarHBondContact OD1-CD 3.36Å; D61-R77 IonicContact OD1-CZ 3.61Å; D61-R77 IonicContact OD1-NE 3.69Å; D61-R77 IonicContact OD1-NH1 3.53Å; D61-R77 PolarHBondContact OD1-NH1 2.87Å; I64-R77 HydrophobicContact CD1-CB 4.4Å; A73-R77 VanDerWaalsContact O-CB 3.3Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.91Å; F74-R77 PolarHBondContact O-N 3.29Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 3.48Å; R77-V80 PolarHBondContact O-N 3.04Å; R77-M81 HydrophobicContact CG-CE 3.85Å; R77-M81 HydrophobicContact CG-SD 4.37Å; R77-M81 WeakPolarHBondContact O-CG 3.36Å; R77-M81 PolarHBondContact O-N 3.24Å; R77-D93 WeakPolarHBondContact CB-OD2 3.27Å; R77-D93 WeakPolarHBondContact CG-OD2 3.45Å; R77-D93 IonicContact CZ-OD1 3.32Å; R77-D93 IonicContact CZ-OD2 3.5Å; R77-D93 IonicContact NE-OD1 2.8Å; R77-D93 IonicContact NE-OD2 3.56Å; R77-D93 PolarHBondContact NE-OD2 3.21Å; R77-D93 IonicContact NH2-OD1 2.66Å; R77-D93 PolarHBondContact NH2-OD1 3.49Å; R77-D93 IonicContact NH2-OD2 2.8Å; R77-D93 PolarHBondContact NH2-OD2 3.38Å |
| 78 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.9 | -46 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F74 V80 M81 L82 A90 D93 C94 | F74-A78 WeakPolarHBondContact O-CB 3.34Å; F74-A78 PolarHBondContact O-N 3.19Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 3.09Å; A78-M81 PolarHBondContact O-N 2.85Å; A78-L82 VanDerWaalsContact O-CG 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.33Å; A78-L82 PolarHBondContact O-N 3.4Å; A78-A90 HydrophobicContact CB-CB 4.4Å; A78-A90 WeakPolarHBondContact CB-O 3.34Å; A78-A90 WeakPolarHBondContact O-CB 3.44Å; A78-D93 HydrophobicContact CB-CB 3.72Å; A78-C94 VanDerWaalsContact CB-SG 3.55Å |
| 79 | A | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F75 Q76 R77 L82 Q83 P174 L175 L176 | F75-A79 PolarHBondContact O-N 3.14Å; Q76-A79 PolarHBondContact O-N 3.12Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 3.48Å; A79-L82 PolarHBondContact O-N 2.92Å; A79-Q83 WeakPolarHBondContact O-CG 3.37Å; A79-Q83 PolarHBondContact O-N 2.94Å; A79-P174 HydrophobicContact CB-CB 4.11Å; A79-L175 WeakPolarHBondContact CB-O 3.27Å; A79-L176 HydrophobicContact CB-CD2 4.27Å; A79-L176 HydrophobicContact CB-CG 3.85Å |
| 80 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 174.1 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | L48 L53 L57 L60 Q76 R77 A78 L82 Q83 M84 | L48-V80 HydrophobicContact CD1-CG2 3.72Å; L48-V80 HydrophobicContact CD2-CG1 4.28Å; L48-V80 HydrophobicContact CD2-CG2 3.46Å; L48-V80 VanDerWaalsContact CD2-CG2 3.46Å; L48-V80 HydrophobicContact CG-CG2 4.18Å; L53-V80 HydrophobicContact CB-CG1 4.42Å; L53-V80 HydrophobicContact CD2-CG1 4.46Å; L57-V80 HydrophobicContact CB-CG1 4.36Å; L60-V80 HydrophobicContact CD1-CG2 3.98Å; Q76-V80 WeakPolarHBondContact O-CG2 3.29Å; Q76-V80 PolarHBondContact O-N 2.77Å; R77-V80 PolarHBondContact O-N 3.04Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 3.09Å; V80-L82 VanDerWaalsContact C-N 3.3Å; V80-L82 PolarHBondContact O-N 2.94Å; V80-Q83 WeakPolarHBondContact O-CB 3.45Å; V80-Q83 PolarHBondContact O-N 2.85Å; V80-Q83 VanDerWaalsContact O-N 3.07Å; V80-M84 HydrophobicContact CG1-SD 4.28Å; V80-M84 WeakPolarHBondContact O-CG 3.48Å; V80-M84 PolarHBondContact O-N 3.35Å; V80-M84 VanDerWaalsContact O-N 3.12Å |
| 81 | M | 97.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 176.1 | -72.3 | 173.7 | 173.5 | 0 | 0 | 112.1 | L57 R77 A78 Q83 M84 D85 R86 E89 A90 | L57-M81 HydrophobicContact CD1-CE 3.84Å; L57-M81 HydrophobicContact CD1-CG 3.96Å; R77-M81 HydrophobicContact CG-CE 3.85Å; R77-M81 HydrophobicContact CG-SD 4.37Å; R77-M81 WeakPolarHBondContact O-CG 3.36Å; R77-M81 PolarHBondContact O-N 3.24Å; A78-M81 PolarHBondContact O-N 2.85Å; M81-Q83 VanDerWaalsContact C-N 3.3Å; M81-Q83 PolarHBondContact O-N 2.94Å; M81-M84 CarbonylContact O-C 3.49Å; M81-M84 PolarHBondContact O-N 3.38Å; M81-M84 VanDerWaalsContact O-N 3.08Å; M81-D85 PolarHBondContact O-N 2.98Å; M81-R86 HydrophobicContact CB-CB 4.21Å; M81-R86 PolarHBondContact O-N 3.5Å; M81-E89 HydrophobicContact CE-CB 4.28Å; M81-E89 HydrophobicContact SD-CB 3.73Å; M81-A90 HydrophobicContact CB-CB 3.79Å |
| 82 | L | 96 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -31.2 | 173.5 | -71.1 | 170.8 | 0 | 0 | 0 | 113.1 | A78 A79 V80 M84 A90 A129 A130 R133 P174 | A78-L82 VanDerWaalsContact O-CG 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.33Å; A78-L82 PolarHBondContact O-N 3.4Å; A79-L82 PolarHBondContact O-N 2.92Å; V80-L82 VanDerWaalsContact C-N 3.3Å; V80-L82 PolarHBondContact O-N 2.94Å; L82-M84 VanDerWaalsContact C-N 3.29Å; L82-A90 HydrophobicContact CD1-CB 4.41Å; L82-A90 HydrophobicContact CD2-CB 3.68Å; L82-A90 HydrophobicContact CG-CB 3.58Å; L82-A129 HydrophobicContact CD1-CB 4.29Å; L82-A130 HydrophobicContact CD2-CB 3.73Å; L82-R133 PolarHBondContact O-NE 3.32Å; L82-P174 HydrophobicContact CB-CB 4.06Å; L82-P174 HydrophobicContact CB-CG 4.04Å; L82-P174 HydrophobicContact CD1-CB 3.8Å |
| 83 | Q | 94.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 35 Ų | 35 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.5 | -22.2 | 172.4 | -70 | 178.7 | -16.3 | 0 | 0 | 112.8 | L53 A79 V80 M81 P174 | L53-Q83 HydrophobicContact CD1-CB 4.03Å; L53-Q83 VanDerWaalsContact CD2-OE1 3.3Å; A79-Q83 WeakPolarHBondContact O-CG 3.37Å; A79-Q83 PolarHBondContact O-N 2.94Å; V80-Q83 WeakPolarHBondContact O-CB 3.45Å; V80-Q83 PolarHBondContact O-N 2.85Å; V80-Q83 VanDerWaalsContact O-N 3.07Å; M81-Q83 VanDerWaalsContact C-N 3.3Å; M81-Q83 PolarHBondContact O-N 2.94Å; Q83-P174 HydrophobicContact CG-CG 4.02Å |
| 84 | M | 95.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 35 Ų | 35 | 23% | 0.232 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 12.7 | 176.4 | -61.3 | 179.3 | 77.6 | 0 | 0 | 113 | L53 D54 L57 V80 M81 L82 R86 | L53-M84 HydrophobicContact CB-CG 3.98Å; L53-M84 HydrophobicContact CB-SD 4.04Å; L53-M84 HydrophobicContact CD1-CG 3.95Å; D54-M84 WeakPolarHBondContact OD1-CE 3.21Å; L57-M84 HydrophobicContact CD2-SD 4.1Å; V80-M84 HydrophobicContact CG1-SD 4.28Å; V80-M84 WeakPolarHBondContact O-CG 3.48Å; V80-M84 PolarHBondContact O-N 3.35Å; V80-M84 VanDerWaalsContact O-N 3.12Å; M81-M84 CarbonylContact O-C 3.49Å; M81-M84 PolarHBondContact O-N 3.38Å; M81-M84 VanDerWaalsContact O-N 3.08Å; L82-M84 VanDerWaalsContact C-N 3.29Å; M84-R86 HydrophobicContact CB-CG 4.49Å; M84-R86 PolarHBondContact O-N 3.36Å; M84-R86 VanDerWaalsContact O-N 3.15Å |
| 85 | D | 93.9 | Very high | 96.5 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 71% | 0.706 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 17.8 | -176.3 | -62.4 | -46.4 | 0 | 0 | 0 | 115.6 | M81 S87 | M81-D85 PolarHBondContact O-N 2.98Å; D85-S87 VanDerWaalsContact C-N 3.35Å; D85-S87 PolarHBondContact O-N 3.14Å; D85-S87 VanDerWaalsContact O-N 3.14Å |
| 86 | R | 96 | Very high | 96.4 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | trans | -89.6 | 66.3 | 177.2 | -68.2 | 172.2 | 67.5 | -179.2 | 1.7 | 111.5 | M81 M84 E88 E89 A90 | M81-R86 HydrophobicContact CB-CB 4.21Å; M81-R86 PolarHBondContact O-N 3.5Å; M84-R86 HydrophobicContact CB-CG 4.49Å; M84-R86 PolarHBondContact O-N 3.36Å; M84-R86 VanDerWaalsContact O-N 3.15Å; R86-E88 PolarHBondContact O-N 3.16Å; R86-E89 IonicContact CZ-OE1 3.34Å; R86-E89 IonicContact CZ-OE2 3.53Å; R86-E89 IonicContact NE-OE1 3.48Å; R86-E89 PolarHBondContact NE-OE1 3.27Å; R86-E89 IonicContact NE-OE2 3.53Å; R86-E89 IonicContact NH2-OE1 3.34Å; R86-E89 PolarHBondContact NH2-OE1 3.03Å; R86-E89 IonicContact NH2-OE2 2.82Å; R86-E89 PolarHBondContact NH2-OE2 3.08Å; R86-A90 WeakPolarHBondContact O-CB 3.36Å; R86-A90 PolarHBondContact O-N 3Å; R86-A90 VanDerWaalsContact O-N 3.12Å | ||
| 87 | S | 95.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.7 | -35.2 | -167.3 | -55.8 | 0 | 0 | 0 | 0 | 114.8 | D85 A90 L91 R133 | D85-S87 VanDerWaalsContact C-N 3.35Å; D85-S87 PolarHBondContact O-N 3.14Å; D85-S87 VanDerWaalsContact O-N 3.14Å; S87-A90 PolarHBondContact O-N 3.03Å; S87-L91 WeakPolarHBondContact O-CB 3.46Å; S87-L91 PolarHBondContact O-N 3.43Å; S87-R133 WeakPolarHBondContact OG-CB 3.48Å; S87-R133 WeakPolarHBondContact OG-CD 3.39Å |
| 88 | E | 95.3 | Very high | 96.3 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 67% | 0.673 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -68.8 | -42.2 | -179.3 | -64.6 | -176.4 | 171.7 | 0 | 0 | 112.4 | R86 L91 S92 M134 | R86-E88 PolarHBondContact O-N 3.16Å; E88-L91 PolarHBondContact O-N 3.42Å; E88-S92 PolarHBondContact O-N 3.09Å; E88-S92 VanDerWaalsContact O-N 3.14Å; E88-S92 PolarHBondContact O-OG 3.42Å; E88-S92 VanDerWaalsContact O-OG 3.08Å; E88-M134 HydrophobicContact CG-CE 3.96Å; E88-M134 HydrophobicContact CG-SD 4.46Å |
| 89 | E | 96.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.6 | -63.6 | -178.2 | -105.8 | 0 | 0 | 110.9 | M81 R86 L91 S92 D93 | M81-E89 HydrophobicContact CE-CB 4.28Å; M81-E89 HydrophobicContact SD-CB 3.73Å; R86-E89 IonicContact CZ-OE1 3.34Å; R86-E89 IonicContact CZ-OE2 3.53Å; R86-E89 IonicContact NE-OE1 3.48Å; R86-E89 PolarHBondContact NE-OE1 3.27Å; R86-E89 IonicContact NE-OE2 3.53Å; R86-E89 IonicContact NH2-OE1 3.34Å; R86-E89 PolarHBondContact NH2-OE1 3.03Å; R86-E89 IonicContact NH2-OE2 2.82Å; R86-E89 PolarHBondContact NH2-OE2 3.08Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 2.81Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 3.19Å; E89-S92 VanDerWaalsContact O-N 3.16Å; E89-D93 PolarHBondContact O-N 3.32Å |
| 90 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A78 M81 L82 R86 S87 S92 D93 C94 | A78-A90 HydrophobicContact CB-CB 4.4Å; A78-A90 WeakPolarHBondContact CB-O 3.34Å; A78-A90 WeakPolarHBondContact O-CB 3.44Å; M81-A90 HydrophobicContact CB-CB 3.79Å; L82-A90 HydrophobicContact CD1-CB 4.41Å; L82-A90 HydrophobicContact CD2-CB 3.68Å; L82-A90 HydrophobicContact CG-CB 3.58Å; R86-A90 WeakPolarHBondContact O-CB 3.36Å; R86-A90 PolarHBondContact O-N 3Å; R86-A90 VanDerWaalsContact O-N 3.12Å; S87-A90 PolarHBondContact O-N 3.03Å; A90-S92 VanDerWaalsContact C-N 3.33Å; A90-D93 PolarHBondContact O-N 3.46Å; A90-C94 PolarHBondContact O-N 3.14Å; A90-C94 PolarHBondContact O-SG 3.08Å |
| 91 | L | 96.9 | Very high | 95.9 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.8 | 179.3 | 62.8 | 0 | 0 | 0 | 110.9 | S87 E88 E89 D93 C94 I95 T127 A130 Y131 M134 | S87-L91 WeakPolarHBondContact O-CB 3.46Å; S87-L91 PolarHBondContact O-N 3.43Å; E88-L91 PolarHBondContact O-N 3.42Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 2.81Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.04Å; L91-C94 PolarHBondContact O-N 3.46Å; L91-I95 HydrophobicContact CG-CD1 4.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.09Å; L91-T127 HydrophobicContact CD1-CG2 3.63Å; L91-A130 HydrophobicContact CB-CB 4.19Å; L91-A130 HydrophobicContact CD1-CB 4.41Å; L91-Y131 HydrophobicContact CD1-CE1 4.13Å; L91-Y131 HydrophobicContact CD1-CE2 4.18Å; L91-Y131 HydrophobicContact CD2-CD1 4.38Å; L91-Y131 HydrophobicContact CD2-CE1 3.7Å; L91-M134 HydrophobicContact CD2-SD 4.22Å |
| 92 | S | 97.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | E88 E89 A90 C94 I95 W96 | E88-S92 PolarHBondContact O-N 3.09Å; E88-S92 VanDerWaalsContact O-N 3.14Å; E88-S92 PolarHBondContact O-OG 3.42Å; E88-S92 VanDerWaalsContact O-OG 3.08Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 3.19Å; E89-S92 VanDerWaalsContact O-N 3.16Å; A90-S92 VanDerWaalsContact C-N 3.33Å; S92-C94 PolarHBondContact O-N 2.99Å; S92-I95 PolarHBondContact O-N 3.41Å; S92-W96 PolarHBondContact O-N 3.26Å |
| 93 | D | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -35.3 | 175.8 | -86.1 | -0.9 | 0 | 0 | 0 | 113.4 | F74 R77 A78 E89 A90 L91 I95 W96 A97 | F74-D93 HydrophobicContact CD1-CB 4.45Å; R77-D93 WeakPolarHBondContact CB-OD2 3.27Å; R77-D93 WeakPolarHBondContact CG-OD2 3.45Å; R77-D93 IonicContact CZ-OD1 3.32Å; R77-D93 IonicContact CZ-OD2 3.5Å; R77-D93 IonicContact NE-OD1 2.8Å; R77-D93 IonicContact NE-OD2 3.56Å; R77-D93 PolarHBondContact NE-OD2 3.21Å; R77-D93 IonicContact NH2-OD1 2.66Å; R77-D93 PolarHBondContact NH2-OD1 3.49Å; R77-D93 IonicContact NH2-OD2 2.8Å; R77-D93 PolarHBondContact NH2-OD2 3.38Å; A78-D93 HydrophobicContact CB-CB 3.72Å; E89-D93 PolarHBondContact O-N 3.32Å; A90-D93 PolarHBondContact O-N 3.46Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-D93 PolarHBondContact O-N 3.04Å; D93-I95 VanDerWaalsContact C-N 3.31Å; D93-W96 PolarHBondContact O-N 2.96Å; D93-A97 WeakPolarHBondContact O-CB 3.48Å; D93-A97 PolarHBondContact O-N 2.91Å |
| 94 | C | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 174.3 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | A78 A90 L91 S92 A97 Q98 I123 T127 | A78-C94 VanDerWaalsContact CB-SG 3.55Å; A90-C94 PolarHBondContact O-N 3.14Å; A90-C94 PolarHBondContact O-SG 3.08Å; L91-C94 PolarHBondContact O-N 3.46Å; S92-C94 PolarHBondContact O-N 2.99Å; C94-A97 PolarHBondContact O-N 3.25Å; C94-Q98 WeakPolarHBondContact O-CB 3.36Å; C94-Q98 PolarHBondContact O-N 3.31Å; C94-I123 HydrophobicContact CB-CG2 4.37Å; C94-I123 WeakPolarHBondContact O-CG2 3.5Å; C94-T127 WeakPolarHBondContact CB-OG1 3.3Å |
| 95 | I | 95.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 41% | 0.41 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 175 | -65.8 | 164.6 | 0 | 0 | 0 | 109.8 | L91 S92 D93 A97 Q98 E99 | L91-I95 HydrophobicContact CG-CD1 4.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.09Å; S92-I95 PolarHBondContact O-N 3.41Å; D93-I95 VanDerWaalsContact C-N 3.31Å; I95-A97 VanDerWaalsContact C-N 3.35Å; I95-A97 PolarHBondContact O-N 2.88Å; I95-Q98 WeakPolarHBondContact O-CB 3.49Å; I95-Q98 PolarHBondContact O-N 3.37Å; I95-Q98 VanDerWaalsContact O-N 3.13Å; I95-E99 WeakPolarHBondContact O-CG 3.48Å; I95-E99 PolarHBondContact O-N 2.98Å |
| 96 | W | 97.1 | Very high | 94.9 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 175.2 | -78.3 | 114.9 | 0 | 0 | 0 | 112.6 | F74 S92 D93 Q98 E99 H100 | F74-W96 HydrophobicContact CD1-CB 3.66Å; F74-W96 HydrophobicContact CD1-CG 4.39Å; F74-W96 HydrophobicContact CE1-CB 3.77Å; F74-W96 HydrophobicContact CE1-CG 4.09Å; F74-W96 HydrophobicContact CG-CB 4.08Å; F74-W96 HydrophobicContact CZ-CB 4.27Å; S92-W96 PolarHBondContact O-N 3.26Å; D93-W96 PolarHBondContact O-N 2.96Å; W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.13Å; W96-E99 PolarHBondContact O-N 2.89Å; W96-H100 AromaticContact CE3-NE2 3.67Å; W96-H100 WeakPolarHBondContact O-CB 3.46Å; W96-H100 PolarHBondContact O-CD2 3.4Å; W96-H100 PolarHBondContact O-N 2.99Å |
| 97 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | F74 F75 D93 C94 I95 H100 M101 I123 | F74-A97 HydrophobicContact CB-CB 3.82Å; F75-A97 HydrophobicContact CB-CB 4.44Å; D93-A97 WeakPolarHBondContact O-CB 3.48Å; D93-A97 PolarHBondContact O-N 2.91Å; C94-A97 PolarHBondContact O-N 3.25Å; I95-A97 VanDerWaalsContact C-N 3.35Å; I95-A97 PolarHBondContact O-N 2.88Å; A97-H100 PolarHBondContact O-N 2.88Å; A97-M101 VanDerWaalsContact O-CG 3.28Å; A97-M101 WeakPolarHBondContact O-CG 3.43Å; A97-M101 PolarHBondContact O-N 3.02Å; A97-M101 VanDerWaalsContact O-N 3.09Å; A97-I123 HydrophobicContact CB-CD1 4.08Å; A97-I123 HydrophobicContact CB-CG1 4.45Å; A97-I123 HydrophobicContact CB-CG2 4.17Å |
| 98 | Q | 95.1 | Very high | 94.8 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.8 | 159.1 | 167.9 | -12.3 | 0 | 0 | 112.5 | C94 I95 W96 H100 M101 Y120 I123 | C94-Q98 WeakPolarHBondContact O-CB 3.36Å; C94-Q98 PolarHBondContact O-N 3.31Å; I95-Q98 WeakPolarHBondContact O-CB 3.49Å; I95-Q98 PolarHBondContact O-N 3.37Å; I95-Q98 VanDerWaalsContact O-N 3.13Å; W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.13Å; Q98-H100 VanDerWaalsContact C-N 3.31Å; Q98-H100 PolarHBondContact O-N 2.98Å; Q98-M101 WeakPolarHBondContact O-CB 3.5Å; Q98-M101 PolarHBondContact O-N 2.85Å; Q98-M101 VanDerWaalsContact O-N 3.08Å; Q98-Y120 HydrophobicContact CB-CE2 4.2Å; Q98-Y120 HydrophobicContact CG-CE2 3.79Å; Q98-Y120 PolarHBondContact NE2-OH 2.94Å; Q98-Y120 PolarHBondContact OE1-OH 2.88Å; Q98-I123 HydrophobicContact CB-CG2 4.25Å |
| 99 | E | 95.9 | Very high | 94.9 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -42 | 176 | -71.6 | -59.5 | 142.2 | 0 | 0 | 111.5 | I95 W96 M101 R102 | I95-E99 WeakPolarHBondContact O-CG 3.48Å; I95-E99 PolarHBondContact O-N 2.98Å; W96-E99 PolarHBondContact O-N 2.89Å; E99-M101 PolarHBondContact O-N 2.98Å; E99-R102 PolarHBondContact O-N 3.31Å |
| 100 | H | 95.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.3 | -13.9 | 177.2 | -65.2 | -46.8 | 0 | 0 | 0 | 114 | E68 A71 F74 W96 A97 Q98 | E68-H100 PolarHBondContact O-CE1 3.33Å; E68-H100 PolarHBondContact O-NE2 3.25Å; A71-H100 HydrophobicContact CB-CB 3.75Å; F74-H100 AromaticContact CD2-CD2 3.62Å; F74-H100 AromaticContact CE2-CD2 3.39Å; F74-H100 WeakPolarHBondContact CE2-CD2 3.26Å; F74-H100 AromaticContact CE2-NE2 3.48Å; F74-H100 WeakPolarHBondContact CE2-NE2 3.49Å; F74-H100 AromaticContact CZ-NE2 3.84Å; W96-H100 AromaticContact CE3-NE2 3.67Å; W96-H100 WeakPolarHBondContact O-CB 3.46Å; W96-H100 PolarHBondContact O-CD2 3.4Å; W96-H100 PolarHBondContact O-N 2.99Å; A97-H100 PolarHBondContact O-N 2.88Å; Q98-H100 VanDerWaalsContact C-N 3.31Å; Q98-H100 PolarHBondContact O-N 2.98Å |
| 101 | M | 92.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71 | -20.9 | 166.4 | -63.4 | -77.4 | -67 | 0 | 0 | 112.3 | A71 A97 Q98 E99 G103 N104 I107 L118 I123 | A71-M101 HydrophobicContact CB-SD 4.44Å; A97-M101 VanDerWaalsContact O-CG 3.28Å; A97-M101 WeakPolarHBondContact O-CG 3.43Å; A97-M101 PolarHBondContact O-N 3.02Å; A97-M101 VanDerWaalsContact O-N 3.09Å; Q98-M101 WeakPolarHBondContact O-CB 3.5Å; Q98-M101 PolarHBondContact O-N 2.85Å; Q98-M101 VanDerWaalsContact O-N 3.08Å; E99-M101 PolarHBondContact O-N 2.98Å; M101-G103 VanDerWaalsContact C-N 3.25Å; M101-G103 PolarHBondContact O-N 3.43Å; M101-N104 VanDerWaalsContact CE-O 3.29Å; M101-N104 WeakPolarHBondContact CE-O 3.46Å; M101-N104 VanDerWaalsContact O-CB 3.26Å; M101-N104 WeakPolarHBondContact O-CB 3.35Å; M101-N104 PolarHBondContact O-N 3.06Å; M101-N104 PolarHBondContact O-ND2 3.4Å; M101-I107 HydrophobicContact CE-CD1 4.49Å; M101-I107 HydrophobicContact CE-CG1 4.04Å; M101-I107 HydrophobicContact CG-CD1 4.42Å; M101-I107 HydrophobicContact SD-CB 4.29Å; M101-I107 HydrophobicContact SD-CD1 3.43Å; M101-I107 WeakPolarHBondContact SD-CD1 3.42Å; M101-I107 HydrophobicContact SD-CG1 3.59Å; M101-I107 VanDerWaalsContact SD-CG1 3.59Å; M101-L118 HydrophobicContact SD-CD2 3.88Å; M101-L118 HydrophobicContact SD-CG 4.11Å; M101-I123 HydrophobicContact CG-CD1 3.43Å; M101-I123 VanDerWaalsContact CG-CD1 3.43Å; M101-I123 HydrophobicContact SD-CD1 3.87Å |
| 102 | R | 92.7 | Very high | 94.2 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.6 | 176.3 | -57.6 | 176.4 | 178 | -177.4 | -5.3 | 113.6 | E99 N104 | E99-R102 PolarHBondContact O-N 3.31Å; R102-N104 VanDerWaalsContact C-N 3.25Å; R102-N104 PolarHBondContact O-N 3.42Å |
| 103 | G | 89 | Confident | 94 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 85% | 0.845 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 3.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | M101 | M101-G103 VanDerWaalsContact C-N 3.25Å; M101-G103 PolarHBondContact O-N 3.43Å |
| 104 | N | 90.9 | Very high | 94 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -76.5 | 137.6 | 174.2 | -63.1 | -64.3 | 0 | 0 | 0 | 111.1 | M101 R102 V106 | M101-N104 VanDerWaalsContact CE-O 3.29Å; M101-N104 WeakPolarHBondContact CE-O 3.46Å; M101-N104 VanDerWaalsContact O-CB 3.26Å; M101-N104 WeakPolarHBondContact O-CB 3.35Å; M101-N104 PolarHBondContact O-N 3.06Å; M101-N104 PolarHBondContact O-ND2 3.4Å; R102-N104 VanDerWaalsContact C-N 3.25Å; R102-N104 PolarHBondContact O-N 3.42Å; N104-V106 VanDerWaalsContact C-N 3.3Å; N104-V106 PolarHBondContact O-N 2.74Å | ||
| 105 | A | 90.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -70 | -26.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y120 | A105-Y120 WeakPolarHBondContact O-CB 3.35Å; A105-Y120 PolarHBondContact O-N 3.41Å |
| 106 | V | 93 | Very high | 93.8 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 138.2 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | N104 K117 L118 Y119 | N104-V106 VanDerWaalsContact C-N 3.3Å; N104-V106 PolarHBondContact O-N 2.74Å; V106-K117 HydrophobicContact CG2-CB 3.99Å; V106-L118 CarbonylContact C-O 3.54Å; V106-L118 WeakPolarHBondContact CA-O 3.41Å; V106-L118 WeakPolarHBondContact CG2-O 3.48Å; V106-Y119 HydrophobicContact CB-CD1 3.84Å; V106-Y119 HydrophobicContact CB-CE1 4.04Å; V106-Y119 HydrophobicContact CG2-CD1 3.69Å; V106-Y119 HydrophobicContact CG2-CD2 4.47Å; V106-Y119 HydrophobicContact CG2-CE1 3.65Å; V106-Y119 HydrophobicContact CG2-CE2 4.43Å; V106-Y119 HydrophobicContact CG2-CG 4.11Å |
| 107 | I | 94.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.5 | 165.2 | -62.2 | 178.9 | 0 | 0 | 0 | 108.8 | A71 M101 Y109 K117 L118 | A71-I107 HydrophobicContact CB-CD1 4.15Å; M101-I107 HydrophobicContact CE-CD1 4.49Å; M101-I107 HydrophobicContact CE-CG1 4.04Å; M101-I107 HydrophobicContact CG-CD1 4.42Å; M101-I107 HydrophobicContact SD-CB 4.29Å; M101-I107 HydrophobicContact SD-CD1 3.43Å; M101-I107 WeakPolarHBondContact SD-CD1 3.42Å; M101-I107 HydrophobicContact SD-CG1 3.59Å; M101-I107 VanDerWaalsContact SD-CG1 3.59Å; I107-Y109 HydrophobicContact CB-CD2 4.47Å; I107-Y109 HydrophobicContact CB-CE2 3.88Å; I107-Y109 HydrophobicContact CG2-CD1 4.4Å; I107-Y109 HydrophobicContact CG2-CD2 3.92Å; I107-Y109 HydrophobicContact CG2-CE1 4Å; I107-Y109 HydrophobicContact CG2-CE2 3.49Å; I107-Y109 VanDerWaalsContact CG2-CE2 3.49Å; I107-Y109 HydrophobicContact CG2-CG 4.35Å; I107-K117 WeakPolarHBondContact O-CA 3.49Å; I107-L118 PolarHBondContact N-O 3.24Å; I107-L118 PolarHBondContact O-N 2.92Å |
| 108 | D | 95.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 107.9 | 173.8 | -167.5 | -14.9 | 0 | 0 | 0 | 110.7 | R110 K117 | D108-R110 PolarHBondContact O-N 3.07Å; D108-R110 WeakPolarHBondContact OD1-CB 3.2Å; D108-R110 WeakPolarHBondContact OD1-CD 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.43Å; D108-R110 PolarHBondContact OD1-N 2.89Å; D108-K117 HydrophobicContact CB-CG 4.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.42Å |
| 109 | Y | 95.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 70.7 Ų | 70.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -81.9 | 3.7 | -178.4 | -72.6 | -82.4 | 0 | 0 | 0 | 114.1 | L70 A71 V72 I107 Q111 L112 G113 L114 Y116 L118 F183 | L70-Y109 HydrophobicContact CD1-CD1 4.37Å; L70-Y109 HydrophobicContact CD1-CE1 3.65Å; A71-Y109 WeakPolarHBondContact CB-OH 3.36Å; A71-Y109 PolarHBondContact N-OH 3.03Å; V72-Y109 HydrophobicContact CB-CD2 4.2Å; V72-Y109 HydrophobicContact CB-CE1 4.24Å; V72-Y109 HydrophobicContact CB-CE2 3.59Å; V72-Y109 HydrophobicContact CG1-CD1 4.1Å; V72-Y109 HydrophobicContact CG1-CD2 4.38Å; V72-Y109 HydrophobicContact CG1-CE1 3.71Å; V72-Y109 HydrophobicContact CG1-CE2 3.97Å; V72-Y109 HydrophobicContact CG1-CG 4.43Å; V72-Y109 HydrophobicContact CG2-CE2 4.39Å; V72-Y109 PolarHBondContact N-OH 3.44Å; I107-Y109 HydrophobicContact CB-CD2 4.47Å; I107-Y109 HydrophobicContact CB-CE2 3.88Å; I107-Y109 HydrophobicContact CG2-CD1 4.4Å; I107-Y109 HydrophobicContact CG2-CD2 3.92Å; I107-Y109 HydrophobicContact CG2-CE1 4Å; I107-Y109 HydrophobicContact CG2-CE2 3.49Å; I107-Y109 VanDerWaalsContact CG2-CE2 3.49Å; I107-Y109 HydrophobicContact CG2-CG 4.35Å; Y109-Q111 PolarHBondContact O-N 3.24Å; Y109-L112 HydrophobicContact CD1-CD1 4.05Å; Y109-L112 HydrophobicContact CE1-CD1 4.37Å; Y109-L112 PolarHBondContact O-N 3.42Å; Y109-G113 PolarHBondContact O-N 3.35Å; Y109-L114 CarbonylContact C-O 3.59Å; Y109-L114 HydrophobicContact CG-CD2 4.23Å; Y109-L114 PolarHBondContact O-N 3.13Å; Y109-L114 VanDerWaalsContact O-N 3.09Å; Y109-Y116 WeakPolarHBondContact CB-O 3.47Å; Y109-Y116 PolarHBondContact N-O 3.23Å; Y109-L118 HydrophobicContact CD2-CB 4.34Å; Y109-L118 HydrophobicContact CE2-CB 3.81Å; Y109-L118 HydrophobicContact CE2-CD2 4.29Å; Y109-F183 HydrophobicContact CD1-CE1 4.45Å; Y109-F183 HydrophobicContact CD1-CZ 4.42Å |
| 110 | R | 94.1 | Very high | 93.4 | Very high | 163 Ų | 163 | 67.9 Ų | 67.9 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56.8 | -35 | 179.3 | -76.9 | 172.3 | -178.2 | -159.3 | 0 | 112.6 | D108 L112 G113 L114 | D108-R110 PolarHBondContact O-N 3.07Å; D108-R110 WeakPolarHBondContact OD1-CB 3.2Å; D108-R110 WeakPolarHBondContact OD1-CD 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.43Å; D108-R110 PolarHBondContact OD1-N 2.89Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 3.35Å; R110-G113 PolarHBondContact O-N 2.94Å; R110-G113 VanDerWaalsContact O-N 3.09Å; R110-L114 VanDerWaalsContact CA-O 3.29Å; R110-L114 WeakPolarHBondContact CA-O 3.48Å; R110-L114 PolarHBondContact N-O 3.01Å |
| 111 | Q | 90.2 | Very high | 93.2 | Very high | 170 Ų | 170 | 67.6 Ų | 67.6 | 79% | 0.794 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -64.5 | -32.8 | 179 | -65.6 | 178.7 | -18.8 | 0 | 0 | 112.8 | Y109 G113 | Y109-Q111 PolarHBondContact O-N 3.24Å; Q111-G113 VanDerWaalsContact C-N 3.29Å |
| 112 | L | 92.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -86.9 | -2.4 | 176.5 | -63.1 | -178.3 | 0 | 0 | 0 | 112.7 | Y109 R110 F183 | Y109-L112 HydrophobicContact CD1-CD1 4.05Å; Y109-L112 HydrophobicContact CE1-CD1 4.37Å; Y109-L112 PolarHBondContact O-N 3.42Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 3.35Å; L112-F183 HydrophobicContact CB-CD1 4.25Å; L112-F183 HydrophobicContact CB-CE1 3.85Å; L112-F183 WeakPolarHBondContact O-CD1 3.47Å |
| 113 | G | 93.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 3.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y109 R110 Q111 R184 | Y109-G113 PolarHBondContact O-N 3.35Å; R110-G113 PolarHBondContact O-N 2.94Å; R110-G113 VanDerWaalsContact O-N 3.09Å; Q111-G113 VanDerWaalsContact C-N 3.29Å; G113-R184 WeakPolarHBondContact CA-O 3.46Å; G113-R184 WeakPolarHBondContact O-CB 3.23Å; G113-R184 PolarHBondContact O-N 3.17Å |
| 114 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 122.1 | 175.2 | 170.6 | 69.9 | 0 | 0 | 0 | 109.8 | F41 V72 Y109 R110 Y116 S181 F183 | F41-L114 HydrophobicContact CE1-CD2 4.44Å; V72-L114 HydrophobicContact CG1-CD2 4.32Å; V72-L114 HydrophobicContact CG2-CD2 4.15Å; Y109-L114 CarbonylContact C-O 3.59Å; Y109-L114 HydrophobicContact CG-CD2 4.23Å; Y109-L114 PolarHBondContact O-N 3.13Å; Y109-L114 VanDerWaalsContact O-N 3.09Å; R110-L114 VanDerWaalsContact CA-O 3.29Å; R110-L114 WeakPolarHBondContact CA-O 3.48Å; R110-L114 PolarHBondContact N-O 3.01Å; L114-Y116 PolarHBondContact O-N 3.39Å; L114-S181 VanDerWaalsContact CD1-C 3.47Å; L114-S181 VanDerWaalsContact CD1-O 3.27Å; L114-S181 WeakPolarHBondContact CD1-O 3.49Å; L114-F183 HydrophobicContact CB-CD1 3.44Å; L114-F183 VanDerWaalsContact CB-CD1 3.44Å; L114-F183 HydrophobicContact CB-CD2 4.33Å; L114-F183 HydrophobicContact CB-CE1 3.44Å; L114-F183 VanDerWaalsContact CB-CE1 3.44Å; L114-F183 HydrophobicContact CB-CE2 4.33Å; L114-F183 HydrophobicContact CB-CG 3.9Å; L114-F183 HydrophobicContact CB-CZ 3.91Å; L114-F183 HydrophobicContact CD2-CE1 4.14Å; L114-F183 HydrophobicContact CD2-CE2 3.96Å; L114-F183 HydrophobicContact CD2-CZ 3.72Å; L114-F183 HydrophobicContact CG-CE1 4.41Å; L114-F183 HydrophobicContact CG-CZ 4.42Å |
| 115 | R | 93.3 | Very high | 93.9 | Very high | 182 Ų | 182 | 54 Ų | 54 | 69% | 0.687 | 26% | 0.255 | S | S | * | . | trans | -80.5 | 56.2 | -179.7 | -65.3 | -177.9 | 179.3 | 170.7 | 0.3 | 112 | ||||
| 116 | Y | 95.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | trans | -138.3 | 139.9 | -177.7 | -172.9 | -105.9 | 0 | 0 | 0 | 110.7 | V72 Y109 L114 L118 Q122 V177 P178 | V72-Y116 HydrophobicContact CG2-CD1 4.16Å; V72-Y116 HydrophobicContact CG2-CE1 4.35Å; Y109-Y116 WeakPolarHBondContact CB-O 3.47Å; Y109-Y116 PolarHBondContact N-O 3.23Å; L114-Y116 PolarHBondContact O-N 3.39Å; Y116-L118 HydrophobicContact CD1-CB 4.38Å; Y116-L118 HydrophobicContact CE1-CB 4Å; Y116-L118 HydrophobicContact CE1-CD1 4.11Å; Y116-Q122 PolarHBondContact OH-NE2 3.24Å; Y116-Q122 PolarHBondContact OH-OE1 3.26Å; Y116-V177 HydrophobicContact CD1-CG2 4.07Å; Y116-V177 HydrophobicContact CD2-CG1 4.16Å; Y116-V177 HydrophobicContact CE1-CG2 3.77Å; Y116-V177 HydrophobicContact CE2-CG1 4.45Å; Y116-V177 HydrophobicContact CE2-CG2 4.43Å; Y116-V177 HydrophobicContact CG-CG1 4.21Å; Y116-P178 HydrophobicContact CE2-CG 4.46Å | ||
| 117 | K | 94.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 34% | 0.335 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.4 | 171.8 | -68.3 | -173.9 | 175.9 | -163.1 | 0 | 107.1 | V106 I107 D108 Y119 Q122 | V106-K117 HydrophobicContact CG2-CB 3.99Å; I107-K117 WeakPolarHBondContact O-CA 3.49Å; D108-K117 HydrophobicContact CB-CG 4.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.42Å; K117-Y119 HydrophobicContact CB-CD2 4.28Å; K117-Y119 HydrophobicContact CB-CE2 3.63Å; K117-Y119 WeakPolarHBondContact O-CD2 3.49Å; K117-Q122 PolarHBondContact O-OE1 3.41Å |
| 118 | L | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.6 | 173.3 | -179.9 | 62.4 | 0 | 0 | 0 | 107.8 | A71 V72 F75 M101 V106 I107 Y109 Y116 I123 | A71-L118 HydrophobicContact CB-CD2 4.09Å; V72-L118 HydrophobicContact CB-CD2 4.37Å; F75-L118 HydrophobicContact CB-CD1 4.14Å; F75-L118 HydrophobicContact CB-CD2 4.23Å; F75-L118 HydrophobicContact CD1-CD1 3.78Å; F75-L118 HydrophobicContact CD2-CD1 3.78Å; F75-L118 HydrophobicContact CE1-CD1 4.11Å; F75-L118 HydrophobicContact CE2-CD1 4.09Å; F75-L118 HydrophobicContact CG-CD1 3.6Å; F75-L118 HydrophobicContact CZ-CD1 4.25Å; M101-L118 HydrophobicContact SD-CD2 3.88Å; M101-L118 HydrophobicContact SD-CG 4.11Å; V106-L118 CarbonylContact C-O 3.54Å; V106-L118 WeakPolarHBondContact CA-O 3.41Å; V106-L118 WeakPolarHBondContact CG2-O 3.48Å; I107-L118 PolarHBondContact N-O 3.24Å; I107-L118 PolarHBondContact O-N 2.92Å; Y109-L118 HydrophobicContact CD2-CB 4.34Å; Y109-L118 HydrophobicContact CE2-CB 3.81Å; Y109-L118 HydrophobicContact CE2-CD2 4.29Å; Y116-L118 HydrophobicContact CD1-CB 4.38Å; Y116-L118 HydrophobicContact CE1-CB 4Å; Y116-L118 HydrophobicContact CE1-CD1 4.11Å; L118-I123 HydrophobicContact CD1-CG1 4.2Å; L118-I123 HydrophobicContact CD2-CD1 4.19Å; L118-I123 HydrophobicContact CG-CD1 4.38Å; L118-I123 HydrophobicContact CG-CG1 4.47Å |
| 119 | Y | 93.5 | Very high | 94.4 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.7 | 176 | -65.3 | -92 | 0 | 0 | 0 | 110.5 | V106 K117 W121 Q122 | V106-Y119 HydrophobicContact CB-CD1 3.84Å; V106-Y119 HydrophobicContact CB-CE1 4.04Å; V106-Y119 HydrophobicContact CG2-CD1 3.69Å; V106-Y119 HydrophobicContact CG2-CD2 4.47Å; V106-Y119 HydrophobicContact CG2-CE1 3.65Å; V106-Y119 HydrophobicContact CG2-CE2 4.43Å; V106-Y119 HydrophobicContact CG2-CG 4.11Å; K117-Y119 HydrophobicContact CB-CD2 4.28Å; K117-Y119 HydrophobicContact CB-CE2 3.63Å; K117-Y119 WeakPolarHBondContact O-CD2 3.49Å; Y119-W121 VanDerWaalsContact C-N 3.28Å; Y119-W121 AromaticContact CG-NE1 3.52Å; Y119-W121 PolarHBondContact O-N 3.37Å; Y119-Q122 WeakPolarHBondContact O-CB 3Å; Y119-Q122 PolarHBondContact O-N 2.95Å |
| 120 | Y | 93.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 43 Ų | 43 | 21% | 0.212 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.9 | -40.7 | 179.4 | -177.9 | -118.1 | 0 | 0 | 0 | 112.8 | Q98 A105 Q122 I123 L124 D150 | Q98-Y120 HydrophobicContact CB-CE2 4.2Å; Q98-Y120 HydrophobicContact CG-CE2 3.79Å; Q98-Y120 PolarHBondContact NE2-OH 2.94Å; Q98-Y120 PolarHBondContact OE1-OH 2.88Å; A105-Y120 WeakPolarHBondContact O-CB 3.35Å; A105-Y120 PolarHBondContact O-N 3.41Å; Y120-Q122 PolarHBondContact O-N 3.22Å; Y120-Q122 VanDerWaalsContact O-N 3.14Å; Y120-I123 WeakPolarHBondContact O-CB 3.5Å; Y120-I123 PolarHBondContact O-N 2.78Å; Y120-L124 HydrophobicContact CD1-CD1 3.96Å; Y120-L124 HydrophobicContact CD1-CG 4.36Å; Y120-L124 HydrophobicContact CE1-CD1 3.61Å; Y120-L124 HydrophobicContact CE1-CD2 4.28Å; Y120-L124 HydrophobicContact CE1-CG 4Å; Y120-L124 HydrophobicContact CE2-CD2 4.5Å; Y120-L124 PolarHBondContact O-N 2.81Å; Y120-L124 VanDerWaalsContact O-N 3.1Å; Y120-D150 HydrophobicContact CD1-CB 4.33Å; Y120-D150 WeakPolarHBondContact CD1-OD2 3.28Å; Y120-D150 WeakPolarHBondContact CE1-OD2 3.45Å |
| 121 | W | 92.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -26.9 | 176 | 72.7 | -98.6 | 0 | 0 | 0 | 113.7 | Y119 Y125 A147 I159 L175 | Y119-W121 VanDerWaalsContact C-N 3.28Å; Y119-W121 AromaticContact CG-NE1 3.52Å; Y119-W121 PolarHBondContact O-N 3.37Å; W121-Y125 WeakPolarHBondContact O-CB 3.48Å; W121-Y125 PolarHBondContact O-N 3.23Å; W121-A147 HydrophobicContact CB-CB 4.12Å; W121-I159 HydrophobicContact CB-CD1 4.4Å; W121-I159 HydrophobicContact CD2-CD1 4.2Å; W121-I159 HydrophobicContact CE3-CD1 3.58Å; W121-I159 HydrophobicContact CE3-CG1 4.15Å; W121-I159 HydrophobicContact CZ3-CD1 4.24Å; W121-I159 HydrophobicContact CZ3-CG1 4.35Å; W121-L175 HydrophobicContact CH2-CD1 4.37Å; W121-L175 HydrophobicContact CZ3-CD1 3.88Å |
| 122 | Q | 93.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.2 | -36.7 | 177.1 | -63.3 | 176.3 | -75.3 | 0 | 0 | 111 | F75 Y116 K117 Y119 Y120 Y125 N126 L175 | F75-Q122 HydrophobicContact CE2-CB 3.94Å; F75-Q122 HydrophobicContact CZ-CB 4.09Å; Y116-Q122 PolarHBondContact OH-NE2 3.24Å; Y116-Q122 PolarHBondContact OH-OE1 3.26Å; K117-Q122 PolarHBondContact O-OE1 3.41Å; Y119-Q122 WeakPolarHBondContact O-CB 3Å; Y119-Q122 PolarHBondContact O-N 2.95Å; Y120-Q122 PolarHBondContact O-N 3.22Å; Y120-Q122 VanDerWaalsContact O-N 3.14Å; Q122-Y125 PolarHBondContact O-N 2.9Å; Q122-N126 PolarHBondContact O-N 3.45Å; Q122-L175 HydrophobicContact CB-CD1 4.26Å; Q122-L175 HydrophobicContact CG-CD1 4.31Å |
| 123 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 174.6 | -56.6 | 172 | 0 | 0 | 0 | 108.6 | F75 C94 A97 Q98 M101 L118 Y120 Y125 N126 T127 | F75-I123 HydrophobicContact CD2-CG1 3.96Å; C94-I123 HydrophobicContact CB-CG2 4.37Å; C94-I123 WeakPolarHBondContact O-CG2 3.5Å; A97-I123 HydrophobicContact CB-CD1 4.08Å; A97-I123 HydrophobicContact CB-CG1 4.45Å; A97-I123 HydrophobicContact CB-CG2 4.17Å; Q98-I123 HydrophobicContact CB-CG2 4.25Å; M101-I123 HydrophobicContact CG-CD1 3.43Å; M101-I123 VanDerWaalsContact CG-CD1 3.43Å; M101-I123 HydrophobicContact SD-CD1 3.87Å; L118-I123 HydrophobicContact CD1-CG1 4.2Å; L118-I123 HydrophobicContact CD2-CD1 4.19Å; L118-I123 HydrophobicContact CG-CD1 4.38Å; L118-I123 HydrophobicContact CG-CG1 4.47Å; Y120-I123 WeakPolarHBondContact O-CB 3.5Å; Y120-I123 PolarHBondContact O-N 2.78Å; I123-Y125 VanDerWaalsContact C-N 3.25Å; I123-Y125 PolarHBondContact O-N 2.88Å; I123-N126 PolarHBondContact O-N 3.41Å; I123-T127 PolarHBondContact O-N 2.97Å; I123-T127 PolarHBondContact O-OG1 3.14Å |
| 124 | L | 94.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57 | -38.4 | 176.4 | -67.1 | 179.6 | 0 | 0 | 0 | 113 | Y120 T127 A128 K143 A147 | Y120-L124 HydrophobicContact CD1-CD1 3.96Å; Y120-L124 HydrophobicContact CD1-CG 4.36Å; Y120-L124 HydrophobicContact CE1-CD1 3.61Å; Y120-L124 HydrophobicContact CE1-CD2 4.28Å; Y120-L124 HydrophobicContact CE1-CG 4Å; Y120-L124 HydrophobicContact CE2-CD2 4.5Å; Y120-L124 PolarHBondContact O-N 2.81Å; Y120-L124 VanDerWaalsContact O-N 3.1Å; L124-T127 WeakPolarHBondContact O-CB 3.4Å; L124-T127 PolarHBondContact O-N 3.24Å; L124-A128 PolarHBondContact O-N 2.82Å; L124-K143 HydrophobicContact CD2-CD 4.36Å; L124-A147 HydrophobicContact CB-CB 3.77Å; L124-A147 HydrophobicContact CD1-CB 3.9Å |
| 125 | Y | 95.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 174 | 178 | -76.3 | 0 | 0 | 0 | 111.6 | W121 Q122 I123 T127 A128 A129 L144 I159 A162 L172 D173 L175 | W121-Y125 WeakPolarHBondContact O-CB 3.48Å; W121-Y125 PolarHBondContact O-N 3.23Å; Q122-Y125 PolarHBondContact O-N 2.9Å; I123-Y125 VanDerWaalsContact C-N 3.25Å; I123-Y125 PolarHBondContact O-N 2.88Å; Y125-T127 VanDerWaalsContact C-N 3.33Å; Y125-T127 PolarHBondContact O-N 3.23Å; Y125-A128 WeakPolarHBondContact O-CB 3.38Å; Y125-A128 PolarHBondContact O-N 3.34Å; Y125-A129 PolarHBondContact O-N 2.75Å; Y125-L144 HydrophobicContact CD2-CD2 3.97Å; Y125-I159 HydrophobicContact CD2-CG1 4.41Å; Y125-A162 HydrophobicContact CD2-CB 4.31Å; Y125-A162 HydrophobicContact CE2-CB 3.63Å; Y125-L172 HydrophobicContact CE2-CD1 4.47Å; Y125-D173 WeakPolarHBondContact CE1-O 3.4Å; Y125-D173 PolarHBondContact OH-O 3.04Å; Y125-D173 VanDerWaalsContact OH-O 3.09Å; Y125-L175 HydrophobicContact CD1-CB 4.4Å; Y125-L175 HydrophobicContact CD1-CD1 3.46Å; Y125-L175 VanDerWaalsContact CD1-CD1 3.46Å; Y125-L175 HydrophobicContact CD1-CD2 4.46Å; Y125-L175 HydrophobicContact CD1-CG 3.46Å; Y125-L175 VanDerWaalsContact CD1-CG 3.46Å; Y125-L175 HydrophobicContact CD2-CD1 4.35Å; Y125-L175 HydrophobicContact CE1-CD1 4.02Å; Y125-L175 HydrophobicContact CE1-CD2 4.2Å; Y125-L175 HydrophobicContact CE1-CG 3.58Å; Y125-L175 HydrophobicContact CG-CD1 3.67Å; Y125-L175 HydrophobicContact CG-CG 4.18Å |
| 126 | N | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 177.5 | -79.2 | 6.3 | 0 | 0 | 0 | 112 | F75 Q122 I123 A128 A129 A130 L175 | F75-N126 HydrophobicContact CE2-CB 4.42Å; F75-N126 WeakPolarHBondContact CE2-ND2 3.44Å; Q122-N126 PolarHBondContact O-N 3.45Å; I123-N126 PolarHBondContact O-N 3.41Å; N126-A128 VanDerWaalsContact C-N 3.34Å; N126-A129 WeakPolarHBondContact O-CB 3.48Å; N126-A129 PolarHBondContact O-N 2.64Å; N126-A130 PolarHBondContact O-N 3.45Å; N126-L175 PolarHBondContact ND2-O 3.4Å; N126-L175 WeakPolarHBondContact OD1-CB 3.42Å; N126-L175 PolarHBondContact OD1-N 3.02Å |
| 127 | T | 96.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 170.7 | -52.7 | 0 | 0 | 0 | 0 | 111 | L91 C94 I123 L124 Y125 A129 A130 Y131 K143 | L91-T127 HydrophobicContact CD1-CG2 3.63Å; C94-T127 WeakPolarHBondContact CB-OG1 3.3Å; I123-T127 PolarHBondContact O-N 2.97Å; I123-T127 PolarHBondContact O-OG1 3.14Å; L124-T127 WeakPolarHBondContact O-CB 3.4Å; L124-T127 PolarHBondContact O-N 3.24Å; Y125-T127 VanDerWaalsContact C-N 3.33Å; Y125-T127 PolarHBondContact O-N 3.23Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 3.19Å; T127-A130 WeakPolarHBondContact O-CB 3.35Å; T127-A130 PolarHBondContact O-N 2.86Å; T127-Y131 HydrophobicContact CG2-CD2 4.07Å; T127-Y131 HydrophobicContact CG2-CE2 3.64Å; T127-Y131 VanDerWaalsContact O-CD2 3.32Å; T127-Y131 WeakPolarHBondContact O-CD2 3.37Å; T127-Y131 PolarHBondContact O-N 3.35Å; T127-K143 HydrophobicContact CG2-CG 4.11Å |
| 128 | A | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L124 Y125 N126 A130 Y131 C132 A140 K143 L144 | L124-A128 PolarHBondContact O-N 2.82Å; Y125-A128 WeakPolarHBondContact O-CB 3.38Å; Y125-A128 PolarHBondContact O-N 3.34Å; N126-A128 VanDerWaalsContact C-N 3.34Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.89Å; A128-Y131 PolarHBondContact O-N 3.47Å; A128-C132 PolarHBondContact O-N 3.35Å; A128-C132 PolarHBondContact O-SG 2.7Å; A128-A140 HydrophobicContact CB-CB 4.26Å; A128-A140 WeakPolarHBondContact CB-O 3.21Å; A128-K143 HydrophobicContact CB-CB 4.17Å; A128-L144 HydrophobicContact CB-CD1 4.28Å; A128-L144 HydrophobicContact CB-CD2 3.73Å; A128-L144 HydrophobicContact CB-CG 3.6Å |
| 129 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -33.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L82 Y125 N126 T127 R133 L172 | L82-A129 HydrophobicContact CD1-CB 4.29Å; Y125-A129 PolarHBondContact O-N 2.75Å; N126-A129 WeakPolarHBondContact O-CB 3.48Å; N126-A129 PolarHBondContact O-N 2.64Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 3.19Å; A129-R133 PolarHBondContact O-N 3.01Å; A129-R133 PolarHBondContact O-NH1 3.21Å; A129-R133 VanDerWaalsContact O-NH1 3.15Å; A129-L172 HydrophobicContact CB-CB 3.9Å |
| 130 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L82 L91 N126 T127 A128 C132 R133 M134 | L82-A130 HydrophobicContact CD2-CB 3.73Å; L91-A130 HydrophobicContact CB-CB 4.19Å; L91-A130 HydrophobicContact CD1-CB 4.41Å; N126-A130 PolarHBondContact O-N 3.45Å; T127-A130 WeakPolarHBondContact O-CB 3.35Å; T127-A130 PolarHBondContact O-N 2.86Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.89Å; A130-C132 VanDerWaalsContact C-N 3.32Å; A130-C132 PolarHBondContact O-N 3.43Å; A130-R133 PolarHBondContact O-N 3.42Å; A130-M134 WeakPolarHBondContact O-CG 3.37Å; A130-M134 PolarHBondContact O-N 3.24Å; A130-M134 VanDerWaalsContact O-N 3.13Å |
| 131 | Y | 96.5 | Very high | 95.1 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 15% | 0.153 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 177 | -74.9 | -49.3 | 0 | 0 | 0 | 113.4 | L91 T127 A128 R133 M134 G135 Q136 K143 | L91-Y131 HydrophobicContact CD1-CE1 4.13Å; L91-Y131 HydrophobicContact CD1-CE2 4.18Å; L91-Y131 HydrophobicContact CD2-CD1 4.38Å; L91-Y131 HydrophobicContact CD2-CE1 3.7Å; T127-Y131 HydrophobicContact CG2-CD2 4.07Å; T127-Y131 HydrophobicContact CG2-CE2 3.64Å; T127-Y131 VanDerWaalsContact O-CD2 3.32Å; T127-Y131 WeakPolarHBondContact O-CD2 3.37Å; T127-Y131 PolarHBondContact O-N 3.35Å; A128-Y131 PolarHBondContact O-N 3.47Å; Y131-R133 VanDerWaalsContact C-N 3.34Å; Y131-R133 PolarHBondContact O-N 3.34Å; Y131-M134 CarbonylContact O-C 3.59Å; Y131-M134 PolarHBondContact O-N 2.81Å; Y131-G135 PolarHBondContact O-N 3.02Å; Y131-G135 VanDerWaalsContact O-N 3.14Å; Y131-Q136 HydrophobicContact CD1-CB 4.06Å; Y131-Q136 PolarHBondContact O-N 3Å; Y131-K143 HydrophobicContact CD2-CG 4.11Å; Y131-K143 HydrophobicContact CE2-CG 3.87Å |
| 132 | C | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | A128 A130 M134 G135 W137 A140 | A128-C132 PolarHBondContact O-N 3.35Å; A128-C132 PolarHBondContact O-SG 2.7Å; A130-C132 VanDerWaalsContact C-N 3.32Å; A130-C132 PolarHBondContact O-N 3.43Å; C132-M134 VanDerWaalsContact C-N 3.27Å; C132-M134 PolarHBondContact O-N 3.27Å; C132-G135 PolarHBondContact O-N 2.69Å; C132-G135 VanDerWaalsContact O-N 3.08Å; C132-W137 HydrophobicContact CB-CH2 4.42Å; C132-W137 HydrophobicContact CB-CZ3 3.94Å; C132-A140 VanDerWaalsContact SG-CB 3.56Å |
| 133 | R | 94.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 38 Ų | 38 | 21% | 0.211 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -29.3 | 177.4 | -72.1 | 179.4 | 176.9 | 66.2 | 9.9 | 112.7 | L82 S87 A129 A130 Y131 G135 V171 L172 | L82-R133 PolarHBondContact O-NE 3.32Å; S87-R133 WeakPolarHBondContact OG-CB 3.48Å; S87-R133 WeakPolarHBondContact OG-CD 3.39Å; A129-R133 PolarHBondContact O-N 3.01Å; A129-R133 PolarHBondContact O-NH1 3.21Å; A129-R133 VanDerWaalsContact O-NH1 3.15Å; A130-R133 PolarHBondContact O-N 3.42Å; Y131-R133 VanDerWaalsContact C-N 3.34Å; Y131-R133 PolarHBondContact O-N 3.34Å; R133-G135 VanDerWaalsContact C-N 3.26Å; R133-G135 PolarHBondContact O-N 3.05Å; R133-V171 HydrophobicContact CG-CG1 3.58Å; R133-L172 PolarHBondContact NH1-O 3.27Å; R133-L172 PolarHBondContact NH2-O 3.24Å |
| 134 | M | 94.6 | Very high | 95.1 | Very high | 64 Ų | 64 | 38 Ų | 38 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.3 | 174 | -62.6 | 176.2 | 70.1 | 0 | 0 | 113.4 | E88 L91 A130 Y131 C132 Q136 | E88-M134 HydrophobicContact CG-CE 3.96Å; E88-M134 HydrophobicContact CG-SD 4.46Å; L91-M134 HydrophobicContact CD2-SD 4.22Å; A130-M134 WeakPolarHBondContact O-CG 3.37Å; A130-M134 PolarHBondContact O-N 3.24Å; A130-M134 VanDerWaalsContact O-N 3.13Å; Y131-M134 CarbonylContact O-C 3.59Å; Y131-M134 PolarHBondContact O-N 2.81Å; C132-M134 VanDerWaalsContact C-N 3.27Å; C132-M134 PolarHBondContact O-N 3.27Å; M134-Q136 HydrophobicContact CB-CG 4.34Å; M134-Q136 PolarHBondContact O-N 3.01Å |
| 135 | G | 93.8 | Very high | 95 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 10.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y131 C132 R133 W137 | Y131-G135 PolarHBondContact O-N 3.02Å; Y131-G135 VanDerWaalsContact O-N 3.14Å; C132-G135 PolarHBondContact O-N 2.69Å; C132-G135 VanDerWaalsContact O-N 3.08Å; R133-G135 VanDerWaalsContact C-N 3.26Å; R133-G135 PolarHBondContact O-N 3.05Å; G135-W137 PolarHBondContact O-N 2.68Å; G135-W137 PolarHBondContact O-NE1 3.3Å |
| 136 | Q | 95.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | trans | -88.5 | 69.4 | 178.8 | -65.5 | -175.4 | -6.4 | 0 | 0 | 110.9 | Y131 M134 E138 S139 A140 | Y131-Q136 HydrophobicContact CD1-CB 4.06Å; Y131-Q136 PolarHBondContact O-N 3Å; M134-Q136 HydrophobicContact CB-CG 4.34Å; M134-Q136 PolarHBondContact O-N 3.01Å; Q136-E138 PolarHBondContact O-N 3.3Å; Q136-S139 PolarHBondContact O-N 2.88Å; Q136-A140 PolarHBondContact O-N 2.88Å | ||
| 137 | W | 95.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | -172.9 | -55.8 | 99.1 | 0 | 0 | 0 | 114 | C132 G135 A140 M141 V166 R169 V171 | C132-W137 HydrophobicContact CB-CH2 4.42Å; C132-W137 HydrophobicContact CB-CZ3 3.94Å; G135-W137 PolarHBondContact O-N 2.68Å; G135-W137 PolarHBondContact O-NE1 3.3Å; W137-A140 PolarHBondContact O-N 3.28Å; W137-M141 WeakPolarHBondContact O-CB 3.09Å; W137-M141 PolarHBondContact O-N 3Å; W137-V166 HydrophobicContact CE3-CG1 4.14Å; W137-R169 HydrophobicContact CD2-CB 4.3Å; W137-R169 HydrophobicContact CD2-CG 4.13Å; W137-R169 HydrophobicContact CE3-CB 4.4Å; W137-R169 HydrophobicContact CG-CG 4.49Å; W137-R169 HydrophobicContact CH2-CB 3.99Å; W137-R169 WeakPolarHBondContact CH2-O 3.27Å; W137-R169 HydrophobicContact CZ2-CB 3.85Å; W137-R169 HydrophobicContact CZ2-CG 4.44Å; W137-R169 HydrophobicContact CZ3-CB 4.27Å; W137-V171 HydrophobicContact CH2-CG2 4.37Å |
| 138 | E | 94.9 | Very high | 94 | Very high | 170 Ų | 170 | 43.3 Ų | 43.3 | 79% | 0.794 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.1 | -46.8 | 179.6 | -66 | -180 | 179.2 | 0 | 0 | 111.4 | Q136 A140 M141 D142 | Q136-E138 PolarHBondContact O-N 3.3Å; E138-A140 VanDerWaalsContact C-N 3.34Å; E138-A140 PolarHBondContact O-N 2.95Å; E138-M141 PolarHBondContact O-N 2.99Å; E138-D142 PolarHBondContact O-N 3.45Å |
| 139 | S | 95.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176 | -53.4 | 0 | 0 | 0 | 0 | 112 | Q136 M141 D142 K143 | Q136-S139 PolarHBondContact O-N 2.88Å; S139-M141 VanDerWaalsContact C-N 3.33Å; S139-M141 PolarHBondContact O-N 2.89Å; S139-D142 PolarHBondContact O-N 2.8Å; S139-K143 WeakPolarHBondContact O-CG 3.49Å; S139-K143 PolarHBondContact O-N 3.35Å; S139-K143 VanDerWaalsContact O-N 3.11Å |
| 140 | A | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A128 C132 Q136 W137 E138 K143 L144 V166 | A128-A140 HydrophobicContact CB-CB 4.26Å; A128-A140 WeakPolarHBondContact CB-O 3.21Å; C132-A140 VanDerWaalsContact SG-CB 3.56Å; Q136-A140 PolarHBondContact O-N 2.88Å; W137-A140 PolarHBondContact O-N 3.28Å; E138-A140 VanDerWaalsContact C-N 3.34Å; E138-A140 PolarHBondContact O-N 2.95Å; A140-K143 PolarHBondContact O-N 3.44Å; A140-L144 WeakPolarHBondContact O-CG 3.34Å; A140-L144 PolarHBondContact O-N 3.05Å; A140-V166 HydrophobicContact CB-CG1 4.26Å |
| 141 | M | 94.4 | Very high | 91 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 179.2 | -166.7 | 122.9 | 67.3 | 0 | 0 | 111.8 | W137 E138 S139 K143 L144 V145 L163 V166 E167 | W137-M141 WeakPolarHBondContact O-CB 3.09Å; W137-M141 PolarHBondContact O-N 3Å; E138-M141 PolarHBondContact O-N 2.99Å; S139-M141 VanDerWaalsContact C-N 3.33Å; S139-M141 PolarHBondContact O-N 2.89Å; M141-K143 VanDerWaalsContact C-N 3.33Å; M141-K143 PolarHBondContact O-N 2.86Å; M141-L144 PolarHBondContact O-N 3.44Å; M141-V145 WeakPolarHBondContact O-CG2 2.83Å; M141-V145 PolarHBondContact O-N 3.46Å; M141-L163 HydrophobicContact CG-CD2 4.14Å; M141-L163 HydrophobicContact SD-CD2 4.39Å; M141-V166 HydrophobicContact CB-CG1 4.4Å; M141-V166 HydrophobicContact SD-CG1 4.49Å; M141-E167 HydrophobicContact CE-CG 4.4Å; M141-E167 HydrophobicContact SD-CG 4Å |
| 142 | D | 95 | Very high | 89.2 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 175.7 | 179.2 | 67.3 | 0 | 0 | 0 | 112.4 | E138 S139 V145 S146 | E138-D142 PolarHBondContact O-N 3.45Å; S139-D142 PolarHBondContact O-N 2.8Å; D142-V145 PolarHBondContact O-N 2.91Å; D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.41Å; D142-S146 PolarHBondContact O-OG 3.42Å |
| 143 | K | 94.5 | Very high | 86.9 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 176 | -65.3 | -50.5 | 178.4 | -165.2 | 0 | 112.9 | L124 T127 A128 Y131 S139 A140 M141 S146 A147 | L124-K143 HydrophobicContact CD2-CD 4.36Å; T127-K143 HydrophobicContact CG2-CG 4.11Å; A128-K143 HydrophobicContact CB-CB 4.17Å; Y131-K143 HydrophobicContact CD2-CG 4.11Å; Y131-K143 HydrophobicContact CE2-CG 3.87Å; S139-K143 WeakPolarHBondContact O-CG 3.49Å; S139-K143 PolarHBondContact O-N 3.35Å; S139-K143 VanDerWaalsContact O-N 3.11Å; A140-K143 PolarHBondContact O-N 3.44Å; M141-K143 VanDerWaalsContact C-N 3.33Å; M141-K143 PolarHBondContact O-N 2.86Å; K143-S146 PolarHBondContact O-N 3.05Å; K143-A147 WeakPolarHBondContact O-CB 3.35Å; K143-A147 PolarHBondContact O-N 3.34Å |
| 144 | L | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 176.4 | -69.9 | 174.8 | 0 | 0 | 0 | 112.4 | Y125 A128 A140 M141 A147 T148 I159 A162 L163 V166 L172 | Y125-L144 HydrophobicContact CD2-CD2 3.97Å; A128-L144 HydrophobicContact CB-CD1 4.28Å; A128-L144 HydrophobicContact CB-CD2 3.73Å; A128-L144 HydrophobicContact CB-CG 3.6Å; A140-L144 WeakPolarHBondContact O-CG 3.34Å; A140-L144 PolarHBondContact O-N 3.05Å; M141-L144 PolarHBondContact O-N 3.44Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 3.09Å; L144-T148 WeakPolarHBondContact O-CG2 3.47Å; L144-T148 PolarHBondContact O-N 3.33Å; L144-I159 HydrophobicContact CB-CG2 4.33Å; L144-I159 HydrophobicContact CD2-CG2 4.23Å; L144-A162 HydrophobicContact CD1-CB 4.25Å; L144-A162 HydrophobicContact CD2-CB 4.36Å; L144-L163 HydrophobicContact CB-CD2 3.44Å; L144-L163 VanDerWaalsContact CB-CD2 3.44Å; L144-L163 HydrophobicContact CB-CG 3.93Å; L144-L163 HydrophobicContact CD1-CD2 3.99Å; L144-L163 HydrophobicContact CD1-CG 4.25Å; L144-L163 HydrophobicContact CG-CD2 4.39Å; L144-V166 HydrophobicContact CD1-CB 4.36Å; L144-V166 HydrophobicContact CD1-CG2 3.64Å; L144-L172 HydrophobicContact CD1-CD1 4.05Å; L144-L172 HydrophobicContact CD2-CD1 4.46Å |
| 145 | V | 92.2 | Very high | 82.9 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | M141 D142 A147 T148 Q149 L163 | M141-V145 WeakPolarHBondContact O-CG2 2.83Å; M141-V145 PolarHBondContact O-N 3.46Å; D142-V145 PolarHBondContact O-N 2.91Å; V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 PolarHBondContact O-N 3.25Å; V145-T148 PolarHBondContact O-N 2.93Å; V145-T148 PolarHBondContact O-OG1 3.48Å; V145-Q149 PolarHBondContact O-N 2.86Å; V145-L163 HydrophobicContact CG2-CD2 4.17Å |
| 146 | S | 90.8 | Very high | 80.9 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 173 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | D142 K143 T148 Q149 D150 | D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.41Å; D142-S146 PolarHBondContact O-OG 3.42Å; K143-S146 PolarHBondContact O-N 3.05Å; S146-T148 PolarHBondContact O-N 2.98Å; S146-Q149 PolarHBondContact O-N 2.87Å; S146-D150 PolarHBondContact O-N 3.01Å |
| 147 | A | 88.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -24 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | W121 L124 K143 L144 V145 I159 | W121-A147 HydrophobicContact CB-CB 4.12Å; L124-A147 HydrophobicContact CB-CB 3.77Å; L124-A147 HydrophobicContact CD1-CB 3.9Å; K143-A147 WeakPolarHBondContact O-CB 3.35Å; K143-A147 PolarHBondContact O-N 3.34Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 3.09Å; V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 PolarHBondContact O-N 3.25Å; A147-I159 HydrophobicContact CB-CD1 3.85Å |
| 148 | T | 86.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.7 | -31 | 172.8 | 63.1 | 0 | 0 | 0 | 0 | 113 | L144 V145 S146 I159 L163 | L144-T148 WeakPolarHBondContact O-CG2 3.47Å; L144-T148 PolarHBondContact O-N 3.33Å; V145-T148 PolarHBondContact O-N 2.93Å; V145-T148 PolarHBondContact O-OG1 3.48Å; S146-T148 PolarHBondContact O-N 2.98Å; T148-I159 HydrophobicContact CG2-CB 4.4Å; T148-I159 HydrophobicContact CG2-CG2 3.58Å; T148-L163 HydrophobicContact CG2-CD1 4.05Å |
| 149 | Q | 82.4 | Confident | 77.8 | Confident | 149 Ų | 149 | 65.7 Ų | 65.7 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -75.7 | -36.5 | -177.9 | -63 | 176.4 | 5.3 | 0 | 0 | 111.9 | V145 S146 R151 | V145-Q149 PolarHBondContact O-N 2.86Å; S146-Q149 PolarHBondContact O-N 2.87Å; Q149-R151 PolarHBondContact O-N 3.16Å |
| 150 | D | 74.6 | Confident | 77.4 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 1.9 | 179.8 | -70.4 | -34.5 | 0 | 0 | 0 | 114.5 | Y120 S146 G152 | Y120-D150 HydrophobicContact CD1-CB 4.33Å; Y120-D150 WeakPolarHBondContact CD1-OD2 3.28Å; Y120-D150 WeakPolarHBondContact CE1-OD2 3.45Å; S146-D150 PolarHBondContact O-N 3.01Å; D150-G152 PolarHBondContact O-N 3.43Å |
| 151 | R | 69.1 | Low | 77.2 | Confident | 47 Ų | 47 | 73 Ų | 73 | 18% | 0.177 | 42% | 0.416 | C | S | . | . | trans | -76.6 | 123.2 | -178.4 | -83.3 | 173 | 163.9 | -178.1 | -13.5 | 112.1 | Q149 R155 G156 I159 | Q149-R151 PolarHBondContact O-N 3.16Å; R151-R155 VanDerWaalsContact CZ-O 3.3Å; R151-R155 PolarHBondContact NH2-O 3.5Å; R151-G156 VanDerWaalsContact CZ-CA 3.49Å; R151-G156 VanDerWaalsContact NH1-C 3.33Å; R151-G156 PolarHBondContact NH1-O 3.2Å; R151-G156 VanDerWaalsContact NH2-C 3.32Å; R151-G156 PolarHBondContact NH2-O 3.04Å; R151-I159 VanDerWaalsContact NH2-CB 3.26Å; R151-I159 VanDerWaalsContact NH2-CD1 3.34Å | ||
| 152 | G | 58.8 | Low | 77 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | trans | -65.4 | 149.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D150 G154 | D150-G152 PolarHBondContact O-N 3.43Å; G152-G154 PolarHBondContact O-N 3.31Å | ||
| 153 | Q | 45.9 | Very low | 76.9 | Confident | 211 Ų | 211 | 67.1 Ų | 67.1 | 99% | 0.986 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 107 | 179.6 | -74 | 174.9 | -17.6 | 0 | 0 | 111.6 | ||
| 154 | G | 48.5 | Very low | 76.8 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 145.5 | 0.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | G152 | G152-G154 PolarHBondContact O-N 3.31Š|
| 155 | R | 57.2 | Low | 76.8 | Confident | 155 Ų | 155 | 70.9 Ų | 70.9 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | trans | -131.2 | 40.9 | 179.7 | -67.6 | -172.9 | 177.7 | -174.7 | -2.3 | 114.2 | R151 | R151-R155 VanDerWaalsContact CZ-O 3.3Å; R151-R155 PolarHBondContact NH2-O 3.5Å | ||
| 156 | G | 50.5 | Low | 76.8 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | trans | -66.7 | -38.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | R151 N158 | R151-G156 VanDerWaalsContact CZ-CA 3.49Å; R151-G156 VanDerWaalsContact NH1-C 3.33Å; R151-G156 PolarHBondContact NH1-O 3.2Å; R151-G156 VanDerWaalsContact NH2-C 3.32Å; R151-G156 PolarHBondContact NH2-O 3.04Å; G156-N158 PolarHBondContact O-N 3.3Å | ||
| 157 | G | 61.5 | Low | 76.9 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | -162 | 0 | 0 | 0 | 0 | 0 | 115.7 | V161 | G157-V161 WeakPolarHBondContact O-CG2 3.47Å; G157-V161 PolarHBondContact O-N 3.42Å |
| 158 | N | 75.2 | Confident | 77.2 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -74.7 | -33.9 | -167.3 | -65.3 | 5.1 | 0 | 0 | 0 | 114.3 | G156 A162 | G156-N158 PolarHBondContact O-N 3.3Å; N158-A162 WeakPolarHBondContact O-CB 3.37Å; N158-A162 PolarHBondContact O-N 3.08Å |
| 159 | I | 85.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.2 | -34.7 | -180 | -62.6 | 172.8 | 0 | 0 | 0 | 111.8 | W121 Y125 L144 A147 T148 R151 V161 A162 L163 | W121-I159 HydrophobicContact CB-CD1 4.4Å; W121-I159 HydrophobicContact CD2-CD1 4.2Å; W121-I159 HydrophobicContact CE3-CD1 3.58Å; W121-I159 HydrophobicContact CE3-CG1 4.15Å; W121-I159 HydrophobicContact CZ3-CD1 4.24Å; W121-I159 HydrophobicContact CZ3-CG1 4.35Å; Y125-I159 HydrophobicContact CD2-CG1 4.41Å; L144-I159 HydrophobicContact CB-CG2 4.33Å; L144-I159 HydrophobicContact CD2-CG2 4.23Å; A147-I159 HydrophobicContact CB-CD1 3.85Å; T148-I159 HydrophobicContact CG2-CB 4.4Å; T148-I159 HydrophobicContact CG2-CG2 3.58Å; R151-I159 VanDerWaalsContact NH2-CB 3.26Å; R151-I159 VanDerWaalsContact NH2-CD1 3.34Å; I159-V161 VanDerWaalsContact C-N 3.3Å; I159-V161 PolarHBondContact O-N 2.88Å; I159-A162 CarbonylContact O-C 3.6Å; I159-A162 WeakPolarHBondContact O-CB 3.48Å; I159-A162 PolarHBondContact O-N 3.31Å; I159-A162 VanDerWaalsContact O-N 3.16Å; I159-L163 HydrophobicContact CG2-CD1 4.33Å; I159-L163 HydrophobicContact CG2-CG 4.42Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 2.88Å |
| 160 | E | 87.1 | Confident | 78 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 175.6 | -69.8 | 173.9 | -158 | 0 | 0 | 111.4 | A162 L163 K164 | E160-A162 VanDerWaalsContact C-N 3.33Å; E160-L163 PolarHBondContact O-N 2.99Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 3.32Å |
| 161 | V | 89.5 | Confident | 78.9 | Confident | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 172.1 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | G157 I159 K164 S165 | G157-V161 WeakPolarHBondContact O-CG2 3.47Å; G157-V161 PolarHBondContact O-N 3.42Å; I159-V161 VanDerWaalsContact C-N 3.3Å; I159-V161 PolarHBondContact O-N 2.88Å; V161-K164 PolarHBondContact O-N 3.11Å; V161-S165 PolarHBondContact O-N 3.48Å; V161-S165 PolarHBondContact O-OG 3.4Å |
| 162 | A | 90.6 | Very high | 80 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 3% | 0.025 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y125 L144 N158 I159 E160 K164 S165 V166 L172 | Y125-A162 HydrophobicContact CD2-CB 4.31Å; Y125-A162 HydrophobicContact CE2-CB 3.63Å; L144-A162 HydrophobicContact CD1-CB 4.25Å; L144-A162 HydrophobicContact CD2-CB 4.36Å; N158-A162 WeakPolarHBondContact O-CB 3.37Å; N158-A162 PolarHBondContact O-N 3.08Å; I159-A162 CarbonylContact O-C 3.6Å; I159-A162 WeakPolarHBondContact O-CB 3.48Å; I159-A162 PolarHBondContact O-N 3.31Å; I159-A162 VanDerWaalsContact O-N 3.16Å; E160-A162 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.26Å; A162-S165 WeakPolarHBondContact O-CA 3.35Å; A162-S165 WeakPolarHBondContact O-CB 3.31Å; A162-S165 PolarHBondContact O-N 2.76Å; A162-V166 WeakPolarHBondContact O-CG2 3.35Å; A162-V166 PolarHBondContact O-N 2.91Å; A162-L172 HydrophobicContact CB-CD1 4.11Å; A162-L172 HydrophobicContact CB-CD2 3.89Å |
| 163 | L | 92.3 | Very high | 81.7 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -55.3 | -49.6 | 175.2 | -79.3 | 167.1 | 0 | 0 | 0 | 111.4 | M141 L144 V145 T148 I159 E160 S165 V166 E167 | M141-L163 HydrophobicContact CG-CD2 4.14Å; M141-L163 HydrophobicContact SD-CD2 4.39Å; L144-L163 HydrophobicContact CB-CD2 3.44Å; L144-L163 VanDerWaalsContact CB-CD2 3.44Å; L144-L163 HydrophobicContact CB-CG 3.93Å; L144-L163 HydrophobicContact CD1-CD2 3.99Å; L144-L163 HydrophobicContact CD1-CG 4.25Å; L144-L163 HydrophobicContact CG-CD2 4.39Å; V145-L163 HydrophobicContact CG2-CD2 4.17Å; T148-L163 HydrophobicContact CG2-CD1 4.05Å; I159-L163 HydrophobicContact CG2-CD1 4.33Å; I159-L163 HydrophobicContact CG2-CG 4.42Å; I159-L163 WeakPolarHBondContact O-CG 3.48Å; I159-L163 PolarHBondContact O-N 2.88Å; E160-L163 PolarHBondContact O-N 2.99Å; L163-S165 PolarHBondContact O-N 2.95Å; L163-V166 PolarHBondContact O-N 3.48Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.03Å |
| 164 | K | 92.1 | Very high | 84 | Confident | 122 Ų | 122 | 74 Ų | 74 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -31.8 | 176.1 | -70.1 | 177 | -178.8 | 176.3 | 0 | 113.2 | E160 V161 A162 R168 | E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 3.32Å; V161-K164 PolarHBondContact O-N 3.11Å; A162-K164 PolarHBondContact O-N 3.26Å; K164-R168 WeakPolarHBondContact O-CG 3.47Å; K164-R168 PolarHBondContact O-N 3.18Å |
| 165 | S | 93 | Very high | 86.2 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.9 | -40.7 | 178.6 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | V161 A162 L163 E167 R168 R169 E170 | V161-S165 PolarHBondContact O-N 3.48Å; V161-S165 PolarHBondContact O-OG 3.4Å; A162-S165 WeakPolarHBondContact O-CA 3.35Å; A162-S165 WeakPolarHBondContact O-CB 3.31Å; A162-S165 PolarHBondContact O-N 2.76Å; L163-S165 PolarHBondContact O-N 2.95Å; S165-E167 PolarHBondContact O-N 3.13Å; S165-R168 CarbonylContact O-C 3.47Å; S165-R168 WeakPolarHBondContact O-CA 3.34Å; S165-R168 PolarHBondContact O-N 3.34Å; S165-R168 VanDerWaalsContact O-N 3.12Å; S165-R168 PolarHBondContact OG-NH2 3.38Å; S165-R169 PolarHBondContact O-N 3.49Å; S165-E170 WeakPolarHBondContact O-CB 3.23Å; S165-E170 PolarHBondContact O-N 3.27Å |
| 166 | V | 93.4 | Very high | 88 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 173.3 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | W137 A140 M141 L144 A162 L163 R168 R169 L172 | W137-V166 HydrophobicContact CE3-CG1 4.14Å; A140-V166 HydrophobicContact CB-CG1 4.26Å; M141-V166 HydrophobicContact CB-CG1 4.4Å; M141-V166 HydrophobicContact SD-CG1 4.49Å; L144-V166 HydrophobicContact CD1-CB 4.36Å; L144-V166 HydrophobicContact CD1-CG2 3.64Å; A162-V166 WeakPolarHBondContact O-CG2 3.35Å; A162-V166 PolarHBondContact O-N 2.91Å; L163-V166 PolarHBondContact O-N 3.48Å; V166-R168 VanDerWaalsContact C-N 3.25Å; V166-R168 PolarHBondContact O-N 3.15Å; V166-R169 WeakPolarHBondContact O-CA 3.23Å; V166-R169 PolarHBondContact O-N 3.4Å; V166-L172 HydrophobicContact CG2-CD1 3.71Å; V166-L172 HydrophobicContact CG2-CD2 4.2Å; V166-L172 HydrophobicContact CG2-CG 3.96Å |
| 167 | E | 93.3 | Very high | 90.1 | Very high | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.8 | -37.5 | 172.8 | -74 | 174.5 | 171.3 | 0 | 0 | 112.3 | M141 L163 S165 R169 | M141-E167 HydrophobicContact CE-CG 4.4Å; M141-E167 HydrophobicContact SD-CG 4Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.03Å; S165-E167 PolarHBondContact O-N 3.13Å; E167-R169 PolarHBondContact O-N 2.95Å |
| 168 | R | 94.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 68 Ų | 68 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.5 | 174.3 | -66.6 | -168.6 | -55.6 | -95.4 | -5.9 | 113.8 | K164 S165 V166 E170 | K164-R168 WeakPolarHBondContact O-CG 3.47Å; K164-R168 PolarHBondContact O-N 3.18Å; S165-R168 CarbonylContact O-C 3.47Å; S165-R168 WeakPolarHBondContact O-CA 3.34Å; S165-R168 PolarHBondContact O-N 3.34Å; S165-R168 VanDerWaalsContact O-N 3.12Å; S165-R168 PolarHBondContact OG-NH2 3.38Å; V166-R168 VanDerWaalsContact C-N 3.25Å; V166-R168 PolarHBondContact O-N 3.15Å; R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 HydrophobicContact CB-CG 4.12Å; R168-E170 IonicContact CZ-OE1 3.56Å; R168-E170 IonicContact CZ-OE2 2.68Å; R168-E170 IonicContact NE-OE1 3.65Å; R168-E170 PolarHBondContact NE-OE1 3.24Å; R168-E170 IonicContact NE-OE2 3.28Å; R168-E170 PolarHBondContact NE-OE2 3.07Å; R168-E170 IonicContact NH2-OE1 3.3Å; R168-E170 IonicContact NH2-OE2 3.01Å; R168-E170 PolarHBondContact NH2-OE2 3.26Å; R168-E170 PolarHBondContact O-N 3.44Å |
| 169 | R | 92.5 | Very high | 92.2 | Very high | 172 Ų | 172 | 67.5 Ų | 67.5 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 35 | -174.9 | -58 | 179.4 | 174.8 | -115.9 | -0.6 | 113.3 | W137 S165 V166 E167 | W137-R169 HydrophobicContact CD2-CB 4.3Å; W137-R169 HydrophobicContact CD2-CG 4.13Å; W137-R169 HydrophobicContact CE3-CB 4.4Å; W137-R169 HydrophobicContact CG-CG 4.49Å; W137-R169 HydrophobicContact CH2-CB 3.99Å; W137-R169 WeakPolarHBondContact CH2-O 3.27Å; W137-R169 HydrophobicContact CZ2-CB 3.85Å; W137-R169 HydrophobicContact CZ2-CG 4.44Å; W137-R169 HydrophobicContact CZ3-CB 4.27Å; S165-R169 PolarHBondContact O-N 3.49Å; V166-R169 WeakPolarHBondContact O-CA 3.23Å; V166-R169 PolarHBondContact O-N 3.4Å; E167-R169 PolarHBondContact O-N 2.95Å |
| 170 | E | 93.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -88 | 136.5 | 172.4 | -66.3 | 166.5 | -172.1 | 0 | 0 | 109.8 | S165 R168 | S165-E170 WeakPolarHBondContact O-CB 3.23Å; S165-E170 PolarHBondContact O-N 3.27Å; R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 HydrophobicContact CB-CG 4.12Å; R168-E170 IonicContact CZ-OE1 3.56Å; R168-E170 IonicContact CZ-OE2 2.68Å; R168-E170 IonicContact NE-OE1 3.65Å; R168-E170 PolarHBondContact NE-OE1 3.24Å; R168-E170 IonicContact NE-OE2 3.28Å; R168-E170 PolarHBondContact NE-OE2 3.07Å; R168-E170 IonicContact NH2-OE1 3.3Å; R168-E170 IonicContact NH2-OE2 3.01Å; R168-E170 PolarHBondContact NH2-OE2 3.26Å; R168-E170 PolarHBondContact O-N 3.44Å |
| 171 | V | 92.7 | Very high | 92.6 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 133.7 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | R133 W137 | R133-V171 HydrophobicContact CG-CG1 3.58Å; W137-V171 HydrophobicContact CH2-CG2 4.37Å |
| 172 | L | 93.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 136.4 | 179 | -59.9 | 178.2 | 0 | 0 | 0 | 112.2 | Y125 A129 R133 L144 A162 V166 | Y125-L172 HydrophobicContact CE2-CD1 4.47Å; A129-L172 HydrophobicContact CB-CB 3.9Å; R133-L172 PolarHBondContact NH1-O 3.27Å; R133-L172 PolarHBondContact NH2-O 3.24Å; L144-L172 HydrophobicContact CD1-CD1 4.05Å; L144-L172 HydrophobicContact CD2-CD1 4.46Å; A162-L172 HydrophobicContact CB-CD1 4.11Å; A162-L172 HydrophobicContact CB-CD2 3.89Å; V166-L172 HydrophobicContact CG2-CD1 3.71Å; V166-L172 HydrophobicContact CG2-CD2 4.2Å; V166-L172 HydrophobicContact CG2-CG 3.96Å |
| 173 | D | 92.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 60.2 Ų | 60.2 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -72 | 134 | 168.7 | -69.8 | -40.2 | 0 | 0 | 0 | 110.5 | Y125 | Y125-D173 WeakPolarHBondContact CE1-O 3.4Å; Y125-D173 PolarHBondContact OH-O 3.04Å; Y125-D173 VanDerWaalsContact OH-O 3.09Å |
| 174 | P | 94.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 148.3 | -178.6 | 30.6 | -35.4 | 0 | 0 | 0 | 111.3 | A79 L82 Q83 L176 | A79-P174 HydrophobicContact CB-CB 4.11Å; L82-P174 HydrophobicContact CB-CB 4.06Å; L82-P174 HydrophobicContact CB-CG 4.04Å; L82-P174 HydrophobicContact CD1-CB 3.8Å; Q83-P174 HydrophobicContact CG-CG 4.02Å; P174-L176 WeakPolarHBondContact O-CD1 3.29Å |
| 175 | L | 94.8 | Very high | 93.5 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 128.9 | 170.7 | -62.5 | 173.3 | 0 | 0 | 0 | 109.7 | F75 A79 W121 Q122 Y125 N126 | F75-L175 HydrophobicContact CZ-CB 4.04Å; F75-L175 VanDerWaalsContact CZ-O 3.3Å; F75-L175 WeakPolarHBondContact CZ-O 3.49Å; A79-L175 WeakPolarHBondContact CB-O 3.27Å; W121-L175 HydrophobicContact CH2-CD1 4.37Å; W121-L175 HydrophobicContact CZ3-CD1 3.88Å; Q122-L175 HydrophobicContact CB-CD1 4.26Å; Q122-L175 HydrophobicContact CG-CD1 4.31Å; Y125-L175 HydrophobicContact CD1-CB 4.4Å; Y125-L175 HydrophobicContact CD1-CD1 3.46Å; Y125-L175 VanDerWaalsContact CD1-CD1 3.46Å; Y125-L175 HydrophobicContact CD1-CD2 4.46Å; Y125-L175 HydrophobicContact CD1-CG 3.46Å; Y125-L175 VanDerWaalsContact CD1-CG 3.46Å; Y125-L175 HydrophobicContact CD2-CD1 4.35Å; Y125-L175 HydrophobicContact CE1-CD1 4.02Å; Y125-L175 HydrophobicContact CE1-CD2 4.2Å; Y125-L175 HydrophobicContact CE1-CG 3.58Å; Y125-L175 HydrophobicContact CG-CD1 3.67Å; Y125-L175 HydrophobicContact CG-CG 4.18Å; N126-L175 PolarHBondContact ND2-O 3.4Å; N126-L175 WeakPolarHBondContact OD1-CB 3.42Å; N126-L175 PolarHBondContact OD1-N 3.02Å |
| 176 | L | 94.6 | Very high | 93.4 | Very high | 55 Ų | 55 | 63.4 Ų | 63.4 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | trans | -110.2 | 156.9 | 174 | -62.1 | 98.1 | 0 | 0 | 0 | 110.5 | L48 A79 P174 | L48-L176 HydrophobicContact CD1-CD2 4.43Å; A79-L176 HydrophobicContact CB-CD2 4.27Å; A79-L176 HydrophobicContact CB-CG 3.85Å; P174-L176 WeakPolarHBondContact O-CD1 3.29Å | ||
| 177 | V | 94.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.1 | 160 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | F41 V72 F75 Y116 V179 | F41-V177 HydrophobicContact CZ-CG2 4.35Å; V72-V177 HydrophobicContact CG2-CG2 3.72Å; F75-V177 HydrophobicContact CD1-CG2 4.19Å; F75-V177 HydrophobicContact CE1-CG2 4.25Å; Y116-V177 HydrophobicContact CD1-CG2 4.07Å; Y116-V177 HydrophobicContact CD2-CG1 4.16Å; Y116-V177 HydrophobicContact CE1-CG2 3.77Å; Y116-V177 HydrophobicContact CE2-CG1 4.45Å; Y116-V177 HydrophobicContact CE2-CG2 4.43Å; Y116-V177 HydrophobicContact CG-CG1 4.21Å; V177-V179 PolarHBondContact O-N 2.9Å |
| 178 | P | 93.3 | Very high | 92.9 | Very high | 70 Ų | 70 | 71.1 Ų | 71.1 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 138.9 | -176.2 | -26.3 | 33.6 | 0 | 0 | 0 | 112.6 | Y116 G180 S181 | Y116-P178 HydrophobicContact CE2-CG 4.46Å; P178-G180 PolarHBondContact O-N 3.31Å; P178-S181 WeakPolarHBondContact O-CB 3.37Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 PolarHBondContact O-OG 2.71Å |
| 179 | V | 87.4 | Confident | 92.6 | Very high | 106 Ų | 106 | 66.4 Ų | 66.4 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 135.2 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | A49 V177 S181 | A49-V179 HydrophobicContact CB-CG1 4.39Å; V177-V179 PolarHBondContact O-N 2.9Å; V179-S181 VanDerWaalsContact C-N 3.32Å |
| 180 | G | 87.3 | Confident | 92.4 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | P178 V182 | P178-G180 PolarHBondContact O-N 3.31Å; G180-V182 PolarHBondContact O-N 2.97Å; G180-V182 VanDerWaalsContact O-N 3.17Å |
| 181 | S | 94.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | trans | -82.2 | 92.9 | 171.1 | -57.9 | 0 | 0 | 0 | 0 | 110 | L114 P178 V179 | L114-S181 VanDerWaalsContact CD1-C 3.47Å; L114-S181 VanDerWaalsContact CD1-O 3.27Å; L114-S181 WeakPolarHBondContact CD1-O 3.49Å; P178-S181 WeakPolarHBondContact O-CB 3.37Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 PolarHBondContact O-OG 2.71Å; V179-S181 VanDerWaalsContact C-N 3.32Å | ||
| 182 | V | 96.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | trans | -118.7 | 158.8 | -177.2 | -67.1 | 0 | 0 | 0 | 0 | 112 | V14 V17 N42 G180 | V14-V182 HydrophobicContact CG1-CG2 4.25Å; V14-V182 HydrophobicContact CG2-CG2 4.28Å; V17-V182 HydrophobicContact CB-CG2 4.38Å; V17-V182 HydrophobicContact CG1-CG1 3.96Å; V17-V182 HydrophobicContact CG1-CG2 3.82Å; V17-V182 HydrophobicContact CG2-CG1 4.35Å; N42-V182 WeakPolarHBondContact OD1-CB 3.48Å; G180-V182 PolarHBondContact O-N 2.97Å; G180-V182 VanDerWaalsContact O-N 3.17Å | ||
| 183 | F | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 131.3 | 171.7 | -74.4 | -82.4 | 0 | 0 | 0 | 110.5 | W10 V14 R38 F41 N42 L70 V72 Y109 L112 L114 | W10-F183 HydrophobicContact CZ2-CB 4.12Å; W10-F183 PolarHBondContact NE1-O 3.11Å; W10-F183 VanDerWaalsContact NE1-O 3.14Å; V14-F183 WeakPolarHBondContact CG2-O 3.37Å; R38-F183 HydrophobicContact CB-CB 3.88Å; R38-F183 HydrophobicContact CB-CD1 4.39Å; R38-F183 HydrophobicContact CB-CD2 4.17Å; R38-F183 HydrophobicContact CB-CG 3.9Å; R38-F183 HydrophobicContact CG-CB 4.23Å; R38-F183 HydrophobicContact CG-CD1 3.81Å; R38-F183 HydrophobicContact CG-CD2 4.2Å; R38-F183 HydrophobicContact CG-CE1 4.19Å; R38-F183 HydrophobicContact CG-CG 3.83Å; F41-F183 HydrophobicContact CB-CD2 3.93Å; F41-F183 HydrophobicContact CB-CE2 3.92Å; F41-F183 AromaticContact CD1-CD2 3.51Å; F41-F183 HydrophobicContact CD1-CD2 3.51Å; F41-F183 AromaticContact CD1-CE2 3.48Å; F41-F183 HydrophobicContact CD1-CE2 3.48Å; F41-F183 VanDerWaalsContact CD1-CE2 3.48Å; F41-F183 HydrophobicContact CD2-CE2 4.18Å; F41-F183 HydrophobicContact CE1-CD2 4.27Å; F41-F183 HydrophobicContact CE1-CE2 4.01Å; F41-F183 AromaticContact CG-CD2 3.87Å; F41-F183 HydrophobicContact CG-CD2 3.87Å; F41-F183 AromaticContact CG-CE2 3.58Å; F41-F183 HydrophobicContact CG-CE2 3.58Å; N42-F183 PolarHBondContact ND2-O 3.17Å; N42-F183 WeakPolarHBondContact OD1-CB 3.3Å; N42-F183 PolarHBondContact OD1-N 3.18Å; L70-F183 HydrophobicContact CD1-CZ 4.3Å; V72-F183 HydrophobicContact CG1-CZ 4.13Å; Y109-F183 HydrophobicContact CD1-CE1 4.45Å; Y109-F183 HydrophobicContact CD1-CZ 4.42Å; L112-F183 HydrophobicContact CB-CD1 4.25Å; L112-F183 HydrophobicContact CB-CE1 3.85Å; L112-F183 WeakPolarHBondContact O-CD1 3.47Å; L114-F183 HydrophobicContact CB-CD1 3.44Å; L114-F183 VanDerWaalsContact CB-CD1 3.44Å; L114-F183 HydrophobicContact CB-CD2 4.33Å; L114-F183 HydrophobicContact CB-CE1 3.44Å; L114-F183 VanDerWaalsContact CB-CE1 3.44Å; L114-F183 HydrophobicContact CB-CE2 4.33Å; L114-F183 HydrophobicContact CB-CG 3.9Å; L114-F183 HydrophobicContact CB-CZ 3.91Å; L114-F183 HydrophobicContact CD2-CE1 4.14Å; L114-F183 HydrophobicContact CD2-CE2 3.96Å; L114-F183 HydrophobicContact CD2-CZ 3.72Å; L114-F183 HydrophobicContact CG-CE1 4.41Å; L114-F183 HydrophobicContact CG-CZ 4.42Å |
| 184 | R | 95.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | trans | -114.5 | 142.7 | -178.7 | -53.8 | -168 | 176.5 | -132.2 | -1.7 | 111.5 | V14 D18 G113 | V14-R184 HydrophobicContact CG1-CG 3.8Å; D18-R184 VanDerWaalsContact CG-NH2 3.35Å; D18-R184 IonicContact OD1-CZ 3.97Å; D18-R184 IonicContact OD1-NH1 2.72Å; D18-R184 IonicContact OD1-NH2 3.95Å; D18-R184 PolarHBondContact OD1-NH2 3.09Å; D18-R184 IonicContact OD2-CZ 2.71Å; D18-R184 IonicContact OD2-NH1 3.62Å; D18-R184 PolarHBondContact OD2-NH1 3.1Å; D18-R184 IonicContact OD2-NH2 2.74Å; D18-R184 PolarHBondContact OD2-NH2 3.37Å; G113-R184 WeakPolarHBondContact CA-O 3.46Å; G113-R184 WeakPolarHBondContact O-CB 3.23Å; G113-R184 PolarHBondContact O-N 3.17Å | ||
| 185 | P | 94.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 7% | 0.065 | 36% | 0.36 | C | S | . | . | trans | -61.8 | 157 | 169.7 | 14.1 | -14.7 | 0 | 0 | 0 | 111.1 | L7 W10 N11 K187 I190 | L7-P185 HydrophobicContact CD2-CB 3.84Å; W10-P185 HydrophobicContact CD2-CB 4.13Å; W10-P185 HydrophobicContact CD2-CG 3.94Å; W10-P185 HydrophobicContact CE3-CB 3.74Å; W10-P185 HydrophobicContact CE3-CG 4.06Å; W10-P185 HydrophobicContact CG-CG 4.22Å; W10-P185 HydrophobicContact CH2-CB 4.3Å; W10-P185 HydrophobicContact CZ3-CB 3.83Å; N11-P185 HydrophobicContact CB-CG 4.02Å; P185-K187 PolarHBondContact O-N 3.18Å; P185-I190 HydrophobicContact CB-CD1 4.05Å; P185-I190 HydrophobicContact CB-CG1 4.09Å; P185-I190 HydrophobicContact CG-CD1 3.8Å; P185-I190 HydrophobicContact CG-CG1 4.13Å | ||
| 186 | R | 91.6 | Very high | 88 | Confident | 162 Ų | 162 | 78.3 Ų | 78.3 | 61% | 0.611 | 38% | 0.375 | S | S | * | . | trans | -67.3 | 134.4 | -179.4 | -66.8 | 178.4 | 173 | 179.4 | -1.2 | 109.4 | Q188 E189 I190 | R186-Q188 PolarHBondContact O-N 3.22Å; R186-E189 HydrophobicContact CB-CB 4.45Å; R186-E189 HydrophobicContact CB-CG 3.99Å; R186-E189 PolarHBondContact O-N 2.96Å; R186-I190 WeakPolarHBondContact O-CG1 3.45Å; R186-I190 PolarHBondContact O-N 3.48Å | ||
| 187 | K | 88.5 | Confident | 86.9 | Confident | 152 Ų | 152 | 81.3 Ų | 81.3 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.5 | -40.2 | -177.6 | -165.7 | -171.5 | -177.8 | -134.2 | 0 | 112.8 | P185 E189 I190 E191 | P185-K187 PolarHBondContact O-N 3.18Å; K187-E189 VanDerWaalsContact C-N 3.33Å; K187-E189 PolarHBondContact O-N 2.8Å; K187-I190 PolarHBondContact O-N 3.27Å; K187-E191 WeakPolarHBondContact CD-OE1 3.4Å; K187-E191 WeakPolarHBondContact CE-OE1 3.32Å; K187-E191 IonicContact NZ-OE1 2.78Å; K187-E191 PolarHBondContact NZ-OE1 2.93Å; K187-E191 WeakPolarHBondContact O-CG 3.36Å; K187-E191 PolarHBondContact O-N 3.21Å |
| 188 | Q | 87.9 | Confident | 85.7 | Confident | 143 Ų | 143 | 89.5 Ų | 89.5 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 179.6 | -65.9 | 175.1 | -3.7 | 0 | 0 | 112.2 | R186 I190 E191 Q192 | R186-Q188 PolarHBondContact O-N 3.22Å; Q188-I190 VanDerWaalsContact C-N 3.34Å; Q188-E191 PolarHBondContact O-N 3.44Å; Q188-Q192 VanDerWaalsContact O-CG 3.29Å; Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 2.88Å; Q188-Q192 VanDerWaalsContact O-N 3.15Å |
| 189 | E | 87.1 | Confident | 84.5 | Confident | 45 Ų | 45 | 93.8 Ų | 93.8 | 21% | 0.21 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 179.3 | -62.3 | 173.3 | 166.3 | 0 | 0 | 111 | Y3 L7 R186 K187 Q192 L193 | Y3-E189 PolarHBondContact OH-OE1 3.29Å; Y3-E189 PolarHBondContact OH-OE2 2.88Å; L7-E189 HydrophobicContact CD1-CB 3.86Å; R186-E189 HydrophobicContact CB-CB 4.45Å; R186-E189 HydrophobicContact CB-CG 3.99Å; R186-E189 PolarHBondContact O-N 2.96Å; K187-E189 VanDerWaalsContact C-N 3.33Å; K187-E189 PolarHBondContact O-N 2.8Å; E189-Q192 PolarHBondContact O-N 2.88Å; E189-L193 PolarHBondContact O-N 3.14Å |
| 190 | I | 88.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 90.5 Ų | 90.5 | 15% | 0.154 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69 | -41.6 | 176.2 | -56 | 163.3 | 0 | 0 | 0 | 110.9 | P185 R186 K187 Q188 Q192 L193 H194 | P185-I190 HydrophobicContact CB-CD1 4.05Å; P185-I190 HydrophobicContact CB-CG1 4.09Å; P185-I190 HydrophobicContact CG-CD1 3.8Å; P185-I190 HydrophobicContact CG-CG1 4.13Å; R186-I190 WeakPolarHBondContact O-CG1 3.45Å; R186-I190 PolarHBondContact O-N 3.48Å; K187-I190 PolarHBondContact O-N 3.27Å; Q188-I190 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 2.84Å; I190-L193 WeakPolarHBondContact O-CB 3.25Å; I190-L193 PolarHBondContact O-N 2.86Å; I190-L193 VanDerWaalsContact O-N 3.08Å; I190-H194 PolarHBondContact O-ND1 2.87Å |
| 191 | E | 86.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -29.5 | 177 | -74.3 | 175.1 | -171.8 | 0 | 0 | 111.9 | K187 Q188 L193 | K187-E191 WeakPolarHBondContact CD-OE1 3.4Å; K187-E191 WeakPolarHBondContact CE-OE1 3.32Å; K187-E191 IonicContact NZ-OE1 2.78Å; K187-E191 PolarHBondContact NZ-OE1 2.93Å; K187-E191 WeakPolarHBondContact O-CG 3.36Å; K187-E191 PolarHBondContact O-N 3.21Å; Q188-E191 PolarHBondContact O-N 3.44Å; E191-L193 VanDerWaalsContact C-N 3.34Å |
| 192 | Q | 83.8 | Confident | 80.6 | Confident | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.3 | -16.8 | 174.6 | -70.7 | 172.3 | 10.1 | 0 | 0 | 114 | Q188 E189 I190 H194 | Q188-Q192 VanDerWaalsContact O-CG 3.29Å; Q188-Q192 WeakPolarHBondContact O-CG 3.22Å; Q188-Q192 PolarHBondContact O-N 2.88Å; Q188-Q192 VanDerWaalsContact O-N 3.15Å; E189-Q192 PolarHBondContact O-N 2.88Å; I190-Q192 PolarHBondContact O-N 2.84Å; Q192-H194 PolarHBondContact O-N 2.88Å |
| 193 | L | 81.6 | Confident | 78.6 | Confident | 57 Ų | 57 | 110.8 Ų | 110.8 | 30% | 0.298 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.3 | 174.2 | -63.9 | 175 | 0 | 0 | 0 | 112.3 | T4 L7 R8 E189 I190 E191 Q195 | T4-L193 HydrophobicContact CG2-CD2 4.03Å; T4-L193 WeakPolarHBondContact O-CD2 3.23Å; L7-L193 HydrophobicContact CB-CD1 4.15Å; L7-L193 HydrophobicContact CB-CD2 4.34Å; R8-L193 HydrophobicContact CB-CD1 4.43Å; E189-L193 PolarHBondContact O-N 3.14Å; I190-L193 WeakPolarHBondContact O-CB 3.25Å; I190-L193 PolarHBondContact O-N 2.86Å; I190-L193 VanDerWaalsContact O-N 3.08Å; E191-L193 VanDerWaalsContact C-N 3.34Å; L193-Q195 PolarHBondContact O-N 2.85Å |
| 194 | H | 76.9 | Confident | 76.7 | Confident | 130 Ų | 130 | 117.6 Ų | 117.6 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -74.7 | 126.2 | 177.9 | -60.5 | 81.6 | 0 | 0 | 0 | 109.2 | I190 Q192 R196 | I190-H194 PolarHBondContact O-ND1 2.87Å; Q192-H194 PolarHBondContact O-N 2.88Å; H194-R196 PolarHBondContact O-N 2.88Å |
| 195 | Q | 70.2 | Confident | 74.6 | Confident | 200 Ų | 200 | 122.3 Ų | 122.3 | 94% | 0.935 | 60% | 0.597 | S | S | * | * | trans | -57.6 | 112.4 | 172 | -75.9 | -178.7 | -5.7 | 0 | 0 | 109.1 | L193 | L193-Q195 PolarHBondContact O-N 2.85Š| ||
| 196 | R | 69.4 | Low | 72.3 | Confident | 146 Ų | 146 | 126.4 Ų | 126.4 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | trans | -84.2 | 121.8 | 173 | -70.7 | -177.4 | 172.4 | -173.6 | -3.5 | 107.9 | H194 F198 | H194-R196 PolarHBondContact O-N 2.88Å; R196-F198 VanDerWaalsContact C-N 3.32Å; R196-F198 HydrophobicContact CB-CD2 4.09Å; R196-F198 HydrophobicContact CB-CE1 4.07Å; R196-F198 HydrophobicContact CB-CE2 3.61Å; R196-F198 HydrophobicContact CB-CZ 3.6Å; R196-F198 HydrophobicContact CG-CZ 4.36Å; R196-F198 WeakPolarHBondContact O-CD2 3.34Å; R196-F198 PolarHBondContact O-N 3.13Å | ||
| 197 | D | 72.1 | Confident | 70.2 | Confident | 117 Ų | 117 | 120.8 Ų | 120.8 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | trans | -73.8 | 90.9 | 169.2 | -175.4 | 4.4 | 0 | 0 | 0 | 108.5 | L199 G200 | D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact OD1-N 3.24Å; D197-L199 VanDerWaalsContact OD1-N 3.13Å; D197-G200 PolarHBondContact OD1-N 3.05Å | ||
| 198 | F | 69.6 | Low | 68.3 | Low | 180 Ų | 180 | 122.5 Ų | 122.5 | 79% | 0.789 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -76.5 | -15.2 | 176.7 | -64.5 | -77.8 | 0 | 0 | 0 | 112.8 | R196 | R196-F198 VanDerWaalsContact C-N 3.32Å; R196-F198 HydrophobicContact CB-CD2 4.09Å; R196-F198 HydrophobicContact CB-CE1 4.07Å; R196-F198 HydrophobicContact CB-CE2 3.61Å; R196-F198 HydrophobicContact CB-CZ 3.6Å; R196-F198 HydrophobicContact CG-CZ 4.36Å; R196-F198 WeakPolarHBondContact O-CD2 3.34Å; R196-F198 PolarHBondContact O-N 3.13Å |
| 199 | L | 68 | Low | 66.5 | Low | 161 Ų | 161 | 120.2 Ų | 120.2 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -99.8 | -20.3 | -170.4 | -154.1 | 69.3 | 0 | 0 | 0 | 112.2 | D197 | D197-L199 VanDerWaalsContact C-N 3.26Å; D197-L199 PolarHBondContact OD1-N 3.24Å; D197-L199 VanDerWaalsContact OD1-N 3.13Å |
| 200 | G | 65.1 | Low | 64.5 | Low | 36 Ų | 36 | 123.1 Ų | 123.1 | 37% | 0.371 | 64% | 0.638 | S | S | . | * | trans | 63.5 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D197 A202 | D197-G200 PolarHBondContact OD1-N 3.05Å; G200-A202 PolarHBondContact O-N 2.89Å; G200-A202 VanDerWaalsContact O-N 3.08Å | ||
| 201 | K | 64.9 | Low | 62.6 | Low | 198 Ų | 198 | 127 Ų | 127 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -66.8 | 112.6 | 174.6 | -66.6 | -176.5 | -179.6 | -178.9 | 0 | 109.2 | K203 | K201-K203 PolarHBondContact O-N 2.82Š|
| 202 | A | 58.5 | Low | 61 | Low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | trans | -52.5 | 114.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G200 | G200-A202 PolarHBondContact O-N 2.89Å; G200-A202 VanDerWaalsContact O-N 3.08Å | ||
| 203 | K | 53.3 | Low | 59.5 | Low | 188 Ų | 188 | 126.2 Ų | 126.2 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | -94.4 | 118.4 | 169.1 | -80.8 | -176.7 | 177.1 | 177.7 | 0 | 108.1 | K201 I205 | K201-K203 PolarHBondContact O-N 2.82Å; K203-I205 PolarHBondContact O-N 3.39Å | ||
| 204 | V | 57.4 | Low | 58.3 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | trans | -67.4 | 115.3 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 205 | I | 50.2 | Low | 57.3 | Low | 160 Ų | 160 | 124.4 Ų | 124.4 | 82% | 0.821 | 68% | 0.675 | S | S | * | * | trans | -97.4 | 102.6 | 172.1 | -56.9 | 172.9 | 0 | 0 | 0 | 105.4 | K203 | K203-I205 PolarHBondContact O-N 3.39Š| ||
| 206 | S | 48.1 | Very low | 56.8 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | trans | -80 | 140 | 168 | 88.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | S | 45.7 | Very low | 55.7 | Low | 44 Ų | 44 | 118 Ų | 118 | 31% | 0.308 | 66% | 0.661 | S | S | . | * | trans | -64.3 | 142.4 | 177.7 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | I209 D212 | S207-I209 PolarHBondContact O-N 2.85Å; S207-D212 VanDerWaalsContact CB-OD2 3.23Å; S207-D212 WeakPolarHBondContact CB-OD2 3.45Å; S207-D212 WeakPolarHBondContact OG-CB 3.44Å; S207-D212 VanDerWaalsContact OG-CG 3.24Å; S207-D212 PolarHBondContact OG-OD2 3.36Å | ||
| 208 | M | 49.8 | Very low | 54.8 | Low | 188 Ų | 188 | 118 Ų | 118 | 93% | 0.926 | 66% | 0.658 | S | S | * | * | trans | -89.6 | 11.9 | 177.9 | -49.5 | -155 | -62.5 | 0 | 0 | 111.8 | P210 | M208-P210 WeakPolarHBondContact O-CD 3.41Š| ||
| 209 | I | 50.6 | Low | 54.3 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -85.8 | 119.8 | -176.9 | -59.2 | 171.9 | 0 | 0 | 0 | 107.8 | S207 N211 D212 | S207-I209 PolarHBondContact O-N 2.85Å; I209-N211 PolarHBondContact O-N 2.6Å; I209-D212 HydrophobicContact CB-CB 3.77Å; I209-D212 HydrophobicContact CG2-CB 4.04Å; I209-D212 WeakPolarHBondContact O-CB 3.2Å; I209-D212 PolarHBondContact O-N 2.9Å |
| 210 | P | 43.4 | Very low | 53.4 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 69% | 0.688 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 128.7 | 174.1 | -18.6 | 30.5 | 0 | 0 | 0 | 110.1 | M208 | M208-P210 WeakPolarHBondContact O-CD 3.41Š|
| 211 | N | 49.1 | Very low | 53.1 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 29.5 | -175.9 | -55.3 | -15.5 | 0 | 0 | 0 | 115.7 | I209 | I209-N211 PolarHBondContact O-N 2.6Š|
| 212 | D | 53.7 | Low | 52.3 | Low | 36 Ų | 36 | 114.6 Ų | 114.6 | 19% | 0.193 | 64% | 0.644 | C | S | . | * | trans | -96.4 | 100.2 | 169.3 | -174.5 | 11.6 | 0 | 0 | 0 | 111.5 | S207 I209 F214 R221 | S207-D212 VanDerWaalsContact CB-OD2 3.23Å; S207-D212 WeakPolarHBondContact CB-OD2 3.45Å; S207-D212 WeakPolarHBondContact OG-CB 3.44Å; S207-D212 VanDerWaalsContact OG-CG 3.24Å; S207-D212 PolarHBondContact OG-OD2 3.36Å; I209-D212 HydrophobicContact CB-CB 3.77Å; I209-D212 HydrophobicContact CG2-CB 4.04Å; I209-D212 WeakPolarHBondContact O-CB 3.2Å; I209-D212 PolarHBondContact O-N 2.9Å; D212-F214 PolarHBondContact O-N 2.83Å; D212-F214 WeakPolarHBondContact OD1-CB 3.38Å; D212-F214 PolarHBondContact OD1-N 3.27Å; D212-R221 IonicContact OD1-CZ 3.86Å; D212-R221 IonicContact OD1-NH2 2.7Å; D212-R221 PolarHBondContact OD1-NH2 2.89Å; D212-R221 IonicContact OD2-CZ 2.71Å; D212-R221 IonicContact OD2-NH2 3.54Å; D212-R221 PolarHBondContact OD2-NH2 2.97Å | ||
| 213 | D | 52 | Low | 51.8 | Low | 163 Ų | 163 | 118 Ų | 118 | 87% | 0.872 | 64% | 0.643 | S | S | * | * | trans | -81.6 | 7.9 | 178.1 | -62.4 | -26.9 | 0 | 0 | 0 | 112.8 | G215 | D213-G215 PolarHBondContact O-N 3.33Š| ||
| 214 | F | 56.2 | Low | 51.5 | Low | 63 Ų | 63 | 117.8 Ų | 117.8 | 28% | 0.276 | 64% | 0.642 | S | S | . | * | trans | -85.1 | 97.6 | -177.7 | -172.9 | -106.4 | 0 | 0 | 0 | 112.3 | D212 G216 R221 | D212-F214 PolarHBondContact O-N 2.83Å; D212-F214 WeakPolarHBondContact OD1-CB 3.38Å; D212-F214 PolarHBondContact OD1-N 3.27Å; F214-G216 VanDerWaalsContact CE1-O 3.22Å; F214-G216 WeakPolarHBondContact CE1-O 3.46Å; F214-G216 PolarHBondContact O-N 3.06Å; F214-R221 VanDerWaalsContact CB-NH2 3.28Å; F214-R221 HydrophobicContact CD1-CB 4.48Å; F214-R221 HydrophobicContact CD2-CB 4.48Å; F214-R221 HydrophobicContact CD2-CG 4.29Å; F214-R221 HydrophobicContact CE1-CB 3.97Å; F214-R221 HydrophobicContact CE2-CB 3.99Å; F214-R221 HydrophobicContact CE2-CG 4.24Å; F214-R221 HydrophobicContact CG-CG 4.49Å; F214-R221 HydrophobicContact CZ-CB 3.71Å; F214-R221 HydrophobicContact CZ-CG 4.38Å | ||
| 215 | G | 55.5 | Low | 50.6 | Low | 87 Ų | 87 | 117.3 Ų | 117.3 | 90% | 0.897 | 64% | 0.642 | S | S | * | * | trans | -90.1 | 64.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D213 | D213-G215 PolarHBondContact O-N 3.33Š| ||
| 216 | G | 59.5 | Low | 50.6 | Low | 46 Ų | 46 | 112.6 Ų | 112.6 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -155 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F214 E218 | F214-G216 VanDerWaalsContact CE1-O 3.22Å; F214-G216 WeakPolarHBondContact CE1-O 3.46Å; F214-G216 PolarHBondContact O-N 3.06Å; G216-E218 PolarHBondContact O-N 2.9Å |
| 217 | F | 47.6 | Very low | 50.3 | Low | 164 Ų | 164 | 115.9 Ų | 115.9 | 72% | 0.719 | 64% | 0.635 | S | S | * | * | trans | -69.1 | 122.4 | 173.6 | -108.6 | -97.2 | 0 | 0 | 0 | 109.9 | P219 L220 | F217-P219 VanDerWaalsContact C-N 3.28Å; F217-P219 WeakPolarHBondContact O-CD 3.33Å; F217-P219 VanDerWaalsContact O-N 3.09Å; F217-L220 HydrophobicContact CB-CD1 4.17Å; F217-L220 HydrophobicContact CB-CG 4.44Å; F217-L220 WeakPolarHBondContact O-CB 3.38Å; F217-L220 PolarHBondContact O-N 3.01Å | ||
| 218 | E | 52.8 | Low | 50 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -43.9 | -41.4 | -178.4 | -157.4 | 78.7 | -139.4 | 0 | 0 | 114.5 | G216 L220 R221 | G216-E218 PolarHBondContact O-N 2.9Å; E218-L220 PolarHBondContact O-N 3.36Å; E218-L220 VanDerWaalsContact O-N 3.14Å; E218-R221 WeakPolarHBondContact O-CB 3.48Å; E218-R221 PolarHBondContact O-N 3.35Å; E218-R221 IonicContact OE1-CZ 3.56Å; E218-R221 IonicContact OE1-NH1 3.58Å; E218-R221 PolarHBondContact OE1-NH1 2.83Å |
| 219 | P | 57.9 | Low | 49.5 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -65.9 | -14.9 | 178.9 | -21.5 | 34.6 | 0 | 0 | 0 | 115.2 | F217 | F217-P219 VanDerWaalsContact C-N 3.28Å; F217-P219 WeakPolarHBondContact O-CD 3.33Å; F217-P219 VanDerWaalsContact O-N 3.09Å |
| 220 | L | 49.2 | Very low | 48.9 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 72% | 0.723 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -98.9 | -1.3 | 179.8 | -61.5 | 174.9 | 0 | 0 | 0 | 112.8 | F217 E218 Q222 | F217-L220 HydrophobicContact CB-CD1 4.17Å; F217-L220 HydrophobicContact CB-CG 4.44Å; F217-L220 WeakPolarHBondContact O-CB 3.38Å; F217-L220 PolarHBondContact O-N 3.01Å; E218-L220 PolarHBondContact O-N 3.36Å; E218-L220 VanDerWaalsContact O-N 3.14Å; L220-Q222 PolarHBondContact O-N 3.22Å; L220-Q222 VanDerWaalsContact O-N 3.13Å |
| 221 | R | 58.6 | Low | 48.5 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 30% | 0.302 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -64 | 116.7 | 175.4 | -174.7 | 179.2 | -96.4 | 167.7 | -12.4 | 108.4 | D212 F214 E218 Q223 | D212-R221 IonicContact OD1-CZ 3.86Å; D212-R221 IonicContact OD1-NH2 2.7Å; D212-R221 PolarHBondContact OD1-NH2 2.89Å; D212-R221 IonicContact OD2-CZ 2.71Å; D212-R221 IonicContact OD2-NH2 3.54Å; D212-R221 PolarHBondContact OD2-NH2 2.97Å; F214-R221 VanDerWaalsContact CB-NH2 3.28Å; F214-R221 HydrophobicContact CD1-CB 4.48Å; F214-R221 HydrophobicContact CD2-CB 4.48Å; F214-R221 HydrophobicContact CD2-CG 4.29Å; F214-R221 HydrophobicContact CE1-CB 3.97Å; F214-R221 HydrophobicContact CE2-CB 3.99Å; F214-R221 HydrophobicContact CE2-CG 4.24Å; F214-R221 HydrophobicContact CG-CG 4.49Å; F214-R221 HydrophobicContact CZ-CB 3.71Å; F214-R221 HydrophobicContact CZ-CG 4.38Å; E218-R221 WeakPolarHBondContact O-CB 3.48Å; E218-R221 PolarHBondContact O-N 3.35Å; E218-R221 IonicContact OE1-CZ 3.56Å; E218-R221 IonicContact OE1-NH1 3.58Å; E218-R221 PolarHBondContact OE1-NH1 2.83Å; R221-Q223 PolarHBondContact O-N 2.84Å |
| 222 | Q | 49.8 | Very low | 47.9 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | trans | -60.5 | 111 | 175.7 | -71.1 | -178.6 | -5.7 | 0 | 0 | 109 | L220 K224 | L220-Q222 PolarHBondContact O-N 3.22Å; L220-Q222 VanDerWaalsContact O-N 3.13Å; Q222-K224 PolarHBondContact O-N 3.42Å; Q222-K224 VanDerWaalsContact O-N 3.1Å | ||
| 223 | Q | 47.3 | Very low | 47 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | trans | -68.1 | 108.1 | 174.8 | -66.7 | -173.2 | -6 | 0 | 0 | 108.1 | R221 | R221-Q223 PolarHBondContact O-N 2.84Š| ||
| 224 | K | 47.7 | Very low | 46.5 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -85.1 | 134.8 | 168.3 | -69.6 | -177.6 | -178.9 | 176.7 | 0 | 108.1 | Q222 G226 | Q222-K224 PolarHBondContact O-N 3.42Å; Q222-K224 VanDerWaalsContact O-N 3.1Å; K224-G226 PolarHBondContact O-N 3.22Å | ||
| 225 | P | 38.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -67.3 | 122.5 | 173.8 | 24.7 | -30.5 | 0 | 0 | 0 | 110.1 | ||
| 226 | G | 50.1 | Low | 45.1 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 155.3 | 160.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K224 | K224-G226 PolarHBondContact O-N 3.22Š|
| 227 | F | 41.3 | Very low | 44.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -73 | 137.7 | 169 | -74.3 | -92.4 | 0 | 0 | 0 | 109.6 | E229 | F227-E229 PolarHBondContact O-N 2.61Š| ||
| 228 | Y | 40.2 | Very low | 44.3 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | trans | -65.9 | 99.9 | 169.7 | -179.8 | -93.5 | 0 | 0 | 0 | 108.8 | P230 | Y228-P230 HydrophobicContact CE1-CB 3.94Å; Y228-P230 HydrophobicContact CE1-CG 4.28Å | ||
| 229 | E | 38.7 | Very low | 45 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -98.3 | 112.6 | 165.8 | -70.5 | -169.5 | 161.7 | 0 | 0 | 107.8 | F227 K231 | F227-E229 PolarHBondContact O-N 2.61Å; E229-K231 PolarHBondContact O-N 3.3Å | ||
| 230 | P | 37 | Very low | 45.8 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | trans | -61.2 | 112.4 | 175.6 | 21.5 | -28.6 | 0 | 0 | 0 | 108.4 | Y228 T232 | Y228-P230 HydrophobicContact CE1-CB 3.94Å; Y228-P230 HydrophobicContact CE1-CG 4.28Å; P230-T232 PolarHBondContact O-N 3.26Å | ||
| 231 | K | 35.9 | Very low | 47.3 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 81% | 0.809 | 67% | 0.674 | S | S | * | * | trans | -64.1 | 103.6 | 171.8 | -69.1 | -178.7 | 178 | -176.5 | 0 | 107.9 | E229 D233 | E229-K231 PolarHBondContact O-N 3.3Å; K231-D233 PolarHBondContact O-N 3.36Å | ||
| 232 | T | 36.8 | Very low | 48.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -81 | 83.9 | 160.5 | 56.1 | 0 | 0 | 0 | 0 | 106.5 | P230 G234 | P230-T232 PolarHBondContact O-N 3.26Å; T232-G234 PolarHBondContact O-N 2.91Å; T232-G234 VanDerWaalsContact O-N 3.09Å | ||
| 233 | D | 34.3 | Very low | 50.1 | Low | 149 Ų | 149 | 126.4 Ų | 126.4 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | trans | -58.5 | 118.3 | 162.4 | -89.6 | -30.4 | 0 | 0 | 0 | 107.1 | K231 | K231-D233 PolarHBondContact O-N 3.36Š| ||
| 234 | G | 41.3 | Very low | 51.7 | Low | 63 Ų | 63 | 126.1 Ų | 126.1 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -64.5 | 150.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T232 | T232-G234 PolarHBondContact O-N 2.91Å; T232-G234 VanDerWaalsContact O-N 3.09Å |
| 235 | V | 43.1 | Very low | 53.3 | Low | 149 Ų | 149 | 119.3 Ų | 119.3 | 90% | 0.903 | 61% | 0.613 | S | S | * | * | trans | 82.9 | 64 | 172.7 | -157.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | Q | 39.1 | Very low | 55.5 | Low | 192 Ų | 192 | 117.5 Ų | 117.5 | 90% | 0.897 | 60% | 0.601 | S | S | * | * | S | Bend | -146.4 | 135.8 | 128.5 | -111.2 | 168.1 | -0.1 | 0 | 0 | 107.8 | |||
| 237 | E | 40.6 | Very low | 57.2 | Low | 175 Ų | 175 | 115.8 Ų | 115.8 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -44.6 | 142.1 | -169.3 | -65 | 169.1 | 147.6 | 0 | 0 | 112.3 | R239 | E237-R239 PolarHBondContact O-N 3.29Š| ||
| 238 | S | 50.8 | Low | 59.2 | Low | 63 Ų | 63 | 114 Ų | 114 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | trans | -40.8 | 107.5 | 176.9 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | Y240 | S238-Y240 PolarHBondContact O-N 2.87Š| ||
| 239 | R | 67.2 | Low | 61.3 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 53% | 0.525 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -61.4 | 1.1 | -178.9 | -70.3 | -168.1 | -78 | -161.9 | -1.7 | 114 | E237 F264 L265 | E237-R239 PolarHBondContact O-N 3.29Å; R239-F264 HydrophobicContact CB-CD2 3.83Å; R239-F264 HydrophobicContact CB-CE2 3.4Å; R239-F264 HydrophobicContact CB-CZ 3.98Å; R239-F264 HydrophobicContact CG-CE2 4.33Å; R239-F264 CarbonylContact O-C 3.48Å; R239-F264 VanDerWaalsContact O-CA 3.28Å; R239-F264 WeakPolarHBondContact O-CA 3.38Å; R239-L265 PolarHBondContact O-N 2.98Å |
| 240 | Y | 74.9 | Confident | 63.2 | Low | 136 Ų | 136 | 111.1 Ų | 111.1 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 115 | 172.2 | -70.9 | -82.9 | 0 | 0 | 0 | 109.8 | S238 V263 F264 | S238-Y240 PolarHBondContact O-N 2.87Å; Y240-V263 CarbonylContact C-O 3.57Å; Y240-V263 WeakPolarHBondContact CA-O 3.34Å; Y240-F264 HydrophobicContact CD1-CB 4.14Å; Y240-F264 HydrophobicContact CD1-CD2 4.11Å; Y240-F264 HydrophobicContact CD2-CD2 4.06Å; Y240-F264 HydrophobicContact CE1-CB 3.89Å; Y240-F264 AromaticContact CE1-CD2 3.77Å; Y240-F264 HydrophobicContact CE1-CD2 3.77Å; Y240-F264 HydrophobicContact CE1-CG 4.27Å; Y240-F264 AromaticContact CE2-CD2 3.71Å; Y240-F264 HydrophobicContact CE2-CD2 3.71Å; Y240-F264 HydrophobicContact CE2-CE2 4.07Å; Y240-F264 HydrophobicContact CG-CD2 4.26Å; Y240-F264 AromaticContact CZ-CD2 3.56Å |
| 241 | M | 79.8 | Confident | 65.1 | Low | 30 Ų | 30 | 108.5 Ų | 108.5 | 15% | 0.148 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 157.6 | 176.7 | -64.2 | -71.4 | -90.1 | 0 | 0 | 110.1 | M262 V263 L265 L291 P293 | M241-M262 WeakPolarHBondContact O-CA 3.49Å; M241-V263 HydrophobicContact CB-CG2 4.22Å; M241-V263 PolarHBondContact N-O 3.11Å; M241-V263 PolarHBondContact O-N 3.41Å; M241-L265 HydrophobicContact CG-CD1 3.42Å; M241-L265 VanDerWaalsContact CG-CD1 3.42Å; M241-L265 HydrophobicContact CG-CG 3.87Å; M241-L265 HydrophobicContact SD-CD1 4.45Å; M241-L291 HydrophobicContact CB-CB 4.09Å; M241-L291 HydrophobicContact CB-CD1 4.48Å; M241-L291 HydrophobicContact CB-CD2 4.19Å; M241-L291 HydrophobicContact CE-CB 3.87Å; M241-L291 HydrophobicContact CG-CB 4.43Å; M241-P293 HydrophobicContact CE-CG 4.09Å; M241-P293 VanDerWaalsContact SD-CA 3.54Å; M241-P293 HydrophobicContact SD-CB 4.25Å; M241-P293 HydrophobicContact SD-CG 4.18Å |
| 242 | R | 82.4 | Confident | 66.7 | Low | 121 Ų | 121 | 106.3 Ų | 106.3 | 46% | 0.457 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.2 | 172.1 | -165.8 | -178.8 | -157.6 | -179.3 | 3.4 | 110.1 | G260 S261 M262 L291 E292 | R242-G260 PolarHBondContact NE-O 3.32Å; R242-S261 WeakPolarHBondContact CA-O 3.31Å; R242-M262 HydrophobicContact CB-SD 4.14Å; R242-M262 HydrophobicContact CG-SD 4.34Å; R242-L291 CarbonylContact O-C 3.51Å; R242-L291 WeakPolarHBondContact O-CA 3.39Å; R242-E292 HydrophobicContact CB-CG 3.9Å; R242-E292 PolarHBondContact N-O 2.91Å; R242-E292 PolarHBondContact O-N 3.04Å |
| 243 | V | 85.2 | Confident | 68.6 | Low | 1 Ų | 1 | 102.5 Ų | 102.5 | 1% | 0.006 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.2 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | A245 V257 G260 S261 V263 L286 L290 L291 | V243-A245 WeakPolarHBondContact CG1-O 3.01Å; V243-V257 HydrophobicContact CB-CG1 4.42Å; V243-V257 HydrophobicContact CG2-CB 4.45Å; V243-V257 HydrophobicContact CG2-CG1 3.76Å; V243-G260 WeakPolarHBondContact O-CA 3.38Å; V243-G260 PolarHBondContact O-N 3.35Å; V243-S261 PolarHBondContact N-O 2.74Å; V243-V263 HydrophobicContact CG2-CB 4.44Å; V243-V263 HydrophobicContact CG2-CG1 3.6Å; V243-V263 HydrophobicContact CG2-CG2 3.94Å; V243-L286 HydrophobicContact CG1-CD2 4.31Å; V243-L286 HydrophobicContact CG2-CD2 3.94Å; V243-L290 CarbonylContact C-O 3.52Å; V243-L290 WeakPolarHBondContact CA-O 3.11Å; V243-L291 HydrophobicContact CG2-CD2 3.89Å |
| 244 | R | 81.6 | Confident | 71 | Confident | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.5 | -43.1 | -178.4 | -75.6 | -174.4 | 163.3 | 174.5 | 4.4 | 113.5 | L290 E292 | R244-L290 PolarHBondContact N-O 2.78Å; R244-E292 HydrophobicContact CG-CB 4.2Å; R244-E292 HydrophobicContact CG-CG 3.95Å; R244-E292 IonicContact CZ-OE2 3.43Å; R244-E292 IonicContact NE-OE2 3.48Å; R244-E292 PolarHBondContact NE-OE2 2.72Å; R244-E292 IonicContact NH2-OE2 2.69Å; R244-E292 PolarHBondContact NH2-OE2 2.96Å; R244-E292 VanDerWaalsContact NH2-OE2 3.16Å |
| 245 | A | 80.3 | Confident | 73 | Confident | 40 Ų | 40 | 95.8 Ų | 95.8 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -134.3 | 146.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V243 Y247 L290 | V243-A245 WeakPolarHBondContact CG1-O 3.01Å; A245-Y247 PolarHBondContact O-N 3.31Å; A245-L290 HydrophobicContact CB-CD2 4.29Å |
| 246 | P | 85.4 | Confident | 75 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 60% | 0.597 | 47% | 0.466 | S | S | * | . | trans | -59.1 | 129.2 | 179.5 | 25.5 | -33.7 | 0 | 0 | 0 | 110.6 | V257 | P246-V257 WeakPolarHBondContact CA-O 3.43Š| ||
| 247 | Y | 85.1 | Confident | 77.2 | Confident | 25 Ų | 25 | 82.8 Ų | 82.8 | 10% | 0.098 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -111.5 | 130.5 | 177.4 | -173.4 | -106.4 | 0 | 0 | 0 | 109.9 | A245 Q254 L255 T256 V257 L286 P287 L290 | A245-Y247 PolarHBondContact O-N 3.31Å; Y247-Q254 HydrophobicContact CE1-CB 4.29Å; Y247-Q254 PolarHBondContact OH-OE1 3.2Å; Y247-L255 WeakPolarHBondContact CD1-O 3.39Å; Y247-T256 CarbonylContact O-C 3.59Å; Y247-T256 VanDerWaalsContact O-CA 3.25Å; Y247-T256 WeakPolarHBondContact O-CA 3.46Å; Y247-T256 WeakPolarHBondContact O-CG2 3.25Å; Y247-V257 PolarHBondContact N-O 2.89Å; Y247-V257 PolarHBondContact O-N 3.16Å; Y247-L286 HydrophobicContact CD1-CD1 3.85Å; Y247-L286 HydrophobicContact CD1-CG 4.26Å; Y247-L286 HydrophobicContact CG-CD1 4.22Å; Y247-L286 HydrophobicContact CG-CG 4.48Å; Y247-P287 HydrophobicContact CD2-CG 4Å; Y247-P287 HydrophobicContact CE2-CG 3.55Å; Y247-L290 HydrophobicContact CD2-CD1 3.56Å; Y247-L290 HydrophobicContact CE2-CD1 4.44Å; Y247-L290 HydrophobicContact CG-CD1 4.03Å |
| 248 | M | 83.9 | Confident | 79.3 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 64% | 0.635 | 41% | 0.406 | S | S | * | . | trans | -108.3 | 127.5 | 175.2 | -68.8 | -77.5 | 160.6 | 0 | 0 | 108.2 | R250 T256 | M248-R250 WeakPolarHBondContact O-CG 3.19Å; M248-R250 PolarHBondContact O-N 3.18Å; M248-T256 HydrophobicContact CE-CG2 3.96Å; M248-T256 HydrophobicContact SD-CG2 3.47Å; M248-T256 WeakPolarHBondContact SD-CG2 3.48Å | ||
| 249 | A | 84.4 | Confident | 80.8 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | trans | -57 | 125.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q254 T256 | A249-Q254 HydrophobicContact CB-CB 3.8Å; A249-Q254 WeakPolarHBondContact CB-O 3.4Å; A249-T256 PolarHBondContact N-OG1 3.41Å | ||
| 250 | R | 77.8 | Confident | 81.3 | Confident | 223 Ų | 223 | 71.3 Ų | 71.3 | 84% | 0.842 | 39% | 0.393 | S | S | * | . | trans | -105.5 | -7.7 | -178.9 | -59.9 | -172.8 | -180 | -175.7 | -0.7 | 113.7 | M248 | M248-R250 WeakPolarHBondContact O-CG 3.19Å; M248-R250 PolarHBondContact O-N 3.18Å | ||
| 251 | G | 76.9 | Confident | 81.6 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -157.2 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G253 Q254 | G251-G253 PolarHBondContact O-N 2.98Å; G251-Q254 PolarHBondContact O-N 3.1Å |
| 252 | P | 70 | Confident | 81.6 | Confident | 140 Ų | 140 | 69 Ų | 69 | 91% | 0.909 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 129.1 | 179.4 | 24.8 | -32.4 | 0 | 0 | 0 | 110.4 | ||
| 253 | G | 76.6 | Confident | 81.5 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -6.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G251 G284 L285 | G251-G253 PolarHBondContact O-N 2.98Å; G253-G284 CarbonylContact O-C 3.6Å; G253-G284 VanDerWaalsContact O-CA 3.23Å; G253-G284 WeakPolarHBondContact O-CA 3.48Å; G253-L285 PolarHBondContact O-N 3.24Å |
| 254 | Q | 84.5 | Confident | 81.3 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -84.4 | 146.5 | 175.5 | -63.1 | -179 | 12.3 | 0 | 0 | 112 | Y247 A249 G251 M274 L285 | Y247-Q254 HydrophobicContact CE1-CB 4.29Å; Y247-Q254 PolarHBondContact OH-OE1 3.2Å; A249-Q254 HydrophobicContact CB-CB 3.8Å; A249-Q254 WeakPolarHBondContact CB-O 3.4Å; G251-Q254 PolarHBondContact O-N 3.1Å; Q254-M274 HydrophobicContact CG-CE 4.01Å; Q254-L285 WeakPolarHBondContact CA-O 3.4Å; Q254-L285 HydrophobicContact CG-CB 4.36Å |
| 255 | L | 82.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | trans | -107.7 | 126.4 | -177 | -169.1 | 62.6 | 0 | 0 | 0 | 111.8 | Y247 V257 V277 H279 K282 L285 | Y247-L255 WeakPolarHBondContact CD1-O 3.39Å; L255-V257 HydrophobicContact CB-CG2 4.3Å; L255-V257 HydrophobicContact CD2-CG2 3.94Å; L255-V257 HydrophobicContact CG-CG2 3.85Å; L255-V257 PolarHBondContact O-N 2.88Å; L255-V277 HydrophobicContact CD2-CG2 4.11Å; L255-H279 HydrophobicContact CD2-CB 3.78Å; L255-K282 HydrophobicContact CD1-CB 3.83Å; L255-K282 WeakPolarHBondContact CD2-O 3.46Å; L255-L285 PolarHBondContact N-O 3.44Å | ||
| 256 | T | 85.8 | Confident | 80.8 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | trans | -73.8 | 119.9 | 170.9 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | Y247 M248 A249 | Y247-T256 CarbonylContact O-C 3.59Å; Y247-T256 VanDerWaalsContact O-CA 3.25Å; Y247-T256 WeakPolarHBondContact O-CA 3.46Å; Y247-T256 WeakPolarHBondContact O-CG2 3.25Å; M248-T256 HydrophobicContact CE-CG2 3.96Å; M248-T256 HydrophobicContact SD-CG2 3.47Å; M248-T256 WeakPolarHBondContact SD-CG2 3.48Å; A249-T256 PolarHBondContact N-OG1 3.41Å | ||
| 257 | V | 85.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 128.8 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | V243 P246 Y247 L255 V263 H279 L286 | V243-V257 HydrophobicContact CB-CG1 4.42Å; V243-V257 HydrophobicContact CG2-CB 4.45Å; V243-V257 HydrophobicContact CG2-CG1 3.76Å; P246-V257 WeakPolarHBondContact CA-O 3.43Å; Y247-V257 PolarHBondContact N-O 2.89Å; Y247-V257 PolarHBondContact O-N 3.16Å; L255-V257 HydrophobicContact CB-CG2 4.3Å; L255-V257 HydrophobicContact CD2-CG2 3.94Å; L255-V257 HydrophobicContact CG-CG2 3.85Å; L255-V257 PolarHBondContact O-N 2.88Å; V257-V263 HydrophobicContact CG1-CG1 3.87Å; V257-V263 HydrophobicContact CG2-CG1 4.48Å; V257-H279 HydrophobicContact CG1-CB 4.48Å; V257-H279 HydrophobicContact CG2-CB 4.03Å; V257-L286 HydrophobicContact CB-CD1 3.8Å; V257-L286 HydrophobicContact CG2-CD1 3.55Å |
| 258 | P | 83.1 | Confident | 79.2 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | trans | -62.7 | 151.2 | 174.3 | -20.3 | 32 | 0 | 0 | 0 | 113.1 | S261 | P258-S261 WeakPolarHBondContact O-CB 3.45Å; P258-S261 PolarHBondContact O-N 2.93Å; P258-S261 PolarHBondContact O-OG 3.24Å | ||
| 259 | G | 83.6 | Confident | 78.8 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 138.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 260 | G | 77.4 | Confident | 78 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -9.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R242 V243 | R242-G260 PolarHBondContact NE-O 3.32Å; V243-G260 WeakPolarHBondContact O-CA 3.38Å; V243-G260 PolarHBondContact O-N 3.35Å |
| 261 | S | 81.8 | Confident | 77.5 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | trans | -69.9 | 149.7 | 179.2 | -74.5 | 0 | 0 | 0 | 0 | 113.2 | R242 V243 P258 H279 | R242-S261 WeakPolarHBondContact CA-O 3.31Å; V243-S261 PolarHBondContact N-O 2.74Å; P258-S261 WeakPolarHBondContact O-CB 3.45Å; P258-S261 PolarHBondContact O-N 2.93Å; P258-S261 PolarHBondContact O-OG 3.24Å; S261-H279 VanDerWaalsContact CB-NE2 3.34Å; S261-H279 WeakPolarHBondContact CB-NE2 3.33Å; S261-H279 PolarHBondContact OG-NE2 3.34Å | ||
| 262 | M | 79.9 | Confident | 77.3 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.9 | 172.3 | -67.6 | -61.6 | -56.9 | 0 | 0 | 109.8 | M241 R242 A294 | M241-M262 WeakPolarHBondContact O-CA 3.49Å; R242-M262 HydrophobicContact CB-SD 4.14Å; R242-M262 HydrophobicContact CG-SD 4.34Å; M262-A294 HydrophobicContact CE-CB 3.69Å; M262-A294 HydrophobicContact SD-CB 4.14Å |
| 263 | V | 79.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.7 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | Y240 M241 V243 V257 V277 H279 L291 | Y240-V263 CarbonylContact C-O 3.57Å; Y240-V263 WeakPolarHBondContact CA-O 3.34Å; M241-V263 HydrophobicContact CB-CG2 4.22Å; M241-V263 PolarHBondContact N-O 3.11Å; M241-V263 PolarHBondContact O-N 3.41Å; V243-V263 HydrophobicContact CG2-CB 4.44Å; V243-V263 HydrophobicContact CG2-CG1 3.6Å; V243-V263 HydrophobicContact CG2-CG2 3.94Å; V257-V263 HydrophobicContact CG1-CG1 3.87Å; V257-V263 HydrophobicContact CG2-CG1 4.48Å; V263-V277 HydrophobicContact CB-CB 4.22Å; V263-V277 HydrophobicContact CB-CG1 4.45Å; V263-V277 HydrophobicContact CG2-CG1 4.25Å; V263-H279 HydrophobicContact CG1-CB 4.07Å; V263-L291 HydrophobicContact CG2-CD2 3.55Å |
| 264 | F | 79.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 20% | 0.197 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.6 | 175.1 | -178.4 | -98.9 | 0 | 0 | 0 | 110.5 | R239 Y240 F266 V277 I278 | R239-F264 HydrophobicContact CB-CD2 3.83Å; R239-F264 HydrophobicContact CB-CE2 3.4Å; R239-F264 HydrophobicContact CB-CZ 3.98Å; R239-F264 HydrophobicContact CG-CE2 4.33Å; R239-F264 CarbonylContact O-C 3.48Å; R239-F264 VanDerWaalsContact O-CA 3.28Å; R239-F264 WeakPolarHBondContact O-CA 3.38Å; Y240-F264 HydrophobicContact CD1-CB 4.14Å; Y240-F264 HydrophobicContact CD1-CD2 4.11Å; Y240-F264 HydrophobicContact CD2-CD2 4.06Å; Y240-F264 HydrophobicContact CE1-CB 3.89Å; Y240-F264 AromaticContact CE1-CD2 3.77Å; Y240-F264 HydrophobicContact CE1-CD2 3.77Å; Y240-F264 HydrophobicContact CE1-CG 4.27Å; Y240-F264 AromaticContact CE2-CD2 3.71Å; Y240-F264 HydrophobicContact CE2-CD2 3.71Å; Y240-F264 HydrophobicContact CE2-CE2 4.07Å; Y240-F264 HydrophobicContact CG-CD2 4.26Å; Y240-F264 AromaticContact CZ-CD2 3.56Å; F264-F266 HydrophobicContact CD1-CB 4.23Å; F264-F266 HydrophobicContact CE1-CB 3.91Å; F264-V277 CarbonylContact O-C 3.58Å; F264-V277 VanDerWaalsContact O-CA 3.26Å; F264-V277 WeakPolarHBondContact O-CA 3.49Å; F264-I278 HydrophobicContact CB-CB 4.32Å; F264-I278 HydrophobicContact CD1-CD1 4.2Å; F264-I278 HydrophobicContact CD1-CG1 4.35Å; F264-I278 PolarHBondContact N-O 3.14Å; F264-I278 PolarHBondContact O-N 2.96Å |
| 265 | L | 78.4 | Confident | 77.8 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.6 | 174.3 | -63.1 | 177 | 0 | 0 | 0 | 110.5 | R239 M241 I275 V277 L291 | R239-L265 PolarHBondContact O-N 2.98Å; M241-L265 HydrophobicContact CG-CD1 3.42Å; M241-L265 VanDerWaalsContact CG-CD1 3.42Å; M241-L265 HydrophobicContact CG-CG 3.87Å; M241-L265 HydrophobicContact SD-CD1 4.45Å; L265-I275 HydrophobicContact CB-CD1 4.39Å; L265-I275 HydrophobicContact CD1-CD1 4.11Å; L265-I275 HydrophobicContact CD2-CB 4.36Å; L265-I275 HydrophobicContact CD2-CD1 3.7Å; L265-I275 HydrophobicContact CD2-CG1 3.91Å; L265-I275 HydrophobicContact CD2-CG2 3.53Å; L265-I275 HydrophobicContact CG-CD1 4.28Å; L265-V277 HydrophobicContact CD2-CG1 3.63Å; L265-L291 HydrophobicContact CD2-CD1 3.43Å; L265-L291 VanDerWaalsContact CD2-CD1 3.43Å; L265-L291 HydrophobicContact CG-CD1 4.47Å |
| 266 | F | 73.6 | Confident | 77.7 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 26% | 0.259 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 120.7 | 171.5 | 70 | -75.2 | 0 | 0 | 0 | 110.4 | F264 N276 I278 R283 | F264-F266 HydrophobicContact CD1-CB 4.23Å; F264-F266 HydrophobicContact CE1-CB 3.91Å; F266-N276 HydrophobicContact CD1-CB 4.3Å; F266-N276 HydrophobicContact CD2-CB 4.46Å; F266-N276 HydrophobicContact CE1-CB 4Å; F266-N276 HydrophobicContact CE2-CB 4.17Å; F266-N276 HydrophobicContact CZ-CB 3.93Å; F266-N276 PolarHBondContact N-O 3.3Å; F266-N276 WeakPolarHBondContact O-CB 3.33Å; F266-I278 HydrophobicContact CD1-CD1 3.81Å; F266-I278 HydrophobicContact CD1-CG1 3.38Å; F266-I278 HydrophobicContact CE1-CD1 3.87Å; F266-I278 HydrophobicContact CE1-CG1 3.23Å; F266-I278 HydrophobicContact CG-CD1 4.42Å; F266-I278 HydrophobicContact CG-CG1 4.42Å; F266-I278 HydrophobicContact CZ-CG1 4.19Å; F266-R283 HydrophobicContact CE1-CG 4.33Å; F266-R283 HydrophobicContact CZ-CB 4.1Å; F266-R283 HydrophobicContact CZ-CG 3.98Å |
| 267 | G | 67.3 | Low | 77.5 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 63% | 0.629 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 100.2 | 179.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 268 | E | 70.4 | Confident | 77.2 | Confident | 172 Ų | 172 | 65.3 Ų | 65.3 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 164.6 | -176.7 | -62.8 | -176.8 | 173.9 | 0 | 0 | 111.5 | ||
| 269 | E | 74.2 | Confident | 77 | Confident | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.2 | 172.6 | 180 | 174.7 | -176 | 0 | 0 | 109.6 | G273 V288 | E269-G273 WeakPolarHBondContact OE1-CA 3.44Å; E269-V288 HydrophobicContact CB-CG2 4.35Å; E269-V288 HydrophobicContact CG-CG2 3.84Å |
| 270 | D | 69.4 | Low | 76.5 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 159.3 | 174 | -75 | -27 | 0 | 0 | 0 | 110.5 | D272 G273 M274 | D270-D272 PolarHBondContact O-N 3.47Å; D270-G273 PolarHBondContact O-N 3.37Å; D270-M274 PolarHBondContact N-O 2.98Å |
| 271 | R | 67.4 | Low | 76.2 | Confident | 258 Ų | 258 | 70.7 Ų | 70.7 | 97% | 0.974 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.7 | 179.4 | -66 | -175.8 | -176.1 | -176.8 | 1.5 | 114.3 | ||
| 272 | D | 71.4 | Confident | 75.7 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 78% | 0.781 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.7 | 179.7 | -59.4 | -38.9 | 0 | 0 | 0 | 113.7 | D270 M274 | D270-D272 PolarHBondContact O-N 3.47Å; D272-M274 VanDerWaalsContact C-N 3.35Å; D272-M274 HydrophobicContact CB-CG 4.46Å |
| 273 | G | 78.3 | Confident | 75.7 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 24% | 0.237 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 75.9 | 21.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E269 D270 V288 | E269-G273 WeakPolarHBondContact OE1-CA 3.44Å; D270-G273 PolarHBondContact O-N 3.37Å; G273-V288 PolarHBondContact O-N 3.41Å |
| 274 | M | 81.3 | Confident | 75.9 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.9 | -179.3 | -60.8 | -68.1 | -73 | 0 | 0 | 109.7 | Q254 D270 D272 L285 P287 | Q254-M274 HydrophobicContact CG-CE 4.01Å; D270-M274 PolarHBondContact N-O 2.98Å; D272-M274 VanDerWaalsContact C-N 3.35Å; D272-M274 HydrophobicContact CB-CG 4.46Å; M274-L285 HydrophobicContact CB-CB 4.43Å; M274-L285 HydrophobicContact CB-CD2 4.41Å; M274-L285 HydrophobicContact CE-CB 3.87Å; M274-P287 HydrophobicContact CE-CG 4.15Å; M274-P287 HydrophobicContact SD-CB 3.93Å; M274-P287 HydrophobicContact SD-CG 3.62Å |
| 275 | I | 81.7 | Confident | 76.1 | Confident | 17 Ų | 17 | 81 Ų | 81 | 9% | 0.087 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.6 | 178.3 | -167.4 | 161.1 | 0 | 0 | 0 | 111.3 | L265 V277 L285 L286 V288 L291 | L265-I275 HydrophobicContact CB-CD1 4.39Å; L265-I275 HydrophobicContact CD1-CD1 4.11Å; L265-I275 HydrophobicContact CD2-CB 4.36Å; L265-I275 HydrophobicContact CD2-CD1 3.7Å; L265-I275 HydrophobicContact CD2-CG1 3.91Å; L265-I275 HydrophobicContact CD2-CG2 3.53Å; L265-I275 HydrophobicContact CG-CD1 4.28Å; I275-V277 HydrophobicContact CG2-CG1 4.05Å; I275-V277 PolarHBondContact O-N 3.44Å; I275-L285 WeakPolarHBondContact O-CA 3.48Å; I275-L286 PolarHBondContact N-O 3.03Å; I275-L286 PolarHBondContact O-N 3.08Å; I275-V288 HydrophobicContact CB-CG2 3.66Å; I275-V288 HydrophobicContact CG2-CG2 3.63Å; I275-L291 HydrophobicContact CG2-CD1 3.63Å |
| 276 | N | 81.4 | Confident | 76.3 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120 | 177.7 | -78.6 | -58.5 | 0 | 0 | 0 | 110.8 | F266 L285 | F266-N276 HydrophobicContact CD1-CB 4.3Å; F266-N276 HydrophobicContact CD2-CB 4.46Å; F266-N276 HydrophobicContact CE1-CB 4Å; F266-N276 HydrophobicContact CE2-CB 4.17Å; F266-N276 HydrophobicContact CZ-CB 3.93Å; F266-N276 PolarHBondContact N-O 3.3Å; F266-N276 WeakPolarHBondContact O-CB 3.33Å; N276-L285 VanDerWaalsContact OD1-CD2 3.27Å; N276-L285 WeakPolarHBondContact OD1-CD2 3.32Å |
| 277 | V | 82.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.6 | -177.7 | -59.8 | 0 | 0 | 0 | 0 | 113 | L255 V263 F264 L265 I275 R283 G284 L286 L291 | L255-V277 HydrophobicContact CD2-CG2 4.11Å; V263-V277 HydrophobicContact CB-CB 4.22Å; V263-V277 HydrophobicContact CB-CG1 4.45Å; V263-V277 HydrophobicContact CG2-CG1 4.25Å; F264-V277 CarbonylContact O-C 3.58Å; F264-V277 VanDerWaalsContact O-CA 3.26Å; F264-V277 WeakPolarHBondContact O-CA 3.49Å; L265-V277 HydrophobicContact CD2-CG1 3.63Å; I275-V277 HydrophobicContact CG2-CG1 4.05Å; I275-V277 PolarHBondContact O-N 3.44Å; V277-R283 WeakPolarHBondContact O-CA 3.45Å; V277-G284 VanDerWaalsContact CG2-O 3.25Å; V277-G284 WeakPolarHBondContact CG2-O 3.49Å; V277-G284 PolarHBondContact N-O 3.41Å; V277-G284 PolarHBondContact O-N 3.39Å; V277-L286 HydrophobicContact CG1-CB 4.01Å; V277-L286 HydrophobicContact CG2-CB 3.69Å; V277-L286 HydrophobicContact CG2-CD1 4.38Å; V277-L291 HydrophobicContact CG1-CD1 4.45Å |
| 278 | I | 78.7 | Confident | 77.5 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 168.4 | -45.1 | -172 | 0 | 0 | 0 | 109 | F264 F266 K282 R283 | F264-I278 HydrophobicContact CB-CB 4.32Å; F264-I278 HydrophobicContact CD1-CD1 4.2Å; F264-I278 HydrophobicContact CD1-CG1 4.35Å; F264-I278 PolarHBondContact N-O 3.14Å; F264-I278 PolarHBondContact O-N 2.96Å; F266-I278 HydrophobicContact CD1-CD1 3.81Å; F266-I278 HydrophobicContact CD1-CG1 3.38Å; F266-I278 HydrophobicContact CE1-CD1 3.87Å; F266-I278 HydrophobicContact CE1-CG1 3.23Å; F266-I278 HydrophobicContact CG-CD1 4.42Å; F266-I278 HydrophobicContact CG-CG1 4.42Å; F266-I278 HydrophobicContact CZ-CG1 4.19Å; I278-K282 WeakPolarHBondContact CA-O 3.39Å; I278-R283 HydrophobicContact CD1-CG 4.3Å; I278-R283 HydrophobicContact CG1-CG 4.14Å |
| 279 | H | 78 | Confident | 78.1 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.3 | 171.4 | -178.3 | -90.7 | 0 | 0 | 0 | 109 | L255 V257 S261 V263 G281 K282 | L255-H279 HydrophobicContact CD2-CB 3.78Å; V257-H279 HydrophobicContact CG1-CB 4.48Å; V257-H279 HydrophobicContact CG2-CB 4.03Å; S261-H279 VanDerWaalsContact CB-NE2 3.34Å; S261-H279 WeakPolarHBondContact CB-NE2 3.33Å; S261-H279 PolarHBondContact OG-NE2 3.34Å; V263-H279 HydrophobicContact CG1-CB 4.07Å; H279-G281 PolarHBondContact O-N 2.87Å; H279-K282 PolarHBondContact N-O 3.04Å; H279-K282 PolarHBondContact O-N 2.78Å |
| 280 | D | 73.9 | Confident | 78.5 | Confident | 144 Ų | 144 | 69.6 Ų | 69.6 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.8 | -177.1 | -80.1 | -20.7 | 0 | 0 | 0 | 114.1 | K282 | D280-K282 PolarHBondContact O-N 3.37Å; D280-K282 VanDerWaalsContact O-N 3.1Å |
| 281 | G | 70.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -0.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H279 | H279-G281 PolarHBondContact O-N 2.87Š|
| 282 | K | 71.8 | Confident | 79.6 | Confident | 147 Ų | 147 | 57 Ų | 57 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136 | 174.5 | -63.3 | -177.7 | -177.3 | 177.2 | 0 | 110.2 | L255 I278 H279 D280 | L255-K282 HydrophobicContact CD1-CB 3.83Å; L255-K282 WeakPolarHBondContact CD2-O 3.46Å; I278-K282 WeakPolarHBondContact CA-O 3.39Å; H279-K282 PolarHBondContact N-O 3.04Å; H279-K282 PolarHBondContact O-N 2.78Å; D280-K282 PolarHBondContact O-N 3.37Å; D280-K282 VanDerWaalsContact O-N 3.1Å |
| 283 | R | 81.1 | Confident | 79.6 | Confident | 189 Ų | 189 | 54.2 Ų | 54.2 | 71% | 0.713 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.7 | 177.4 | -62.5 | -177.8 | 178.8 | 179.5 | -0 | 109.9 | F266 V277 I278 | F266-R283 HydrophobicContact CE1-CG 4.33Å; F266-R283 HydrophobicContact CZ-CB 4.1Å; F266-R283 HydrophobicContact CZ-CG 3.98Å; V277-R283 WeakPolarHBondContact O-CA 3.45Å; I278-R283 HydrophobicContact CD1-CG 4.3Å; I278-R283 HydrophobicContact CG1-CG 4.14Å |
| 284 | G | 82.1 | Confident | 78.9 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -176.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G253 V277 | G253-G284 CarbonylContact O-C 3.6Å; G253-G284 VanDerWaalsContact O-CA 3.23Å; G253-G284 WeakPolarHBondContact O-CA 3.48Å; V277-G284 VanDerWaalsContact CG2-O 3.25Å; V277-G284 WeakPolarHBondContact CG2-O 3.49Å; V277-G284 PolarHBondContact N-O 3.41Å; V277-G284 PolarHBondContact O-N 3.39Å |
| 285 | L | 84.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.7 | -173.7 | -65.2 | 166.2 | 0 | 0 | 0 | 111.9 | G253 Q254 L255 M274 I275 N276 | G253-L285 PolarHBondContact O-N 3.24Å; Q254-L285 WeakPolarHBondContact CA-O 3.4Å; Q254-L285 HydrophobicContact CG-CB 4.36Å; L255-L285 PolarHBondContact N-O 3.44Å; M274-L285 HydrophobicContact CB-CB 4.43Å; M274-L285 HydrophobicContact CB-CD2 4.41Å; M274-L285 HydrophobicContact CE-CB 3.87Å; I275-L285 WeakPolarHBondContact O-CA 3.48Å; N276-L285 VanDerWaalsContact OD1-CD2 3.27Å; N276-L285 WeakPolarHBondContact OD1-CD2 3.32Å |
| 286 | L | 83.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.7 | 174.4 | -152.6 | 106.2 | 0 | 0 | 0 | 110.2 | V243 Y247 V257 I275 V277 V288 L290 L291 | V243-L286 HydrophobicContact CG1-CD2 4.31Å; V243-L286 HydrophobicContact CG2-CD2 3.94Å; Y247-L286 HydrophobicContact CD1-CD1 3.85Å; Y247-L286 HydrophobicContact CD1-CG 4.26Å; Y247-L286 HydrophobicContact CG-CD1 4.22Å; Y247-L286 HydrophobicContact CG-CG 4.48Å; V257-L286 HydrophobicContact CB-CD1 3.8Å; V257-L286 HydrophobicContact CG2-CD1 3.55Å; I275-L286 PolarHBondContact N-O 3.03Å; I275-L286 PolarHBondContact O-N 3.08Å; V277-L286 HydrophobicContact CG1-CB 4.01Å; V277-L286 HydrophobicContact CG2-CB 3.69Å; V277-L286 HydrophobicContact CG2-CD1 4.38Å; L286-V288 PolarHBondContact O-N 3.08Å; L286-L290 HydrophobicContact CD2-CB 4.39Å; L286-L291 HydrophobicContact CD2-CD2 3.47Å; L286-L291 VanDerWaalsContact CD2-CD2 3.47Å; L286-L291 HydrophobicContact CD2-CG 4.04Å |
| 287 | P | 84.4 | Confident | 73.7 | Confident | 18 Ų | 18 | 75 Ų | 75 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 132 | 175.8 | -17.7 | 28.9 | 0 | 0 | 0 | 111.8 | Y247 M274 S289 L290 | Y247-P287 HydrophobicContact CD2-CG 4Å; Y247-P287 HydrophobicContact CE2-CG 3.55Å; M274-P287 HydrophobicContact CE-CG 4.15Å; M274-P287 HydrophobicContact SD-CB 3.93Å; M274-P287 HydrophobicContact SD-CG 3.62Å; P287-S289 PolarHBondContact O-N 3.43Å; P287-L290 HydrophobicContact CB-CD1 4.39Å; P287-L290 HydrophobicContact CB-CG 4.31Å; P287-L290 HydrophobicContact CG-CD1 4.05Å; P287-L290 PolarHBondContact O-N 3.38Å; P287-L290 VanDerWaalsContact O-N 3.1Å |
| 288 | V | 81.9 | Confident | 71.4 | Confident | 43 Ų | 43 | 85 Ų | 85 | 26% | 0.261 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -60.4 | -32.1 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | E269 G273 I275 L286 L290 L291 | E269-V288 HydrophobicContact CB-CG2 4.35Å; E269-V288 HydrophobicContact CG-CG2 3.84Å; G273-V288 PolarHBondContact O-N 3.41Å; I275-V288 HydrophobicContact CB-CG2 3.66Å; I275-V288 HydrophobicContact CG2-CG2 3.63Å; L286-V288 PolarHBondContact O-N 3.08Å; V288-L290 PolarHBondContact O-N 2.76Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.82Å |
| 289 | S | 81.9 | Confident | 69.1 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 69% | 0.685 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -59.2 | -20.1 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | P287 | P287-S289 PolarHBondContact O-N 3.43Š|
| 290 | L | 82 | Confident | 66.9 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 20% | 0.204 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -93.6 | 1.6 | 177.8 | -61 | -178.9 | 0 | 0 | 0 | 113.1 | V243 R244 A245 Y247 L286 P287 V288 | V243-L290 CarbonylContact C-O 3.52Å; V243-L290 WeakPolarHBondContact CA-O 3.11Å; R244-L290 PolarHBondContact N-O 2.78Å; A245-L290 HydrophobicContact CB-CD2 4.29Å; Y247-L290 HydrophobicContact CD2-CD1 3.56Å; Y247-L290 HydrophobicContact CE2-CD1 4.44Å; Y247-L290 HydrophobicContact CG-CD1 4.03Å; L286-L290 HydrophobicContact CD2-CB 4.39Å; P287-L290 HydrophobicContact CB-CD1 4.39Å; P287-L290 HydrophobicContact CB-CG 4.31Å; P287-L290 HydrophobicContact CG-CD1 4.05Å; P287-L290 PolarHBondContact O-N 3.38Å; P287-L290 VanDerWaalsContact O-N 3.1Å; V288-L290 PolarHBondContact O-N 2.76Å |
| 291 | L | 82.1 | Confident | 65.3 | Low | 15 Ų | 15 | 100 Ų | 100 | 8% | 0.079 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.1 | -175.8 | -61 | -179.7 | 0 | 0 | 0 | 111.9 | M241 R242 V243 V263 L265 I275 V277 L286 V288 | M241-L291 HydrophobicContact CB-CB 4.09Å; M241-L291 HydrophobicContact CB-CD1 4.48Å; M241-L291 HydrophobicContact CB-CD2 4.19Å; M241-L291 HydrophobicContact CE-CB 3.87Å; M241-L291 HydrophobicContact CG-CB 4.43Å; R242-L291 CarbonylContact O-C 3.51Å; R242-L291 WeakPolarHBondContact O-CA 3.39Å; V243-L291 HydrophobicContact CG2-CD2 3.89Å; V263-L291 HydrophobicContact CG2-CD2 3.55Å; L265-L291 HydrophobicContact CD2-CD1 3.43Å; L265-L291 VanDerWaalsContact CD2-CD1 3.43Å; L265-L291 HydrophobicContact CG-CD1 4.47Å; I275-L291 HydrophobicContact CG2-CD1 3.63Å; V277-L291 HydrophobicContact CG1-CD1 4.45Å; L286-L291 HydrophobicContact CD2-CD2 3.47Å; L286-L291 VanDerWaalsContact CD2-CD2 3.47Å; L286-L291 HydrophobicContact CD2-CG 4.04Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.82Å |
| 292 | E | 79.2 | Confident | 63.5 | Low | 56 Ų | 56 | 105.2 Ų | 105.2 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.2 | 171.4 | 65 | -180 | -171.2 | 0 | 0 | 112.8 | R242 R244 A294 | R242-E292 HydrophobicContact CB-CG 3.9Å; R242-E292 PolarHBondContact N-O 2.91Å; R242-E292 PolarHBondContact O-N 3.04Å; R244-E292 HydrophobicContact CG-CB 4.2Å; R244-E292 HydrophobicContact CG-CG 3.95Å; R244-E292 IonicContact CZ-OE2 3.43Å; R244-E292 IonicContact NE-OE2 3.48Å; R244-E292 PolarHBondContact NE-OE2 2.72Å; R244-E292 IonicContact NH2-OE2 2.69Å; R244-E292 PolarHBondContact NH2-OE2 2.96Å; R244-E292 VanDerWaalsContact NH2-OE2 3.16Å; E292-A294 PolarHBondContact O-N 3.03Å |
| 293 | P | 71.7 | Confident | 61.8 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 123.4 | 175 | -21.7 | 32.5 | 0 | 0 | 0 | 111.1 | M241 K295 | M241-P293 HydrophobicContact CE-CG 4.09Å; M241-P293 VanDerWaalsContact SD-CA 3.54Å; M241-P293 HydrophobicContact SD-CB 4.25Å; M241-P293 HydrophobicContact SD-CG 4.18Å; P293-K295 PolarHBondContact O-N 2.89Å; P293-K295 VanDerWaalsContact O-N 3.09Å |
| 294 | A | 63.6 | Low | 59.4 | Low | 27 Ų | 27 | 108.7 Ų | 108.7 | 22% | 0.223 | 54% | 0.539 | C | S | . | . | trans | -68.8 | 109.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | M262 E292 V296 | M262-A294 HydrophobicContact CE-CB 3.69Å; M262-A294 HydrophobicContact SD-CB 4.14Å; E292-A294 PolarHBondContact O-N 3.03Å; A294-V296 PolarHBondContact O-N 2.95Å | ||
| 295 | K | 49 | Very low | 57.2 | Low | 207 Ų | 207 | 114.5 Ų | 114.5 | 90% | 0.9 | 57% | 0.572 | S | S | * | * | trans | -65 | 95.7 | 173.9 | -72 | -177.3 | 179.6 | 177.6 | 0 | 109.9 | P293 K297 | P293-K295 PolarHBondContact O-N 2.89Å; P293-K295 VanDerWaalsContact O-N 3.09Å; K295-K297 PolarHBondContact O-N 2.84Å | ||
| 296 | V | 49.3 | Very low | 54.9 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | trans | -73.5 | 108.5 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | A294 K298 | A294-V296 PolarHBondContact O-N 2.95Å; V296-K298 PolarHBondContact O-N 2.86Å; V296-K298 VanDerWaalsContact O-N 3.14Å | ||
| 297 | K | 35.7 | Very low | 52.8 | Low | 196 Ų | 196 | 124.1 Ų | 124.1 | 85% | 0.852 | 64% | 0.64 | S | S | * | * | trans | -63 | 112 | 167.3 | -73.2 | -177.5 | 178 | 178.9 | 0 | 108 | K295 S299 | K295-K297 PolarHBondContact O-N 2.84Å; K297-S299 PolarHBondContact O-N 3.34Å; K297-S299 VanDerWaalsContact O-N 3.11Å | ||
| 298 | K | 34.5 | Very low | 50.7 | Low | 209 Ų | 209 | 125.5 Ų | 125.5 | 91% | 0.909 | 66% | 0.658 | S | S | * | * | trans | -69.2 | 102.3 | 172.7 | -75.4 | -177.2 | 176.3 | 177.5 | 0 | 109.3 | V296 | V296-K298 PolarHBondContact O-N 2.86Å; V296-K298 VanDerWaalsContact O-N 3.14Å | ||
| 299 | S | 31.5 | Very low | 48.5 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 141.3 | 165 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | K297 | K297-S299 PolarHBondContact O-N 3.34Å; K297-S299 VanDerWaalsContact O-N 3.11Å |
| 300 | K | 32 | Very low | 46.4 | Very low | 207 Ų | 207 | 131.7 Ų | 131.7 | 90% | 0.9 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 143.6 | -174.5 | -96.2 | 169.1 | 164.7 | 177.6 | 0 | 114.7 | ||
| 301 | K | 39.8 | Very low | 44.5 | Very low | 209 Ų | 209 | 137.2 Ų | 137.2 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 128 | 162 | -96.4 | 174.3 | 166.8 | 177.3 | 0 | 111.4 | ||
| 302 | E | 32.5 | Very low | 42.6 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -160.4 | 126.7 | 142.4 | -109.8 | 165.7 | -154.1 | 0 | 0 | 109.7 | ||||
| 303 | N | 34.9 | Very low | 41 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 39.7 | 97.4 | 164.5 | -63.8 | -13.4 | 0 | 0 | 0 | 119.8 | ||||
| 304 | R | 32.6 | Very low | 39.4 | Very low | 250 Ų | 250 | 148.1 Ų | 148.1 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -90.6 | 113.4 | 160.8 | -87.3 | -175.5 | 174.3 | 179.4 | -2.7 | 110.7 | ||||
| 305 | V | 34.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 136.7 | 150.5 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | S307 | V305-S307 PolarHBondContact O-N 2.77Š| ||
| 306 | P | 36.2 | Very low | 38 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | trans | -70 | 116.8 | 177.7 | -11.3 | 26 | 0 | 0 | 0 | 110.2 | G308 | P306-G308 VanDerWaalsContact C-N 3.32Å; P306-G308 PolarHBondContact O-N 2.87Å | ||
| 307 | S | 39.1 | Very low | 37.7 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | trans | -91.5 | 60.3 | 174.9 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | V305 | V305-S307 PolarHBondContact O-N 2.77Š| ||
| 308 | G | 39.9 | Very low | 38.1 | Very low | 48 Ų | 48 | 149.9 Ų | 149.9 | 50% | 0.495 | 80% | 0.803 | S | S | . | * | trans | -111.8 | 142.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P306 | P306-G308 VanDerWaalsContact C-N 3.32Å; P306-G308 PolarHBondContact O-N 2.87Å | ||
| 309 | I | 36.1 | Very low | 38.6 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 82% | 0.821 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128.9 | 172.8 | -57.8 | 169.5 | 0 | 0 | 0 | 108.2 | ||
| 310 | P | 38 | Very low | 38.8 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.9 | 175.9 | -14.8 | 27.9 | 0 | 0 | 0 | 111.4 | ||
| 311 | L | 43.4 | Very low | 39 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 149.4 | 172.6 | -71.3 | 166.1 | 0 | 0 | 0 | 111 | ||
| 312 | P | 41 | Very low | 38.9 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 159.1 | 176.9 | 26.7 | -32.8 | 0 | 0 | 0 | 112.3 | ||
| 313 | P | 45.5 | Very low | 39 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145.2 | -176.7 | -19.1 | 30.8 | 0 | 0 | 0 | 113.1 | D315 | P313-D315 PolarHBondContact O-N 3.12Š|
| 314 | E | 39.3 | Very low | 39 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 92.7 | 172.8 | -74.2 | -178.3 | 162.2 | 0 | 0 | 110.8 | K316 | E314-K316 PolarHBondContact O-N 3.34Š| ||
| 315 | D | 42.7 | Very low | 39 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 117.4 | 163.4 | -76.9 | -30.9 | 0 | 0 | 0 | 109 | P313 | P313-D315 PolarHBondContact O-N 3.12Š|
| 316 | K | 39.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.4 | 173.6 | -72.5 | -178.1 | 179.7 | 178.7 | 0 | 109.2 | E314 | E314-K316 PolarHBondContact O-N 3.34Š|
| 317 | P | 42.9 | Very low | 38.7 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.1 | 172.8 | 25.2 | -32 | 0 | 0 | 0 | 109.7 | S319 | P317-S319 PolarHBondContact O-N 2.99Š|
| 318 | P | 44.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.8 | 178.9 | 24 | -32.1 | 0 | 0 | 0 | 110.5 | ||
| 319 | S | 44.5 | Very low | 38.1 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140.9 | 174 | 13.6 | 0 | 0 | 0 | 0 | 110.7 | P317 | P317-S319 PolarHBondContact O-N 2.99Š|
| 320 | R | 36.1 | Very low | 38.1 | Very low | 228 Ų | 228 | 147.2 Ų | 147.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.1 | 168.6 | 173.2 | -179.9 | -90.9 | -172.7 | -6.7 | 108.8 | E322 | R320-E322 PolarHBondContact O-N 2.89Š|
| 321 | P | 35.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.4 | 178.4 | -21.4 | 30.5 | 0 | 0 | 0 | 111 | T323 | P321-T323 PolarHBondContact O-N 3.24Š|
| 322 | E | 36.9 | Very low | 37.6 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.6 | 173.4 | -67.9 | -172.7 | 163.8 | 0 | 0 | 109.6 | R320 L324 | R320-E322 PolarHBondContact O-N 2.89Å; E322-L324 PolarHBondContact O-N 3.04Å |
| 323 | T | 34.1 | Very low | 37 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 112.5 | 165.6 | 41.7 | 0 | 0 | 0 | 0 | 108.7 | P321 | P321-T323 PolarHBondContact O-N 3.24Š| ||
| 324 | L | 35.4 | Very low | 36.2 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137 | 174.7 | -80.5 | 156.7 | 0 | 0 | 0 | 111.3 | E322 | E322-L324 PolarHBondContact O-N 3.04Š|
| 325 | P | 33.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 129.4 | 175.1 | 26.8 | -30.2 | 0 | 0 | 0 | 111.3 | S327 | P325-S327 PolarHBondContact O-N 3.36Š|
| 326 | R | 32.6 | Very low | 35.1 | Very low | 255 Ų | 255 | 145.3 Ų | 145.3 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.5 | 173.6 | -156 | 176.7 | -170.2 | -173.3 | 3 | 109 | ||
| 327 | S | 30.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -109.7 | 125.6 | 178.8 | -158.3 | 0 | 0 | 0 | 0 | 112.1 | P325 | P325-S327 PolarHBondContact O-N 3.36Š| ||
| 328 | M | 31.8 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | 76.1 | 103.5 | 150 | -66.9 | 174.9 | 82 | 0 | 0 | 120.6 | ||||
| 329 | V | 34.5 | Very low | 33 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -125.9 | 136.8 | 146.4 | -177.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 330 | P | 35.9 | Very low | 32.3 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -108.2 | 173.3 | 170.7 | 42.7 | -33.2 | 0 | 0 | 0 | 111.3 | ||||
| 331 | P | 42.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | -117 | 159.2 | -89 | 34.9 | -19.5 | 0 | 0 | 0 | 112.4 | |||||
| 332 | Q | 28.4 | Very low | 31.6 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -160 | 119.8 | 146.5 | -83.7 | -135.6 | -30 | 0 | 0 | 113.8 | ||||
| 333 | V | 28.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | 55.4 | 120.3 | 139.5 | -161.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 334 | S | 29 | Very low | 30.9 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -117 | 156.4 | 162.9 | -38.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 335 | P | 33.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | -142.8 | 128.3 | 115 | 34.9 | -19 | 0 | 0 | 0 | 111.1 | |||||
| 336 | S | 25.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 109.6 | 125.1 | 69.4 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 337 | S | 28.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 142 | 144.2 | 152 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 338 | E | 25.8 | Very low | 30.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | -164.5 | 138.9 | -23.2 | -117.2 | 177.7 | 171.9 | 0 | 0 | 105.1 | ||||
| 339 | T | 30 | Very low | 30 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 73.4 | 152.7 | 151 | 53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 340 | P | 30.1 | Very low | 29.6 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -121.5 | 170.9 | -128.2 | 42.1 | -31.8 | 0 | 0 | 0 | 116.4 | |||||
| 341 | R | 25.9 | Very low | 29 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -93 | 142.8 | 163 | -64 | -174.9 | -163 | -152.2 | 3 | 111 | ||
| 342 | P | 31.4 | Very low | 28.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 145.2 | -179.9 | 30.8 | -29.5 | 0 | 0 | 0 | 112.7 | ||
| 343 | S | 27.3 | Very low | 29.3 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 155.8 | 168.6 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 344 | Y | 28.6 | Very low | 29.1 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 91% | 0.91 | 76% | 0.756 | S | S | * | * | trans | -142.5 | 94.4 | 148.3 | -84.9 | -76 | 0 | 0 | 0 | 108.7 | ||||
| 345 | N | 28.5 | Very low | 29 | Very low | 119 Ų | 119 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | 15.9 | 137.5 | 106.9 | -77 | 5.9 | 0 | 0 | 0 | 115.9 | |||||
| 346 | N | 29.8 | Very low | 28.7 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | cis | -172.5 | 139.3 | 41.7 | -105.6 | -13.3 | 0 | 0 | 0 | 107.9 | ||||
| 347 | A | 30 | Very low | 29.4 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | 83.3 | 141.8 | 87.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 348 | T | 27.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | cis | -174.3 | 165.3 | 23.4 | -14.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 349 | H | 30.3 | Very low | 29.3 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 76.4 | 137.8 | 147.2 | -66.1 | -49.1 | 0 | 0 | 0 | 119.7 | ||||
| 350 | T | 25.5 | Very low | 28.9 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | cis | -163 | 166.6 | 12.3 | -1.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 351 | K | 23.7 | Very low | 28.5 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | -116.4 | -168.2 | -172.3 | -141.7 | -168.5 | 172.4 | 177.2 | 0 | 110 | ||||
| 352 | P | 38.4 | Very low | 28.3 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | -110.4 | -150.5 | -80.1 | 31.7 | -7.5 | 0 | 0 | 0 | 111.1 | |||||
| 353 | P | 38.1 | Very low | 27.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -148.7 | -179.6 | 9 | 43.3 | -19.9 | 0 | 0 | 0 | 121.2 | ||||
| 354 | A | 24.7 | Very low | 27.8 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 79.6 | 116.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 355 | S | 27.5 | Very low | 27.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | 161.8 | 149.5 | 102.8 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 356 | G | 26.1 | Very low | 27.4 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -79.6 | -170.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 357 | P | 39.3 | Very low | 27.3 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -95.5 | 173.5 | -144.5 | 38.3 | -36.4 | 0 | 0 | 0 | 114.5 | ||||
| 358 | P | 28.5 | Very low | 27.2 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | -145.4 | 136.1 | 123.6 | 31.4 | -12.5 | 0 | 0 | 0 | 117.1 | |||||
| 359 | R | 23.4 | Very low | 27.2 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | 16.4 | 132.4 | 126.7 | -82.7 | -170 | 164.6 | 160.3 | -3.7 | 123.1 | |||||
| 360 | Y | 22.4 | Very low | 26.9 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 73.8 | 119.2 | 133.9 | -88.3 | -85.7 | 0 | 0 | 0 | 122.2 | ||||
| 361 | T | 22.8 | Very low | 26.9 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | 144.4 | 129.3 | 111.9 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 362 | A | 20.8 | Very low | 27.6 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 47.6 | 116.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 363 | N | 23.6 | Very low | 27 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 29.4 | 136.6 | 107.2 | -68.1 | 8.7 | 0 | 0 | 0 | 116.9 | |||||
| 364 | T | 24.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | -175.4 | 153.5 | 36.2 | -4.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 365 | A | 24.8 | Very low | 27.5 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 70 | 129.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 366 | S | 24.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -153.1 | 126.9 | 117.9 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 367 | N | 26.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 173.4 | 173.5 | -79 | -43.7 | 0 | 0 | 0 | 110.9 | ||||
| 368 | K | 28.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | cis | 172.6 | 144.9 | 50 | -144.1 | 165.9 | -162.8 | -177.5 | 0 | 110.3 | ||||
| 369 | A | 26.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | S | Bend | 156.9 | 125.1 | 129.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||
| 370 | G | 24.2 | Very low | 35.3 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | cis | -126.2 | 174.6 | 18.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 371 | S | 25.3 | Very low | 38.1 | Very low | 99 Ų | 99 | 114.6 Ų | 114.6 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | trans | -138.7 | 179.1 | -167.3 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 372 | P | 39.2 | Very low | 40.9 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | cis | -135.3 | 134.7 | -12 | 28.4 | -7 | 0 | 0 | 0 | 113.5 | ||||
| 373 | Q | 26 | Very low | 43.7 | Very low | 197 Ų | 197 | 108.7 Ų | 108.7 | 92% | 0.921 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -144.7 | 119.4 | 134.7 | -108.2 | 170.5 | 2.4 | 0 | 0 | 106.4 | ||
| 374 | R | 30.4 | Very low | 46.5 | Very low | 230 Ų | 230 | 101.7 Ų | 101.7 | 87% | 0.868 | 60% | 0.599 | S | S | * | * | trans | -31.3 | 126.2 | -167.6 | -82.5 | 168.6 | 166 | 167.9 | -5.5 | 114.6 | E376 | R374-E376 PolarHBondContact O-N 3.08Š| ||
| 375 | A | 42 | Very low | 48.7 | Very low | 90 Ų | 90 | 97.8 Ų | 97.8 | 74% | 0.744 | 57% | 0.572 | S | S | * | * | trans | -59.2 | 116.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | E377 | A375-E377 PolarHBondContact O-N 2.95Å; A375-E377 VanDerWaalsContact O-N 3.12Å | ||
| 376 | E | 40.8 | Very low | 51 | Low | 121 Ų | 121 | 95.6 Ų | 95.6 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | trans | -81.7 | 83.5 | 163.4 | -71.7 | -166.9 | 168.8 | 0 | 0 | 107.1 | R374 G378 S379 | R374-E376 PolarHBondContact O-N 3.08Å; E376-G378 PolarHBondContact O-N 3.47Å; E376-G378 VanDerWaalsContact O-N 3.1Å; E376-S379 PolarHBondContact O-N 3.34Å; E376-S379 PolarHBondContact O-OG 2.71Å | ||
| 377 | E | 53.2 | Low | 52.7 | Low | 195 Ų | 195 | 95.5 Ų | 95.5 | 91% | 0.911 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 112.4 | 157.8 | -80.7 | 177.3 | 160.7 | 0 | 0 | 107.3 | A375 | A375-E377 PolarHBondContact O-N 2.95Å; A375-E377 VanDerWaalsContact O-N 3.12Å |
| 378 | G | 63.1 | Low | 54.6 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 36% | 0.361 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.7 | 3.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E376 P395 L396 | E376-G378 PolarHBondContact O-N 3.47Å; E376-G378 VanDerWaalsContact O-N 3.1Å; G378-P395 CarbonylContact O-C 3.52Å; G378-P395 WeakPolarHBondContact O-CA 3.2Å; G378-L396 WeakPolarHBondContact O-CB 3.5Å; G378-L396 WeakPolarHBondContact O-CD1 3.37Å; G378-L396 VanDerWaalsContact O-CG 3.23Å; G378-L396 WeakPolarHBondContact O-CG 3.48Å; G378-L396 PolarHBondContact O-N 2.83Å |
| 379 | S | 71.1 | Confident | 56.8 | Low | 45 Ų | 45 | 90.7 Ų | 90.7 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | E376 I394 | E376-S379 PolarHBondContact O-N 3.34Å; E376-S379 PolarHBondContact O-OG 2.71Å; S379-I394 CarbonylContact C-O 3.45Å; S379-I394 WeakPolarHBondContact CA-O 3.46Å |
| 380 | V | 81.1 | Confident | 59.2 | Low | 4 Ų | 4 | 87 Ų | 87 | 2% | 0.024 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.7 | 176.7 | 155.2 | 0 | 0 | 0 | 0 | 110.4 | V382 I394 L396 V443 A447 V452 | V380-V382 HydrophobicContact CG1-CG2 4.3Å; V380-V382 PolarHBondContact O-N 3.02Å; V380-I394 PolarHBondContact N-O 3.08Å; V380-I394 PolarHBondContact O-N 3.46Å; V380-L396 HydrophobicContact CB-CD2 4.2Å; V380-L396 HydrophobicContact CB-CG 4.38Å; V380-L396 HydrophobicContact CG2-CD1 4.24Å; V380-L396 HydrophobicContact CG2-CD2 3.28Å; V380-L396 HydrophobicContact CG2-CG 3.64Å; V380-V443 HydrophobicContact CG1-CG1 4.32Å; V380-A447 HydrophobicContact CG1-CB 4.35Å; V380-A447 HydrophobicContact CG2-CB 3.98Å; V380-V452 HydrophobicContact CG1-CB 4.21Å; V380-V452 HydrophobicContact CG1-CG2 3.61Å |
| 381 | V | 80.3 | Confident | 61.9 | Low | 70 Ų | 70 | 86.3 Ų | 86.3 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 110.2 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | L392 G450 R451 V452 | V381-L392 CarbonylContact C-O 3.51Å; V381-L392 WeakPolarHBondContact CA-O 3.46Å; V381-G450 PolarHBondContact N-O 3.47Å; V381-R451 WeakPolarHBondContact O-CA 3.48Å; V381-V452 PolarHBondContact O-N 2.81Å |
| 382 | V | 82.3 | Confident | 64.6 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 112.3 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | V380 V384 A391 L392 I394 L403 V443 V452 L454 | V380-V382 HydrophobicContact CG1-CG2 4.3Å; V380-V382 PolarHBondContact O-N 3.02Å; V382-V384 HydrophobicContact CG1-CG2 3.92Å; V382-A391 WeakPolarHBondContact O-CA 3.43Å; V382-L392 PolarHBondContact N-O 3.07Å; V382-L392 PolarHBondContact O-N 3.24Å; V382-I394 HydrophobicContact CB-CD1 4.46Å; V382-I394 HydrophobicContact CG2-CB 4.29Å; V382-I394 HydrophobicContact CG2-CD1 4.11Å; V382-I394 HydrophobicContact CG2-CG1 4.42Å; V382-L403 HydrophobicContact CG1-CD1 4.41Å; V382-L403 HydrophobicContact CG2-CD1 4.33Å; V382-V443 HydrophobicContact CG2-CG1 4.21Å; V382-V452 CarbonylContact C-O 3.45Å; V382-V452 WeakPolarHBondContact CA-O 3.47Å; V382-V452 HydrophobicContact CG1-CB 4.32Å; V382-V452 HydrophobicContact CG1-CG1 4.23Å; V382-V452 HydrophobicContact CG2-CB 4.21Å; V382-L454 HydrophobicContact CG1-CD1 3.61Å; V382-L454 HydrophobicContact CG1-CG 3.96Å |
| 383 | K | 79.3 | Confident | 66.6 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.7 | 170.8 | -172.5 | -177.5 | 179.5 | -172.4 | 0 | 108.8 | H385 L390 V452 T453 L454 | K383-H385 WeakPolarHBondContact CE-NE2 3.32Å; K383-L390 CarbonylContact C-O 3.44Å; K383-L390 WeakPolarHBondContact CA-O 3.28Å; K383-V452 PolarHBondContact N-O 3.26Å; K383-T453 CarbonylContact O-C 3.12Å; K383-T453 WeakPolarHBondContact O-CA 3.39Å; K383-L454 PolarHBondContact O-N 3.01Å |
| 384 | V | 81.4 | Confident | 69.3 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.4 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 109 | V382 L390 L392 I407 L454 C456 | V382-V384 HydrophobicContact CG1-CG2 3.92Å; V384-L390 HydrophobicContact CB-CB 4.35Å; V384-L390 PolarHBondContact N-O 3.33Å; V384-L390 PolarHBondContact O-N 2.66Å; V384-L392 HydrophobicContact CG2-CD1 4.49Å; V384-I407 HydrophobicContact CG1-CG2 4.11Å; V384-I407 HydrophobicContact CG2-CD1 3.73Å; V384-I407 HydrophobicContact CG2-CG1 4.03Å; V384-L454 CarbonylContact C-O 3.57Å; V384-L454 VanDerWaalsContact CA-O 3.32Å; V384-L454 WeakPolarHBondContact CA-O 3.4Å; V384-C456 HydrophobicContact CG1-CB 3.45Å; V384-C456 VanDerWaalsContact CG1-CB 3.45Å |
| 385 | H | 70.9 | Confident | 71.8 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.3 | 170.9 | -73 | -84 | 0 | 0 | 0 | 108.8 | K383 N389 T453 L454 W455 C456 | K383-H385 WeakPolarHBondContact CE-NE2 3.32Å; H385-N389 PolarHBondContact CE1-OD1 3.32Å; H385-N389 PolarHBondContact ND1-OD1 2.8Å; H385-T453 VanDerWaalsContact CD2-CG2 3.45Å; H385-T453 WeakPolarHBondContact CD2-CG2 3.45Å; H385-L454 PolarHBondContact N-O 3.34Å; H385-W455 HydrophobicContact CB-CG 4.07Å; H385-W455 AromaticContact CD2-CE2 3.99Å; H385-W455 AromaticContact CG-NE1 3.86Å; H385-C456 PolarHBondContact O-N 3.02Å |
| 386 | Y | 73.5 | Confident | 73.3 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -127.5 | -157.9 | 173 | -178 | -115.1 | 0 | 0 | 0 | 107.9 | Y388 V411 C456 R458 | Y386-Y388 CarbonylContact C-O 2.95Å; Y386-Y388 HydrophobicContact CD1-CD1 4.18Å; Y386-Y388 AromaticContact CD1-CE1 3.86Å; Y386-Y388 HydrophobicContact CD1-CE1 3.86Å; Y386-Y388 HydrophobicContact CE1-CE1 4.14Å; Y386-Y388 PolarHBondContact N-O 2.84Å; Y386-Y388 VanDerWaalsContact N-O 3.13Å; Y386-Y388 PolarHBondContact O-N 3.04Å; Y386-V411 HydrophobicContact CD1-CG1 3.61Å; Y386-V411 HydrophobicContact CD1-CG2 4.44Å; Y386-V411 HydrophobicContact CD2-CG1 4.48Å; Y386-V411 HydrophobicContact CE1-CG1 3.33Å; Y386-V411 HydrophobicContact CE2-CG1 4.27Å; Y386-V411 HydrophobicContact CG-CG1 4.2Å; Y386-C456 HydrophobicContact CD2-CB 4.3Å; Y386-C456 WeakPolarHBondContact CD2-O 3.4Å; Y386-R458 HydrophobicContact CE2-CG 3.97Å; Y386-R458 WeakPolarHBondContact OH-CD 3.47Å |
| 387 | T | 60.8 | Low | 75 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 72% | 0.724 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -55.2 | -18.5 | 169.4 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 388 | Y | 65.9 | Low | 76.3 | Confident | 111 Ų | 111 | 50.7 Ų | 50.7 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -139.2 | 162.1 | 165.6 | 54.5 | -89.3 | 0 | 0 | 0 | 108.9 | Y386 L390 | Y386-Y388 CarbonylContact C-O 2.95Å; Y386-Y388 HydrophobicContact CD1-CD1 4.18Å; Y386-Y388 AromaticContact CD1-CE1 3.86Å; Y386-Y388 HydrophobicContact CD1-CE1 3.86Å; Y386-Y388 HydrophobicContact CE1-CE1 4.14Å; Y386-Y388 PolarHBondContact N-O 2.84Å; Y386-Y388 VanDerWaalsContact N-O 3.13Å; Y386-Y388 PolarHBondContact O-N 3.04Å; Y388-L390 HydrophobicContact CE2-CB 4.41Å |
| 389 | N | 75 | Confident | 77.1 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.3 | 177.9 | -64.8 | -37.9 | 0 | 0 | 0 | 110.3 | H385 | H385-N389 PolarHBondContact CE1-OD1 3.32Å; H385-N389 PolarHBondContact ND1-OD1 2.8Å |
| 390 | L | 78 | Confident | 77.5 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.1 | 176.6 | -178.8 | 67.8 | 0 | 0 | 0 | 110.1 | K383 V384 Y388 L392 K410 V411 | K383-L390 CarbonylContact C-O 3.44Å; K383-L390 WeakPolarHBondContact CA-O 3.28Å; V384-L390 HydrophobicContact CB-CB 4.35Å; V384-L390 PolarHBondContact N-O 3.33Å; V384-L390 PolarHBondContact O-N 2.66Å; Y388-L390 HydrophobicContact CE2-CB 4.41Å; L390-L392 HydrophobicContact CD1-CD2 4.29Å; L390-L392 HydrophobicContact CD2-CD1 4.08Å; L390-L392 HydrophobicContact CD2-CD2 3.98Å; L390-L392 HydrophobicContact CD2-CG 4.1Å; L390-L392 HydrophobicContact CG-CD2 4Å; L390-L392 HydrophobicContact CG-CG 4.12Å; L390-K410 HydrophobicContact CD1-CD 4.39Å; L390-K410 HydrophobicContact CD2-CB 3.64Å; L390-K410 HydrophobicContact CD2-CG 4.44Å; L390-V411 HydrophobicContact CD2-CG2 4.09Å |
| 391 | A | 80.2 | Confident | 77.3 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 56% | 0.562 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V382 | V382-A391 WeakPolarHBondContact O-CA 3.43Å |
| 392 | L | 81.9 | Confident | 77.3 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.5 | -177.4 | -56.4 | 176.1 | 0 | 0 | 0 | 109.3 | V381 V382 V384 L390 I394 I407 K410 | V381-L392 CarbonylContact C-O 3.51Å; V381-L392 WeakPolarHBondContact CA-O 3.46Å; V382-L392 PolarHBondContact N-O 3.07Å; V382-L392 PolarHBondContact O-N 3.24Å; V384-L392 HydrophobicContact CG2-CD1 4.49Å; L390-L392 HydrophobicContact CD1-CD2 4.29Å; L390-L392 HydrophobicContact CD2-CD1 4.08Å; L390-L392 HydrophobicContact CD2-CD2 3.98Å; L390-L392 HydrophobicContact CD2-CG 4.1Å; L390-L392 HydrophobicContact CG-CD2 4Å; L390-L392 HydrophobicContact CG-CG 4.12Å; L392-I394 HydrophobicContact CB-CD1 3.82Å; L392-I394 HydrophobicContact CB-CG1 3.92Å; L392-I394 HydrophobicContact CD1-CD1 4.03Å; L392-I407 HydrophobicContact CD1-CG1 3.6Å; L392-K410 HydrophobicContact CD2-CB 4.48Å; L392-K410 HydrophobicContact CD2-CD 3.36Å; L392-K410 HydrophobicContact CD2-CG 3.8Å |
| 393 | S | 81.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.8 | 165.3 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 394 | I | 83.6 | Confident | 77.2 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.7 | -173.4 | -60.2 | 179.6 | 0 | 0 | 0 | 109 | S379 V380 V382 L392 T398 L403 | S379-I394 CarbonylContact C-O 3.45Å; S379-I394 WeakPolarHBondContact CA-O 3.46Å; V380-I394 PolarHBondContact N-O 3.08Å; V380-I394 PolarHBondContact O-N 3.46Å; V382-I394 HydrophobicContact CB-CD1 4.46Å; V382-I394 HydrophobicContact CG2-CB 4.29Å; V382-I394 HydrophobicContact CG2-CD1 4.11Å; V382-I394 HydrophobicContact CG2-CG1 4.42Å; L392-I394 HydrophobicContact CB-CD1 3.82Å; L392-I394 HydrophobicContact CB-CG1 3.92Å; L392-I394 HydrophobicContact CD1-CD1 4.03Å; I394-T398 HydrophobicContact CG2-CG2 3.84Å; I394-T398 VanDerWaalsContact CG2-OG1 3.25Å; I394-T398 WeakPolarHBondContact CG2-OG1 3.46Å; I394-L403 HydrophobicContact CD1-CD1 3.18Å |
| 395 | P | 82.5 | Confident | 77.1 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 140.9 | 173.5 | -26.5 | 36.7 | 0 | 0 | 0 | 113.2 | G378 D397 T398 | G378-P395 CarbonylContact O-C 3.52Å; G378-P395 WeakPolarHBondContact O-CA 3.2Å; P395-D397 VanDerWaalsContact C-N 3.26Å; P395-D397 WeakPolarHBondContact CB-OD1 3.4Å; P395-D397 PolarHBondContact O-N 3.13Å; P395-T398 WeakPolarHBondContact O-CB 2.83Å; P395-T398 PolarHBondContact O-N 3Å; P395-T398 PolarHBondContact O-OG1 3.18Å |
| 396 | L | 73.8 | Confident | 77.6 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.4 | -176.3 | -86.3 | 160.5 | 0 | 0 | 0 | 112.8 | G378 V380 T398 V443 Q444 A447 | G378-L396 WeakPolarHBondContact O-CB 3.5Å; G378-L396 WeakPolarHBondContact O-CD1 3.37Å; G378-L396 VanDerWaalsContact O-CG 3.23Å; G378-L396 WeakPolarHBondContact O-CG 3.48Å; G378-L396 PolarHBondContact O-N 2.83Å; V380-L396 HydrophobicContact CB-CD2 4.2Å; V380-L396 HydrophobicContact CB-CG 4.38Å; V380-L396 HydrophobicContact CG2-CD1 4.24Å; V380-L396 HydrophobicContact CG2-CD2 3.28Å; V380-L396 HydrophobicContact CG2-CG 3.64Å; L396-T398 PolarHBondContact O-N 3.22Å; L396-V443 PolarHBondContact O-N 2.93Å; L396-Q444 HydrophobicContact CB-CB 4.42Å; L396-Q444 HydrophobicContact CD2-CB 3.9Å; L396-Q444 HydrophobicContact CD2-CG 4.16Å; L396-Q444 PolarHBondContact O-N 2.84Å; L396-Q444 VanDerWaalsContact O-N 3.1Å; L396-A447 HydrophobicContact CD2-CB 4.06Å |
| 397 | D | 76.4 | Confident | 78 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.4 | 176.9 | 65.3 | -31 | 0 | 0 | 0 | 113 | P395 P399 | P395-D397 VanDerWaalsContact C-N 3.26Å; P395-D397 WeakPolarHBondContact CB-OD1 3.4Å; P395-D397 PolarHBondContact O-N 3.13Å; D397-P399 WeakPolarHBondContact O-CD 3.3Å |
| 398 | T | 80.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | trans | -66.8 | 124.1 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | I394 P395 L396 K402 L403 V443 | I394-T398 HydrophobicContact CG2-CG2 3.84Å; I394-T398 VanDerWaalsContact CG2-OG1 3.25Å; I394-T398 WeakPolarHBondContact CG2-OG1 3.46Å; P395-T398 WeakPolarHBondContact O-CB 2.83Å; P395-T398 PolarHBondContact O-N 3Å; P395-T398 PolarHBondContact O-OG1 3.18Å; L396-T398 PolarHBondContact O-N 3.22Å; T398-K402 HydrophobicContact CG2-CB 3.92Å; T398-K402 HydrophobicContact CG2-CG 4.24Å; T398-L403 HydrophobicContact CG2-CB 4.33Å; T398-V443 WeakPolarHBondContact O-CG2 3.16Å; T398-V443 PolarHBondContact O-N 2.9Å; T398-V443 VanDerWaalsContact O-N 3.1Å | ||
| 399 | P | 79.8 | Confident | 79.6 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 154.6 | 174.9 | 30.4 | -35.2 | 0 | 0 | 0 | 111 | D397 H401 K402 L403 | D397-P399 WeakPolarHBondContact O-CD 3.3Å; P399-H401 VanDerWaalsContact C-N 3.3Å; P399-H401 WeakPolarHBondContact CG-CE1 3.38Å; P399-H401 PolarHBondContact O-N 3.36Å; P399-K402 HydrophobicContact CG-CB 3.99Å; P399-K402 PolarHBondContact O-N 3.05Å; P399-K402 VanDerWaalsContact O-N 3.08Å; P399-L403 PolarHBondContact O-N 2.89Å |
| 400 | Y | 78.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -33.6 | -173.5 | -64.9 | -19.8 | 0 | 0 | 0 | 114.8 | K402 L403 K404 L433 P434 H441 T442 V443 L446 | Y400-K402 VanDerWaalsContact C-N 3.35Å; Y400-K402 PolarHBondContact O-N 3.43Å; Y400-L403 HydrophobicContact CD1-CD2 4.41Å; Y400-L403 WeakPolarHBondContact O-CB 3.37Å; Y400-L403 PolarHBondContact O-N 3.26Å; Y400-K404 WeakPolarHBondContact O-CB 3.49Å; Y400-K404 PolarHBondContact O-N 3.04Å; Y400-L433 HydrophobicContact CD2-CD2 4.31Å; Y400-L433 HydrophobicContact CE2-CD2 4.13Å; Y400-P434 HydrophobicContact CD2-CG 4.34Å; Y400-P434 HydrophobicContact CE2-CG 4.07Å; Y400-H441 HydrophobicContact CD2-CB 3.86Å; Y400-H441 HydrophobicContact CE2-CB 3.34Å; Y400-T442 VanDerWaalsContact CE1-C 3.4Å; Y400-T442 WeakPolarHBondContact CE1-O 3.32Å; Y400-T442 PolarHBondContact OH-O 2.86Å; Y400-V443 HydrophobicContact CD1-CG2 4.31Å; Y400-V443 HydrophobicContact CE1-CG2 4.46Å; Y400-L446 HydrophobicContact CD1-CD1 4.23Å; Y400-L446 HydrophobicContact CE1-CD1 3.4Å; Y400-L446 HydrophobicContact CE1-CG 4.01Å; Y400-L446 VanDerWaalsContact OH-CG 3.31Å; Y400-L446 WeakPolarHBondContact OH-CG 3.32Å |
| 401 | H | 77.2 | Confident | 79.7 | Confident | 102 Ų | 102 | 56 Ų | 56 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.2 | 67.3 | -93.9 | 0 | 0 | 0 | 111.7 | P399 K404 E405 | P399-H401 VanDerWaalsContact C-N 3.3Å; P399-H401 WeakPolarHBondContact CG-CE1 3.38Å; P399-H401 PolarHBondContact O-N 3.36Å; H401-K404 WeakPolarHBondContact O-CB 3.13Å; H401-K404 PolarHBondContact O-N 3.35Å; H401-E405 WeakPolarHBondContact O-CG 3.48Å; H401-E405 PolarHBondContact O-N 2.89Å |
| 402 | K | 80.1 | Confident | 79.3 | Confident | 103 Ų | 103 | 55.6 Ų | 55.6 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.6 | -30.7 | -179.8 | -163.9 | 169.3 | -171.5 | 173.3 | 0 | 112.1 | T398 P399 Y400 R406 | T398-K402 HydrophobicContact CG2-CB 3.92Å; T398-K402 HydrophobicContact CG2-CG 4.24Å; P399-K402 HydrophobicContact CG-CB 3.99Å; P399-K402 PolarHBondContact O-N 3.05Å; P399-K402 VanDerWaalsContact O-N 3.08Å; Y400-K402 VanDerWaalsContact C-N 3.35Å; Y400-K402 PolarHBondContact O-N 3.43Å; K402-R406 WeakPolarHBondContact O-CG 3.23Å; K402-R406 PolarHBondContact O-N 2.79Å; K402-R406 VanDerWaalsContact O-N 3.12Å |
| 403 | L | 81.9 | Confident | 79 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 167.9 | 170.2 | 64.2 | 0 | 0 | 0 | 110.9 | V382 I394 T398 P399 Y400 R406 I407 V443 L454 | V382-L403 HydrophobicContact CG1-CD1 4.41Å; V382-L403 HydrophobicContact CG2-CD1 4.33Å; I394-L403 HydrophobicContact CD1-CD1 3.18Å; T398-L403 HydrophobicContact CG2-CB 4.33Å; P399-L403 PolarHBondContact O-N 2.89Å; Y400-L403 HydrophobicContact CD1-CD2 4.41Å; Y400-L403 WeakPolarHBondContact O-CB 3.37Å; Y400-L403 PolarHBondContact O-N 3.26Å; L403-R406 PolarHBondContact O-N 2.82Å; L403-I407 HydrophobicContact CD1-CD1 3.75Å; L403-I407 HydrophobicContact CD1-CG1 4.26Å; L403-I407 HydrophobicContact CG-CD1 3.93Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.34Å; L403-I407 PolarHBondContact O-N 3.4Å; L403-V443 HydrophobicContact CB-CG2 4.16Å; L403-V443 HydrophobicContact CD1-CG2 4.4Å; L403-V443 HydrophobicContact CD2-CG2 3.53Å; L403-V443 HydrophobicContact CG-CG2 4.23Å; L403-L454 HydrophobicContact CD2-CD1 3.69Å; L403-L454 HydrophobicContact CG-CD1 4.4Å |
| 404 | K | 78.1 | Confident | 78.7 | Confident | 41 Ų | 41 | 57 Ų | 57 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 178.6 | -168.4 | -170.4 | -172.5 | -160.1 | 0 | 111.8 | Y400 H401 I407 A408 A415 L418 L420 E436 | Y400-K404 WeakPolarHBondContact O-CB 3.49Å; Y400-K404 PolarHBondContact O-N 3.04Å; H401-K404 WeakPolarHBondContact O-CB 3.13Å; H401-K404 PolarHBondContact O-N 3.35Å; K404-I407 PolarHBondContact O-N 2.84Å; K404-A408 WeakPolarHBondContact O-CB 3.25Å; K404-A408 PolarHBondContact O-N 2.88Å; K404-A415 WeakPolarHBondContact CE-O 3.29Å; K404-A415 PolarHBondContact NZ-O 2.77Å; K404-L418 WeakPolarHBondContact CE-O 3.47Å; K404-L420 HydrophobicContact CB-CD1 3.91Å; K404-L420 HydrophobicContact CG-CD1 3.99Å; K404-L420 HydrophobicContact CG-CG 4.41Å; K404-E436 IonicContact NZ-OE1 3.17Å; K404-E436 PolarHBondContact NZ-OE1 2.87Å |
| 405 | E | 80.6 | Confident | 78 | Confident | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 173.9 | -74 | 175.1 | 172.1 | 0 | 0 | 112.5 | H401 I407 A408 E409 A415 | H401-E405 WeakPolarHBondContact O-CG 3.48Å; H401-E405 PolarHBondContact O-N 2.89Å; E405-I407 VanDerWaalsContact C-N 3.3Å; E405-I407 PolarHBondContact O-N 2.8Å; E405-A408 WeakPolarHBondContact O-CA 3.43Å; E405-A408 WeakPolarHBondContact O-CB 3.41Å; E405-A408 PolarHBondContact O-N 2.77Å; E405-E409 WeakPolarHBondContact O-CG 3.45Å; E405-E409 PolarHBondContact O-N 3.36Å; E405-A415 HydrophobicContact CG-CB 3.9Å |
| 406 | R | 81.4 | Confident | 77.1 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 178.8 | -76.3 | -161.2 | 174.2 | -164.3 | 1.4 | 113.5 | K402 L403 K410 | K402-R406 WeakPolarHBondContact O-CG 3.23Å; K402-R406 PolarHBondContact O-N 2.79Å; K402-R406 VanDerWaalsContact O-N 3.12Å; L403-R406 PolarHBondContact O-N 2.82Å; R406-K410 WeakPolarHBondContact O-CG 3.46Å; R406-K410 PolarHBondContact O-N 2.95Å |
| 407 | I | 80.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 172.8 | -67.3 | 167.8 | 0 | 0 | 0 | 109.6 | V384 L392 L403 K404 E405 K410 V411 L418 L420 L454 | V384-I407 HydrophobicContact CG1-CG2 4.11Å; V384-I407 HydrophobicContact CG2-CD1 3.73Å; V384-I407 HydrophobicContact CG2-CG1 4.03Å; L392-I407 HydrophobicContact CD1-CG1 3.6Å; L403-I407 HydrophobicContact CD1-CD1 3.75Å; L403-I407 HydrophobicContact CD1-CG1 4.26Å; L403-I407 HydrophobicContact CG-CD1 3.93Å; L403-I407 VanDerWaalsContact O-CG1 3.3Å; L403-I407 WeakPolarHBondContact O-CG1 3.34Å; L403-I407 PolarHBondContact O-N 3.4Å; K404-I407 PolarHBondContact O-N 2.84Å; E405-I407 VanDerWaalsContact C-N 3.3Å; E405-I407 PolarHBondContact O-N 2.8Å; I407-K410 PolarHBondContact O-N 2.78Å; I407-V411 HydrophobicContact CG2-CG2 4.17Å; I407-V411 WeakPolarHBondContact O-CB 3.42Å; I407-V411 WeakPolarHBondContact O-CG2 3.36Å; I407-V411 PolarHBondContact O-N 2.87Å; I407-L418 HydrophobicContact CG2-CD1 4.35Å; I407-L420 HydrophobicContact CD1-CD1 3.81Å; I407-L420 HydrophobicContact CD1-CD2 4.02Å; I407-L420 HydrophobicContact CG2-CD2 4.33Å; I407-L454 HydrophobicContact CD1-CD1 4.03Å |
| 408 | A | 80.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K404 E405 K410 V411 G412 Q413 A415 L418 | K404-A408 WeakPolarHBondContact O-CB 3.25Å; K404-A408 PolarHBondContact O-N 2.88Å; E405-A408 WeakPolarHBondContact O-CA 3.43Å; E405-A408 WeakPolarHBondContact O-CB 3.41Å; E405-A408 PolarHBondContact O-N 2.77Å; A408-K410 PolarHBondContact O-N 3.44Å; A408-V411 CarbonylContact O-C 3.58Å; A408-V411 PolarHBondContact O-N 3.23Å; A408-G412 PolarHBondContact O-N 2.94Å; A408-Q413 CarbonylContact C-O 3.55Å; A408-Q413 WeakPolarHBondContact CB-O 3.36Å; A408-Q413 PolarHBondContact O-N 3.02Å; A408-A415 HydrophobicContact CB-CB 3.88Å; A408-L418 VanDerWaalsContact CA-CD1 3.42Å; A408-L418 HydrophobicContact CB-CD1 3.6Å; A408-L418 HydrophobicContact CB-CG 4.49Å |
| 409 | E | 80.9 | Confident | 75.6 | Confident | 149 Ų | 149 | 62 Ų | 62 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.6 | -45.5 | 175.5 | -73.1 | 177.3 | 172.5 | 0 | 0 | 112 | E405 V411 G412 | E405-E409 WeakPolarHBondContact O-CG 3.45Å; E405-E409 PolarHBondContact O-N 3.36Å; E409-V411 VanDerWaalsContact C-N 3.35Å; E409-G412 PolarHBondContact O-N 2.78Å |
| 410 | K | 79.4 | Confident | 75.2 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.9 | -30.1 | -179.9 | -72.9 | -113.1 | -168.3 | 155.9 | 0 | 113.3 | L390 L392 R406 I407 A408 G412 | L390-K410 HydrophobicContact CD1-CD 4.39Å; L390-K410 HydrophobicContact CD2-CB 3.64Å; L390-K410 HydrophobicContact CD2-CG 4.44Å; L392-K410 HydrophobicContact CD2-CB 4.48Å; L392-K410 HydrophobicContact CD2-CD 3.36Å; L392-K410 HydrophobicContact CD2-CG 3.8Å; R406-K410 WeakPolarHBondContact O-CG 3.46Å; R406-K410 PolarHBondContact O-N 2.95Å; I407-K410 PolarHBondContact O-N 2.78Å; A408-K410 PolarHBondContact O-N 3.44Å; K410-G412 VanDerWaalsContact C-N 3.35Å |
| 411 | V | 76.1 | Confident | 74.8 | Confident | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -88.1 | -8.8 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | Y386 L390 I407 A408 E409 Q413 | Y386-V411 HydrophobicContact CD1-CG1 3.61Å; Y386-V411 HydrophobicContact CD1-CG2 4.44Å; Y386-V411 HydrophobicContact CD2-CG1 4.48Å; Y386-V411 HydrophobicContact CE1-CG1 3.33Å; Y386-V411 HydrophobicContact CE2-CG1 4.27Å; Y386-V411 HydrophobicContact CG-CG1 4.2Å; L390-V411 HydrophobicContact CD2-CG2 4.09Å; I407-V411 HydrophobicContact CG2-CG2 4.17Å; I407-V411 WeakPolarHBondContact O-CB 3.42Å; I407-V411 WeakPolarHBondContact O-CG2 3.36Å; I407-V411 PolarHBondContact O-N 2.87Å; A408-V411 CarbonylContact O-C 3.58Å; A408-V411 PolarHBondContact O-N 3.23Å; E409-V411 VanDerWaalsContact C-N 3.35Å; V411-Q413 HydrophobicContact CG1-CG 4.17Å |
| 412 | G | 72.1 | Confident | 74.5 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A408 E409 K410 | A408-G412 PolarHBondContact O-N 2.94Å; E409-G412 PolarHBondContact O-N 2.78Å; K410-G412 VanDerWaalsContact C-N 3.35Å |
| 413 | Q | 74.6 | Confident | 73.7 | Confident | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -132.7 | 166.5 | -178.3 | -64.7 | -67.5 | -49.5 | 0 | 0 | 110.8 | A408 V411 L418 R458 | A408-Q413 CarbonylContact C-O 3.55Å; A408-Q413 WeakPolarHBondContact CB-O 3.36Å; A408-Q413 PolarHBondContact O-N 3.02Å; V411-Q413 HydrophobicContact CG1-CG 4.17Å; Q413-L418 HydrophobicContact CB-CD2 4.16Å; Q413-L418 HydrophobicContact CB-CG 4.45Å; Q413-R458 HydrophobicContact CG-CG 4.41Å |
| 414 | S | 74.8 | Confident | 72.5 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | trans | -74.5 | 140.6 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | S416 Q417 | S414-S416 PolarHBondContact O-N 3.34Å; S414-S416 PolarHBondContact OG-N 2.74Å; S414-S416 PolarHBondContact OG-OG 3.21Å; S414-Q417 WeakPolarHBondContact O-CB 3.13Å; S414-Q417 PolarHBondContact O-N 2.99Å | ||
| 415 | A | 69.1 | Low | 71.2 | Confident | 26 Ų | 26 | 66 Ų | 66 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.7 | -26.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K404 E405 A408 Q417 | K404-A415 WeakPolarHBondContact CE-O 3.29Å; K404-A415 PolarHBondContact NZ-O 2.77Å; E405-A415 HydrophobicContact CG-CB 3.9Å; A408-A415 HydrophobicContact CB-CB 3.88Å; A415-Q417 VanDerWaalsContact C-N 3.25Å; A415-Q417 PolarHBondContact O-N 3.39Å |
| 416 | S | 64.3 | Low | 69.7 | Low | 84 Ų | 84 | 65.5 Ų | 65.5 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -66.9 | -25.1 | 173.4 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | S414 | S414-S416 PolarHBondContact O-N 3.34Å; S414-S416 PolarHBondContact OG-N 2.74Å; S414-S416 PolarHBondContact OG-OG 3.21Å |
| 417 | Q | 62.2 | Low | 68 | Low | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -94.8 | 2.6 | -174.6 | -65.9 | 174 | -27.1 | 0 | 0 | 113.4 | S414 A415 R458 E459 | S414-Q417 WeakPolarHBondContact O-CB 3.13Å; S414-Q417 PolarHBondContact O-N 2.99Å; A415-Q417 VanDerWaalsContact C-N 3.25Å; A415-Q417 PolarHBondContact O-N 3.39Å; Q417-R458 CarbonylContact O-C 3.51Å; Q417-R458 WeakPolarHBondContact O-CA 3.2Å; Q417-E459 PolarHBondContact O-N 2.89Å |
| 418 | L | 67.3 | Low | 66.5 | Low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.6 | -177.7 | -62.4 | -173.9 | 0 | 0 | 0 | 111.3 | K404 I407 A408 Q413 R458 | K404-L418 WeakPolarHBondContact CE-O 3.47Å; I407-L418 HydrophobicContact CG2-CD1 4.35Å; A408-L418 VanDerWaalsContact CA-CD1 3.42Å; A408-L418 HydrophobicContact CB-CD1 3.6Å; A408-L418 HydrophobicContact CB-CG 4.49Å; Q413-L418 HydrophobicContact CB-CD2 4.16Å; Q413-L418 HydrophobicContact CB-CG 4.45Å; L418-R458 HydrophobicContact CD2-CG 3.72Å |
| 419 | R | 67.6 | Low | 64.9 | Low | 130 Ų | 130 | 75.7 Ų | 75.7 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.5 | 167.1 | -70.7 | -171.6 | 178.1 | -175.5 | 1.2 | 109.7 | C456 Q457 | R419-C456 WeakPolarHBondContact O-CA 3.39Å; R419-Q457 PolarHBondContact N-O 3.12Å; R419-Q457 PolarHBondContact O-N 2.9Å |
| 420 | L | 71.8 | Confident | 63.7 | Low | 13 Ų | 13 | 70.5 Ų | 70.5 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.1 | 179.4 | -65.3 | -179.5 | 0 | 0 | 0 | 109.3 | K404 I407 L433 W455 C456 | K404-L420 HydrophobicContact CB-CD1 3.91Å; K404-L420 HydrophobicContact CG-CD1 3.99Å; K404-L420 HydrophobicContact CG-CG 4.41Å; I407-L420 HydrophobicContact CD1-CD1 3.81Å; I407-L420 HydrophobicContact CD1-CD2 4.02Å; I407-L420 HydrophobicContact CG2-CD2 4.33Å; L420-L433 HydrophobicContact CB-CD1 3.41Å; L420-L433 VanDerWaalsContact CB-CD1 3.41Å; L420-L433 HydrophobicContact CB-CG 4.15Å; L420-L433 HydrophobicContact CD1-CD1 3.95Å; L420-L433 HydrophobicContact CG-CD1 4.35Å; L420-L433 PolarHBondContact O-N 2.96Å; L420-W455 WeakPolarHBondContact CA-O 3.39Å; L420-C456 HydrophobicContact CD2-CB 3.63Å |
| 421 | R | 70.4 | Confident | 62.5 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 18% | 0.181 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.3 | 176.2 | -56.3 | -169 | -177.3 | -159.3 | 2.7 | 110.5 | L430 L431 L454 W455 | R421-L430 HydrophobicContact CB-CB 4.22Å; R421-L431 CarbonylContact C-O 3.48Å; R421-L431 WeakPolarHBondContact CA-O 3.46Å; R421-L431 WeakPolarHBondContact CB-O 3.42Å; R421-L454 CarbonylContact O-C 3.51Å; R421-L454 WeakPolarHBondContact O-CA 3.26Å; R421-W455 PolarHBondContact N-O 3.04Å; R421-W455 PolarHBondContact O-N 2.87Å |
| 422 | H | 70 | Confident | 61.7 | Low | 26 Ų | 26 | 70.8 Ų | 70.8 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 162.4 | 176.3 | 78.4 | 100.3 | 0 | 0 | 0 | 111 | L431 L433 L446 L454 | H422-L431 PolarHBondContact N-O 2.8Å; H422-L431 PolarHBondContact O-N 3.24Å; H422-L433 HydrophobicContact CB-CD2 4.48Å; H422-L446 HydrophobicContact CB-CD2 4.17Å; H422-L446 WeakPolarHBondContact ND1-CD2 3.47Å; H422-L454 HydrophobicContact CB-CD2 3.82Å |
| 423 | K | 63.3 | Low | 61.3 | Low | 97 Ų | 97 | 69.1 Ų | 69.1 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128 | 179.5 | -170.4 | 174.2 | -177.6 | 168.5 | 0 | 108.9 | S427 L430 W455 | K423-S427 WeakPolarHBondContact CE-O 3.26Å; K423-S427 WeakPolarHBondContact CG-O 3.24Å; K423-L430 HydrophobicContact CB-CD2 4.27Å; K423-W455 HydrophobicContact CB-CH2 4.17Å; K423-W455 HydrophobicContact CB-CZ3 3.82Å; K423-W455 HydrophobicContact CD-CH2 4.41Å |
| 424 | Q | 57.5 | Low | 60.5 | Low | 107 Ų | 107 | 69.2 Ų | 69.2 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | trans | -80.6 | 149.4 | 173.7 | -70.4 | -177.7 | -1.8 | 0 | 0 | 110.8 | G426 S427 L431 | Q424-G426 PolarHBondContact O-N 3.03Å; Q424-G426 VanDerWaalsContact O-N 3.12Å; Q424-S427 PolarHBondContact O-N 2.86Å; Q424-S427 VanDerWaalsContact O-N 3.1Å; Q424-L431 HydrophobicContact CG-CD1 4.03Å | ||
| 425 | S | 50.2 | Low | 59.4 | Low | 100 Ų | 100 | 69.2 Ų | 69.2 | 70% | 0.699 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 116.9 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 426 | G | 49.2 | Very low | 58.5 | Low | 86 Ų | 86 | 75.1 Ų | 75.1 | 89% | 0.887 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q424 | Q424-G426 PolarHBondContact O-N 3.03Å; Q424-G426 VanDerWaalsContact O-N 3.12Å |
| 427 | S | 47.4 | Very low | 57.8 | Low | 43 Ų | 43 | 80.4 Ų | 80.4 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | trans | -91.3 | 143.5 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | K423 Q424 V429 | K423-S427 WeakPolarHBondContact CE-O 3.26Å; K423-S427 WeakPolarHBondContact CG-O 3.24Å; Q424-S427 PolarHBondContact O-N 2.86Å; Q424-S427 VanDerWaalsContact O-N 3.1Å; S427-V429 PolarHBondContact OG-N 2.91Å; S427-V429 VanDerWaalsContact OG-N 3.14Å | ||
| 428 | R | 48.5 | Very low | 57.3 | Low | 217 Ų | 217 | 83 Ų | 83 | 82% | 0.819 | 44% | 0.444 | S | S | * | . | trans | -86 | -10.9 | 170.4 | -71.5 | -173.1 | 177 | -165.7 | 0.9 | 113.1 | ||||
| 429 | V | 45.9 | Very low | 56.4 | Low | 72 Ų | 72 | 89 Ų | 89 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -84.4 | 135.1 | -173 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | S427 L431 | S427-V429 PolarHBondContact OG-N 2.91Å; S427-V429 VanDerWaalsContact OG-N 3.14Å; V429-L431 HydrophobicContact CG1-CD2 4.43Å |
| 430 | L | 55.5 | Low | 55.9 | Low | 40 Ų | 40 | 85.5 Ų | 85.5 | 21% | 0.209 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.2 | 173.9 | -71.1 | 172.9 | 0 | 0 | 0 | 110 | R421 K423 W455 | R421-L430 HydrophobicContact CB-CB 4.22Å; K423-L430 HydrophobicContact CB-CD2 4.27Å; L430-W455 HydrophobicContact CD1-CG 4.44Å; L430-W455 HydrophobicContact CD2-CD2 3.7Å; L430-W455 HydrophobicContact CD2-CE3 3.51Å; L430-W455 HydrophobicContact CD2-CG 4.15Å; L430-W455 HydrophobicContact CD2-CZ3 3.98Å |
| 431 | L | 54.4 | Low | 55.5 | Low | 60 Ų | 60 | 87.9 Ų | 87.9 | 31% | 0.314 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.9 | 178.2 | -64.6 | 173.2 | 0 | 0 | 0 | 110.5 | R421 H422 Q424 V429 | R421-L431 CarbonylContact C-O 3.48Å; R421-L431 WeakPolarHBondContact CA-O 3.46Å; R421-L431 WeakPolarHBondContact CB-O 3.42Å; H422-L431 PolarHBondContact N-O 2.8Å; H422-L431 PolarHBondContact O-N 3.24Å; Q424-L431 HydrophobicContact CG-CD1 4.03Å; V429-L431 HydrophobicContact CG1-CD2 4.43Å |
| 432 | P | 59.6 | Low | 55.7 | Low | 86 Ų | 86 | 87.4 Ų | 87.4 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 142.7 | 171.4 | 27.7 | -32.6 | 0 | 0 | 0 | 110 | ||
| 433 | L | 64.6 | Low | 55.6 | Low | 24 Ų | 24 | 86.1 Ų | 86.1 | 13% | 0.126 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 134.3 | 166.7 | -71.9 | 176.1 | 0 | 0 | 0 | 108.6 | Y400 L420 H422 G435 L446 L454 | Y400-L433 HydrophobicContact CD2-CD2 4.31Å; Y400-L433 HydrophobicContact CE2-CD2 4.13Å; L420-L433 HydrophobicContact CB-CD1 3.41Å; L420-L433 VanDerWaalsContact CB-CD1 3.41Å; L420-L433 HydrophobicContact CB-CG 4.15Å; L420-L433 HydrophobicContact CD1-CD1 3.95Å; L420-L433 HydrophobicContact CG-CD1 4.35Å; L420-L433 PolarHBondContact O-N 2.96Å; H422-L433 HydrophobicContact CB-CD2 4.48Å; L433-G435 PolarHBondContact O-N 2.75Å; L433-L446 HydrophobicContact CD2-CD1 3.49Å; L433-L446 VanDerWaalsContact CD2-CD1 3.49Å; L433-L446 HydrophobicContact CD2-CD2 4.09Å; L433-L446 HydrophobicContact CD2-CG 4.4Å; L433-L454 HydrophobicContact CD1-CD2 4.42Å |
| 434 | P | 56.8 | Low | 55.8 | Low | 59 Ų | 59 | 87.4 Ų | 87.4 | 38% | 0.383 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 132.8 | 178.5 | 19.2 | -28.7 | 0 | 0 | 0 | 110.2 | Y400 | Y400-P434 HydrophobicContact CD2-CG 4.34Å; Y400-P434 HydrophobicContact CE2-CG 4.07Å |
| 435 | G | 52.5 | Low | 56.2 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 170.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L433 E437 E438 | L433-G435 PolarHBondContact O-N 2.75Å; G435-E437 PolarHBondContact O-N 3.1Å; G435-E438 PolarHBondContact O-N 3.07Å |
| 436 | E | 50.1 | Low | 57 | Low | 150 Ų | 150 | 84 Ų | 84 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 3.6 | -168.6 | -67 | 166.5 | -170 | 0 | 0 | 116.7 | K404 | K404-E436 IonicContact NZ-OE1 3.17Å; K404-E436 PolarHBondContact NZ-OE1 2.87Å |
| 437 | E | 49 | Very low | 57.8 | Low | 195 Ų | 195 | 81.1 Ų | 81.1 | 91% | 0.911 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.8 | -179.1 | -65.5 | -172.4 | 163.2 | 0 | 0 | 114.2 | G435 | G435-E437 PolarHBondContact O-N 3.1Š|
| 438 | E | 51.7 | Low | 58.5 | Low | 133 Ų | 133 | 84.6 Ų | 84.6 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | trans | -106.4 | 88 | 174.8 | -74.5 | -177.9 | 163 | 0 | 0 | 111.2 | G435 G440 H441 | G435-E438 PolarHBondContact O-N 3.07Å; E438-G440 PolarHBondContact O-N 3.46Å; E438-H441 IonicContact OE2-NE2 3.73Å | ||
| 439 | S | 49.2 | Very low | 59.1 | Low | 128 Ų | 128 | 79.5 Ų | 79.5 | 90% | 0.895 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 90.7 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 440 | G | 55.9 | Low | 60 | Low | 57 Ų | 57 | 77.9 Ų | 77.9 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -176.9 | -21.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | E438 | E438-G440 PolarHBondContact O-N 3.46Š|
| 441 | H | 64.1 | Low | 60.8 | Low | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.292 | 49% | 0.485 | S | S | . | . | trans | -84 | 128.4 | -172.3 | -62.1 | -65.3 | 0 | 0 | 0 | 113 | Y400 E438 E445 | Y400-H441 HydrophobicContact CD2-CB 3.86Å; Y400-H441 HydrophobicContact CE2-CB 3.34Å; E438-H441 IonicContact OE2-NE2 3.73Å; H441-E445 WeakPolarHBondContact CB-OE2 3.17Å; H441-E445 IonicContact CE1-OE2 3.18Å; H441-E445 IonicContact CG-OE2 3.79Å; H441-E445 VanDerWaalsContact ND1-CD 3.32Å; H441-E445 IonicContact ND1-OE1 3.89Å; H441-E445 PolarHBondContact ND1-OE1 2.77Å; H441-E445 IonicContact ND1-OE2 3.39Å; H441-E445 PolarHBondContact ND1-OE2 3.5Å | ||
| 442 | T | 73.8 | Confident | 61.9 | Low | 37 Ų | 37 | 82.2 Ų | 82.2 | 23% | 0.227 | 47% | 0.471 | C | S | . | . | B | Isolated β-bridge | trans | -115.1 | 157.2 | -176.4 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | Y400 Q444 E445 | Y400-T442 VanDerWaalsContact CE1-C 3.4Å; Y400-T442 WeakPolarHBondContact CE1-O 3.32Å; Y400-T442 PolarHBondContact OH-O 2.86Å; T442-Q444 PolarHBondContact O-N 2.89Å; T442-E445 PolarHBondContact O-N 3.44Å |
| 443 | V | 69.1 | Low | 62.8 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -54.6 | -22.4 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 113 | V380 V382 L396 T398 Y400 L403 E445 L446 A447 V452 | V380-V443 HydrophobicContact CG1-CG1 4.32Å; V382-V443 HydrophobicContact CG2-CG1 4.21Å; L396-V443 PolarHBondContact O-N 2.93Å; T398-V443 WeakPolarHBondContact O-CG2 3.16Å; T398-V443 PolarHBondContact O-N 2.9Å; T398-V443 VanDerWaalsContact O-N 3.1Å; Y400-V443 HydrophobicContact CD1-CG2 4.31Å; Y400-V443 HydrophobicContact CE1-CG2 4.46Å; L403-V443 HydrophobicContact CB-CG2 4.16Å; L403-V443 HydrophobicContact CD1-CG2 4.4Å; L403-V443 HydrophobicContact CD2-CG2 3.53Å; L403-V443 HydrophobicContact CG-CG2 4.23Å; V443-E445 VanDerWaalsContact C-N 3.28Å; V443-E445 PolarHBondContact O-N 2.87Å; V443-L446 PolarHBondContact O-N 3.02Å; V443-A447 PolarHBondContact O-N 3.16Å; V443-V452 HydrophobicContact CG1-CG2 4.02Å |
| 444 | Q | 67.4 | Low | 63.4 | Low | 123 Ų | 123 | 79.7 Ų | 79.7 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -55.9 | -35.5 | 172.2 | -174.9 | 170.7 | -4 | 0 | 0 | 114.2 | L396 T442 L446 A447 | L396-Q444 HydrophobicContact CB-CB 4.42Å; L396-Q444 HydrophobicContact CD2-CB 3.9Å; L396-Q444 HydrophobicContact CD2-CG 4.16Å; L396-Q444 PolarHBondContact O-N 2.84Å; L396-Q444 VanDerWaalsContact O-N 3.1Å; T442-Q444 PolarHBondContact O-N 2.89Å; Q444-L446 VanDerWaalsContact C-N 3.29Å; Q444-L446 PolarHBondContact O-N 2.76Å; Q444-A447 PolarHBondContact O-N 3.14Å |
| 445 | E | 65.6 | Low | 64.2 | Low | 113 Ų | 113 | 80.3 Ų | 80.3 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -72.3 | -24.8 | -178.1 | -64 | 173.4 | -174.4 | 0 | 0 | 112.8 | H441 T442 V443 | H441-E445 WeakPolarHBondContact CB-OE2 3.17Å; H441-E445 IonicContact CE1-OE2 3.18Å; H441-E445 IonicContact CG-OE2 3.79Å; H441-E445 VanDerWaalsContact ND1-CD 3.32Å; H441-E445 IonicContact ND1-OE1 3.89Å; H441-E445 PolarHBondContact ND1-OE1 2.77Å; H441-E445 IonicContact ND1-OE2 3.39Å; H441-E445 PolarHBondContact ND1-OE2 3.5Å; T442-E445 PolarHBondContact O-N 3.44Å; V443-E445 VanDerWaalsContact C-N 3.28Å; V443-E445 PolarHBondContact O-N 2.87Å |
| 446 | L | 65.8 | Low | 65.1 | Low | 22 Ų | 22 | 78 Ų | 78 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -90.1 | -14.6 | 176.7 | -60.7 | 169.2 | 0 | 0 | 0 | 112.5 | Y400 H422 L433 V443 Q444 Q448 V452 L454 | Y400-L446 HydrophobicContact CD1-CD1 4.23Å; Y400-L446 HydrophobicContact CE1-CD1 3.4Å; Y400-L446 HydrophobicContact CE1-CG 4.01Å; Y400-L446 VanDerWaalsContact OH-CG 3.31Å; Y400-L446 WeakPolarHBondContact OH-CG 3.32Å; H422-L446 HydrophobicContact CB-CD2 4.17Å; H422-L446 WeakPolarHBondContact ND1-CD2 3.47Å; L433-L446 HydrophobicContact CD2-CD1 3.49Å; L433-L446 VanDerWaalsContact CD2-CD1 3.49Å; L433-L446 HydrophobicContact CD2-CD2 4.09Å; L433-L446 HydrophobicContact CD2-CG 4.4Å; V443-L446 PolarHBondContact O-N 3.02Å; Q444-L446 VanDerWaalsContact C-N 3.29Å; Q444-L446 PolarHBondContact O-N 2.76Å; L446-Q448 PolarHBondContact O-N 2.89Å; L446-V452 HydrophobicContact CB-CG1 3.9Å; L446-V452 HydrophobicContact CB-CG2 4Å; L446-V452 HydrophobicContact CD1-CG1 4.43Å; L446-L454 HydrophobicContact CD1-CD2 4.23Å |
| 447 | A | 66.1 | Low | 66 | Low | 27 Ų | 27 | 73.3 Ų | 73.3 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | trans | -79.3 | 112.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V380 L396 V443 Q444 V452 | V380-A447 HydrophobicContact CG1-CB 4.35Å; V380-A447 HydrophobicContact CG2-CB 3.98Å; L396-A447 HydrophobicContact CD2-CB 4.06Å; V443-A447 PolarHBondContact O-N 3.16Å; Q444-A447 PolarHBondContact O-N 3.14Å; A447-V452 HydrophobicContact CB-CG2 3.86Å | ||
| 448 | Q | 63.8 | Low | 66.4 | Low | 115 Ų | 115 | 70 Ų | 70 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 120.4 | 171.1 | -68.1 | 174.4 | 13.6 | 0 | 0 | 108.5 | L446 G450 R451 | L446-Q448 PolarHBondContact O-N 2.89Å; Q448-G450 PolarHBondContact O-N 3.1Å; Q448-R451 PolarHBondContact N-O 3.3Å; Q448-R451 VanDerWaalsContact N-O 3.12Å; Q448-R451 PolarHBondContact O-N 3.12Å; Q448-R451 VanDerWaalsContact O-N 3.16Å |
| 449 | A | 60.5 | Low | 66.6 | Low | 110 Ų | 110 | 69.2 Ų | 69.2 | 91% | 0.909 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 450 | G | 65.3 | Low | 66.7 | Low | 39 Ų | 39 | 65.2 Ų | 65.2 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 11.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | V381 Q448 | V381-G450 PolarHBondContact N-O 3.47Å; Q448-G450 PolarHBondContact O-N 3.1Å |
| 451 | R | 71.1 | Confident | 66.5 | Low | 186 Ų | 186 | 66.3 Ų | 66.3 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.5 | 178.4 | -65.2 | 179.7 | 178.7 | 154.8 | 0.6 | 111.3 | V381 Q448 | V381-R451 WeakPolarHBondContact O-CA 3.48Å; Q448-R451 PolarHBondContact N-O 3.3Å; Q448-R451 VanDerWaalsContact N-O 3.12Å; Q448-R451 PolarHBondContact O-N 3.12Å; Q448-R451 VanDerWaalsContact O-N 3.16Å |
| 452 | V | 78.8 | Confident | 66 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.8 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 108 | V380 V381 V382 K383 V443 L446 A447 L454 | V380-V452 HydrophobicContact CG1-CB 4.21Å; V380-V452 HydrophobicContact CG1-CG2 3.61Å; V381-V452 PolarHBondContact O-N 2.81Å; V382-V452 CarbonylContact C-O 3.45Å; V382-V452 WeakPolarHBondContact CA-O 3.47Å; V382-V452 HydrophobicContact CG1-CB 4.32Å; V382-V452 HydrophobicContact CG1-CG1 4.23Å; V382-V452 HydrophobicContact CG2-CB 4.21Å; K383-V452 PolarHBondContact N-O 3.26Å; V443-V452 HydrophobicContact CG1-CG2 4.02Å; L446-V452 HydrophobicContact CB-CG1 3.9Å; L446-V452 HydrophobicContact CB-CG2 4Å; L446-V452 HydrophobicContact CD1-CG1 4.43Å; A447-V452 HydrophobicContact CB-CG2 3.86Å; V452-L454 HydrophobicContact CG1-CD1 4.36Å; V452-L454 HydrophobicContact CG1-CD2 3.72Å; V452-L454 HydrophobicContact CG1-CG 3.81Å |
| 453 | T | 77 | Confident | 64.9 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.7 | 174.3 | -52.1 | 0 | 0 | 0 | 0 | 109.4 | K383 H385 W455 | K383-T453 CarbonylContact O-C 3.12Å; K383-T453 WeakPolarHBondContact O-CA 3.39Å; H385-T453 VanDerWaalsContact CD2-CG2 3.45Å; H385-T453 WeakPolarHBondContact CD2-CG2 3.45Å; T453-W455 HydrophobicContact CG2-CE3 4.4Å; T453-W455 HydrophobicContact CG2-CH2 3.56Å; T453-W455 HydrophobicContact CG2-CZ2 4.03Å; T453-W455 HydrophobicContact CG2-CZ3 3.77Å; T453-W455 WeakPolarHBondContact O-CZ3 3.41Å |
| 454 | L | 77.2 | Confident | 64.2 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.7 | -179.9 | -57.5 | 178.6 | 0 | 0 | 0 | 110 | V382 K383 V384 H385 L403 I407 R421 H422 L433 L446 V452 | V382-L454 HydrophobicContact CG1-CD1 3.61Å; V382-L454 HydrophobicContact CG1-CG 3.96Å; K383-L454 PolarHBondContact O-N 3.01Å; V384-L454 CarbonylContact C-O 3.57Å; V384-L454 VanDerWaalsContact CA-O 3.32Å; V384-L454 WeakPolarHBondContact CA-O 3.4Å; H385-L454 PolarHBondContact N-O 3.34Å; L403-L454 HydrophobicContact CD2-CD1 3.69Å; L403-L454 HydrophobicContact CG-CD1 4.4Å; I407-L454 HydrophobicContact CD1-CD1 4.03Å; R421-L454 CarbonylContact O-C 3.51Å; R421-L454 WeakPolarHBondContact O-CA 3.26Å; H422-L454 HydrophobicContact CB-CD2 3.82Å; L433-L454 HydrophobicContact CD1-CD2 4.42Å; L446-L454 HydrophobicContact CD1-CD2 4.23Å; V452-L454 HydrophobicContact CG1-CD1 4.36Å; V452-L454 HydrophobicContact CG1-CD2 3.72Å; V452-L454 HydrophobicContact CG1-CG 3.81Å |
| 455 | W | 74.5 | Confident | 63.9 | Low | 72 Ų | 72 | 73.3 Ų | 73.3 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.9 | 169.1 | -73 | -101 | 0 | 0 | 0 | 107.9 | H385 L420 R421 K423 L430 T453 | H385-W455 HydrophobicContact CB-CG 4.07Å; H385-W455 AromaticContact CD2-CE2 3.99Å; H385-W455 AromaticContact CG-NE1 3.86Å; L420-W455 WeakPolarHBondContact CA-O 3.39Å; R421-W455 PolarHBondContact N-O 3.04Å; R421-W455 PolarHBondContact O-N 2.87Å; K423-W455 HydrophobicContact CB-CH2 4.17Å; K423-W455 HydrophobicContact CB-CZ3 3.82Å; K423-W455 HydrophobicContact CD-CH2 4.41Å; L430-W455 HydrophobicContact CD1-CG 4.44Å; L430-W455 HydrophobicContact CD2-CD2 3.7Å; L430-W455 HydrophobicContact CD2-CE3 3.51Å; L430-W455 HydrophobicContact CD2-CG 4.15Å; L430-W455 HydrophobicContact CD2-CZ3 3.98Å; T453-W455 HydrophobicContact CG2-CE3 4.4Å; T453-W455 HydrophobicContact CG2-CH2 3.56Å; T453-W455 HydrophobicContact CG2-CZ2 4.03Å; T453-W455 HydrophobicContact CG2-CZ3 3.77Å; T453-W455 WeakPolarHBondContact O-CZ3 3.41Å |
| 456 | C | 71.6 | Confident | 64 | Low | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.8 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | V384 H385 Y386 R419 L420 | V384-C456 HydrophobicContact CG1-CB 3.45Å; V384-C456 VanDerWaalsContact CG1-CB 3.45Å; H385-C456 PolarHBondContact O-N 3.02Å; Y386-C456 HydrophobicContact CD2-CB 4.3Å; Y386-C456 WeakPolarHBondContact CD2-O 3.4Å; R419-C456 WeakPolarHBondContact O-CA 3.39Å; L420-C456 HydrophobicContact CD2-CB 3.63Å |
| 457 | Q | 69.6 | Low | 64.5 | Low | 52 Ų | 52 | 76.1 Ų | 76.1 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.8 | 174.6 | -67.6 | 171.4 | -20 | 0 | 0 | 107.5 | R419 | R419-Q457 PolarHBondContact N-O 3.12Å; R419-Q457 PolarHBondContact O-N 2.9Å |
| 458 | R | 56.8 | Low | 64.9 | Low | 127 Ų | 127 | 79.1 Ų | 79.1 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 147.9 | 165.6 | -88.2 | 171.6 | 73.2 | -167.3 | 5.3 | 108.7 | Y386 Q413 Q417 L418 | Y386-R458 HydrophobicContact CE2-CG 3.97Å; Y386-R458 WeakPolarHBondContact OH-CD 3.47Å; Q413-R458 HydrophobicContact CG-CG 4.41Å; Q417-R458 CarbonylContact O-C 3.51Å; Q417-R458 WeakPolarHBondContact O-CA 3.2Å; L418-R458 HydrophobicContact CD2-CG 3.72Å |
| 459 | E | 56.4 | Low | 65.5 | Low | 115 Ų | 115 | 75.9 Ų | 75.9 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -49.4 | 144.7 | 161.1 | -87 | -172.1 | 148.4 | 0 | 0 | 109.7 | Q417 | Q417-E459 PolarHBondContact O-N 2.89Š|
| 460 | D | 51.3 | Low | 66.4 | Low | 44 Ų | 44 | 76 Ų | 76 | 24% | 0.235 | 39% | 0.387 | C | S | . | . | cis | -157.4 | 119.9 | -37 | -173.3 | -17.6 | 0 | 0 | 0 | 99.4 | L462 A463 | D460-L462 PolarHBondContact O-N 3.03Å; D460-L462 WeakPolarHBondContact OD1-CB 3.25Å; D460-L462 PolarHBondContact OD1-N 3.1Å; D460-A463 WeakPolarHBondContact O-CB 3.43Å; D460-A463 PolarHBondContact O-N 2.68Å | ||
| 461 | P | 51.8 | Low | 67.2 | Low | 80 Ų | 80 | 74.9 Ų | 74.9 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -3.8 | -179.5 | 28 | -34.9 | 0 | 0 | 0 | 112.4 | I512 | P461-I512 HydrophobicContact CB-CD1 3.55Å; P461-I512 HydrophobicContact CB-CG1 4.26Å; P461-I512 HydrophobicContact CG-CD1 3.84Å; P461-I512 HydrophobicContact CG-CG1 4.14Å |
| 462 | L | 52.6 | Low | 67.7 | Low | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.5 | 173.1 | -66.6 | 157.3 | 0 | 0 | 0 | 115.6 | D460 N464 R465 L496 H507 | D460-L462 PolarHBondContact O-N 3.03Å; D460-L462 WeakPolarHBondContact OD1-CB 3.25Å; D460-L462 PolarHBondContact OD1-N 3.1Å; L462-N464 PolarHBondContact O-N 2.96Å; L462-R465 HydrophobicContact CD2-CB 4.17Å; L462-R465 PolarHBondContact O-N 3.1Å; L462-L496 HydrophobicContact CD2-CD1 3.59Å; L462-L496 HydrophobicContact CD2-CD2 3.2Å; L462-L496 HydrophobicContact CD2-CG 4.01Å; L462-H507 HydrophobicContact CD1-CB 4.4Å |
| 463 | A | 50.8 | Low | 68 | Low | 79 Ų | 79 | 67.3 Ų | 67.3 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D460 | D460-A463 WeakPolarHBondContact O-CB 3.43Å; D460-A463 PolarHBondContact O-N 2.68Å |
| 464 | N | 54.6 | Low | 68.2 | Low | 165 Ų | 165 | 67.5 Ų | 67.5 | 88% | 0.882 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 15 | 173.7 | -68.8 | -28.3 | 0 | 0 | 0 | 113.8 | L462 | L462-N464 PolarHBondContact O-N 2.96Š|
| 465 | R | 60.6 | Low | 68.5 | Low | 105 Ų | 105 | 73.9 Ų | 73.9 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | trans | -122.2 | 122 | -175.7 | -73.5 | -177.6 | 160.1 | -167 | -12.8 | 110.5 | L462 E505 | L462-R465 HydrophobicContact CD2-CB 4.17Å; L462-R465 PolarHBondContact O-N 3.1Å; R465-E505 IonicContact CZ-OE1 3.43Å; R465-E505 VanDerWaalsContact CZ-OE1 3.28Å; R465-E505 IonicContact CZ-OE2 3.38Å; R465-E505 VanDerWaalsContact NH1-CD 3.32Å; R465-E505 IonicContact NH1-OE1 2.75Å; R465-E505 PolarHBondContact NH1-OE1 3.12Å; R465-E505 IonicContact NH1-OE2 2.72Å; R465-E505 IonicContact NH2-OE1 3.16Å; R465-E505 PolarHBondContact NH2-OE1 3.19Å; R465-E505 IonicContact NH2-OE2 3.24Å; R465-E505 PolarHBondContact NH2-OE2 3.25Å | ||
| 466 | T | 67.3 | Low | 69 | Low | 111 Ų | 111 | 75.7 Ų | 75.7 | 68% | 0.681 | 39% | 0.385 | S | S | * | . | trans | -78.7 | 129.5 | 176.1 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | L468 | T466-L468 PolarHBondContact O-N 3.34Š| ||
| 467 | I | 76.4 | Confident | 69.8 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | trans | -71.2 | 119.4 | 168.9 | -58.7 | 170.3 | 0 | 0 | 0 | 107.6 | D494 L496 | I467-D494 HydrophobicContact CD1-CB 4.06Å; I467-D494 HydrophobicContact CG1-CB 4.17Å; I467-D494 HydrophobicContact CG2-CB 3.99Å; I467-L496 HydrophobicContact CG1-CD2 4.06Å | ||
| 468 | L | 75.1 | Confident | 70.7 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | trans | -76.8 | -49 | -178.8 | -62 | 178 | 0 | 0 | 0 | 110.9 | T466 I495 L496 | T466-L468 PolarHBondContact O-N 3.34Å; L468-I495 PolarHBondContact N-O 2.75Å; L468-L496 WeakPolarHBondContact CD1-O 2.71Å | ||
| 469 | Y | 76 | Confident | 72 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 18% | 0.184 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 170.2 | 176.9 | 51.5 | -90.4 | 0 | 0 | 0 | 109.9 | M471 I495 E498 K522 | Y469-M471 HydrophobicContact CD2-CG 3.96Å; Y469-M471 HydrophobicContact CD2-SD 4.44Å; Y469-M471 HydrophobicContact CE2-CG 3.87Å; Y469-M471 HydrophobicContact CE2-SD 3.74Å; Y469-I495 HydrophobicContact CD2-CB 4.14Å; Y469-I495 HydrophobicContact CD2-CG1 3.86Å; Y469-I495 HydrophobicContact CE1-CG2 4.41Å; Y469-I495 HydrophobicContact CE2-CB 4.02Å; Y469-I495 HydrophobicContact CE2-CG1 3.69Å; Y469-I495 HydrophobicContact CE2-CG2 4.14Å; Y469-I495 VanDerWaalsContact O-CB 3.28Å; Y469-I495 WeakPolarHBondContact O-CB 3.32Å; Y469-I495 WeakPolarHBondContact O-CG1 3.38Å; Y469-I495 PolarHBondContact O-N 3.35Å; Y469-E498 WeakPolarHBondContact CE1-OE1 3.33Å; Y469-E498 PolarHBondContact OH-OE1 2.63Å; Y469-K522 HydrophobicContact CD2-CD 4.07Å; Y469-K522 HydrophobicContact CE2-CD 4.45Å |
| 470 | Q | 79 | Confident | 73 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 146.9 | 177.6 | -71.1 | 179.4 | -31 | 0 | 0 | 111 | T492 I493 D494 | Q470-T492 HydrophobicContact CB-CG2 4.26Å; Q470-T492 HydrophobicContact CG-CG2 4.42Å; Q470-I493 WeakPolarHBondContact CA-O 3.32Å; Q470-D494 WeakPolarHBondContact CG-OD1 3.46Å; Q470-D494 PolarHBondContact NE2-OD1 3.32Å |
| 471 | M | 83 | Confident | 74.1 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.9 | 173 | -63.3 | -178.2 | 76.5 | 0 | 0 | 110.1 | Y469 I493 I495 L504 A520 Y521 K522 | Y469-M471 HydrophobicContact CD2-CG 3.96Å; Y469-M471 HydrophobicContact CD2-SD 4.44Å; Y469-M471 HydrophobicContact CE2-CG 3.87Å; Y469-M471 HydrophobicContact CE2-SD 3.74Å; M471-I493 PolarHBondContact N-O 3.23Å; M471-I493 PolarHBondContact O-N 3.22Å; M471-I495 HydrophobicContact CB-CD1 4.26Å; M471-I495 HydrophobicContact CB-CG1 4.33Å; M471-I495 HydrophobicContact CG-CD1 4.08Å; M471-I495 HydrophobicContact CG-CG1 3.75Å; M471-I495 HydrophobicContact SD-CD1 3.85Å; M471-I495 HydrophobicContact SD-CG1 3.82Å; M471-L504 HydrophobicContact CE-CD1 4.19Å; M471-L504 HydrophobicContact SD-CD1 3.37Å; M471-L504 WeakPolarHBondContact SD-CD1 3.23Å; M471-A520 HydrophobicContact CB-CB 3.8Å; M471-A520 VanDerWaalsContact CE-C 3.46Å; M471-A520 HydrophobicContact CE-CB 3.97Å; M471-A520 WeakPolarHBondContact CE-O 3.49Å; M471-A520 HydrophobicContact SD-CB 4.43Å; M471-Y521 CarbonylContact C-O 3.49Å; M471-Y521 VanDerWaalsContact CA-O 3.26Å; M471-Y521 WeakPolarHBondContact CA-O 3.44Å; M471-Y521 WeakPolarHBondContact CB-O 3.19Å; M471-K522 HydrophobicContact CG-CB 4.39Å |
| 472 | V | 80.4 | Confident | 75 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.8 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | L474 A520 Y521 | V472-L474 PolarHBondContact O-N 2.97Å; V472-A520 CarbonylContact O-C 3.48Å; V472-A520 WeakPolarHBondContact O-CA 3.22Å; V472-A520 WeakPolarHBondContact O-CB 3.4Å; V472-Y521 HydrophobicContact CB-CD1 4.1Å; V472-Y521 HydrophobicContact CB-CE1 3.59Å; V472-Y521 HydrophobicContact CG1-CE1 3.82Å; V472-Y521 PolarHBondContact N-O 3.33Å; V472-Y521 VanDerWaalsContact O-CD1 3.32Å; V472-Y521 WeakPolarHBondContact O-CD1 3.34Å; V472-Y521 PolarHBondContact O-N 3.31Å |
| 473 | A | 86.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 83.9 Ų | 83.9 | 3% | 0.025 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 126.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F487 S488 G490 D491 I493 F519 | A473-F487 HydrophobicContact CB-CD2 3.5Å; A473-F487 VanDerWaalsContact CB-CD2 3.5Å; A473-F487 HydrophobicContact CB-CE2 3.73Å; A473-S488 VanDerWaalsContact CB-O 3.26Å; A473-S488 WeakPolarHBondContact CB-O 3.01Å; A473-G490 PolarHBondContact O-N 2.83Å; A473-D491 HydrophobicContact CB-CB 4.44Å; A473-D491 PolarHBondContact N-O 3.25Å; A473-I493 HydrophobicContact CB-CD1 4.16Å; A473-F519 CarbonylContact C-O 3.58Å; A473-F519 WeakPolarHBondContact CA-O 3.03Å |
| 474 | L | 80.4 | Confident | 77.9 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -83.3 | -28.7 | 174.7 | -72.2 | 172.8 | 0 | 0 | 0 | 112.6 | V472 E489 F519 Y521 | V472-L474 PolarHBondContact O-N 2.97Å; L474-E489 WeakPolarHBondContact O-CG 3.47Å; L474-F519 PolarHBondContact N-O 3.1Å; L474-Y521 HydrophobicContact CD2-CD1 3.3Å; L474-Y521 HydrophobicContact CD2-CE1 3.85Å; L474-Y521 HydrophobicContact CD2-CG 4.15Å; L474-Y521 HydrophobicContact CG-CD1 3.74Å |
| 475 | Y | 83.6 | Confident | 79.5 | Confident | 134 Ų | 134 | 73.7 Ų | 73.7 | 53% | 0.525 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -143.7 | 157.4 | -175.5 | -52.7 | -65.7 | 0 | 0 | 0 | 110 | F519 | Y475-F519 HydrophobicContact CD2-CD1 4.34Š|
| 476 | D | 85.8 | Confident | 80.8 | Confident | 109 Ų | 109 | 74.3 Ų | 74.3 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | trans | -60.8 | 136.3 | 166.3 | -64.1 | -18.7 | 0 | 0 | 0 | 110 | S488 E489 | D476-S488 WeakPolarHBondContact OD1-CA 3.15Å; D476-E489 PolarHBondContact OD1-N 3.44Å | ||
| 477 | Y | 87.4 | Confident | 81.7 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -130.8 | 113.7 | 175 | -175.5 | -109.9 | 0 | 0 | 0 | 109.6 | D484 L485 E486 F487 F515 P516 F519 | Y477-D484 HydrophobicContact CE1-CB 4.25Å; Y477-L485 WeakPolarHBondContact CD1-O 3.33Å; Y477-E486 WeakPolarHBondContact O-CA 3.26Å; Y477-F487 VanDerWaalsContact CB-CZ 3.44Å; Y477-F487 HydrophobicContact CD1-CD1 4.36Å; Y477-F487 AromaticContact CD1-CE1 3.68Å; Y477-F487 HydrophobicContact CD1-CE1 3.68Å; Y477-F487 AromaticContact CD1-CZ 3.95Å; Y477-F487 HydrophobicContact CD1-CZ 3.95Å; Y477-F487 HydrophobicContact CG-CE1 4.14Å; Y477-F487 AromaticContact CG-CZ 3.94Å; Y477-F487 HydrophobicContact CG-CZ 3.94Å; Y477-F487 PolarHBondContact N-O 2.85Å; Y477-F487 PolarHBondContact O-N 3.03Å; Y477-F487 VanDerWaalsContact O-N 3.08Å; Y477-F515 HydrophobicContact CD1-CB 3.86Å; Y477-F515 HydrophobicContact CE1-CB 3.65Å; Y477-P516 HydrophobicContact CE2-CG 4.15Å; Y477-F519 AromaticContact CD2-CD1 3.91Å; Y477-F519 HydrophobicContact CD2-CD1 3.91Å; Y477-F519 AromaticContact CD2-CE1 3.86Å; Y477-F519 HydrophobicContact CD2-CE1 3.86Å; Y477-F519 HydrophobicContact CD2-CG 4.33Å; Y477-F519 HydrophobicContact CD2-CZ 4.21Å; Y477-F519 HydrophobicContact CG-CD1 4.27Å |
| 478 | A | 87.9 | Confident | 82.1 | Confident | 64 Ų | 64 | 68 Ų | 68 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | trans | -90.4 | 131.8 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | E480 | A478-E480 PolarHBondContact O-N 3.34Š| ||
| 479 | A | 84.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 70 Ų | 70 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | trans | -64.4 | 121.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D484 E486 | A479-D484 HydrophobicContact CB-CB 3.81Å; A479-E486 HydrophobicContact CB-CB 4.02Å | ||
| 480 | E | 77.4 | Confident | 82.6 | Confident | 186 Ų | 186 | 70 Ų | 70 | 87% | 0.869 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -92.8 | -26.9 | 175.3 | -65.2 | -169.5 | 167.3 | 0 | 0 | 111.3 | A478 D484 | A478-E480 PolarHBondContact O-N 3.34Å; E480-D484 WeakPolarHBondContact CA-OD2 3.46Å; E480-D484 PolarHBondContact N-OD2 3.46Å |
| 481 | G | 74.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -125.2 | 167.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E483 D484 | G481-E483 PolarHBondContact O-N 3Å; G481-D484 PolarHBondContact N-OD2 3.1Å; G481-D484 PolarHBondContact O-N 3.26Å |
| 482 | P | 71.3 | Confident | 82.3 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 86% | 0.857 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.7 | 178.9 | 29.5 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 483 | E | 80.6 | Confident | 82.4 | Confident | 140 Ų | 140 | 68.3 Ų | 68.3 | 65% | 0.654 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -8.1 | 178 | -54.4 | -64.6 | 152.2 | 0 | 0 | 112.2 | G481 G513 I514 | G481-E483 PolarHBondContact O-N 3Å; E483-G513 CarbonylContact O-C 3.5Å; E483-G513 WeakPolarHBondContact O-CA 3.19Å; E483-I514 WeakPolarHBondContact O-CG1 3.23Å; E483-I514 PolarHBondContact O-N 3.16Å |
| 484 | D | 84.8 | Confident | 82.2 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.16 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 142.5 | -174.6 | -62.6 | -16.8 | 0 | 0 | 0 | 111.4 | Y477 A479 E480 G481 I514 | Y477-D484 HydrophobicContact CE1-CB 4.25Å; A479-D484 HydrophobicContact CB-CB 3.81Å; E480-D484 WeakPolarHBondContact CA-OD2 3.46Å; E480-D484 PolarHBondContact N-OD2 3.46Å; G481-D484 PolarHBondContact N-OD2 3.1Å; G481-D484 PolarHBondContact O-N 3.26Å; D484-I514 WeakPolarHBondContact CA-O 3.46Å |
| 485 | L | 86.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -88.8 | 112 | 176.6 | -177.1 | 70.4 | 0 | 0 | 0 | 110.9 | Y477 F487 I493 C508 N511 I514 F515 | Y477-L485 WeakPolarHBondContact CD1-O 3.33Å; L485-F487 HydrophobicContact CB-CD1 4.39Å; L485-F487 HydrophobicContact CD2-CD1 3.91Å; L485-F487 HydrophobicContact CD2-CE1 4.26Å; L485-F487 HydrophobicContact CG-CD1 3.93Å; L485-F487 HydrophobicContact CG-CE1 4.46Å; L485-F487 WeakPolarHBondContact O-CD1 3.4Å; L485-F487 WeakPolarHBondContact O-CE1 3.27Å; L485-I493 HydrophobicContact CD2-CG2 3.79Å; L485-C508 HydrophobicContact CD1-CB 4.17Å; L485-C508 HydrophobicContact CD2-CB 4.01Å; L485-C508 HydrophobicContact CG-CB 4.28Å; L485-N511 HydrophobicContact CD1-CB 4.05Å; L485-N511 WeakPolarHBondContact CD1-O 3.45Å; L485-I514 PolarHBondContact N-O 3.01Å; L485-F515 HydrophobicContact CB-CD1 4.41Å; L485-F515 HydrophobicContact CD2-CD1 3.9Å; L485-F515 HydrophobicContact CD2-CE1 4.19Å | ||
| 486 | E | 88.2 | Confident | 82.6 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | trans | -79.6 | 130.8 | 173.1 | -175.1 | 174.2 | -156.6 | 0 | 0 | 112.2 | Y477 A479 | Y477-E486 WeakPolarHBondContact O-CA 3.26Å; A479-E486 HydrophobicContact CB-CB 4.02Å | ||
| 487 | F | 86.3 | Confident | 82.5 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -153.7 | 162.3 | 176 | 54.4 | -96.1 | 0 | 0 | 0 | 112.1 | A473 Y477 L485 D491 I493 C508 F515 F519 | A473-F487 HydrophobicContact CB-CD2 3.5Å; A473-F487 VanDerWaalsContact CB-CD2 3.5Å; A473-F487 HydrophobicContact CB-CE2 3.73Å; Y477-F487 VanDerWaalsContact CB-CZ 3.44Å; Y477-F487 HydrophobicContact CD1-CD1 4.36Å; Y477-F487 AromaticContact CD1-CE1 3.68Å; Y477-F487 HydrophobicContact CD1-CE1 3.68Å; Y477-F487 AromaticContact CD1-CZ 3.95Å; Y477-F487 HydrophobicContact CD1-CZ 3.95Å; Y477-F487 HydrophobicContact CG-CE1 4.14Å; Y477-F487 AromaticContact CG-CZ 3.94Å; Y477-F487 HydrophobicContact CG-CZ 3.94Å; Y477-F487 PolarHBondContact N-O 2.85Å; Y477-F487 PolarHBondContact O-N 3.03Å; Y477-F487 VanDerWaalsContact O-N 3.08Å; L485-F487 HydrophobicContact CB-CD1 4.39Å; L485-F487 HydrophobicContact CD2-CD1 3.91Å; L485-F487 HydrophobicContact CD2-CE1 4.26Å; L485-F487 HydrophobicContact CG-CD1 3.93Å; L485-F487 HydrophobicContact CG-CE1 4.46Å; L485-F487 WeakPolarHBondContact O-CD1 3.4Å; L485-F487 WeakPolarHBondContact O-CE1 3.27Å; F487-D491 HydrophobicContact CB-CB 4.35Å; F487-I493 HydrophobicContact CD1-CD1 3.79Å; F487-I493 HydrophobicContact CD2-CD1 3.83Å; F487-I493 HydrophobicContact CE1-CD1 3.75Å; F487-I493 HydrophobicContact CE2-CD1 3.78Å; F487-I493 HydrophobicContact CG-CD1 3.83Å; F487-I493 HydrophobicContact CG-CG1 4.42Å; F487-I493 HydrophobicContact CZ-CD1 3.74Å; F487-C508 HydrophobicContact CB-CB 4.26Å; F487-F515 HydrophobicContact CE1-CB 3.59Å; F487-F515 HydrophobicContact CE1-CD1 4.02Å; F487-F515 AromaticContact CE1-CD2 3.69Å; F487-F515 HydrophobicContact CE1-CD2 3.69Å; F487-F515 HydrophobicContact CE1-CE2 4.37Å; F487-F515 AromaticContact CE1-CG 3.48Å; F487-F515 HydrophobicContact CE1-CG 3.48Å; F487-F515 VanDerWaalsContact CE1-CG 3.48Å; F487-F515 HydrophobicContact CZ-CB 4Å; F487-F515 AromaticContact CZ-CD2 3.5Å; F487-F515 HydrophobicContact CZ-CD2 3.5Å; F487-F515 HydrophobicContact CZ-CE2 4.12Å; F487-F515 AromaticContact CZ-CG 3.81Å; F487-F515 HydrophobicContact CZ-CG 3.81Å; F487-F519 HydrophobicContact CE2-CB 4.28Å; F487-F519 HydrophobicContact CZ-CB 4.06Å |
| 488 | S | 85.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -105.9 | 157.5 | 177.8 | -55 | 0 | 0 | 0 | 0 | 112 | A473 D476 G490 D491 | A473-S488 VanDerWaalsContact CB-O 3.26Å; A473-S488 WeakPolarHBondContact CB-O 3.01Å; D476-S488 WeakPolarHBondContact OD1-CA 3.15Å; S488-G490 PolarHBondContact O-N 3.09Å; S488-D491 PolarHBondContact N-OD2 2.86Å; S488-D491 VanDerWaalsContact O-CB 3.24Å; S488-D491 WeakPolarHBondContact O-CB 3.28Å; S488-D491 PolarHBondContact O-N 2.89Å | ||
| 489 | E | 85.6 | Confident | 82.1 | Confident | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.4 | 173 | 179.2 | 179.5 | 164.6 | 0 | 0 | 110.8 | L474 D476 | L474-E489 WeakPolarHBondContact O-CG 3.47Å; D476-E489 PolarHBondContact OD1-N 3.44Å |
| 490 | G | 75.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -5.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A473 S488 | A473-G490 PolarHBondContact O-N 2.83Å; S488-G490 PolarHBondContact O-N 3.09Å |
| 491 | D | 76.7 | Confident | 81.9 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | trans | -68.7 | 139.6 | 174.5 | -74.1 | -23 | 0 | 0 | 0 | 111.3 | A473 F487 S488 | A473-D491 HydrophobicContact CB-CB 4.44Å; A473-D491 PolarHBondContact N-O 3.25Å; F487-D491 HydrophobicContact CB-CB 4.35Å; S488-D491 PolarHBondContact N-OD2 2.86Å; S488-D491 VanDerWaalsContact O-CB 3.24Å; S488-D491 WeakPolarHBondContact O-CB 3.28Å; S488-D491 PolarHBondContact O-N 2.89Å | ||
| 492 | T | 78.4 | Confident | 82.5 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.1 | 170.3 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | Q470 | Q470-T492 HydrophobicContact CB-CG2 4.26Å; Q470-T492 HydrophobicContact CG-CG2 4.42Å |
| 493 | I | 84 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.9 | -179 | -50.8 | 171.8 | 0 | 0 | 0 | 108.6 | Q470 M471 A473 L485 F487 I495 C508 F515 A520 | Q470-I493 WeakPolarHBondContact CA-O 3.32Å; M471-I493 PolarHBondContact N-O 3.23Å; M471-I493 PolarHBondContact O-N 3.22Å; A473-I493 HydrophobicContact CB-CD1 4.16Å; L485-I493 HydrophobicContact CD2-CG2 3.79Å; F487-I493 HydrophobicContact CD1-CD1 3.79Å; F487-I493 HydrophobicContact CD2-CD1 3.83Å; F487-I493 HydrophobicContact CE1-CD1 3.75Å; F487-I493 HydrophobicContact CE2-CD1 3.78Å; F487-I493 HydrophobicContact CG-CD1 3.83Å; F487-I493 HydrophobicContact CG-CG1 4.42Å; F487-I493 HydrophobicContact CZ-CD1 3.74Å; I493-I495 HydrophobicContact CB-CD1 4.45Å; I493-I495 HydrophobicContact CG2-CD1 3.97Å; I493-C508 HydrophobicContact CG1-CB 4.48Å; I493-F515 HydrophobicContact CD1-CE1 4.31Å; I493-F515 HydrophobicContact CD1-CE2 3.98Å; I493-F515 HydrophobicContact CD1-CZ 3.83Å; I493-F515 HydrophobicContact CG2-CE1 3.72Å; I493-F515 HydrophobicContact CG2-CZ 3.93Å; I493-A520 HydrophobicContact CD1-CB 4.14Å |
| 494 | D | 82.1 | Confident | 83.7 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115.1 | 173 | -61.9 | -46.1 | 0 | 0 | 0 | 109 | I467 Q470 G506 H507 | I467-D494 HydrophobicContact CD1-CB 4.06Å; I467-D494 HydrophobicContact CG1-CB 4.17Å; I467-D494 HydrophobicContact CG2-CB 3.99Å; Q470-D494 WeakPolarHBondContact CG-OD1 3.46Å; Q470-D494 PolarHBondContact NE2-OD1 3.32Å; D494-G506 CarbonylContact O-C 3.55Å; D494-G506 VanDerWaalsContact O-CA 3.23Å; D494-G506 WeakPolarHBondContact O-CA 3.18Å; D494-H507 HydrophobicContact CB-CB 4.27Å; D494-H507 PolarHBondContact N-O 2.71Å; D494-H507 PolarHBondContact O-N 3.42Å; D494-H507 IonicContact OD2-ND1 2.77Å; D494-H507 PolarHBondContact OD2-ND1 3.18Å |
| 495 | I | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126 | -179.1 | -51.3 | -55.2 | 0 | 0 | 0 | 109.9 | L468 Y469 M471 I493 L504 F515 | L468-I495 PolarHBondContact N-O 2.75Å; Y469-I495 HydrophobicContact CD2-CB 4.14Å; Y469-I495 HydrophobicContact CD2-CG1 3.86Å; Y469-I495 HydrophobicContact CE1-CG2 4.41Å; Y469-I495 HydrophobicContact CE2-CB 4.02Å; Y469-I495 HydrophobicContact CE2-CG1 3.69Å; Y469-I495 HydrophobicContact CE2-CG2 4.14Å; Y469-I495 VanDerWaalsContact O-CB 3.28Å; Y469-I495 WeakPolarHBondContact O-CB 3.32Å; Y469-I495 WeakPolarHBondContact O-CG1 3.38Å; Y469-I495 PolarHBondContact O-N 3.35Å; M471-I495 HydrophobicContact CB-CD1 4.26Å; M471-I495 HydrophobicContact CB-CG1 4.33Å; M471-I495 HydrophobicContact CG-CD1 4.08Å; M471-I495 HydrophobicContact CG-CG1 3.75Å; M471-I495 HydrophobicContact SD-CD1 3.85Å; M471-I495 HydrophobicContact SD-CG1 3.82Å; I493-I495 HydrophobicContact CB-CD1 4.45Å; I493-I495 HydrophobicContact CG2-CD1 3.97Å; I495-L504 HydrophobicContact CD1-CB 4.4Å; I495-L504 HydrophobicContact CD1-CD1 4.1Å; I495-L504 HydrophobicContact CG2-CB 4.48Å; I495-L504 HydrophobicContact CG2-CD2 4.4Å; I495-F515 HydrophobicContact CD1-CE1 3.92Å; I495-F515 HydrophobicContact CD1-CZ 3.62Å |
| 496 | L | 84.4 | Confident | 84 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -38.9 | -175 | -50.9 | -174.7 | 0 | 0 | 0 | 112.1 | L462 I467 L468 E505 H507 I512 | L462-L496 HydrophobicContact CD2-CD1 3.59Å; L462-L496 HydrophobicContact CD2-CD2 3.2Å; L462-L496 HydrophobicContact CD2-CG 4.01Å; I467-L496 HydrophobicContact CG1-CD2 4.06Å; L468-L496 WeakPolarHBondContact CD1-O 2.71Å; L496-E505 PolarHBondContact N-O 3.26Å; L496-H507 HydrophobicContact CD1-CB 4.11Å; L496-H507 HydrophobicContact CD2-CB 4.47Å; L496-H507 HydrophobicContact CG-CB 4.42Å; L496-I512 HydrophobicContact CD1-CD1 3.84Å; L496-I512 HydrophobicContact CD1-CG1 4.3Å; L496-I512 HydrophobicContact CD1-CG2 3.98Å |
| 497 | T | 82.8 | Confident | 83.8 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 141.9 | -179.7 | -65.5 | 0 | 0 | 0 | 0 | 110.2 | E505 | T497-E505 PolarHBondContact N-O 3.1Å; T497-E505 PolarHBondContact O-N 3.28Å |
| 498 | E | 86 | Confident | 83.5 | Confident | 114 Ų | 114 | 56.8 Ų | 56.8 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 106.8 | 168.7 | -59.2 | -176.8 | 178.9 | 0 | 0 | 108.1 | Y469 L504 | Y469-E498 WeakPolarHBondContact CE1-OE1 3.33Å; Y469-E498 PolarHBondContact OH-OE1 2.63Å; E498-L504 HydrophobicContact CB-CD2 4.15Å; E498-L504 HydrophobicContact CG-CD2 3.77Å |
| 499 | V | 81.6 | Confident | 82.7 | Confident | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | trans | -71 | -43 | -177.3 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | W503 E505 I514 | V499-W503 HydrophobicContact CB-CB 4.23Å; V499-W503 PolarHBondContact N-O 2.75Å; V499-E505 HydrophobicContact CG2-CB 4.09Å; V499-I514 HydrophobicContact CG2-CG2 3.93Å | ||
| 500 | N | 80.4 | Confident | 81.8 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -160.7 | -170.6 | 170.4 | 60.6 | 43.3 | 0 | 0 | 0 | 109.8 | E502 W503 | N500-E502 PolarHBondContact O-N 3.35Å; N500-E502 WeakPolarHBondContact OD1-CA 3.41Å; N500-E502 PolarHBondContact OD1-N 2.71Å; N500-W503 PolarHBondContact N-O 3.42Å; N500-W503 PolarHBondContact OD1-N 2.87Å |
| 501 | Q | 78.1 | Confident | 81.6 | Confident | 194 Ų | 194 | 53.6 Ų | 53.6 | 91% | 0.907 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -63.2 | -22.2 | -178.9 | -66.1 | 179.5 | -0.6 | 0 | 0 | 114.2 | S517 | Q501-S517 PolarHBondContact O-OG 2.97Š|
| 502 | E | 85.8 | Confident | 81.9 | Confident | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -108.8 | -14.9 | -174.4 | -64.9 | 179.1 | -178.1 | 0 | 0 | 113.1 | N500 P516 S517 | N500-E502 PolarHBondContact O-N 3.35Å; N500-E502 WeakPolarHBondContact OD1-CA 3.41Å; N500-E502 PolarHBondContact OD1-N 2.71Å; E502-P516 CarbonylContact O-C 3.44Å; E502-P516 VanDerWaalsContact O-CA 3.23Å; E502-P516 WeakPolarHBondContact O-CA 3.39Å; E502-S517 PolarHBondContact O-N 3.17Å; E502-S517 PolarHBondContact O-OG 3.14Å |
| 503 | W | 89.9 | Confident | 82.3 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.7 | -171.8 | -70.6 | 81 | 0 | 0 | 0 | 113 | V499 N500 I514 F515 P516 | V499-W503 HydrophobicContact CB-CB 4.23Å; V499-W503 PolarHBondContact N-O 2.75Å; N500-W503 PolarHBondContact N-O 3.42Å; N500-W503 PolarHBondContact OD1-N 2.87Å; W503-I514 HydrophobicContact CE3-CB 4.1Å; W503-I514 HydrophobicContact CE3-CD1 3.91Å; W503-I514 HydrophobicContact CE3-CG1 3.98Å; W503-I514 HydrophobicContact CZ3-CD1 4.1Å; W503-I514 HydrophobicContact CZ3-CG1 4.06Å; W503-F515 WeakPolarHBondContact CA-O 3.42Å; W503-P516 HydrophobicContact CE3-CG 4.46Å; W503-P516 HydrophobicContact CH2-CG 4Å; W503-P516 HydrophobicContact CZ2-CG 4.21Å; W503-P516 HydrophobicContact CZ3-CG 4.13Å |
| 504 | L | 87.8 | Confident | 82.6 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.7 | 178.7 | -59.8 | 176.9 | 0 | 0 | 0 | 110 | M471 I495 E498 I514 F515 | M471-L504 HydrophobicContact CE-CD1 4.19Å; M471-L504 HydrophobicContact SD-CD1 3.37Å; M471-L504 WeakPolarHBondContact SD-CD1 3.23Å; I495-L504 HydrophobicContact CD1-CB 4.4Å; I495-L504 HydrophobicContact CD1-CD1 4.1Å; I495-L504 HydrophobicContact CG2-CB 4.48Å; I495-L504 HydrophobicContact CG2-CD2 4.4Å; E498-L504 HydrophobicContact CB-CD2 4.15Å; E498-L504 HydrophobicContact CG-CD2 3.77Å; L504-I514 CarbonylContact O-C 3.55Å; L504-I514 VanDerWaalsContact O-CA 3.25Å; L504-I514 WeakPolarHBondContact O-CA 3.44Å; L504-F515 HydrophobicContact CB-CD1 4.44Å; L504-F515 HydrophobicContact CB-CE1 3.89Å; L504-F515 HydrophobicContact CB-CZ 3.96Å; L504-F515 HydrophobicContact CD1-CE2 4.44Å; L504-F515 HydrophobicContact CD1-CZ 4.13Å; L504-F515 PolarHBondContact N-O 3.4Å; L504-F515 WeakPolarHBondContact O-CD1 3.41Å; L504-F515 PolarHBondContact O-N 3.47Å |
| 505 | E | 89.1 | Confident | 83.1 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.1 | 166.3 | -170.3 | -179 | -161.3 | 0 | 0 | 108.2 | R465 L496 T497 V499 I512 G513 I514 | R465-E505 IonicContact CZ-OE1 3.43Å; R465-E505 VanDerWaalsContact CZ-OE1 3.28Å; R465-E505 IonicContact CZ-OE2 3.38Å; R465-E505 VanDerWaalsContact NH1-CD 3.32Å; R465-E505 IonicContact NH1-OE1 2.75Å; R465-E505 PolarHBondContact NH1-OE1 3.12Å; R465-E505 IonicContact NH1-OE2 2.72Å; R465-E505 IonicContact NH2-OE1 3.16Å; R465-E505 PolarHBondContact NH2-OE1 3.19Å; R465-E505 IonicContact NH2-OE2 3.24Å; R465-E505 PolarHBondContact NH2-OE2 3.25Å; L496-E505 PolarHBondContact N-O 3.26Å; T497-E505 PolarHBondContact N-O 3.1Å; T497-E505 PolarHBondContact O-N 3.28Å; V499-E505 HydrophobicContact CG2-CB 4.09Å; E505-I512 HydrophobicContact CG-CG2 4.07Å; E505-G513 WeakPolarHBondContact CA-O 3.43Å; E505-I514 HydrophobicContact CB-CG2 4.16Å; E505-I514 HydrophobicContact CG-CG2 4.33Å |
| 506 | G | 87.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 164.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | D494 I512 G513 | D494-G506 CarbonylContact O-C 3.55Å; D494-G506 VanDerWaalsContact O-CA 3.23Å; D494-G506 WeakPolarHBondContact O-CA 3.18Å; G506-I512 WeakPolarHBondContact O-CA 3.35Å; G506-G513 PolarHBondContact N-O 3Å; G506-G513 PolarHBondContact O-N 3.13Å; G506-G513 VanDerWaalsContact O-N 3.14Å |
| 507 | H | 83.9 | Confident | 83.5 | Confident | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.5 | 170.8 | 166.1 | -99.6 | 0 | 0 | 0 | 109.9 | L462 D494 L496 G510 N511 I512 | L462-H507 HydrophobicContact CD1-CB 4.4Å; D494-H507 HydrophobicContact CB-CB 4.27Å; D494-H507 PolarHBondContact N-O 2.71Å; D494-H507 PolarHBondContact O-N 3.42Å; D494-H507 IonicContact OD2-ND1 2.77Å; D494-H507 PolarHBondContact OD2-ND1 3.18Å; L496-H507 HydrophobicContact CD1-CB 4.11Å; L496-H507 HydrophobicContact CD2-CB 4.47Å; L496-H507 HydrophobicContact CG-CB 4.42Å; H507-G510 WeakPolarHBondContact NE2-CA 3.34Å; H507-N511 VanDerWaalsContact CA-O 3.32Å; H507-N511 WeakPolarHBondContact CA-O 3.31Å; H507-N511 PolarHBondContact CD2-O 3.25Å; H507-N511 VanDerWaalsContact CD2-O 3.24Å; H507-I512 HydrophobicContact CB-CG1 4.17Å |
| 508 | C | 80.4 | Confident | 83.9 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.054 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 140.2 | 176.2 | -166.7 | 0 | 0 | 0 | 0 | 110 | L485 F487 I493 G510 N511 | L485-C508 HydrophobicContact CD1-CB 4.17Å; L485-C508 HydrophobicContact CD2-CB 4.01Å; L485-C508 HydrophobicContact CG-CB 4.28Å; F487-C508 HydrophobicContact CB-CB 4.26Å; I493-C508 HydrophobicContact CG1-CB 4.48Å; C508-G510 PolarHBondContact O-N 3.14Å; C508-N511 PolarHBondContact N-O 3.11Å; C508-N511 PolarHBondContact O-N 3.05Å |
| 509 | A | 67.8 | Low | 84 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 19.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 510 | G | 66.7 | Low | 84.2 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 2.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H507 C508 | H507-G510 WeakPolarHBondContact NE2-CA 3.34Å; C508-G510 PolarHBondContact O-N 3.14Å |
| 511 | N | 72.8 | Confident | 84.5 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 149.4 | 173.8 | -62.1 | -29.2 | 0 | 0 | 0 | 109.7 | L485 H507 C508 | L485-N511 HydrophobicContact CD1-CB 4.05Å; L485-N511 WeakPolarHBondContact CD1-O 3.45Å; H507-N511 VanDerWaalsContact CA-O 3.32Å; H507-N511 WeakPolarHBondContact CA-O 3.31Å; H507-N511 PolarHBondContact CD2-O 3.25Å; H507-N511 VanDerWaalsContact CD2-O 3.24Å; C508-N511 PolarHBondContact N-O 3.11Å; C508-N511 PolarHBondContact O-N 3.05Å |
| 512 | I | 83.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.4 | 170.5 | -59.6 | -172.4 | 0 | 0 | 0 | 107.3 | P461 L496 E505 G506 H507 | P461-I512 HydrophobicContact CB-CD1 3.55Å; P461-I512 HydrophobicContact CB-CG1 4.26Å; P461-I512 HydrophobicContact CG-CD1 3.84Å; P461-I512 HydrophobicContact CG-CG1 4.14Å; L496-I512 HydrophobicContact CD1-CD1 3.84Å; L496-I512 HydrophobicContact CD1-CG1 4.3Å; L496-I512 HydrophobicContact CD1-CG2 3.98Å; E505-I512 HydrophobicContact CG-CG2 4.07Å; G506-I512 WeakPolarHBondContact O-CA 3.35Å; H507-I512 HydrophobicContact CB-CG1 4.17Å |
| 513 | G | 86.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E483 E505 G506 | E483-G513 CarbonylContact O-C 3.5Å; E483-G513 WeakPolarHBondContact O-CA 3.19Å; E505-G513 WeakPolarHBondContact CA-O 3.43Å; G506-G513 PolarHBondContact N-O 3Å; G506-G513 PolarHBondContact O-N 3.13Å; G506-G513 VanDerWaalsContact O-N 3.14Å |
| 514 | I | 90.1 | Very high | 81.5 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150.9 | 177 | 63.3 | 172.2 | 0 | 0 | 0 | 111.1 | E483 D484 L485 V499 W503 L504 E505 | E483-I514 WeakPolarHBondContact O-CG1 3.23Å; E483-I514 PolarHBondContact O-N 3.16Å; D484-I514 WeakPolarHBondContact CA-O 3.46Å; L485-I514 PolarHBondContact N-O 3.01Å; V499-I514 HydrophobicContact CG2-CG2 3.93Å; W503-I514 HydrophobicContact CE3-CB 4.1Å; W503-I514 HydrophobicContact CE3-CD1 3.91Å; W503-I514 HydrophobicContact CE3-CG1 3.98Å; W503-I514 HydrophobicContact CZ3-CD1 4.1Å; W503-I514 HydrophobicContact CZ3-CG1 4.06Å; L504-I514 CarbonylContact O-C 3.55Å; L504-I514 VanDerWaalsContact O-CA 3.25Å; L504-I514 WeakPolarHBondContact O-CA 3.44Å; E505-I514 HydrophobicContact CB-CG2 4.16Å; E505-I514 HydrophobicContact CG-CG2 4.33Å |
| 515 | F | 92.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 158.4 | 173.8 | 69.9 | -80.8 | 0 | 0 | 0 | 111 | Y477 L485 F487 I493 I495 W503 L504 F519 A520 | Y477-F515 HydrophobicContact CD1-CB 3.86Å; Y477-F515 HydrophobicContact CE1-CB 3.65Å; L485-F515 HydrophobicContact CB-CD1 4.41Å; L485-F515 HydrophobicContact CD2-CD1 3.9Å; L485-F515 HydrophobicContact CD2-CE1 4.19Å; F487-F515 HydrophobicContact CE1-CB 3.59Å; F487-F515 HydrophobicContact CE1-CD1 4.02Å; F487-F515 AromaticContact CE1-CD2 3.69Å; F487-F515 HydrophobicContact CE1-CD2 3.69Å; F487-F515 HydrophobicContact CE1-CE2 4.37Å; F487-F515 AromaticContact CE1-CG 3.48Å; F487-F515 HydrophobicContact CE1-CG 3.48Å; F487-F515 VanDerWaalsContact CE1-CG 3.48Å; F487-F515 HydrophobicContact CZ-CB 4Å; F487-F515 AromaticContact CZ-CD2 3.5Å; F487-F515 HydrophobicContact CZ-CD2 3.5Å; F487-F515 HydrophobicContact CZ-CE2 4.12Å; F487-F515 AromaticContact CZ-CG 3.81Å; F487-F515 HydrophobicContact CZ-CG 3.81Å; I493-F515 HydrophobicContact CD1-CE1 4.31Å; I493-F515 HydrophobicContact CD1-CE2 3.98Å; I493-F515 HydrophobicContact CD1-CZ 3.83Å; I493-F515 HydrophobicContact CG2-CE1 3.72Å; I493-F515 HydrophobicContact CG2-CZ 3.93Å; I495-F515 HydrophobicContact CD1-CE1 3.92Å; I495-F515 HydrophobicContact CD1-CZ 3.62Å; W503-F515 WeakPolarHBondContact CA-O 3.42Å; L504-F515 HydrophobicContact CB-CD1 4.44Å; L504-F515 HydrophobicContact CB-CE1 3.89Å; L504-F515 HydrophobicContact CB-CZ 3.96Å; L504-F515 HydrophobicContact CD1-CE2 4.44Å; L504-F515 HydrophobicContact CD1-CZ 4.13Å; L504-F515 PolarHBondContact N-O 3.4Å; L504-F515 WeakPolarHBondContact O-CD1 3.41Å; L504-F515 PolarHBondContact O-N 3.47Å; F515-F519 HydrophobicContact CD2-CB 4.42Å; F515-A520 HydrophobicContact CE2-CB 3.79Å; F515-A520 HydrophobicContact CZ-CB 4.33Å |
| 516 | P | 91.8 | Very high | 76.9 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 135.2 | 179.1 | -15.6 | 28.8 | 0 | 0 | 0 | 111.8 | Y477 E502 W503 S518 F519 | Y477-P516 HydrophobicContact CE2-CG 4.15Å; E502-P516 CarbonylContact O-C 3.44Å; E502-P516 VanDerWaalsContact O-CA 3.23Å; E502-P516 WeakPolarHBondContact O-CA 3.39Å; W503-P516 HydrophobicContact CE3-CG 4.46Å; W503-P516 HydrophobicContact CH2-CG 4Å; W503-P516 HydrophobicContact CZ2-CG 4.21Å; W503-P516 HydrophobicContact CZ3-CG 4.13Å; P516-S518 PolarHBondContact O-N 3.09Å; P516-S518 VanDerWaalsContact O-N 3.08Å; P516-F519 HydrophobicContact CB-CD2 3.91Å; P516-F519 HydrophobicContact CB-CE2 4.36Å; P516-F519 HydrophobicContact CG-CD2 4.04Å; P516-F519 HydrophobicContact CG-CE2 4.21Å; P516-F519 WeakPolarHBondContact O-CB 3.38Å; P516-F519 PolarHBondContact O-N 3.17Å |
| 517 | S | 88.9 | Confident | 74.6 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 27% | 0.266 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -59 | -26.1 | -177.7 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | Q501 E502 F519 A520 | Q501-S517 PolarHBondContact O-OG 2.97Å; E502-S517 PolarHBondContact O-N 3.17Å; E502-S517 PolarHBondContact O-OG 3.14Å; S517-F519 PolarHBondContact O-N 2.94Å; S517-A520 PolarHBondContact O-N 2.99Å |
| 518 | S | 90.1 | Very high | 72.3 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 53% | 0.531 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -68.7 | -12.7 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | P516 | P516-S518 PolarHBondContact O-N 3.09Å; P516-S518 VanDerWaalsContact O-N 3.08Å |
| 519 | F | 88.5 | Confident | 70.1 | Confident | 57 Ų | 57 | 81.8 Ų | 81.8 | 25% | 0.25 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -88.7 | -3.4 | 179.3 | -82.1 | -108.5 | 0 | 0 | 0 | 113.4 | A473 L474 Y475 Y477 F487 F515 P516 S517 | A473-F519 CarbonylContact C-O 3.58Å; A473-F519 WeakPolarHBondContact CA-O 3.03Å; L474-F519 PolarHBondContact N-O 3.1Å; Y475-F519 HydrophobicContact CD2-CD1 4.34Å; Y477-F519 AromaticContact CD2-CD1 3.91Å; Y477-F519 HydrophobicContact CD2-CD1 3.91Å; Y477-F519 AromaticContact CD2-CE1 3.86Å; Y477-F519 HydrophobicContact CD2-CE1 3.86Å; Y477-F519 HydrophobicContact CD2-CG 4.33Å; Y477-F519 HydrophobicContact CD2-CZ 4.21Å; Y477-F519 HydrophobicContact CG-CD1 4.27Å; F487-F519 HydrophobicContact CE2-CB 4.28Å; F487-F519 HydrophobicContact CZ-CB 4.06Å; F515-F519 HydrophobicContact CD2-CB 4.42Å; P516-F519 HydrophobicContact CB-CD2 3.91Å; P516-F519 HydrophobicContact CB-CE2 4.36Å; P516-F519 HydrophobicContact CG-CD2 4.04Å; P516-F519 HydrophobicContact CG-CE2 4.21Å; P516-F519 WeakPolarHBondContact O-CB 3.38Å; P516-F519 PolarHBondContact O-N 3.17Å; S517-F519 PolarHBondContact O-N 2.94Å |
| 520 | A | 87 | Confident | 68.3 | Low | 7 Ų | 7 | 90.2 Ų | 90.2 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | M471 V472 I493 F515 S517 | M471-A520 HydrophobicContact CB-CB 3.8Å; M471-A520 VanDerWaalsContact CE-C 3.46Å; M471-A520 HydrophobicContact CE-CB 3.97Å; M471-A520 WeakPolarHBondContact CE-O 3.49Å; M471-A520 HydrophobicContact SD-CB 4.43Å; V472-A520 CarbonylContact O-C 3.48Å; V472-A520 WeakPolarHBondContact O-CA 3.22Å; V472-A520 WeakPolarHBondContact O-CB 3.4Å; I493-A520 HydrophobicContact CD1-CB 4.14Å; F515-A520 HydrophobicContact CE2-CB 3.79Å; F515-A520 HydrophobicContact CZ-CB 4.33Å; S517-A520 PolarHBondContact O-N 2.99Å |
| 521 | Y | 85 | Confident | 68.4 | Low | 97 Ų | 97 | 93.7 Ų | 93.7 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.7 | 173.2 | 75.2 | -80 | 0 | 0 | 0 | 111.5 | M471 V472 L474 E523 | M471-Y521 CarbonylContact C-O 3.49Å; M471-Y521 VanDerWaalsContact CA-O 3.26Å; M471-Y521 WeakPolarHBondContact CA-O 3.44Å; M471-Y521 WeakPolarHBondContact CB-O 3.19Å; V472-Y521 HydrophobicContact CB-CD1 4.1Å; V472-Y521 HydrophobicContact CB-CE1 3.59Å; V472-Y521 HydrophobicContact CG1-CE1 3.82Å; V472-Y521 PolarHBondContact N-O 3.33Å; V472-Y521 VanDerWaalsContact O-CD1 3.32Å; V472-Y521 WeakPolarHBondContact O-CD1 3.34Å; V472-Y521 PolarHBondContact O-N 3.31Å; L474-Y521 HydrophobicContact CD2-CD1 3.3Å; L474-Y521 HydrophobicContact CD2-CE1 3.85Å; L474-Y521 HydrophobicContact CD2-CG 4.15Å; L474-Y521 HydrophobicContact CG-CD1 3.74Å; Y521-E523 HydrophobicContact CE2-CB 4.18Å |
| 522 | K | 79.7 | Confident | 68.2 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | trans | -85.8 | 117.5 | 173 | -170.8 | 171.9 | -176.5 | 168.5 | 0 | 108.7 | Y469 M471 N524 | Y469-K522 HydrophobicContact CD2-CD 4.07Å; Y469-K522 HydrophobicContact CE2-CD 4.45Å; M471-K522 HydrophobicContact CG-CB 4.39Å; K522-N524 PolarHBondContact O-N 3.42Å; K522-N524 VanDerWaalsContact O-N 3.1Å | ||
| 523 | E | 64.3 | Low | 67.4 | Low | 117 Ų | 117 | 96.4 Ų | 96.4 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | trans | -71.9 | 104.5 | 174.1 | -166.5 | 173.8 | -128.6 | 0 | 0 | 108.7 | Y521 K525 | Y521-E523 HydrophobicContact CE2-CB 4.18Å; E523-K525 PolarHBondContact O-N 3.49Å | ||
| 524 | N | 47.2 | Very low | 66.2 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 68% | 0.684 | 52% | 0.52 | S | S | * | . | trans | -70.1 | 101.2 | 172.3 | -85.1 | -15.3 | 0 | 0 | 0 | 108.5 | K522 S526 | K522-N524 PolarHBondContact O-N 3.42Å; K522-N524 VanDerWaalsContact O-N 3.1Å; N524-S526 PolarHBondContact O-N 3.22Å | ||
| 525 | K | 43 | Very low | 64.7 | Low | 197 Ų | 197 | 105.2 Ų | 105.2 | 86% | 0.857 | 54% | 0.538 | S | S | * | . | trans | -71.5 | 80.8 | 163.5 | -80.7 | -174.8 | 179.2 | 173.2 | 0 | 109.8 | E523 | E523-K525 PolarHBondContact O-N 3.49Š| ||
| 526 | S | 38 | Very low | 62.8 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | trans | -128.4 | 94.1 | 159.8 | 49.5 | 0 | 0 | 0 | 0 | 107.3 | N524 | N524-S526 PolarHBondContact O-N 3.22Š| ||
| 527 | I | 38.3 | Very low | 60.8 | Low | 164 Ų | 164 | 118.6 Ų | 118.6 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | trans | -174.9 | 91.4 | 143.9 | -75.6 | 132.9 | 0 | 0 | 0 | 105.9 | ||||
| 528 | I | 36 | Very low | 58.6 | Low | 171 Ų | 171 | 124.8 Ų | 124.8 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -143 | 91.8 | 135.8 | -54.7 | -176.2 | 0 | 0 | 0 | 106.2 | ||||
| 529 | Q | 33.9 | Very low | 56 | Low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -154.2 | 88.2 | 151 | -109.5 | -178.8 | 0.9 | 0 | 0 | 105.2 | ||||
| 530 | D | 31.2 | Very low | 53 | Low | 232 Ų | 232 | 135.5 Ų | 135.5 | 100% | 1.241 | 67% | 0.674 | S | S | * | * | -176.9 | 0 | 111.9 | -85.5 | -15.6 | 0 | 0 | 0 | 110.5 |
Retrieved 530 of 530 residues in 374.4 ms
(Link to these results)