| 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 | 53.3 | Low | 80.3 | Confident | 76 Ų | 76 | 35.6 Ų | 35.6 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | 0 | 131.7 | 0 | -63.4 | 172.2 | 77.1 | 0 | 0 | 108.4 | E187 V189 P208 F226 H248 | M1-E187 VanDerWaalsContact CE-CD 3.49Å; M1-E187 WeakPolarHBondContact CE-OE1 3.47Å; M1-V189 HydrophobicContact CE-CG2 3.89Å; M1-P208 HydrophobicContact SD-CB 4.32Å; M1-P208 HydrophobicContact SD-CG 4.01Å; M1-F226 HydrophobicContact CG-CD1 4.11Å; M1-F226 HydrophobicContact CG-CE1 3.71Å; M1-F226 HydrophobicContact CG-CE2 4.16Å; M1-F226 HydrophobicContact CG-CZ 3.75Å; M1-H248 VanDerWaalsContact CE-CD2 3.48Å; M1-H248 WeakPolarHBondContact CE-CD2 3.49Å; M1-H248 WeakPolarHBondContact CE-NE2 3.48Å | |||
| 2 | E | 57.5 | Low | 81.8 | Confident | 109 Ų | 109 | 32.9 Ų | 32.9 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | trans | -85.8 | 110.5 | 173.5 | -75.4 | 174.4 | 145.8 | 0 | 0 | 108.4 | D4 R224 | E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 3.06Å; E2-D4 VanDerWaalsContact O-N 3.17Å; E2-R224 IonicContact OE2-CZ 3.31Å; E2-R224 IonicContact OE2-NH1 3.69Å; E2-R224 PolarHBondContact OE2-NH1 3.49Å; E2-R224 IonicContact OE2-NH2 3.49Å; E2-R224 PolarHBondContact OE2-NH2 3.31Å | ||
| 3 | A | 58.4 | Low | 83 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.7 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N7 C247 H248 N250 | A3-N7 PolarHBondContact O-ND2 2.87Å; A3-C247 WeakPolarHBondContact CA-O 3.42Å; A3-C247 WeakPolarHBondContact CB-O 3.33Å; A3-H248 CarbonylContact O-C 3.51Å; A3-N250 HydrophobicContact CB-CB 3.59Å |
| 4 | D | 65.3 | Low | 84 | Confident | 81 Ų | 81 | 28.3 Ų | 28.3 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -8.7 | -171.6 | -79.9 | -42.7 | 0 | 0 | 0 | 115.3 | E2 N7 N250 | E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 3.06Å; E2-D4 VanDerWaalsContact O-N 3.17Å; D4-N7 PolarHBondContact O-OD1 3.49Å; D4-N7 PolarHBondContact OD1-ND2 2.95Å; D4-N7 VanDerWaalsContact OD1-ND2 3.09Å; D4-N250 PolarHBondContact OD2-ND2 3.19Å |
| 5 | E | 82.1 | Confident | 84.6 | Confident | 63 Ų | 63 | 26.4 Ų | 26.4 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -39.8 | -170.8 | -175 | 168.5 | -157.1 | 0 | 0 | 113.7 | K146 R224 | E5-K146 HydrophobicContact CG-CD 3.9Å; E5-K146 IonicContact OE1-NZ 3.99Å; E5-K146 PolarHBondContact OE1-NZ 2.63Å; E5-R224 IonicContact OE2-CZ 3.68Å; E5-R224 IonicContact OE2-NH1 3.21Å; E5-R224 IonicContact OE2-NH2 3.89Å; E5-R224 PolarHBondContact OE2-NH2 3.19Å |
| 6 | Y | 92.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -108.5 | 8.5 | -171 | -56.5 | -80.1 | 0 | 0 | 0 | 114.1 | G8 K146 S185 E187 R224 | Y6-G8 VanDerWaalsContact C-N 3.29Å; Y6-G8 PolarHBondContact O-N 3.22Å; Y6-K146 HydrophobicContact CD1-CB 4.34Å; Y6-S185 WeakPolarHBondContact CE1-OG 3.42Å; Y6-E187 HydrophobicContact CD1-CB 4.09Å; Y6-E187 HydrophobicContact CD2-CB 3.8Å; Y6-E187 HydrophobicContact CD2-CG 4.48Å; Y6-E187 HydrophobicContact CE2-CB 4.29Å; Y6-E187 HydrophobicContact CG-CB 3.69Å; Y6-R224 PolarHBondContact OH-NE 3.09Å |
| 7 | N | 91.2 | Very high | 85.6 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.3 | -172.4 | 72.7 | 13.9 | 0 | 0 | 0 | 114.2 | A3 D4 K9 K70 H248 Y249 | A3-N7 PolarHBondContact O-ND2 2.87Å; D4-N7 PolarHBondContact O-OD1 3.49Å; D4-N7 PolarHBondContact OD1-ND2 2.95Å; D4-N7 VanDerWaalsContact OD1-ND2 3.09Å; N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.9Å; N7-K70 WeakPolarHBondContact O-CD 3.47Å; N7-K70 PolarHBondContact OD1-NZ 3.47Å; N7-H248 WeakPolarHBondContact CB-O 3.39Å; N7-Y249 HydrophobicContact CB-CD1 3.79Å; N7-Y249 HydrophobicContact CB-CE1 4.01Å |
| 8 | G | 91.6 | Very high | 85.8 | Confident | 32 Ų | 32 | 26.8 Ų | 26.8 | 33% | 0.33 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y6 P71 | Y6-G8 VanDerWaalsContact C-N 3.29Å; Y6-G8 PolarHBondContact O-N 3.22Å; G8-P71 WeakPolarHBondContact O-CD 3.43Å |
| 9 | K | 95.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -161.5 | 145.6 | 170 | 56.5 | -173.7 | 169.5 | -167.1 | 0 | 110.4 | N7 P71 W87 L130 M132 T134 N145 G147 R148 | N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.9Å; K9-P71 HydrophobicContact CB-CG 4.32Å; K9-W87 HydrophobicContact CB-CD2 4.48Å; K9-W87 HydrophobicContact CB-CE3 4.38Å; K9-W87 HydrophobicContact CB-CH2 3.79Å; K9-W87 HydrophobicContact CB-CZ2 3.92Å; K9-W87 HydrophobicContact CB-CZ3 4.02Å; K9-W87 HydrophobicContact CD-CH2 4.45Å; K9-W87 HydrophobicContact CD-CZ2 3.74Å; K9-W87 HydrophobicContact CG-CH2 4.39Å; K9-W87 HydrophobicContact CG-CZ2 4.14Å; K9-L130 WeakPolarHBondContact CE-O 3.5Å; K9-L130 PolarHBondContact NZ-O 3.16Å; K9-M132 PolarHBondContact NZ-O 2.81Å; K9-T134 HydrophobicContact CB-CG2 4.12Å; K9-T134 HydrophobicContact CD-CG2 3.97Å; K9-N145 WeakPolarHBondContact CE-OD1 3.41Å; K9-N145 PolarHBondContact NZ-OD1 3.15Å; K9-G147 WeakPolarHBondContact O-CA 3.41Å; K9-R148 PolarHBondContact O-N 2.98Å | ||
| 10 | T | 97.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.8 | -177.4 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | L12 P71 I72 S73 W87 R148 V150 Y249 | T10-L12 HydrophobicContact CG2-CD2 4.03Å; T10-P71 PolarHBondContact N-O 3.06Å; T10-I72 CarbonylContact O-C 3.5Å; T10-I72 VanDerWaalsContact O-CA 3.28Å; T10-I72 WeakPolarHBondContact O-CA 3.44Å; T10-S73 PolarHBondContact O-N 3.17Å; T10-W87 WeakPolarHBondContact O-CH2 3.41Å; T10-R148 CarbonylContact C-O 3.51Å; T10-R148 WeakPolarHBondContact CA-O 3.46Å; T10-R148 HydrophobicContact CG2-CB 4.41Å; T10-R148 HydrophobicContact CG2-CG 4.45Å; T10-V150 HydrophobicContact CG2-CG2 4.21Å; T10-Y249 PolarHBondContact OG1-OH 3.5Å; T10-Y249 VanDerWaalsContact OG1-OH 3.11Å |
| 11 | V | 98.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.4 | 172.6 | -174 | 0 | 0 | 0 | 0 | 108.4 | V13 S73 V75 W87 A126 L129 L130 R148 V149 V150 | V11-V13 HydrophobicContact CG1-CG2 3.96Å; V11-S73 WeakPolarHBondContact CA-O 3.5Å; V11-V75 HydrophobicContact CG1-CG2 3.87Å; V11-W87 HydrophobicContact CG2-CH2 3.71Å; V11-W87 HydrophobicContact CG2-CZ2 3.93Å; V11-A126 HydrophobicContact CG1-CB 4.27Å; V11-L129 HydrophobicContact CG1-CD1 3.76Å; V11-L129 HydrophobicContact CG2-CB 3.73Å; V11-L129 HydrophobicContact CG2-CD1 4.17Å; V11-L130 HydrophobicContact CG2-CD2 4.46Å; V11-R148 PolarHBondContact N-O 3.21Å; V11-V149 HydrophobicContact CB-CG1 4.5Å; V11-V149 HydrophobicContact CB-CG2 4.29Å; V11-V149 CarbonylContact O-C 3.58Å; V11-V149 WeakPolarHBondContact O-CA 3.48Å; V11-V150 PolarHBondContact O-N 3.13Å |
| 12 | L | 98.5 | Very high | 88 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.8 | 169.7 | -56.3 | -175.3 | 0 | 0 | 0 | 108.3 | T10 I14 V55 Y58 I72 S73 I74 V75 V150 | T10-L12 HydrophobicContact CG2-CD2 4.03Å; L12-I14 HydrophobicContact CB-CD1 4.45Å; L12-I14 HydrophobicContact CB-CG1 4.33Å; L12-V55 HydrophobicContact CD1-CG1 3.65Å; L12-Y58 HydrophobicContact CD1-CD1 4.36Å; L12-I72 HydrophobicContact CD1-CG2 4.03Å; L12-I72 HydrophobicContact CG-CG2 3.96Å; L12-S73 PolarHBondContact N-O 2.72Å; L12-I74 HydrophobicContact CB-CD1 3.9Å; L12-I74 HydrophobicContact CD1-CD1 3.7Å; L12-I74 HydrophobicContact CG-CD1 4.1Å; L12-V75 PolarHBondContact O-N 2.99Å; L12-V150 WeakPolarHBondContact CA-O 3.33Å; L12-V150 HydrophobicContact CD2-CB 3.65Å; L12-V150 HydrophobicContact CD2-CG1 4.38Å; L12-V150 HydrophobicContact CD2-CG2 3.9Å |
| 13 | V | 97.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112.1 | 178 | -176 | 0 | 0 | 0 | 0 | 108 | V11 V75 F77 A126 V149 V150 V151 L152 | V11-V13 HydrophobicContact CG1-CG2 3.96Å; V13-V75 CarbonylContact C-O 3.54Å; V13-V75 WeakPolarHBondContact CA-O 3.48Å; V13-V75 HydrophobicContact CG2-CB 4.37Å; V13-F77 HydrophobicContact CG1-CD1 3.74Å; V13-F77 HydrophobicContact CG1-CE1 3.84Å; V13-A126 HydrophobicContact CG2-CB 3.83Å; V13-V149 HydrophobicContact CG2-CG1 3.69Å; V13-V150 PolarHBondContact N-O 3.45Å; V13-V151 HydrophobicContact CB-CG2 4.35Å; V13-V151 CarbonylContact O-C 3.59Å; V13-V151 WeakPolarHBondContact O-CA 3.38Å; V13-L152 PolarHBondContact O-N 3.29Å |
| 14 | I | 96.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.7 | -165.7 | -48 | 179.2 | 0 | 0 | 0 | 110.1 | L12 H16 W48 L51 V55 I74 V75 T76 F77 F101 L152 | L12-I14 HydrophobicContact CB-CD1 4.45Å; L12-I14 HydrophobicContact CB-CG1 4.33Å; I14-H16 PolarHBondContact O-N 3.45Å; I14-W48 HydrophobicContact CG2-CH2 4.49Å; I14-W48 HydrophobicContact CG2-CZ3 3.71Å; I14-L51 HydrophobicContact CG2-CD2 3.61Å; I14-L51 HydrophobicContact CG2-CG 4.24Å; I14-V55 HydrophobicContact CD1-CG1 4.16Å; I14-V55 HydrophobicContact CD1-CG2 4.15Å; I14-I74 HydrophobicContact CD1-CG2 4Å; I14-V75 PolarHBondContact N-O 2.77Å; I14-T76 HydrophobicContact CB-CG2 4.44Å; I14-T76 WeakPolarHBondContact O-CA 3.27Å; I14-F77 WeakPolarHBondContact O-CD1 3.35Å; I14-F77 PolarHBondContact O-N 2.8Å; I14-F77 VanDerWaalsContact O-N 3.08Å; I14-F101 HydrophobicContact CD1-CE1 3.93Å; I14-F101 HydrophobicContact CD1-CZ 3.78Å; I14-L152 HydrophobicContact CG1-CD1 4.11Å |
| 15 | N | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.4 | 173.8 | -173.2 | -6.7 | 0 | 0 | 0 | 111 | T17 V20 F77 L152 S153 | N15-T17 PolarHBondContact ND2-OG1 2.93Å; N15-T17 VanDerWaalsContact OD1-CB 3.25Å; N15-T17 WeakPolarHBondContact OD1-CB 3.49Å; N15-T17 VanDerWaalsContact OD1-CG2 3.25Å; N15-T17 WeakPolarHBondContact OD1-CG2 3.35Å; N15-T17 PolarHBondContact OD1-N 3.23Å; N15-T17 PolarHBondContact OD1-OG1 3.16Å; N15-V20 HydrophobicContact CB-CG1 4.34Å; N15-V20 VanDerWaalsContact O-CG2 3.29Å; N15-V20 WeakPolarHBondContact O-CG2 3.28Å; N15-F77 VanDerWaalsContact CA-CZ 3.42Å; N15-F77 HydrophobicContact CB-CE1 4.02Å; N15-F77 HydrophobicContact CB-CE2 3.86Å; N15-F77 HydrophobicContact CB-CZ 3.43Å; N15-F77 VanDerWaalsContact CB-CZ 3.43Å; N15-L152 WeakPolarHBondContact CB-O 3.36Å; N15-L152 PolarHBondContact N-O 3.37Å; N15-S153 WeakPolarHBondContact CB-OG 3.38Å; N15-S153 PolarHBondContact ND2-OG 3.15Å |
| 16 | H | 93.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | trans | -116.1 | 20.6 | 174.6 | -165.2 | -119.1 | 0 | 0 | 0 | 112.9 | I14 W48 F77 D78 E104 G105 P107 | I14-H16 PolarHBondContact O-N 3.45Å; H16-W48 HydrophobicContact CB-CH2 4.47Å; H16-W48 HydrophobicContact CB-CZ3 4.26Å; H16-W48 AromaticContact CD2-CD2 3.86Å; H16-W48 AromaticContact CD2-CE2 3.62Å; H16-W48 AromaticContact CD2-CE3 3.77Å; H16-W48 AromaticContact CD2-CH2 3.26Å; H16-W48 WeakPolarHBondContact CD2-CH2 3.42Å; H16-W48 AromaticContact CD2-CZ2 3.33Å; H16-W48 WeakPolarHBondContact CD2-CZ2 3.23Å; H16-W48 AromaticContact CD2-CZ3 3.48Å; H16-W48 VanDerWaalsContact CD2-CZ3 3.48Å; H16-W48 WeakPolarHBondContact CD2-CZ3 3.44Å; H16-W48 AromaticContact NE2-CE2 3.83Å; H16-W48 AromaticContact NE2-CH2 3.99Å; H16-W48 AromaticContact NE2-CZ2 3.6Å; H16-F77 WeakPolarHBondContact CA-O 3.5Å; H16-F77 PolarHBondContact N-O 3.09Å; H16-D78 HydrophobicContact CB-CB 4.48Å; H16-D78 IonicContact ND1-OD2 3.91Å; H16-E104 PolarHBondContact CE1-O 3.35Å; H16-E104 IonicContact ND1-OE2 3.78Å; H16-G105 PolarHBondContact NE2-O 2.96Å; H16-P107 WeakPolarHBondContact O-CB 3.33Å | ||
| 17 | T | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -78.9 | 171 | 173.9 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | N15 M19 V20 P107 L112 | N15-T17 PolarHBondContact ND2-OG1 2.93Å; N15-T17 VanDerWaalsContact OD1-CB 3.25Å; N15-T17 WeakPolarHBondContact OD1-CB 3.49Å; N15-T17 VanDerWaalsContact OD1-CG2 3.25Å; N15-T17 WeakPolarHBondContact OD1-CG2 3.35Å; N15-T17 PolarHBondContact OD1-N 3.23Å; N15-T17 PolarHBondContact OD1-OG1 3.16Å; T17-M19 PolarHBondContact O-N 3.48Å; T17-V20 WeakPolarHBondContact O-CG2 3.4Å; T17-V20 PolarHBondContact O-N 2.97Å; T17-P107 WeakPolarHBondContact O-CB 3.32Å; T17-L112 HydrophobicContact CG2-CB 4.12Å; T17-L112 HydrophobicContact CG2-CD2 4.18Å |
| 18 | H | 89.2 | Confident | 90.8 | Very high | 80 Ų | 80 | 31.3 Ų | 31.3 | 37% | 0.37 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -58.8 | -18.1 | 177.5 | 71.4 | -87 | 0 | 0 | 0 | 114.3 | V20 S21 S110 | H18-V20 VanDerWaalsContact C-N 3.3Å; H18-V20 PolarHBondContact O-N 3.46Å; H18-S21 WeakPolarHBondContact O-CB 3.32Å; H18-S21 PolarHBondContact O-N 3.25Å; H18-S21 PolarHBondContact O-OG 3.13Å; H18-S110 PolarHBondContact ND1-O 2.88Å |
| 19 | M | 87 | Confident | 90.2 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.9 | -43.6 | 178.3 | -68.6 | -174.5 | 70.2 | 0 | 0 | 111.8 | T17 S21 C22 F114 M154 | T17-M19 PolarHBondContact O-N 3.48Å; M19-S21 PolarHBondContact O-N 3.43Å; M19-C22 PolarHBondContact O-SG 3.04Å; M19-F114 HydrophobicContact SD-CB 3.73Å; M19-F114 HydrophobicContact SD-CD1 4.1Å; M19-F114 HydrophobicContact SD-CG 4.26Å; M19-M154 HydrophobicContact CE-CB 4.07Å |
| 20 | V | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -82.5 | 4 | 179.8 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | N15 T17 H18 C22 I47 W48 P107 M154 | N15-V20 HydrophobicContact CB-CG1 4.34Å; N15-V20 VanDerWaalsContact O-CG2 3.29Å; N15-V20 WeakPolarHBondContact O-CG2 3.28Å; T17-V20 WeakPolarHBondContact O-CG2 3.4Å; T17-V20 PolarHBondContact O-N 2.97Å; H18-V20 VanDerWaalsContact C-N 3.3Å; H18-V20 PolarHBondContact O-N 3.46Å; V20-C22 VanDerWaalsContact C-N 3.35Å; V20-I47 HydrophobicContact CB-CG2 4.22Å; V20-I47 HydrophobicContact CG1-CG2 4.21Å; V20-W48 HydrophobicContact CB-CB 4.38Å; V20-W48 HydrophobicContact CG2-CB 4.23Å; V20-W48 HydrophobicContact CG2-CE3 4.23Å; V20-W48 WeakPolarHBondContact O-CB 3.44Å; V20-W48 PolarHBondContact O-N 3.35Å; V20-P107 HydrophobicContact CG2-CB 4.46Å; V20-P107 HydrophobicContact CG2-CG 3.76Å; V20-M154 HydrophobicContact CB-SD 4.47Å; V20-M154 HydrophobicContact CG1-CG 3.92Å; V20-M154 HydrophobicContact CG1-SD 3.88Å |
| 21 | S | 90.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -82.1 | -13.1 | 175.9 | 76.1 | 0 | 0 | 0 | 0 | 113.8 | H18 M19 | H18-S21 WeakPolarHBondContact O-CB 3.32Å; H18-S21 PolarHBondContact O-N 3.25Å; H18-S21 PolarHBondContact O-OG 3.13Å; M19-S21 PolarHBondContact O-N 3.43Å |
| 22 | C | 88.5 | Confident | 85.2 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 35% | 0.345 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -67.8 | 161.8 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | M19 V20 S46 I47 | M19-C22 PolarHBondContact O-SG 3.04Å; V20-C22 VanDerWaalsContact C-N 3.35Å; C22-S46 CarbonylContact O-C 3.57Å; C22-S46 VanDerWaalsContact O-CA 3.28Å; C22-S46 WeakPolarHBondContact O-CA 3.43Å; C22-I47 PolarHBondContact O-N 3.22Å; C22-I47 WeakPolarHBondContact SG-CD1 3.33Å |
| 23 | F | 90 | Very high | 83.2 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.7 | -179.5 | -63 | -60.8 | 0 | 0 | 0 | 111.5 | G25 Q44 K45 | F23-G25 VanDerWaalsContact C-N 3.3Å; F23-G25 PolarHBondContact O-N 3.16Å; F23-Q44 HydrophobicContact CB-CB 4.25Å; F23-Q44 HydrophobicContact CD1-CB 3.48Å; F23-Q44 VanDerWaalsContact CD1-CB 3.48Å; F23-Q44 HydrophobicContact CE1-CB 3.99Å; F23-Q44 HydrophobicContact CG-CB 3.95Å; F23-K45 WeakPolarHBondContact CA-O 3.45Å |
| 24 | S | 87.1 | Confident | 81 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -29.2 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | D26 K45 N50 A196 A232 | S24-D26 PolarHBondContact OG-N 2.96Å; S24-D26 PolarHBondContact OG-OD2 3.03Å; S24-K45 PolarHBondContact N-O 3.49Å; S24-K45 PolarHBondContact OG-O 3Å; S24-N50 WeakPolarHBondContact CB-ND2 3.39Å; S24-N50 PolarHBondContact OG-ND2 3.25Å; S24-N50 VanDerWaalsContact OG-ND2 3.1Å; S24-A196 WeakPolarHBondContact O-CB 3.48Å; S24-A196 PolarHBondContact O-N 3.38Å; S24-A232 VanDerWaalsContact CB-O 3.26Å; S24-A232 WeakPolarHBondContact CB-O 3.5Å |
| 25 | G | 82.4 | Confident | 79 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.5 | -3.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F23 | F23-G25 VanDerWaalsContact C-N 3.3Å; F23-G25 PolarHBondContact O-N 3.16Å |
| 26 | D | 81.8 | Confident | 77 | Confident | 31 Ų | 31 | 76 Ų | 76 | 17% | 0.166 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.6 | 175.5 | -56.2 | -62.3 | 0 | 0 | 0 | 111.4 | S24 Q44 N50 T233 S234 | S24-D26 PolarHBondContact OG-N 2.96Å; S24-D26 PolarHBondContact OG-OD2 3.03Å; D26-Q44 WeakPolarHBondContact O-CA 3.37Å; D26-N50 PolarHBondContact OD2-ND2 3.07Å; D26-T233 VanDerWaalsContact OD1-CB 3.26Å; D26-T233 WeakPolarHBondContact OD1-CB 3.49Å; D26-T233 WeakPolarHBondContact OD1-CG2 3.34Å; D26-T233 VanDerWaalsContact OD2-CA 3.27Å; D26-T233 WeakPolarHBondContact OD2-CA 3.32Å; D26-S234 PolarHBondContact OD1-N 3.24Å; D26-S234 PolarHBondContact OD2-N 3.47Å |
| 27 | E | 83.7 | Confident | 75.2 | Confident | 121 Ų | 121 | 80.1 Ų | 80.1 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.2 | 172.1 | -64.9 | -172.5 | 166.4 | 0 | 0 | 111.1 | Q44 | E27-Q44 HydrophobicContact CG-CG 4.4Å |
| 28 | L | 80.8 | Confident | 73.5 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.6 | 168.9 | -62.4 | 175.3 | 0 | 0 | 0 | 109.2 | L30 F43 K45 | L28-L30 PolarHBondContact O-N 3.02Å; L28-F43 HydrophobicContact CB-CB 4.25Å; L28-F43 PolarHBondContact N-O 2.97Å; L28-F43 PolarHBondContact O-N 2.88Å; L28-K45 HydrophobicContact CD1-CD 4.21Å; L28-K45 HydrophobicContact CD1-CG 3.75Å; L28-K45 HydrophobicContact CG-CG 4.36Å |
| 29 | N | 78.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.3 | 170.5 | -70.9 | -67.9 | 0 | 0 | 0 | 109 | D31 T42 | N29-D31 PolarHBondContact O-N 3.26Å; N29-T42 VanDerWaalsContact OD1-CG2 3.22Å; N29-T42 WeakPolarHBondContact OD1-CG2 3.48Å |
| 30 | L | 69.3 | Low | 71 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 101.4 | 166.9 | -67.5 | -179.1 | 0 | 0 | 0 | 108 | L28 A32 F43 | L28-L30 PolarHBondContact O-N 3.02Å; L30-A32 PolarHBondContact O-N 3.47Å; L30-A32 VanDerWaalsContact O-N 3.12Å; L30-F43 HydrophobicContact CB-CE2 4.48Å; L30-F43 HydrophobicContact CD1-CD2 3.72Å; L30-F43 HydrophobicContact CD1-CE2 3.52Å; L30-F43 HydrophobicContact CD1-CZ 4.34Å; L30-F43 HydrophobicContact CG-CD2 4.04Å; L30-F43 HydrophobicContact CG-CE2 4.18Å |
| 31 | D | 63.2 | Low | 70.1 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | trans | -64.7 | 113.4 | 167.4 | -93.3 | -20.4 | 0 | 0 | 0 | 108 | N29 G33 | N29-D31 PolarHBondContact O-N 3.26Å; D31-G33 PolarHBondContact O-N 2.83Å | ||
| 32 | A | 55.2 | Low | 69.5 | Low | 62 Ų | 62 | 101.1 Ų | 101.1 | 51% | 0.512 | 56% | 0.557 | S | S | . | * | trans | -62.4 | 103.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | L30 V34 | L30-A32 PolarHBondContact O-N 3.47Å; L30-A32 VanDerWaalsContact O-N 3.12Å; A32-V34 PolarHBondContact O-N 3.32Å | ||
| 33 | G | 55.3 | Low | 69.3 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 87% | 0.866 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -64.9 | 23.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | D31 | D31-G33 PolarHBondContact O-N 2.83Š|
| 34 | V | 53 | Low | 69.1 | Low | 105 Ų | 105 | 100.9 Ų | 100.9 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -132.2 | 123.6 | 179 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | A32 F36 | A32-V34 PolarHBondContact O-N 3.32Å; V34-F36 PolarHBondContact O-N 3.34Å |
| 35 | K | 54.3 | Low | 69.2 | Low | 201 Ų | 201 | 102.7 Ų | 102.7 | 87% | 0.874 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 11.7 | -172.9 | -69.3 | -176 | 174.5 | -179.2 | 0 | 117.3 | ||
| 36 | F | 52.2 | Low | 69.7 | Low | 185 Ų | 185 | 101.9 Ų | 101.9 | 81% | 0.811 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | 2.4 | -168.9 | -70.7 | -76.8 | 0 | 0 | 0 | 116.1 | V34 | V34-F36 PolarHBondContact O-N 3.34Š|
| 37 | V | 54.4 | Low | 70.3 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | trans | -136.2 | 103.7 | 172.6 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | T39 | V37-T39 WeakPolarHBondContact CG1-OG1 3.49Å; V37-T39 PolarHBondContact O-N 3.17Å | ||
| 38 | N | 56.3 | Low | 70.9 | Confident | 172 Ų | 172 | 95.2 Ų | 95.2 | 92% | 0.92 | 51% | 0.514 | S | S | * | . | trans | -77.8 | 35.2 | 178.1 | -91.8 | -1.3 | 0 | 0 | 0 | 113.2 | K40 | N38-K40 PolarHBondContact O-N 3.21Š| ||
| 39 | T | 59.4 | Low | 71.5 | Confident | 99 Ų | 99 | 93.9 Ų | 93.9 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | trans | -96.7 | 92.4 | 176.2 | -41.1 | 0 | 0 | 0 | 0 | 108.3 | V37 M41 | V37-T39 WeakPolarHBondContact CG1-OG1 3.49Å; V37-T39 PolarHBondContact O-N 3.17Å; T39-M41 PolarHBondContact O-N 3.26Å | ||
| 40 | K | 64.9 | Low | 72.3 | Confident | 158 Ų | 158 | 89.4 Ų | 89.4 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | trans | -65 | 115.3 | 166.6 | -74.1 | -171.7 | 173.9 | -170.6 | 0 | 107.8 | N38 | N38-K40 PolarHBondContact O-N 3.21Š| ||
| 41 | M | 71.2 | Confident | 73.6 | Confident | 113 Ų | 113 | 84.2 Ų | 84.2 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.9 | 174.5 | -164 | 165.5 | -174.9 | 0 | 0 | 107.9 | T39 F43 | T39-M41 PolarHBondContact O-N 3.26Å; M41-F43 HydrophobicContact CB-CE2 3.88Å; M41-F43 HydrophobicContact CB-CZ 4.46Å; M41-F43 HydrophobicContact CE-CE1 4.07Å; M41-F43 HydrophobicContact CE-CZ 3.76Å; M41-F43 HydrophobicContact CG-CD2 4.31Å; M41-F43 HydrophobicContact CG-CE2 3.53Å; M41-F43 HydrophobicContact CG-CZ 3.71Å; M41-F43 HydrophobicContact SD-CE1 4.4Å; M41-F43 HydrophobicContact SD-CE2 3.91Å; M41-F43 HydrophobicContact SD-CZ 3.51Å; M41-F43 VanDerWaalsContact SD-CZ 3.51Å |
| 42 | T | 78 | Confident | 75.2 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.7 | 174 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | N29 | N29-T42 VanDerWaalsContact OD1-CG2 3.22Å; N29-T42 WeakPolarHBondContact OD1-CG2 3.48Å |
| 43 | F | 83.5 | Confident | 77.1 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 37% | 0.373 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.5 | 170.9 | -66.7 | -93.3 | 0 | 0 | 0 | 108.9 | L28 L30 M41 | L28-F43 HydrophobicContact CB-CB 4.25Å; L28-F43 PolarHBondContact N-O 2.97Å; L28-F43 PolarHBondContact O-N 2.88Å; L30-F43 HydrophobicContact CB-CE2 4.48Å; L30-F43 HydrophobicContact CD1-CD2 3.72Å; L30-F43 HydrophobicContact CD1-CE2 3.52Å; L30-F43 HydrophobicContact CD1-CZ 4.34Å; L30-F43 HydrophobicContact CG-CD2 4.04Å; L30-F43 HydrophobicContact CG-CE2 4.18Å; M41-F43 HydrophobicContact CB-CE2 3.88Å; M41-F43 HydrophobicContact CB-CZ 4.46Å; M41-F43 HydrophobicContact CE-CE1 4.07Å; M41-F43 HydrophobicContact CE-CZ 3.76Å; M41-F43 HydrophobicContact CG-CD2 4.31Å; M41-F43 HydrophobicContact CG-CE2 3.53Å; M41-F43 HydrophobicContact CG-CZ 3.71Å; M41-F43 HydrophobicContact SD-CE1 4.4Å; M41-F43 HydrophobicContact SD-CE2 3.91Å; M41-F43 HydrophobicContact SD-CZ 3.51Å; M41-F43 VanDerWaalsContact SD-CZ 3.51Å |
| 44 | Q | 86.7 | Confident | 79 | Confident | 83 Ų | 83 | 76 Ų | 76 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.1 | 171.2 | -69.6 | -173.7 | -22.4 | 0 | 0 | 109.6 | F23 D26 E27 | F23-Q44 HydrophobicContact CB-CB 4.25Å; F23-Q44 HydrophobicContact CD1-CB 3.48Å; F23-Q44 VanDerWaalsContact CD1-CB 3.48Å; F23-Q44 HydrophobicContact CE1-CB 3.99Å; F23-Q44 HydrophobicContact CG-CB 3.95Å; D26-Q44 WeakPolarHBondContact O-CA 3.37Å; E27-Q44 HydrophobicContact CG-CG 4.4Å |
| 45 | K | 89.5 | Confident | 81.1 | Confident | 39 Ų | 39 | 71 Ų | 71 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 146.7 | 172.9 | -68.1 | -172.4 | -179.3 | -172.6 | 0 | 109.7 | F23 S24 L28 N50 E53 | F23-K45 WeakPolarHBondContact CA-O 3.45Å; S24-K45 PolarHBondContact N-O 3.49Å; S24-K45 PolarHBondContact OG-O 3Å; L28-K45 HydrophobicContact CD1-CD 4.21Å; L28-K45 HydrophobicContact CD1-CG 3.75Å; L28-K45 HydrophobicContact CG-CG 4.36Å; K45-N50 WeakPolarHBondContact CD-OD1 3.45Å; K45-E53 IonicContact NZ-OE1 3.36Å; K45-E53 PolarHBondContact NZ-OE1 2.61Å; K45-E53 IonicContact NZ-OE2 3.08Å; K45-E53 PolarHBondContact NZ-OE2 3.47Å |
| 46 | S | 92.6 | Very high | 83.2 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 156.5 | 166.2 | 69.4 | 0 | 0 | 0 | 0 | 110.1 | C22 W48 S49 N50 | C22-S46 CarbonylContact O-C 3.57Å; C22-S46 VanDerWaalsContact O-CA 3.28Å; C22-S46 WeakPolarHBondContact O-CA 3.43Å; S46-W48 PolarHBondContact O-N 3.14Å; S46-S49 WeakPolarHBondContact O-CB 3.21Å; S46-S49 PolarHBondContact O-N 3.45Å; S46-S49 VanDerWaalsContact O-N 3.13Å; S46-S49 PolarHBondContact OG-N 2.99Å; S46-S49 PolarHBondContact OG-OG 3.4Å; S46-N50 PolarHBondContact O-N 3.41Å |
| 47 | I | 94.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -41.2 | 170.9 | -68.2 | -177.1 | 0 | 0 | 0 | 110.5 | V20 C22 S49 N50 L51 M154 L193 P195 A232 | V20-I47 HydrophobicContact CB-CG2 4.22Å; V20-I47 HydrophobicContact CG1-CG2 4.21Å; C22-I47 PolarHBondContact O-N 3.22Å; C22-I47 WeakPolarHBondContact SG-CD1 3.33Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 3.15Å; I47-N50 PolarHBondContact O-N 3.12Å; I47-L51 VanDerWaalsContact O-CB 3.27Å; I47-L51 WeakPolarHBondContact O-CB 3.34Å; I47-L51 PolarHBondContact O-N 3.45Å; I47-M154 HydrophobicContact CD1-CE 3.4Å; I47-M154 HydrophobicContact CD1-SD 3.63Å; I47-M154 HydrophobicContact CG2-SD 4.21Å; I47-L193 HydrophobicContact CG2-CD1 4.14Å; I47-P195 HydrophobicContact CD1-CB 4.27Å; I47-A232 HydrophobicContact CB-CB 4.24Å; I47-A232 HydrophobicContact CD1-CB 3.66Å; I47-A232 HydrophobicContact CG1-CB 3.62Å; I47-A232 HydrophobicContact CG2-CB 3.84Å |
| 48 | W | 95.3 | Very high | 87.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 174.1 | 171.3 | -105.1 | 0 | 0 | 0 | 112.7 | I14 H16 V20 S46 N50 L51 V52 T76 F101 G105 P107 | I14-W48 HydrophobicContact CG2-CH2 4.49Å; I14-W48 HydrophobicContact CG2-CZ3 3.71Å; H16-W48 HydrophobicContact CB-CH2 4.47Å; H16-W48 HydrophobicContact CB-CZ3 4.26Å; H16-W48 AromaticContact CD2-CD2 3.86Å; H16-W48 AromaticContact CD2-CE2 3.62Å; H16-W48 AromaticContact CD2-CE3 3.77Å; H16-W48 AromaticContact CD2-CH2 3.26Å; H16-W48 WeakPolarHBondContact CD2-CH2 3.42Å; H16-W48 AromaticContact CD2-CZ2 3.33Å; H16-W48 WeakPolarHBondContact CD2-CZ2 3.23Å; H16-W48 AromaticContact CD2-CZ3 3.48Å; H16-W48 VanDerWaalsContact CD2-CZ3 3.48Å; H16-W48 WeakPolarHBondContact CD2-CZ3 3.44Å; H16-W48 AromaticContact NE2-CE2 3.83Å; H16-W48 AromaticContact NE2-CH2 3.99Å; H16-W48 AromaticContact NE2-CZ2 3.6Å; V20-W48 HydrophobicContact CB-CB 4.38Å; V20-W48 HydrophobicContact CG2-CB 4.23Å; V20-W48 HydrophobicContact CG2-CE3 4.23Å; V20-W48 WeakPolarHBondContact O-CB 3.44Å; V20-W48 PolarHBondContact O-N 3.35Å; S46-W48 PolarHBondContact O-N 3.14Å; W48-N50 PolarHBondContact O-N 3.37Å; W48-L51 PolarHBondContact O-N 3.01Å; W48-V52 HydrophobicContact CD2-CG2 3.86Å; W48-V52 VanDerWaalsContact CE2-CG2 3.44Å; W48-V52 HydrophobicContact CE3-CG2 4.26Å; W48-V52 HydrophobicContact CG-CG2 4.45Å; W48-V52 HydrophobicContact CH2-CG2 3.94Å; W48-V52 HydrophobicContact CZ2-CG2 3.5Å; W48-V52 HydrophobicContact CZ3-CG2 4.3Å; W48-V52 WeakPolarHBondContact O-CG2 3.41Å; W48-V52 PolarHBondContact O-N 2.95Å; W48-T76 HydrophobicContact CH2-CG2 4.45Å; W48-F101 HydrophobicContact CH2-CD1 4.02Å; W48-F101 HydrophobicContact CH2-CE1 4.11Å; W48-F101 HydrophobicContact CZ2-CD1 4Å; W48-G105 PolarHBondContact NE1-O 3.31Å; W48-P107 HydrophobicContact CB-CG 3.73Å; W48-P107 VanDerWaalsContact CD1-CD 3.44Å; W48-P107 HydrophobicContact CD2-CG 3.99Å; W48-P107 HydrophobicContact CE3-CG 4.38Å; W48-P107 VanDerWaalsContact CG-CD 3.41Å; W48-P107 HydrophobicContact CG-CG 3.69Å |
| 49 | S | 94.3 | Very high | 89.2 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 33% | 0.329 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | S46 I47 L51 V52 E53 | S46-S49 WeakPolarHBondContact O-CB 3.21Å; S46-S49 PolarHBondContact O-N 3.45Å; S46-S49 VanDerWaalsContact O-N 3.13Å; S46-S49 PolarHBondContact OG-N 2.99Å; S46-S49 PolarHBondContact OG-OG 3.4Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 3.15Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.21Å; S49-V52 PolarHBondContact O-N 3.1Å; S49-E53 WeakPolarHBondContact O-CG 3.36Å; S49-E53 PolarHBondContact O-N 3.47Å; S49-E53 VanDerWaalsContact O-N 3.08Å |
| 50 | N | 95.2 | Very high | 91 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 177 | -74.6 | -10 | 0 | 0 | 0 | 112.2 | S24 D26 K45 S46 I47 W48 E53 A54 A232 S234 L237 | S24-N50 WeakPolarHBondContact CB-ND2 3.39Å; S24-N50 PolarHBondContact OG-ND2 3.25Å; S24-N50 VanDerWaalsContact OG-ND2 3.1Å; D26-N50 PolarHBondContact OD2-ND2 3.07Å; K45-N50 WeakPolarHBondContact CD-OD1 3.45Å; S46-N50 PolarHBondContact O-N 3.41Å; I47-N50 PolarHBondContact O-N 3.12Å; W48-N50 PolarHBondContact O-N 3.37Å; N50-E53 PolarHBondContact O-N 3.08Å; N50-A54 WeakPolarHBondContact O-CB 3.31Å; N50-A54 PolarHBondContact O-N 2.63Å; N50-A232 PolarHBondContact ND2-O 3.39Å; N50-S234 PolarHBondContact ND2-N 2.86Å; N50-L237 HydrophobicContact CB-CD2 4.01Å |
| 51 | L | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 178.8 | -178.8 | 57.6 | 0 | 0 | 0 | 111.5 | I14 I47 W48 S49 E53 A54 V55 L152 L193 L237 | I14-L51 HydrophobicContact CG2-CD2 3.61Å; I14-L51 HydrophobicContact CG2-CG 4.24Å; I47-L51 VanDerWaalsContact O-CB 3.27Å; I47-L51 WeakPolarHBondContact O-CB 3.34Å; I47-L51 PolarHBondContact O-N 3.45Å; W48-L51 PolarHBondContact O-N 3.01Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.21Å; L51-E53 PolarHBondContact O-N 2.88Å; L51-A54 PolarHBondContact O-N 3.09Å; L51-V55 HydrophobicContact CD1-CG2 4.16Å; L51-V55 WeakPolarHBondContact O-CB 2.94Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.49Å; L51-L152 HydrophobicContact CD1-CB 4.06Å; L51-L152 HydrophobicContact CD1-CD1 4.12Å; L51-L152 HydrophobicContact CD1-CD2 3.92Å; L51-L152 HydrophobicContact CD1-CG 4.25Å; L51-L152 HydrophobicContact CD2-CB 4.27Å; L51-L193 HydrophobicContact CD1-CD1 3.9Å; L51-L193 HydrophobicContact CD2-CD1 3.84Å; L51-L193 HydrophobicContact CG-CD1 4.33Å; L51-L237 HydrophobicContact CB-CD2 4.16Å; L51-L237 HydrophobicContact CD1-CD2 4.28Å |
| 52 | V | 96.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 175 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | W48 S49 A54 V55 I56 F101 | W48-V52 HydrophobicContact CD2-CG2 3.86Å; W48-V52 VanDerWaalsContact CE2-CG2 3.44Å; W48-V52 HydrophobicContact CE3-CG2 4.26Å; W48-V52 HydrophobicContact CG-CG2 4.45Å; W48-V52 HydrophobicContact CH2-CG2 3.94Å; W48-V52 HydrophobicContact CZ2-CG2 3.5Å; W48-V52 HydrophobicContact CZ3-CG2 4.3Å; W48-V52 WeakPolarHBondContact O-CG2 3.41Å; W48-V52 PolarHBondContact O-N 2.95Å; S49-V52 PolarHBondContact O-N 3.1Å; V52-A54 PolarHBondContact O-N 3.24Å; V52-V55 PolarHBondContact O-N 3.5Å; V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.42Å; V52-I56 WeakPolarHBondContact O-CB 3.43Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.39Å; V52-I56 PolarHBondContact O-N 3.45Å; V52-F101 HydrophobicContact CB-CD1 4.49Å; V52-F101 HydrophobicContact CB-CG 4.45Å; V52-F101 HydrophobicContact CG1-CB 3.78Å; V52-F101 HydrophobicContact CG1-CD1 4.14Å; V52-F101 HydrophobicContact CG1-CD2 3.76Å; V52-F101 HydrophobicContact CG1-CE2 4.35Å; V52-F101 HydrophobicContact CG1-CG 3.63Å; V52-F101 HydrophobicContact CG2-CB 4.47Å; V52-F101 HydrophobicContact CG2-CD1 3.67Å; V52-F101 HydrophobicContact CG2-CE1 3.99Å; V52-F101 HydrophobicContact CG2-CG 4.05Å |
| 53 | E | 94.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 23.5 Ų | 23.5 | 38% | 0.379 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 177.2 | -75 | 177.2 | -176.9 | 0 | 0 | 112.1 | K45 S49 N50 L51 I56 Q57 | K45-E53 IonicContact NZ-OE1 3.36Å; K45-E53 PolarHBondContact NZ-OE1 2.61Å; K45-E53 IonicContact NZ-OE2 3.08Å; K45-E53 PolarHBondContact NZ-OE2 3.47Å; S49-E53 WeakPolarHBondContact O-CG 3.36Å; S49-E53 PolarHBondContact O-N 3.47Å; S49-E53 VanDerWaalsContact O-N 3.08Å; N50-E53 PolarHBondContact O-N 3.08Å; L51-E53 PolarHBondContact O-N 2.88Å; E53-I56 PolarHBondContact O-N 3.25Å; E53-Q57 WeakPolarHBondContact O-CG 3.42Å; E53-Q57 PolarHBondContact O-N 3.37Å; E53-Q57 VanDerWaalsContact O-N 3.09Å |
| 54 | A | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N50 L51 V52 Q57 Y58 L237 L241 | N50-A54 WeakPolarHBondContact O-CB 3.31Å; N50-A54 PolarHBondContact O-N 2.63Å; L51-A54 PolarHBondContact O-N 3.09Å; V52-A54 PolarHBondContact O-N 3.24Å; A54-Q57 PolarHBondContact O-N 3.35Å; A54-Y58 PolarHBondContact O-N 3.11Å; A54-L237 HydrophobicContact CB-CD2 4.36Å; A54-L237 HydrophobicContact CB-CG 3.87Å; A54-L241 HydrophobicContact CB-CB 4.44Å; A54-L241 HydrophobicContact CB-CD1 4.2Å; A54-L241 HydrophobicContact CB-CD2 3.86Å; A54-L241 HydrophobicContact CB-CG 4.39Å |
| 55 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L12 I14 L51 V52 Q57 Y58 C59 I74 F101 L152 L241 | L12-V55 HydrophobicContact CD1-CG1 3.65Å; I14-V55 HydrophobicContact CD1-CG1 4.16Å; I14-V55 HydrophobicContact CD1-CG2 4.15Å; L51-V55 HydrophobicContact CD1-CG2 4.16Å; L51-V55 WeakPolarHBondContact O-CB 2.94Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.49Å; V52-V55 PolarHBondContact O-N 3.5Å; V55-Q57 VanDerWaalsContact C-N 3.29Å; V55-Q57 PolarHBondContact O-N 3.02Å; V55-Y58 WeakPolarHBondContact O-CB 3.34Å; V55-Y58 PolarHBondContact O-N 3.14Å; V55-C59 PolarHBondContact O-N 3.09Å; V55-C59 PolarHBondContact O-SG 2.88Å; V55-C59 VanDerWaalsContact O-SG 3.35Å; V55-I74 HydrophobicContact CG1-CD1 4.3Å; V55-F101 HydrophobicContact CB-CZ 4.36Å; V55-F101 HydrophobicContact CG1-CE2 4.01Å; V55-F101 HydrophobicContact CG1-CZ 3.8Å; V55-L152 HydrophobicContact CG2-CD1 3.68Å; V55-L241 HydrophobicContact CG2-CD2 3.83Å |
| 56 | I | 96.9 | Very high | 96 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 11% | 0.113 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.9 | -72.3 | 166.9 | 0 | 0 | 0 | 110.5 | V52 E53 C59 R60 L94 I97 W98 F101 | V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.42Å; V52-I56 WeakPolarHBondContact O-CB 3.43Å; V52-I56 VanDerWaalsContact O-CG1 3.25Å; V52-I56 WeakPolarHBondContact O-CG1 3.39Å; V52-I56 PolarHBondContact O-N 3.45Å; E53-I56 PolarHBondContact O-N 3.25Å; I56-C59 PolarHBondContact O-N 2.77Å; I56-R60 WeakPolarHBondContact O-CB 3.41Å; I56-R60 PolarHBondContact O-N 2.9Å; I56-L94 HydrophobicContact CG2-CD2 4.12Å; I56-I97 HydrophobicContact CG1-CG2 4.01Å; I56-W98 HydrophobicContact CD1-CE3 3.91Å; I56-W98 HydrophobicContact CD1-CZ3 4.14Å; I56-F101 HydrophobicContact CD1-CD2 4.09Å; I56-F101 HydrophobicContact CG1-CD2 3.99Å; I56-F101 HydrophobicContact CG1-CE2 4.06Å |
| 57 | Q | 95.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 18.4 Ų | 18.4 | 23% | 0.229 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 177 | -71.4 | -59.4 | -34.3 | 0 | 0 | 112.9 | E53 A54 V55 R60 V61 Y238 M242 | E53-Q57 WeakPolarHBondContact O-CG 3.42Å; E53-Q57 PolarHBondContact O-N 3.37Å; E53-Q57 VanDerWaalsContact O-N 3.09Å; A54-Q57 PolarHBondContact O-N 3.35Å; V55-Q57 VanDerWaalsContact C-N 3.29Å; V55-Q57 PolarHBondContact O-N 3.02Å; Q57-R60 PolarHBondContact O-N 3.11Å; Q57-V61 PolarHBondContact O-N 3.3Å; Q57-V61 VanDerWaalsContact O-N 3.09Å; Q57-Y238 HydrophobicContact CB-CD2 3.92Å; Q57-Y238 HydrophobicContact CB-CE2 3.81Å; Q57-Y238 HydrophobicContact CG-CD2 3.96Å; Q57-Y238 HydrophobicContact CG-CE2 3.86Å; Q57-M242 HydrophobicContact CB-SD 4.42Å |
| 58 | Y | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.1 | -53.2 | 172.4 | 179.3 | -80.1 | 0 | 0 | 0 | 110.5 | L12 A54 V55 R60 V61 V62 I72 L241 L244 A245 H248 Y249 | L12-Y58 HydrophobicContact CD1-CD1 4.36Å; A54-Y58 PolarHBondContact O-N 3.11Å; V55-Y58 WeakPolarHBondContact O-CB 3.34Å; V55-Y58 PolarHBondContact O-N 3.14Å; Y58-R60 PolarHBondContact O-N 3.41Å; Y58-V61 PolarHBondContact O-N 3.36Å; Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 4.14Å; Y58-V62 WeakPolarHBondContact O-CG2 3.33Å; Y58-V62 PolarHBondContact O-N 3.06Å; Y58-I72 HydrophobicContact CD1-CD1 4.08Å; Y58-I72 HydrophobicContact CE1-CD1 3.82Å; Y58-L241 HydrophobicContact CD2-CB 4.47Å; Y58-L241 WeakPolarHBondContact CD2-O 3.22Å; Y58-L244 HydrophobicContact CE2-CB 4.25Å; Y58-A245 HydrophobicContact CD2-CB 3.8Å; Y58-A245 HydrophobicContact CE2-CB 3.83Å; Y58-H248 AromaticContact CE2-ND1 3.76Å; Y58-H248 AromaticContact CZ-ND1 3.7Å; Y58-H248 PolarHBondContact OH-ND1 3.26Å; Y58-Y249 HydrophobicContact CE1-CE2 4.07Å; Y58-Y249 HydrophobicContact CE2-CE2 4.45Å; Y58-Y249 AromaticContact CZ-CE2 3.67Å; Y58-Y249 WeakPolarHBondContact OH-CE2 3.41Å; Y58-Y249 PolarHBondContact OH-OH 3.04Å |
| 59 | C | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 179.6 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | V55 I56 V61 V62 F63 I72 I97 | V55-C59 PolarHBondContact O-N 3.09Å; V55-C59 PolarHBondContact O-SG 2.88Å; V55-C59 VanDerWaalsContact O-SG 3.35Å; I56-C59 PolarHBondContact O-N 2.77Å; C59-V61 PolarHBondContact O-N 3.36Å; C59-V62 PolarHBondContact O-N 3.47Å; C59-F63 HydrophobicContact CB-CD2 4.4Å; C59-F63 HydrophobicContact CB-CE2 3.97Å; C59-F63 HydrophobicContact CB-CZ 4.28Å; C59-F63 WeakPolarHBondContact O-CB 3.48Å; C59-F63 WeakPolarHBondContact O-CD2 3.39Å; C59-F63 WeakPolarHBondContact O-CG 3.43Å; C59-F63 PolarHBondContact O-N 3.06Å; C59-I72 HydrophobicContact CB-CD1 4.38Å; C59-I97 HydrophobicContact CB-CG1 4.47Å |
| 60 | R | 96.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.3 | -52.4 | 177.1 | -178.7 | -173.3 | 71.6 | 76.7 | -2 | 111.5 | I56 Q57 Y58 V62 F63 D64 L94 T345 L346 A347 | I56-R60 WeakPolarHBondContact O-CB 3.41Å; I56-R60 PolarHBondContact O-N 2.9Å; Q57-R60 PolarHBondContact O-N 3.11Å; Y58-R60 PolarHBondContact O-N 3.41Å; R60-V62 VanDerWaalsContact C-N 3.26Å; R60-V62 PolarHBondContact O-N 3.47Å; R60-F63 PolarHBondContact O-N 3.32Å; R60-D64 IonicContact CZ-OD2 3.27Å; R60-D64 IonicContact NH1-OD2 2.8Å; R60-D64 PolarHBondContact NH1-OD2 3.48Å; R60-D64 WeakPolarHBondContact O-CB 3.48Å; R60-D64 VanDerWaalsContact O-CG 3.26Å; R60-D64 PolarHBondContact O-N 2.87Å; R60-L94 HydrophobicContact CB-CD1 3.88Å; R60-L94 HydrophobicContact CB-CD2 3.96Å; R60-L94 HydrophobicContact CB-CG 4.29Å; R60-L94 HydrophobicContact CG-CD1 3.71Å; R60-T345 PolarHBondContact NH1-OG1 2.91Å; R60-L346 PolarHBondContact NH1-O 3.43Å; R60-L346 PolarHBondContact NH2-O 2.95Å; R60-A347 PolarHBondContact NH2-O 3.36Å |
| 61 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | -176.1 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | Q57 Y58 C59 I65 M242 L251 L279 T345 | Q57-V61 PolarHBondContact O-N 3.3Å; Q57-V61 VanDerWaalsContact O-N 3.09Å; Y58-V61 PolarHBondContact O-N 3.36Å; C59-V61 PolarHBondContact O-N 3.36Å; V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CB 3.26Å; V61-I65 VanDerWaalsContact O-CG1 3.28Å; V61-I65 WeakPolarHBondContact O-CG1 3.14Å; V61-I65 PolarHBondContact O-N 2.76Å; V61-I65 VanDerWaalsContact O-N 3.17Å; V61-M242 HydrophobicContact CB-CE 4.01Å; V61-M242 HydrophobicContact CG1-CE 4.03Å; V61-M242 HydrophobicContact CG2-CE 3.6Å; V61-M242 HydrophobicContact CG2-SD 4.23Å; V61-L251 HydrophobicContact CG1-CD1 3.81Å; V61-L279 HydrophobicContact CG1-CD1 4.08Å; V61-L279 HydrophobicContact CG2-CD1 4.07Å; V61-T345 HydrophobicContact CB-CG2 4.32Å; V61-T345 HydrophobicContact CG1-CG2 4.02Å; V61-T345 HydrophobicContact CG2-CG2 4.01Å |
| 62 | V | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | Y58 C59 R60 D64 I65 F66 K70 I72 Y249 | Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 4.14Å; Y58-V62 WeakPolarHBondContact O-CG2 3.33Å; Y58-V62 PolarHBondContact O-N 3.06Å; C59-V62 PolarHBondContact O-N 3.47Å; R60-V62 VanDerWaalsContact C-N 3.26Å; R60-V62 PolarHBondContact O-N 3.47Å; V62-D64 PolarHBondContact O-N 3.45Å; V62-I65 PolarHBondContact O-N 3.22Å; V62-F66 HydrophobicContact CG1-CD2 4.1Å; V62-F66 WeakPolarHBondContact O-CB 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.31Å; V62-F66 PolarHBondContact O-N 2.92Å; V62-K70 HydrophobicContact CG1-CB 4.07Å; V62-I72 HydrophobicContact CB-CD1 3.86Å; V62-I72 HydrophobicContact CG1-CD1 3.88Å; V62-I72 HydrophobicContact CG1-CG1 4.44Å; V62-I72 HydrophobicContact CG2-CD1 4.04Å; V62-Y249 HydrophobicContact CB-CE2 4.36Å; V62-Y249 HydrophobicContact CG1-CE1 4.07Å; V62-Y249 HydrophobicContact CG1-CE2 4.25Å; V62-Y249 HydrophobicContact CG2-CD2 3.66Å; V62-Y249 HydrophobicContact CG2-CE1 4.43Å; V62-Y249 HydrophobicContact CG2-CE2 3.17Å; V62-Y249 HydrophobicContact CG2-CG 4.44Å |
| 63 | F | 96 | Very high | 95.8 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 7% | 0.066 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | -179.5 | -62.6 | -22.7 | 0 | 0 | 0 | 112.8 | C59 R60 S67 I72 Q92 I97 | C59-F63 HydrophobicContact CB-CD2 4.4Å; C59-F63 HydrophobicContact CB-CE2 3.97Å; C59-F63 HydrophobicContact CB-CZ 4.28Å; C59-F63 WeakPolarHBondContact O-CB 3.48Å; C59-F63 WeakPolarHBondContact O-CD2 3.39Å; C59-F63 WeakPolarHBondContact O-CG 3.43Å; C59-F63 PolarHBondContact O-N 3.06Å; R60-F63 PolarHBondContact O-N 3.32Å; F63-S67 WeakPolarHBondContact O-CA 3.4Å; F63-S67 PolarHBondContact O-N 3.29Å; F63-I72 HydrophobicContact CE1-CB 4.38Å; F63-I72 HydrophobicContact CE1-CD1 4.23Å; F63-I72 HydrophobicContact CE1-CG1 4.41Å; F63-I72 HydrophobicContact CZ-CB 4.49Å; F63-Q92 HydrophobicContact CD1-CB 4.35Å; F63-Q92 HydrophobicContact CE1-CB 3.98Å; F63-Q92 HydrophobicContact CZ-CB 4.37Å; F63-I97 HydrophobicContact CE2-CD1 4.5Å; F63-I97 HydrophobicContact CE2-CG1 3.83Å; F63-I97 HydrophobicContact CZ-CG1 4.31Å |
| 64 | D | 95.6 | Very high | 96 | Very high | 61 Ų | 61 | 20 Ų | 20 | 33% | 0.326 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.9 | -72.2 | -17.8 | 0 | 0 | 0 | 111.2 | R60 V62 R343 T345 | R60-D64 IonicContact CZ-OD2 3.27Å; R60-D64 IonicContact NH1-OD2 2.8Å; R60-D64 PolarHBondContact NH1-OD2 3.48Å; R60-D64 WeakPolarHBondContact O-CB 3.48Å; R60-D64 VanDerWaalsContact O-CG 3.26Å; R60-D64 PolarHBondContact O-N 2.87Å; V62-D64 PolarHBondContact O-N 3.45Å; D64-R343 VanDerWaalsContact O-CD 3.31Å; D64-R343 WeakPolarHBondContact O-CD 3.47Å; D64-T345 HydrophobicContact CB-CG2 4.33Å; D64-T345 WeakPolarHBondContact OD2-CB 3.33Å; D64-T345 PolarHBondContact OD2-OG1 2.8Å |
| 65 | I | 97.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 5% | 0.046 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -79.8 | -40.6 | -175 | -64.4 | 175.7 | 0 | 0 | 0 | 112 | V61 V62 L251 L279 R281 R343 T345 | V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CB 3.26Å; V61-I65 VanDerWaalsContact O-CG1 3.28Å; V61-I65 WeakPolarHBondContact O-CG1 3.14Å; V61-I65 PolarHBondContact O-N 2.76Å; V61-I65 VanDerWaalsContact O-N 3.17Å; V62-I65 PolarHBondContact O-N 3.22Å; I65-L251 HydrophobicContact CD1-CD1 3.77Å; I65-L251 HydrophobicContact CD1-CD2 3.72Å; I65-L251 HydrophobicContact CD1-CG 4.34Å; I65-L251 HydrophobicContact CG2-CD2 4.13Å; I65-L279 HydrophobicContact CD1-CB 4.39Å; I65-R281 HydrophobicContact CG2-CG 4.09Å; I65-R343 WeakPolarHBondContact O-CD 3.22Å; I65-T345 HydrophobicContact CD1-CG2 4.02Å; I65-T345 HydrophobicContact CG1-CG2 4Å |
| 66 | F | 95.2 | Very high | 96 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -114.4 | -4.8 | -170.4 | -59.3 | -76.7 | 0 | 0 | 0 | 114.5 | V62 T68 E69 K70 Y249 L251 R281 | V62-F66 HydrophobicContact CG1-CD2 4.1Å; V62-F66 WeakPolarHBondContact O-CB 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.31Å; V62-F66 PolarHBondContact O-N 2.92Å; F66-T68 PolarHBondContact O-N 3.49Å; F66-E69 HydrophobicContact CB-CB 4.46Å; F66-E69 VanDerWaalsContact O-CB 3.28Å; F66-E69 WeakPolarHBondContact O-CB 3.4Å; F66-E69 WeakPolarHBondContact O-CG 3.5Å; F66-E69 PolarHBondContact O-N 3.23Å; F66-K70 HydrophobicContact CB-CB 3.88Å; F66-K70 HydrophobicContact CB-CG 3.6Å; F66-K70 HydrophobicContact CD1-CG 3.69Å; F66-K70 HydrophobicContact CD2-CB 4.39Å; F66-K70 HydrophobicContact CD2-CG 4.04Å; F66-K70 HydrophobicContact CE1-CG 4.36Å; F66-K70 HydrophobicContact CG-CB 4.12Å; F66-K70 HydrophobicContact CG-CG 3.5Å; F66-Y249 HydrophobicContact CD2-CD1 4.41Å; F66-Y249 HydrophobicContact CE2-CD1 4.02Å; F66-Y249 AromaticContact CE2-CG 3.9Å; F66-Y249 HydrophobicContact CE2-CG 3.9Å; F66-Y249 HydrophobicContact CZ-CD1 4.5Å; F66-Y249 HydrophobicContact CZ-CG 4.46Å; F66-L251 HydrophobicContact CE2-CD2 3.85Å; F66-L251 HydrophobicContact CZ-CD2 3.8Å; F66-R281 HydrophobicContact CE1-CG 4.01Å; F66-R281 HydrophobicContact CZ-CG 4.08Å |
| 67 | S | 92.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 18.8 Ų | 18.8 | 29% | 0.287 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -123.9 | -175.6 | -137.5 | 0 | 0 | 0 | 0 | 110.4 | F63 R343 | F63-S67 WeakPolarHBondContact O-CA 3.4Å; F63-S67 PolarHBondContact O-N 3.29Å; S67-R343 PolarHBondContact OG-NH1 2.93Å; S67-R343 VanDerWaalsContact OG-NH1 3.1Å |
| 68 | T | 91.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 17.9 Ų | 17.9 | 33% | 0.325 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.1 | 177 | 60.9 | 0 | 0 | 0 | 0 | 113 | F66 K70 N89 Q92 | F66-T68 PolarHBondContact O-N 3.49Å; T68-K70 VanDerWaalsContact C-N 3.3Å; T68-K70 PolarHBondContact O-N 3.06Å; T68-N89 WeakPolarHBondContact CB-OD1 3.37Å; T68-N89 HydrophobicContact CG2-CB 3.94Å; T68-Q92 HydrophobicContact CG2-CB 4.1Å; T68-Q92 HydrophobicContact CG2-CG 4.42Å |
| 69 | E | 92.4 | Very high | 95 | Very high | 99 Ų | 99 | 21.2 Ų | 21.2 | 46% | 0.463 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -71.8 | -23 | -173.1 | -65.7 | -171 | -149.8 | 0 | 0 | 114.1 | F66 R136 | F66-E69 HydrophobicContact CB-CB 4.46Å; F66-E69 VanDerWaalsContact O-CB 3.28Å; F66-E69 WeakPolarHBondContact O-CB 3.4Å; F66-E69 WeakPolarHBondContact O-CG 3.5Å; F66-E69 PolarHBondContact O-N 3.23Å; E69-R136 IonicContact OE2-NH1 3.14Å; E69-R136 PolarHBondContact OE2-NH1 3.3Å |
| 70 | K | 94.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 16% | 0.161 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -126.7 | 72.8 | -176.4 | -59.7 | -68.7 | 172.5 | -176.4 | 0 | 108.7 | N7 V62 F66 T68 Y249 | N7-K70 WeakPolarHBondContact O-CD 3.47Å; N7-K70 PolarHBondContact OD1-NZ 3.47Å; V62-K70 HydrophobicContact CG1-CB 4.07Å; F66-K70 HydrophobicContact CB-CB 3.88Å; F66-K70 HydrophobicContact CB-CG 3.6Å; F66-K70 HydrophobicContact CD1-CG 3.69Å; F66-K70 HydrophobicContact CD2-CB 4.39Å; F66-K70 HydrophobicContact CD2-CG 4.04Å; F66-K70 HydrophobicContact CE1-CG 4.36Å; F66-K70 HydrophobicContact CG-CB 4.12Å; F66-K70 HydrophobicContact CG-CG 3.5Å; T68-K70 VanDerWaalsContact C-N 3.3Å; T68-K70 PolarHBondContact O-N 3.06Å; K70-Y249 HydrophobicContact CB-CD1 4.31Å; K70-Y249 HydrophobicContact CB-CE1 3.9Å; K70-Y249 HydrophobicContact CD-CD1 4.5Å; K70-Y249 HydrophobicContact CG-CD1 4.3Å; K70-Y249 HydrophobicContact CG-CE1 4.35Å |
| 71 | P | 96 | Very high | 94.3 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | trans | -70.4 | 146.9 | -168.2 | 31.4 | -38.5 | 0 | 0 | 0 | 112.3 | G8 K9 T10 W87 Q92 T134 | G8-P71 WeakPolarHBondContact O-CD 3.43Å; K9-P71 HydrophobicContact CB-CG 4.32Å; T10-P71 PolarHBondContact N-O 3.06Å; P71-W87 HydrophobicContact CB-CE3 3.82Å; P71-W87 HydrophobicContact CB-CZ3 4.36Å; P71-W87 HydrophobicContact CG-CE3 3.94Å; P71-W87 HydrophobicContact CG-CZ3 4.47Å; P71-Q92 HydrophobicContact CB-CG 4.16Å; P71-T134 HydrophobicContact CG-CG2 3.92Å | ||
| 72 | I | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.1 | 178.7 | -60.2 | 171 | 0 | 0 | 0 | 109 | T10 L12 Y58 C59 V62 F63 I74 Q92 | T10-I72 CarbonylContact O-C 3.5Å; T10-I72 VanDerWaalsContact O-CA 3.28Å; T10-I72 WeakPolarHBondContact O-CA 3.44Å; L12-I72 HydrophobicContact CD1-CG2 4.03Å; L12-I72 HydrophobicContact CG-CG2 3.96Å; Y58-I72 HydrophobicContact CD1-CD1 4.08Å; Y58-I72 HydrophobicContact CE1-CD1 3.82Å; C59-I72 HydrophobicContact CB-CD1 4.38Å; V62-I72 HydrophobicContact CB-CD1 3.86Å; V62-I72 HydrophobicContact CG1-CD1 3.88Å; V62-I72 HydrophobicContact CG1-CG1 4.44Å; V62-I72 HydrophobicContact CG2-CD1 4.04Å; F63-I72 HydrophobicContact CE1-CB 4.38Å; F63-I72 HydrophobicContact CE1-CD1 4.23Å; F63-I72 HydrophobicContact CE1-CG1 4.41Å; F63-I72 HydrophobicContact CZ-CB 4.49Å; I72-I74 HydrophobicContact CG2-CD1 4.08Å; I72-Q92 PolarHBondContact O-OE1 2.62Å |
| 73 | S | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.8 | 172.4 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | T10 V11 L12 S85 L129 | T10-S73 PolarHBondContact O-N 3.17Å; V11-S73 WeakPolarHBondContact CA-O 3.5Å; L12-S73 PolarHBondContact N-O 2.72Å; S73-S85 WeakPolarHBondContact CA-OG 3.3Å; S73-S85 WeakPolarHBondContact CB-O 3.3Å; S73-S85 PolarHBondContact OG-O 2.93Å; S73-L129 WeakPolarHBondContact OG-CD1 3.36Å |
| 74 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.7 | 177.2 | -53.4 | -58.4 | 0 | 0 | 0 | 109.2 | L12 I14 V55 I72 T76 H84 S85 I97 I100 F101 | L12-I74 HydrophobicContact CB-CD1 3.9Å; L12-I74 HydrophobicContact CD1-CD1 3.7Å; L12-I74 HydrophobicContact CG-CD1 4.1Å; I14-I74 HydrophobicContact CD1-CG2 4Å; V55-I74 HydrophobicContact CG1-CD1 4.3Å; I72-I74 HydrophobicContact CG2-CD1 4.08Å; I74-T76 HydrophobicContact CG2-CG2 4.48Å; I74-H84 HydrophobicContact CB-CB 4.32Å; I74-H84 WeakPolarHBondContact O-CB 3.36Å; I74-H84 PolarHBondContact O-N 2.91Å; I74-S85 PolarHBondContact N-OG 3.26Å; I74-I97 HydrophobicContact CD1-CD1 4.39Å; I74-I97 HydrophobicContact CG1-CD1 3.78Å; I74-I100 HydrophobicContact CG2-CG2 4.4Å; I74-F101 HydrophobicContact CG2-CE1 4.48Å; I74-F101 HydrophobicContact CG2-CZ 4.3Å |
| 75 | V | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.2 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | V11 L12 V13 I14 K82 I83 L129 | V11-V75 HydrophobicContact CG1-CG2 3.87Å; L12-V75 PolarHBondContact O-N 2.99Å; V13-V75 CarbonylContact C-O 3.54Å; V13-V75 WeakPolarHBondContact CA-O 3.48Å; V13-V75 HydrophobicContact CG2-CB 4.37Å; I14-V75 PolarHBondContact N-O 2.77Å; V75-K82 CarbonylContact C-O 3.58Å; V75-K82 VanDerWaalsContact CA-O 3.27Å; V75-K82 WeakPolarHBondContact CA-O 3.46Å; V75-I83 HydrophobicContact CG2-CG1 4.23Å; V75-L129 HydrophobicContact CG2-CD1 3.43Å; V75-L129 VanDerWaalsContact CG2-CD1 3.43Å |
| 76 | T | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 155.5 | 167.6 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | I14 W48 I74 K82 H84 E104 | I14-T76 HydrophobicContact CB-CG2 4.44Å; I14-T76 WeakPolarHBondContact O-CA 3.27Å; W48-T76 HydrophobicContact CH2-CG2 4.45Å; I74-T76 HydrophobicContact CG2-CG2 4.48Å; T76-K82 PolarHBondContact N-O 2.93Å; T76-K82 PolarHBondContact O-N 2.91Å; T76-H84 PolarHBondContact OG1-NE2 3.49Å; T76-E104 HydrophobicContact CG2-CG 4.41Å; T76-E104 PolarHBondContact OG1-OE2 3.27Å |
| 77 | F | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.2 | 172.3 | 66.5 | -93.6 | 0 | 0 | 0 | 112.1 | V13 I14 N15 H16 E80 E81 F114 P121 | V13-F77 HydrophobicContact CG1-CD1 3.74Å; V13-F77 HydrophobicContact CG1-CE1 3.84Å; I14-F77 WeakPolarHBondContact O-CD1 3.35Å; I14-F77 PolarHBondContact O-N 2.8Å; I14-F77 VanDerWaalsContact O-N 3.08Å; N15-F77 VanDerWaalsContact CA-CZ 3.42Å; N15-F77 HydrophobicContact CB-CE1 4.02Å; N15-F77 HydrophobicContact CB-CE2 3.86Å; N15-F77 HydrophobicContact CB-CZ 3.43Å; N15-F77 VanDerWaalsContact CB-CZ 3.43Å; H16-F77 WeakPolarHBondContact CA-O 3.5Å; H16-F77 PolarHBondContact N-O 3.09Å; F77-E80 VanDerWaalsContact CA-O 3.29Å; F77-E80 WeakPolarHBondContact CA-O 3.27Å; F77-E81 HydrophobicContact CB-CG 4.39Å; F77-F114 AromaticContact CE2-CD2 3.64Å; F77-F114 HydrophobicContact CE2-CD2 3.64Å; F77-F114 AromaticContact CE2-CE2 3.75Å; F77-F114 HydrophobicContact CE2-CE2 3.75Å; F77-F114 AromaticContact CZ-CD2 4Å; F77-F114 HydrophobicContact CZ-CD2 4Å; F77-F114 AromaticContact CZ-CE2 3.61Å; F77-F114 HydrophobicContact CZ-CE2 3.61Å; F77-P121 HydrophobicContact CB-CB 4.35Å; F77-P121 HydrophobicContact CD1-CB 4.37Å; F77-P121 HydrophobicContact CD2-CB 3.48Å; F77-P121 VanDerWaalsContact CD2-CB 3.48Å; F77-P121 HydrophobicContact CD2-CG 4.29Å; F77-P121 HydrophobicContact CE2-CB 3.76Å; F77-P121 HydrophobicContact CE2-CG 4.18Å; F77-P121 HydrophobicContact CG-CB 3.81Å; F77-P121 HydrophobicContact CZ-CB 4.29Å |
| 78 | D | 90 | Very high | 93.9 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -134.3 | -117.7 | 171.7 | 54.7 | 20.4 | 0 | 0 | 0 | 108.9 | H16 E80 K82 L112 | H16-D78 HydrophobicContact CB-CB 4.48Å; H16-D78 IonicContact ND1-OD2 3.91Å; D78-E80 PolarHBondContact N-O 2.91Å; D78-E80 PolarHBondContact OD1-N 3.49Å; D78-K82 IonicContact OD1-NZ 3.43Å; D78-K82 IonicContact OD2-NZ 3.07Å; D78-K82 PolarHBondContact OD2-NZ 3.39Å; D78-L112 WeakPolarHBondContact O-CD2 3.46Å |
| 79 | D | 86.2 | Confident | 93.9 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 40% | 0.401 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -70.8 | -21.2 | 165.8 | -62.1 | -44.3 | 0 | 0 | 0 | 111.3 | S110 S111 L112 | D79-S110 PolarHBondContact OD1-OG 2.87Å; D79-S111 PolarHBondContact OD1-N 3.31Å; D79-S111 PolarHBondContact OD1-OG 2.99Å; D79-L112 PolarHBondContact OD1-N 3.05Å; D79-L112 VanDerWaalsContact OD1-N 3.17Å |
| 80 | E | 88 | Confident | 93.9 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 64% | 0.64 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -126.2 | 160.1 | 176.7 | -62.2 | -178 | 174.5 | 0 | 0 | 111.6 | F77 D78 | F77-E80 VanDerWaalsContact CA-O 3.29Å; F77-E80 WeakPolarHBondContact CA-O 3.27Å; D78-E80 PolarHBondContact N-O 2.91Å; D78-E80 PolarHBondContact OD1-N 3.49Å |
| 81 | E | 91.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.1 | 170.1 | -63 | -179.5 | -168.9 | 0 | 0 | 109.5 | F77 G122 S125 | F77-E81 HydrophobicContact CB-CG 4.39Å; E81-G122 WeakPolarHBondContact OE1-CA 3.47Å; E81-G122 PolarHBondContact OE1-N 3.34Å; E81-G122 VanDerWaalsContact OE2-CA 3.29Å; E81-G122 WeakPolarHBondContact OE2-CA 3.31Å; E81-S125 PolarHBondContact OE2-N 3.34Å; E81-S125 PolarHBondContact OE2-OG 2.97Å |
| 82 | K | 94.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.4 | -176.9 | -56.8 | 174.1 | -153.2 | 153.6 | 0 | 110.3 | V75 T76 D78 E104 | V75-K82 CarbonylContact C-O 3.58Å; V75-K82 VanDerWaalsContact CA-O 3.27Å; V75-K82 WeakPolarHBondContact CA-O 3.46Å; T76-K82 PolarHBondContact N-O 2.93Å; T76-K82 PolarHBondContact O-N 2.91Å; D78-K82 IonicContact OD1-NZ 3.43Å; D78-K82 IonicContact OD2-NZ 3.07Å; D78-K82 PolarHBondContact OD2-NZ 3.39Å; K82-E104 WeakPolarHBondContact CD-OE1 3.3Å; K82-E104 IonicContact NZ-OE1 3.32Å; K82-E104 PolarHBondContact NZ-OE1 3.13Å; K82-E104 IonicContact NZ-OE2 2.82Å; K82-E104 PolarHBondContact NZ-OE2 2.84Å; K82-E104 VanDerWaalsContact NZ-OE2 3.08Å |
| 83 | I | 96.6 | Very high | 93.5 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116 | 170.1 | -60.2 | 173.7 | 0 | 0 | 0 | 107.8 | V75 I86 L129 | V75-I83 HydrophobicContact CG2-CG1 4.23Å; I83-I86 HydrophobicContact CG2-CG2 4.02Å; I83-L129 HydrophobicContact CD1-CG 4.46Å; I83-L129 HydrophobicContact CG1-CD1 4.47Å; I83-L129 HydrophobicContact CG2-CD1 4.24Å; I83-L129 HydrophobicContact CG2-CD2 4.12Å |
| 84 | H | 96.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | trans | -96.5 | -27.9 | -175.4 | -71 | -71.5 | 0 | 0 | 0 | 114.2 | I74 T76 I100 E104 | I74-H84 HydrophobicContact CB-CB 4.32Å; I74-H84 WeakPolarHBondContact O-CB 3.36Å; I74-H84 PolarHBondContact O-N 2.91Å; T76-H84 PolarHBondContact OG1-NE2 3.49Å; H84-I100 HydrophobicContact CB-CB 4.36Å; H84-I100 HydrophobicContact CB-CD1 3.71Å; H84-I100 HydrophobicContact CB-CG1 3.86Å; H84-I100 HydrophobicContact CB-CG2 3.58Å; H84-I100 VanDerWaalsContact CG-CG2 3.47Å; H84-E104 VanDerWaalsContact CE1-CG 3.44Å; H84-E104 WeakPolarHBondContact CE1-CG 3.23Å; H84-E104 IonicContact CE1-OE1 2.59Å; H84-E104 PolarHBondContact CE1-OE1 3.26Å; H84-E104 IonicContact CE1-OE2 3.01Å; H84-E104 IonicContact NE2-OE1 2.63Å; H84-E104 IonicContact NE2-OE2 3.24Å | ||
| 85 | S | 94.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -145 | 154.7 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | S73 I74 | S73-S85 WeakPolarHBondContact CA-OG 3.3Å; S73-S85 WeakPolarHBondContact CB-O 3.3Å; S73-S85 PolarHBondContact OG-O 2.93Å; I74-S85 PolarHBondContact N-OG 3.26Å | ||
| 86 | I | 94.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | trans | -126.6 | -170.9 | 178.4 | 54.3 | 162.6 | 0 | 0 | 0 | 110.2 | I83 L88 D91 Q92 L129 M132 | I83-I86 HydrophobicContact CG2-CG2 4.02Å; I86-L88 HydrophobicContact CD1-CD1 3.65Å; I86-L88 HydrophobicContact CD1-CG 3.7Å; I86-L88 HydrophobicContact CG1-CB 4.47Å; I86-L88 HydrophobicContact CG1-CD1 3.87Å; I86-L88 HydrophobicContact CG1-CG 3.78Å; I86-L88 PolarHBondContact O-N 3.47Å; I86-D91 PolarHBondContact N-OD2 3.14Å; I86-Q92 PolarHBondContact O-NE2 2.87Å; I86-Q92 VanDerWaalsContact O-NE2 3.13Å; I86-L129 HydrophobicContact CG2-CD2 3.96Å; I86-M132 HydrophobicContact CB-CE 3.65Å; I86-M132 HydrophobicContact CG2-CE 3.85Å | ||
| 87 | W | 95 | Very high | 93.1 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.7 | 25.5 | -175.6 | -49.3 | 137.3 | 0 | 0 | 0 | 114.6 | K9 T10 V11 P71 L129 M132 T134 P135 | K9-W87 HydrophobicContact CB-CD2 4.48Å; K9-W87 HydrophobicContact CB-CE3 4.38Å; K9-W87 HydrophobicContact CB-CH2 3.79Å; K9-W87 HydrophobicContact CB-CZ2 3.92Å; K9-W87 HydrophobicContact CB-CZ3 4.02Å; K9-W87 HydrophobicContact CD-CH2 4.45Å; K9-W87 HydrophobicContact CD-CZ2 3.74Å; K9-W87 HydrophobicContact CG-CH2 4.39Å; K9-W87 HydrophobicContact CG-CZ2 4.14Å; T10-W87 WeakPolarHBondContact O-CH2 3.41Å; V11-W87 HydrophobicContact CG2-CH2 3.71Å; V11-W87 HydrophobicContact CG2-CZ2 3.93Å; P71-W87 HydrophobicContact CB-CE3 3.82Å; P71-W87 HydrophobicContact CB-CZ3 4.36Å; P71-W87 HydrophobicContact CG-CE3 3.94Å; P71-W87 HydrophobicContact CG-CZ3 4.47Å; W87-L129 HydrophobicContact CZ2-CB 3.95Å; W87-L129 WeakPolarHBondContact CZ2-O 3.49Å; W87-L129 PolarHBondContact NE1-O 2.91Å; W87-M132 HydrophobicContact CB-CE 4.41Å; W87-M132 HydrophobicContact CD2-CE 4.38Å; W87-M132 HydrophobicContact CG-CE 3.79Å; W87-M132 PolarHBondContact NE1-O 2.83Å; W87-M132 VanDerWaalsContact NE1-O 3.16Å; W87-T134 HydrophobicContact CB-CG2 4.17Å; W87-T134 HydrophobicContact CD2-CG2 4.32Å; W87-T134 HydrophobicContact CG-CG2 3.94Å; W87-P135 WeakPolarHBondContact O-CD 3.48Å; W87-P135 WeakPolarHBondContact O-CG 3.26Å |
| 88 | L | 91.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | trans | -81.4 | 140.6 | 177.7 | -65.6 | 175.8 | 0 | 0 | 0 | 110.8 | I86 E90 D91 Q92 | I86-L88 HydrophobicContact CD1-CD1 3.65Å; I86-L88 HydrophobicContact CD1-CG 3.7Å; I86-L88 HydrophobicContact CG1-CB 4.47Å; I86-L88 HydrophobicContact CG1-CD1 3.87Å; I86-L88 HydrophobicContact CG1-CG 3.78Å; I86-L88 PolarHBondContact O-N 3.47Å; L88-E90 HydrophobicContact CB-CG 3.98Å; L88-E90 HydrophobicContact CD1-CG 4.48Å; L88-E90 PolarHBondContact O-N 3.43Å; L88-D91 WeakPolarHBondContact O-CB 3.21Å; L88-D91 PolarHBondContact O-N 2.93Å; L88-Q92 WeakPolarHBondContact O-CG 3.42Å; L88-Q92 PolarHBondContact O-NE2 3.12Å | ||
| 89 | N | 91.4 | Very high | 93.6 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -60.6 | -33.4 | 179 | -72.9 | -21.6 | 0 | 0 | 0 | 112.7 | T68 D91 Q92 | T68-N89 WeakPolarHBondContact CB-OD1 3.37Å; T68-N89 HydrophobicContact CG2-CB 3.94Å; N89-D91 PolarHBondContact O-N 3.31Å; N89-Q92 PolarHBondContact O-N 2.63Å |
| 90 | E | 91.4 | Very high | 94 | Very high | 139 Ų | 139 | 62.3 Ų | 62.3 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -69.5 | -21 | 176.9 | 58.5 | -169.2 | -165.1 | 0 | 0 | 113.2 | L88 Q92 N93 T96 | L88-E90 HydrophobicContact CB-CG 3.98Å; L88-E90 HydrophobicContact CD1-CG 4.48Å; L88-E90 PolarHBondContact O-N 3.43Å; E90-Q92 VanDerWaalsContact C-N 3.33Å; E90-N93 PolarHBondContact O-ND2 3.48Å; E90-T96 PolarHBondContact O-OG1 2.94Å |
| 91 | D | 91.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -81 | -15.9 | 175 | -68.8 | -12.3 | 0 | 0 | 0 | 112.6 | I86 L88 N89 N93 | I86-D91 PolarHBondContact N-OD2 3.14Å; L88-D91 WeakPolarHBondContact O-CB 3.21Å; L88-D91 PolarHBondContact O-N 2.93Å; N89-D91 PolarHBondContact O-N 3.31Å; D91-N93 VanDerWaalsContact C-N 3.27Å; D91-N93 PolarHBondContact O-N 2.94Å |
| 92 | Q | 94.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -89.3 | 54.9 | -172.1 | -46.7 | -48.9 | -58 | 0 | 0 | 112.3 | F63 T68 P71 I72 I86 L88 N89 E90 | F63-Q92 HydrophobicContact CD1-CB 4.35Å; F63-Q92 HydrophobicContact CE1-CB 3.98Å; F63-Q92 HydrophobicContact CZ-CB 4.37Å; T68-Q92 HydrophobicContact CG2-CB 4.1Å; T68-Q92 HydrophobicContact CG2-CG 4.42Å; P71-Q92 HydrophobicContact CB-CG 4.16Å; I72-Q92 PolarHBondContact O-OE1 2.62Å; I86-Q92 PolarHBondContact O-NE2 2.87Å; I86-Q92 VanDerWaalsContact O-NE2 3.13Å; L88-Q92 WeakPolarHBondContact O-CG 3.42Å; L88-Q92 PolarHBondContact O-NE2 3.12Å; N89-Q92 PolarHBondContact O-N 2.63Å; E90-Q92 VanDerWaalsContact C-N 3.33Å |
| 93 | N | 93.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -147.1 | 159.1 | 176.9 | 76 | 76.8 | 0 | 0 | 0 | 111.7 | E90 D91 D95 T96 I97 | E90-N93 PolarHBondContact O-ND2 3.48Å; D91-N93 VanDerWaalsContact C-N 3.27Å; D91-N93 PolarHBondContact O-N 2.94Å; N93-D95 PolarHBondContact O-N 3.35Å; N93-D95 WeakPolarHBondContact OD1-CA 3.2Å; N93-D95 WeakPolarHBondContact OD1-CB 3.35Å; N93-D95 PolarHBondContact OD1-N 3.06Å; N93-T96 PolarHBondContact ND2-OG1 3.41Å; N93-T96 PolarHBondContact O-N 3.33Å; N93-T96 PolarHBondContact OD1-N 2.92Å; N93-T96 PolarHBondContact OD1-OG1 3.02Å; N93-I97 WeakPolarHBondContact O-CG1 3.33Å; N93-I97 PolarHBondContact O-N 2.9Å |
| 94 | L | 94 | Very high | 94.5 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.6 | -29.7 | -176.5 | -81 | -174.2 | 0 | 0 | 0 | 114.6 | I56 R60 T96 I97 W98 | I56-L94 HydrophobicContact CG2-CD2 4.12Å; R60-L94 HydrophobicContact CB-CD1 3.88Å; R60-L94 HydrophobicContact CB-CD2 3.96Å; R60-L94 HydrophobicContact CB-CG 4.29Å; R60-L94 HydrophobicContact CG-CD1 3.71Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-I97 PolarHBondContact O-N 2.81Å; L94-W98 VanDerWaalsContact O-CB 3.26Å; L94-W98 WeakPolarHBondContact O-CB 3.16Å; L94-W98 PolarHBondContact O-N 2.82Å |
| 95 | D | 95.6 | Very high | 94.3 | Very high | 122 Ų | 122 | 58.3 Ų | 58.3 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 178.7 | -60.9 | -36.6 | 0 | 0 | 0 | 110.2 | N93 W98 N99 | N93-D95 PolarHBondContact O-N 3.35Å; N93-D95 WeakPolarHBondContact OD1-CA 3.2Å; N93-D95 WeakPolarHBondContact OD1-CB 3.35Å; N93-D95 PolarHBondContact OD1-N 3.06Å; D95-W98 PolarHBondContact O-N 3.13Å; D95-N99 WeakPolarHBondContact O-CB 3.46Å; D95-N99 PolarHBondContact O-N 3.38Å; D95-N99 PolarHBondContact O-ND2 3.19Å; D95-N99 VanDerWaalsContact O-ND2 3.07Å |
| 96 | T | 95.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 173.4 | -59 | 0 | 0 | 0 | 0 | 111.1 | E90 N93 L94 W98 N99 I100 | E90-T96 PolarHBondContact O-OG1 2.94Å; N93-T96 PolarHBondContact ND2-OG1 3.41Å; N93-T96 PolarHBondContact O-N 3.33Å; N93-T96 PolarHBondContact OD1-N 2.92Å; N93-T96 PolarHBondContact OD1-OG1 3.02Å; L94-T96 VanDerWaalsContact C-N 3.33Å; T96-W98 VanDerWaalsContact C-N 3.32Å; T96-W98 PolarHBondContact O-N 3.2Å; T96-N99 PolarHBondContact O-N 3.21Å; T96-I100 HydrophobicContact CG2-CD1 4.09Å; T96-I100 VanDerWaalsContact O-CG1 3.32Å; T96-I100 WeakPolarHBondContact O-CG1 3.25Å; T96-I100 PolarHBondContact O-N 3.17Å |
| 97 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.7 | -59 | -58.6 | 0 | 0 | 0 | 111.6 | I56 C59 F63 I74 N93 L94 N99 I100 F101 | I56-I97 HydrophobicContact CG1-CG2 4.01Å; C59-I97 HydrophobicContact CB-CG1 4.47Å; F63-I97 HydrophobicContact CE2-CD1 4.5Å; F63-I97 HydrophobicContact CE2-CG1 3.83Å; F63-I97 HydrophobicContact CZ-CG1 4.31Å; I74-I97 HydrophobicContact CD1-CD1 4.39Å; I74-I97 HydrophobicContact CG1-CD1 3.78Å; N93-I97 WeakPolarHBondContact O-CG1 3.33Å; N93-I97 PolarHBondContact O-N 2.9Å; L94-I97 PolarHBondContact O-N 2.81Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.18Å; I97-I100 HydrophobicContact CD1-CD1 4.33Å; I97-I100 PolarHBondContact O-N 2.9Å; I97-F101 HydrophobicContact CG2-CD2 3.87Å; I97-F101 HydrophobicContact CG2-CE2 3.56Å; I97-F101 VanDerWaalsContact O-CD2 3.27Å; I97-F101 WeakPolarHBondContact O-CD2 3.36Å; I97-F101 PolarHBondContact O-N 3.46Å |
| 98 | W | 95.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 68.3 Ų | 68.3 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 176.8 | -176 | -89.5 | 0 | 0 | 0 | 112 | I56 L94 D95 T96 F101 S102 | I56-W98 HydrophobicContact CD1-CE3 3.91Å; I56-W98 HydrophobicContact CD1-CZ3 4.14Å; L94-W98 VanDerWaalsContact O-CB 3.26Å; L94-W98 WeakPolarHBondContact O-CB 3.16Å; L94-W98 PolarHBondContact O-N 2.82Å; D95-W98 PolarHBondContact O-N 3.13Å; T96-W98 VanDerWaalsContact C-N 3.32Å; T96-W98 PolarHBondContact O-N 3.2Å; W98-F101 PolarHBondContact O-N 3.2Å; W98-S102 PolarHBondContact NE1-OG 3.22Å; W98-S102 VanDerWaalsContact O-CB 3.31Å; W98-S102 WeakPolarHBondContact O-CB 3.43Å; W98-S102 PolarHBondContact O-N 3.15Å; W98-S102 PolarHBondContact O-OG 3.46Å |
| 99 | N | 97 | Very high | 92.8 | Very high | 86 Ų | 86 | 72.8 Ų | 72.8 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.7 | -73.2 | -29 | 0 | 0 | 0 | 112 | D95 T96 I97 S102 Q103 | D95-N99 WeakPolarHBondContact O-CB 3.46Å; D95-N99 PolarHBondContact O-N 3.38Å; D95-N99 PolarHBondContact O-ND2 3.19Å; D95-N99 VanDerWaalsContact O-ND2 3.07Å; T96-N99 PolarHBondContact O-N 3.21Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.18Å; N99-S102 PolarHBondContact O-N 2.87Å; N99-Q103 WeakPolarHBondContact O-CB 3.41Å; N99-Q103 VanDerWaalsContact O-CG 3.27Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 3.03Å |
| 100 | I | 96.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.3 | -55.5 | 175.8 | -70.6 | 165.3 | 0 | 0 | 0 | 110.4 | I74 H84 T96 I97 S102 Q103 E104 | I74-I100 HydrophobicContact CG2-CG2 4.4Å; H84-I100 HydrophobicContact CB-CB 4.36Å; H84-I100 HydrophobicContact CB-CD1 3.71Å; H84-I100 HydrophobicContact CB-CG1 3.86Å; H84-I100 HydrophobicContact CB-CG2 3.58Å; H84-I100 VanDerWaalsContact CG-CG2 3.47Å; T96-I100 HydrophobicContact CG2-CD1 4.09Å; T96-I100 VanDerWaalsContact O-CG1 3.32Å; T96-I100 WeakPolarHBondContact O-CG1 3.25Å; T96-I100 PolarHBondContact O-N 3.17Å; I97-I100 HydrophobicContact CD1-CD1 4.33Å; I97-I100 PolarHBondContact O-N 2.9Å; I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 3.29Å; I100-Q103 PolarHBondContact O-N 3.42Å; I100-E104 PolarHBondContact O-N 2.91Å |
| 101 | F | 96.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70 | -30.3 | -177.4 | -67.7 | -57.9 | 0 | 0 | 0 | 113.4 | I14 W48 V52 V55 I56 I74 I97 W98 Q103 G105 | I14-F101 HydrophobicContact CD1-CE1 3.93Å; I14-F101 HydrophobicContact CD1-CZ 3.78Å; W48-F101 HydrophobicContact CH2-CD1 4.02Å; W48-F101 HydrophobicContact CH2-CE1 4.11Å; W48-F101 HydrophobicContact CZ2-CD1 4Å; V52-F101 HydrophobicContact CB-CD1 4.49Å; V52-F101 HydrophobicContact CB-CG 4.45Å; V52-F101 HydrophobicContact CG1-CB 3.78Å; V52-F101 HydrophobicContact CG1-CD1 4.14Å; V52-F101 HydrophobicContact CG1-CD2 3.76Å; V52-F101 HydrophobicContact CG1-CE2 4.35Å; V52-F101 HydrophobicContact CG1-CG 3.63Å; V52-F101 HydrophobicContact CG2-CB 4.47Å; V52-F101 HydrophobicContact CG2-CD1 3.67Å; V52-F101 HydrophobicContact CG2-CE1 3.99Å; V52-F101 HydrophobicContact CG2-CG 4.05Å; V55-F101 HydrophobicContact CB-CZ 4.36Å; V55-F101 HydrophobicContact CG1-CE2 4.01Å; V55-F101 HydrophobicContact CG1-CZ 3.8Å; I56-F101 HydrophobicContact CD1-CD2 4.09Å; I56-F101 HydrophobicContact CG1-CD2 3.99Å; I56-F101 HydrophobicContact CG1-CE2 4.06Å; I74-F101 HydrophobicContact CG2-CE1 4.48Å; I74-F101 HydrophobicContact CG2-CZ 4.3Å; I97-F101 HydrophobicContact CG2-CD2 3.87Å; I97-F101 HydrophobicContact CG2-CE2 3.56Å; I97-F101 VanDerWaalsContact O-CD2 3.27Å; I97-F101 WeakPolarHBondContact O-CD2 3.36Å; I97-F101 PolarHBondContact O-N 3.46Å; W98-F101 PolarHBondContact O-N 3.2Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; F101-G105 PolarHBondContact O-N 3.14Å |
| 102 | S | 95.5 | Very high | 89.3 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | W98 N99 I100 | W98-S102 PolarHBondContact NE1-OG 3.22Å; W98-S102 VanDerWaalsContact O-CB 3.31Å; W98-S102 WeakPolarHBondContact O-CB 3.43Å; W98-S102 PolarHBondContact O-N 3.15Å; W98-S102 PolarHBondContact O-OG 3.46Å; N99-S102 PolarHBondContact O-N 2.87Å; I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 3.29Å |
| 103 | Q | 94.7 | Very high | 88.2 | Confident | 159 Ų | 159 | 68.9 Ų | 68.9 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.6 | -43.1 | 178.1 | -72.3 | 175.7 | 16.5 | 0 | 0 | 112.5 | N99 I100 F101 G105 | N99-Q103 WeakPolarHBondContact O-CB 3.41Å; N99-Q103 VanDerWaalsContact O-CG 3.27Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 3.03Å; I100-Q103 PolarHBondContact O-N 3.42Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; Q103-G105 VanDerWaalsContact C-N 3.3Å; Q103-G105 PolarHBondContact O-N 3.05Å |
| 104 | E | 93.5 | Very high | 87.1 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.4 | -76.1 | -68.8 | 104.2 | 0 | 0 | 111.4 | H16 T76 K82 H84 I100 | H16-E104 PolarHBondContact CE1-O 3.35Å; H16-E104 IonicContact ND1-OE2 3.78Å; T76-E104 HydrophobicContact CG2-CG 4.41Å; T76-E104 PolarHBondContact OG1-OE2 3.27Å; K82-E104 WeakPolarHBondContact CD-OE1 3.3Å; K82-E104 IonicContact NZ-OE1 3.32Å; K82-E104 PolarHBondContact NZ-OE1 3.13Å; K82-E104 IonicContact NZ-OE2 2.82Å; K82-E104 PolarHBondContact NZ-OE2 2.84Å; K82-E104 VanDerWaalsContact NZ-OE2 3.08Å; H84-E104 VanDerWaalsContact CE1-CG 3.44Å; H84-E104 WeakPolarHBondContact CE1-CG 3.23Å; H84-E104 IonicContact CE1-OE1 2.59Å; H84-E104 PolarHBondContact CE1-OE1 3.26Å; H84-E104 IonicContact CE1-OE2 3.01Å; H84-E104 IonicContact NE2-OE1 2.63Å; H84-E104 IonicContact NE2-OE2 3.24Å; I100-E104 PolarHBondContact O-N 2.91Å |
| 105 | G | 92.8 | Very high | 85.9 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | trans | 66.3 | -163 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H16 W48 F101 Q103 | H16-G105 PolarHBondContact NE2-O 2.96Å; W48-G105 PolarHBondContact NE1-O 3.31Å; F101-G105 PolarHBondContact O-N 3.14Å; Q103-G105 VanDerWaalsContact C-N 3.3Å; Q103-G105 PolarHBondContact O-N 3.05Å | ||
| 106 | P | 92.1 | Very high | 84.8 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -70.8 | 150.6 | 177.3 | 29.1 | -33.8 | 0 | 0 | 0 | 112 | K108 | P106-K108 PolarHBondContact O-N 3.28Š|
| 107 | P | 91.1 | Very high | 83.5 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 134.7 | 176.1 | -23.8 | 30.5 | 0 | 0 | 0 | 111.5 | H16 T17 V20 W48 | H16-P107 WeakPolarHBondContact O-CB 3.33Å; T17-P107 WeakPolarHBondContact O-CB 3.32Å; V20-P107 HydrophobicContact CG2-CB 4.46Å; V20-P107 HydrophobicContact CG2-CG 3.76Å; W48-P107 HydrophobicContact CB-CG 3.73Å; W48-P107 VanDerWaalsContact CD1-CD 3.44Å; W48-P107 HydrophobicContact CD2-CG 3.99Å; W48-P107 HydrophobicContact CE3-CG 4.38Å; W48-P107 VanDerWaalsContact CG-CD 3.41Å; W48-P107 HydrophobicContact CG-CG 3.69Å |
| 108 | K | 84 | Confident | 82.6 | Confident | 165 Ų | 165 | 72.5 Ų | 72.5 | 72% | 0.717 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 165.1 | 173.1 | -65.6 | 175.9 | -173.7 | 167.4 | 0 | 110 | P106 S110 | P106-K108 PolarHBondContact O-N 3.28Å; K108-S110 PolarHBondContact O-N 3.33Å |
| 109 | I | 75.8 | Confident | 82.2 | Confident | 166 Ų | 166 | 67.3 Ų | 67.3 | 85% | 0.851 | 38% | 0.38 | S | S | * | . | trans | -63 | 102.3 | 169 | -61.1 | 170.6 | 0 | 0 | 0 | 106.9 | ||||
| 110 | S | 69.8 | Low | 81.9 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | -93.1 | 143.4 | 177.6 | 160.5 | 0 | 0 | 0 | 0 | 109.4 | H18 D79 K108 L112 | H18-S110 PolarHBondContact ND1-O 2.88Å; D79-S110 PolarHBondContact OD1-OG 2.87Å; K108-S110 PolarHBondContact O-N 3.33Å; S110-L112 PolarHBondContact O-N 2.58Å; S110-L112 WeakPolarHBondContact OG-CB 3.26Å; S110-L112 PolarHBondContact OG-N 3.1Å | ||
| 111 | S | 65 | Low | 81.5 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | trans | -71.6 | -10.8 | 172.5 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | D79 S113 | D79-S111 PolarHBondContact OD1-N 3.31Å; D79-S111 PolarHBondContact OD1-OG 2.99Å; S111-S113 PolarHBondContact O-N 2.71Å | ||
| 112 | L | 67.6 | Low | 81.3 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | trans | -72.1 | 115.8 | -174.7 | -145.7 | 87.7 | 0 | 0 | 0 | 112.7 | T17 D78 D79 S110 F114 R117 P121 | T17-L112 HydrophobicContact CG2-CB 4.12Å; T17-L112 HydrophobicContact CG2-CD2 4.18Å; D78-L112 WeakPolarHBondContact O-CD2 3.46Å; D79-L112 PolarHBondContact OD1-N 3.05Å; D79-L112 VanDerWaalsContact OD1-N 3.17Å; S110-L112 PolarHBondContact O-N 2.58Å; S110-L112 WeakPolarHBondContact OG-CB 3.26Å; S110-L112 PolarHBondContact OG-N 3.1Å; L112-F114 PolarHBondContact O-N 3.22Å; L112-R117 VanDerWaalsContact CD2-NH2 3.34Å; L112-P121 HydrophobicContact CD2-CG 4.42Å | ||
| 113 | S | 70.6 | Confident | 81.2 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | trans | -83.4 | 92.1 | 159 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | S111 L115 E116 | S111-S113 PolarHBondContact O-N 2.71Å; S113-L115 PolarHBondContact O-N 2.6Å; S113-L115 VanDerWaalsContact O-N 3.11Å; S113-E116 VanDerWaalsContact CB-CD 3.49Å; S113-E116 WeakPolarHBondContact CB-OE1 3.41Å; S113-E116 PolarHBondContact O-N 2.61Å; S113-E116 WeakPolarHBondContact OG-CG 3.24Å; S113-E116 PolarHBondContact OG-OE1 3.07Å | ||
| 114 | F | 70.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -47.4 | -39.8 | 179.4 | 172.8 | -107.8 | 0 | 0 | 0 | 112.6 | M19 F77 L112 P121 S153 M156 W163 | M19-F114 HydrophobicContact SD-CB 3.73Å; M19-F114 HydrophobicContact SD-CD1 4.1Å; M19-F114 HydrophobicContact SD-CG 4.26Å; F77-F114 AromaticContact CE2-CD2 3.64Å; F77-F114 HydrophobicContact CE2-CD2 3.64Å; F77-F114 AromaticContact CE2-CE2 3.75Å; F77-F114 HydrophobicContact CE2-CE2 3.75Å; F77-F114 AromaticContact CZ-CD2 4Å; F77-F114 HydrophobicContact CZ-CD2 4Å; F77-F114 AromaticContact CZ-CE2 3.61Å; F77-F114 HydrophobicContact CZ-CE2 3.61Å; L112-F114 PolarHBondContact O-N 3.22Å; F114-P121 HydrophobicContact CD2-CG 3.88Å; F114-P121 HydrophobicContact CE2-CG 4.04Å; F114-S153 WeakPolarHBondContact CE1-OG 3.19Å; F114-S153 WeakPolarHBondContact CZ-OG 3.46Å; F114-M156 HydrophobicContact CE1-CG 3.67Å; F114-M156 HydrophobicContact CZ-CG 3.7Å; F114-M156 HydrophobicContact CZ-SD 4.19Å; F114-W163 AromaticContact CE1-CH2 3.81Å; F114-W163 HydrophobicContact CE1-CH2 3.81Å; F114-W163 HydrophobicContact CE2-CH2 4.09Å; F114-W163 AromaticContact CZ-CH2 3.39Å; F114-W163 HydrophobicContact CZ-CH2 3.39Å; F114-W163 HydrophobicContact CZ-CZ2 4.2Å; F114-W163 HydrophobicContact CZ-CZ3 4.17Å |
| 115 | L | 70 | Confident | 81.2 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -79.2 | -16.6 | -176.2 | -60.7 | 174.4 | 0 | 0 | 0 | 113.8 | S113 S155 K159 | S113-L115 PolarHBondContact O-N 2.6Å; S113-L115 VanDerWaalsContact O-N 3.11Å; L115-S155 WeakPolarHBondContact CD2-O 3.37Å; L115-K159 HydrophobicContact CD2-CG 4.19Å; L115-K159 WeakPolarHBondContact O-CE 3.07Å; L115-K159 PolarHBondContact O-NZ 3.03Å |
| 116 | E | 70.9 | Confident | 81.4 | Confident | 160 Ų | 160 | 52.5 Ų | 52.5 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -90.5 | -14.9 | -178.7 | -75.4 | 168 | -140.2 | 0 | 0 | 113.4 | S113 | S113-E116 VanDerWaalsContact CB-CD 3.49Å; S113-E116 WeakPolarHBondContact CB-OE1 3.41Å; S113-E116 PolarHBondContact O-N 2.61Å; S113-E116 WeakPolarHBondContact OG-CG 3.24Å; S113-E116 PolarHBondContact OG-OE1 3.07Å |
| 117 | R | 69.6 | Low | 81.5 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 25% | 0.249 | 27% | 0.272 | C | S | . | . | trans | -68 | 137.8 | 175 | -74.1 | -155.7 | -152.1 | 178.7 | 5.1 | 111.3 | L112 | L112-R117 VanDerWaalsContact CD2-NH2 3.34Š| ||
| 118 | G | 76.8 | Confident | 81.7 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -68 | -33.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 119 | S | 86.3 | Confident | 82.2 | Confident | 49 Ų | 49 | 42.5 Ų | 42.5 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -113.6 | 154.4 | -178.6 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | P121 D166 | S119-P121 WeakPolarHBondContact O-CD 3.44Å; S119-D166 WeakPolarHBondContact CB-OD2 3.35Å |
| 120 | L | 90.8 | Very high | 83.2 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -59.3 | 123 | 175.3 | 172.5 | 67.6 | 0 | 0 | 0 | 111.2 | L123 V151 W163 I167 W188 F190 | L120-L123 HydrophobicContact CB-CB 4.18Å; L120-L123 HydrophobicContact CG-CB 4.46Å; L120-L123 WeakPolarHBondContact O-CB 3.3Å; L120-L123 PolarHBondContact O-N 3.48Å; L120-V151 HydrophobicContact CD1-CG1 4.03Å; L120-V151 HydrophobicContact CD2-CG2 4.16Å; L120-W163 HydrophobicContact CB-CB 4.17Å; L120-W163 HydrophobicContact CB-CD2 3.95Å; L120-W163 HydrophobicContact CB-CE3 4.24Å; L120-W163 HydrophobicContact CB-CG 3.94Å; L120-W163 HydrophobicContact CD1-CD2 4.25Å; L120-W163 HydrophobicContact CD1-CE3 3.76Å; L120-W163 HydrophobicContact CD1-CH2 4.37Å; L120-W163 HydrophobicContact CD1-CZ3 3.84Å; L120-I167 HydrophobicContact CD2-CD1 4.25Å; L120-W188 HydrophobicContact CD2-CE3 4.26Å; L120-W188 HydrophobicContact CD2-CH2 4.48Å; L120-W188 HydrophobicContact CD2-CZ3 3.59Å; L120-F190 HydrophobicContact CD2-CE1 4.2Å | ||
| 121 | P | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 135.7 | 168 | -22.2 | 34.6 | 0 | 0 | 0 | 111.5 | F77 L112 F114 S119 L123 | F77-P121 HydrophobicContact CB-CB 4.35Å; F77-P121 HydrophobicContact CD1-CB 4.37Å; F77-P121 HydrophobicContact CD2-CB 3.48Å; F77-P121 VanDerWaalsContact CD2-CB 3.48Å; F77-P121 HydrophobicContact CD2-CG 4.29Å; F77-P121 HydrophobicContact CE2-CB 3.76Å; F77-P121 HydrophobicContact CE2-CG 4.18Å; F77-P121 HydrophobicContact CG-CB 3.81Å; F77-P121 HydrophobicContact CZ-CB 4.29Å; L112-P121 HydrophobicContact CD2-CG 4.42Å; F114-P121 HydrophobicContact CD2-CG 3.88Å; F114-P121 HydrophobicContact CE2-CG 4.04Å; S119-P121 WeakPolarHBondContact O-CD 3.44Å; P121-L123 VanDerWaalsContact C-N 3.33Å |
| 122 | G | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | E81 S124 S125 A126 | E81-G122 WeakPolarHBondContact OE1-CA 3.47Å; E81-G122 PolarHBondContact OE1-N 3.34Å; E81-G122 VanDerWaalsContact OE2-CA 3.29Å; E81-G122 WeakPolarHBondContact OE2-CA 3.31Å; G122-S124 PolarHBondContact O-N 3.29Å; G122-S125 PolarHBondContact O-N 2.94Å; G122-A126 VanDerWaalsContact O-CB 3.29Å; G122-A126 WeakPolarHBondContact O-CB 3.22Å; G122-A126 PolarHBondContact O-N 3.47Å |
| 123 | L | 94 | Very high | 87 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | -175 | 176 | 57.2 | 0 | 0 | 0 | 112.6 | L120 P121 S125 A126 C127 D166 I167 W188 | L120-L123 HydrophobicContact CB-CB 4.18Å; L120-L123 HydrophobicContact CG-CB 4.46Å; L120-L123 WeakPolarHBondContact O-CB 3.3Å; L120-L123 PolarHBondContact O-N 3.48Å; P121-L123 VanDerWaalsContact C-N 3.33Å; L123-S125 VanDerWaalsContact C-N 3.33Å; L123-S125 PolarHBondContact O-N 2.92Å; L123-A126 PolarHBondContact O-N 2.95Å; L123-C127 VanDerWaalsContact CD1-SG 3.54Å; L123-C127 WeakPolarHBondContact O-CB 3.49Å; L123-C127 PolarHBondContact O-N 2.73Å; L123-C127 PolarHBondContact O-SG 2.81Å; L123-D166 HydrophobicContact CD2-CB 4.27Å; L123-I167 HydrophobicContact CD1-CB 4.22Å; L123-I167 HydrophobicContact CD1-CG1 3.59Å; L123-I167 HydrophobicContact CD1-CG2 4.47Å; L123-I167 HydrophobicContact CD2-CG1 4.4Å; L123-W188 HydrophobicContact CD1-CH2 3.69Å; L123-W188 HydrophobicContact CD1-CZ2 4.39Å; L123-W188 HydrophobicContact CD1-CZ3 4.36Å |
| 124 | S | 92.8 | Very high | 88.1 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.1 | -49.4 | -179.9 | 176 | 0 | 0 | 0 | 0 | 110.3 | G122 C127 H128 Y170 | G122-S124 PolarHBondContact O-N 3.29Å; S124-C127 PolarHBondContact O-N 2.96Å; S124-H128 VanDerWaalsContact O-CB 3.29Å; S124-H128 WeakPolarHBondContact O-CB 3.35Å; S124-H128 PolarHBondContact O-N 3.4Å; S124-Y170 PolarHBondContact OG-OH 2.97Å |
| 125 | S | 95.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | E81 G122 L123 H128 L129 | E81-S125 PolarHBondContact OE2-N 3.34Å; E81-S125 PolarHBondContact OE2-OG 2.97Å; G122-S125 PolarHBondContact O-N 2.94Å; L123-S125 VanDerWaalsContact C-N 3.33Å; L123-S125 PolarHBondContact O-N 2.92Å; S125-H128 PolarHBondContact O-N 3.31Å; S125-L129 WeakPolarHBondContact O-CD1 3.34Å; S125-L129 VanDerWaalsContact O-CG 3.31Å; S125-L129 WeakPolarHBondContact O-CG 3.24Å; S125-L129 PolarHBondContact O-N 3.31Å |
| 126 | A | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 V13 G122 L123 L129 L130 V149 W188 | V11-A126 HydrophobicContact CG1-CB 4.27Å; V13-A126 HydrophobicContact CG2-CB 3.83Å; G122-A126 VanDerWaalsContact O-CB 3.29Å; G122-A126 WeakPolarHBondContact O-CB 3.22Å; G122-A126 PolarHBondContact O-N 3.47Å; L123-A126 PolarHBondContact O-N 2.95Å; A126-L129 PolarHBondContact O-N 2.83Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 2.91Å; A126-V149 HydrophobicContact CB-CG1 4.08Å; A126-V149 HydrophobicContact CB-CG2 4.28Å; A126-W188 HydrophobicContact CB-CH2 4.05Å |
| 127 | C | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | L123 S124 L129 L130 Q131 Y170 L171 | L123-C127 VanDerWaalsContact CD1-SG 3.54Å; L123-C127 WeakPolarHBondContact O-CB 3.49Å; L123-C127 PolarHBondContact O-N 2.73Å; L123-C127 PolarHBondContact O-SG 2.81Å; S124-C127 PolarHBondContact O-N 2.96Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 2.73Å; C127-L130 PolarHBondContact O-N 3.03Å; C127-Q131 WeakPolarHBondContact O-CB 3.37Å; C127-Q131 VanDerWaalsContact O-CG 3.23Å; C127-Q131 WeakPolarHBondContact O-CG 3.3Å; C127-Q131 PolarHBondContact O-N 3.4Å; C127-Y170 HydrophobicContact CB-CD1 3.33Å; C127-Y170 HydrophobicContact CB-CE1 3.57Å; C127-Y170 HydrophobicContact CB-CG 4.36Å; C127-L171 HydrophobicContact CB-CD2 4.24Å |
| 128 | H | 94.5 | Very high | 91.8 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 33% | 0.329 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.4 | -178.6 | 77.7 | 0 | 0 | 0 | 112 | S124 S125 Q131 M132 H180 | S124-H128 VanDerWaalsContact O-CB 3.29Å; S124-H128 WeakPolarHBondContact O-CB 3.35Å; S124-H128 PolarHBondContact O-N 3.4Å; S125-H128 PolarHBondContact O-N 3.31Å; H128-Q131 PolarHBondContact O-N 2.96Å; H128-M132 PolarHBondContact O-N 3.35Å; H128-H180 AromaticContact CE1-CD2 3.93Å; H128-H180 AromaticContact CE1-CE1 3.73Å; H128-H180 AromaticContact CE1-NE2 3.04Å; H128-H180 PolarHBondContact CE1-NE2 3.23Å; H128-H180 AromaticContact ND1-NE2 3.58Å; H128-H180 AromaticContact NE2-NE2 3.32Å; H128-H180 PolarHBondContact NE2-NE2 3.3Å |
| 129 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.9 | -71.5 | 164.7 | 0 | 0 | 0 | 112.5 | V11 S73 V75 I83 I86 W87 S125 A126 C127 Q131 M132 | V11-L129 HydrophobicContact CG1-CD1 3.76Å; V11-L129 HydrophobicContact CG2-CB 3.73Å; V11-L129 HydrophobicContact CG2-CD1 4.17Å; S73-L129 WeakPolarHBondContact OG-CD1 3.36Å; V75-L129 HydrophobicContact CG2-CD1 3.43Å; V75-L129 VanDerWaalsContact CG2-CD1 3.43Å; I83-L129 HydrophobicContact CD1-CG 4.46Å; I83-L129 HydrophobicContact CG1-CD1 4.47Å; I83-L129 HydrophobicContact CG2-CD1 4.24Å; I83-L129 HydrophobicContact CG2-CD2 4.12Å; I86-L129 HydrophobicContact CG2-CD2 3.96Å; W87-L129 HydrophobicContact CZ2-CB 3.95Å; W87-L129 WeakPolarHBondContact CZ2-O 3.49Å; W87-L129 PolarHBondContact NE1-O 2.91Å; S125-L129 WeakPolarHBondContact O-CD1 3.34Å; S125-L129 VanDerWaalsContact O-CG 3.31Å; S125-L129 WeakPolarHBondContact O-CG 3.24Å; S125-L129 PolarHBondContact O-N 3.31Å; A126-L129 PolarHBondContact O-N 2.83Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 2.73Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3.38Å; L129-M132 HydrophobicContact CD2-CE 3.66Å; L129-M132 PolarHBondContact O-N 3.45Å |
| 130 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 173.2 | -75.2 | -177.7 | 0 | 0 | 0 | 112 | K9 V11 A126 C127 N145 V149 L171 V183 W188 | K9-L130 WeakPolarHBondContact CE-O 3.5Å; K9-L130 PolarHBondContact NZ-O 3.16Å; V11-L130 HydrophobicContact CG2-CD2 4.46Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 2.91Å; C127-L130 PolarHBondContact O-N 3.03Å; L130-N145 PolarHBondContact O-ND2 3.06Å; L130-N145 PolarHBondContact O-OD1 3.14Å; L130-V149 HydrophobicContact CD1-CG2 3.63Å; L130-V149 HydrophobicContact CD2-CG2 4.17Å; L130-V149 HydrophobicContact CG-CG2 3.92Å; L130-L171 HydrophobicContact CD1-CD2 4.26Å; L130-V183 HydrophobicContact CB-CG2 3.75Å; L130-V183 HydrophobicContact CD1-CG1 4.5Å; L130-W188 HydrophobicContact CD1-CZ2 4.28Å |
| 131 | Q | 94.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -34.9 | 177.9 | -72.6 | 172.5 | -21 | 0 | 0 | 112 | C127 H128 L129 L133 I175 H180 M181 V183 | C127-Q131 WeakPolarHBondContact O-CB 3.37Å; C127-Q131 VanDerWaalsContact O-CG 3.23Å; C127-Q131 WeakPolarHBondContact O-CG 3.3Å; C127-Q131 PolarHBondContact O-N 3.4Å; H128-Q131 PolarHBondContact O-N 2.96Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3.38Å; Q131-L133 PolarHBondContact O-N 2.82Å; Q131-I175 HydrophobicContact CB-CD1 3.84Å; Q131-I175 HydrophobicContact CG-CD1 3.49Å; Q131-I175 VanDerWaalsContact CG-CD1 3.49Å; Q131-I175 HydrophobicContact CG-CG1 4.27Å; Q131-H180 HydrophobicContact CB-CB 4.31Å; Q131-H180 CarbonylContact O-C 3.59Å; Q131-H180 VanDerWaalsContact O-CA 3.26Å; Q131-H180 WeakPolarHBondContact O-CA 3.38Å; Q131-M181 WeakPolarHBondContact CA-O 3.23Å; Q131-M181 PolarHBondContact O-N 3.18Å; Q131-V183 HydrophobicContact CG-CG2 3.8Å |
| 132 | M | 94.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 46 Ų | 46 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 129.4 | 179 | -172.9 | 171.8 | 61.7 | 0 | 0 | 112 | K9 I86 W87 H128 L129 H180 | K9-M132 PolarHBondContact NZ-O 2.81Å; I86-M132 HydrophobicContact CB-CE 3.65Å; I86-M132 HydrophobicContact CG2-CE 3.85Å; W87-M132 HydrophobicContact CB-CE 4.41Å; W87-M132 HydrophobicContact CD2-CE 4.38Å; W87-M132 HydrophobicContact CG-CE 3.79Å; W87-M132 PolarHBondContact NE1-O 2.83Å; W87-M132 VanDerWaalsContact NE1-O 3.16Å; H128-M132 PolarHBondContact O-N 3.35Å; L129-M132 HydrophobicContact CD2-CE 3.66Å; L129-M132 PolarHBondContact O-N 3.45Å; M132-H180 PolarHBondContact N-CD2 3.06Å; M132-H180 VanDerWaalsContact N-CD2 3.34Å |
| 133 | L | 93.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 137 | 179.3 | -67 | 175.2 | 0 | 0 | 0 | 112 | Q131 Q137 K138 D179 M181 | Q131-L133 PolarHBondContact O-N 2.82Å; L133-Q137 HydrophobicContact CB-CB 4.43Å; L133-Q137 HydrophobicContact CD2-CB 4.11Å; L133-K138 HydrophobicContact CB-CG 3.95Å; L133-K138 HydrophobicContact CD1-CG 4.43Å; L133-D179 WeakPolarHBondContact CB-O 3.28Å; L133-D179 WeakPolarHBondContact CG-O 3.4Å; L133-D179 PolarHBondContact N-O 3.11Å; L133-M181 HydrophobicContact CD1-CB 4.47Å; L133-M181 HydrophobicContact CD2-CB 3.73Å; L133-M181 HydrophobicContact CD2-CE 4.23Å; L133-M181 HydrophobicContact CD2-SD 4.46Å; L133-M181 HydrophobicContact CG-CB 4.18Å |
| 134 | T | 93.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 158.7 | 171.6 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | K9 P71 W87 R136 Q137 K138 | K9-T134 HydrophobicContact CB-CG2 4.12Å; K9-T134 HydrophobicContact CD-CG2 3.97Å; P71-T134 HydrophobicContact CG-CG2 3.92Å; W87-T134 HydrophobicContact CB-CG2 4.17Å; W87-T134 HydrophobicContact CD2-CG2 4.32Å; W87-T134 HydrophobicContact CG-CG2 3.94Å; T134-R136 PolarHBondContact O-N 2.96Å; T134-Q137 PolarHBondContact O-N 3.11Å; T134-Q137 WeakPolarHBondContact OG1-CB 3.5Å; T134-Q137 VanDerWaalsContact OG1-CG 3.28Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.36Å; T134-Q137 PolarHBondContact OG1-N 3.39Å; T134-Q137 PolarHBondContact OG1-OE1 3.36Å; T134-K138 PolarHBondContact O-N 3.06Å; T134-K138 VanDerWaalsContact O-N 3.08Å |
| 135 | P | 90.2 | Very high | 90.7 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.6 | -41.7 | 175 | -27.8 | 35 | 0 | 0 | 0 | 113.1 | W87 Q137 K138 E139 | W87-P135 WeakPolarHBondContact O-CD 3.48Å; W87-P135 WeakPolarHBondContact O-CG 3.26Å; P135-Q137 PolarHBondContact O-N 2.79Å; P135-K138 PolarHBondContact O-N 3.02Å; P135-E139 WeakPolarHBondContact O-CG 3.45Å; P135-E139 PolarHBondContact O-N 2.99Å; P135-E139 VanDerWaalsContact O-N 3.08Å |
| 136 | R | 87.7 | Confident | 90.6 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 178.3 | -172.3 | 175.2 | -180 | 159.3 | 2.3 | 112.8 | E69 T134 K138 E139 I140 | E69-R136 IonicContact OE2-NH1 3.14Å; E69-R136 PolarHBondContact OE2-NH1 3.3Å; T134-R136 PolarHBondContact O-N 2.96Å; R136-K138 VanDerWaalsContact C-N 3.35Å; R136-E139 PolarHBondContact O-N 2.69Å; R136-I140 HydrophobicContact CG-CD1 3.87Å; R136-I140 WeakPolarHBondContact O-CG1 3.47Å; R136-I140 PolarHBondContact O-N 3.47Å; R136-I140 VanDerWaalsContact O-N 3.16Å |
| 137 | Q | 89.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.7 | -76.2 | 171.6 | -58.7 | 0 | 0 | 111.6 | L133 T134 P135 E139 N141 S142 E144 N145 | L133-Q137 HydrophobicContact CB-CB 4.43Å; L133-Q137 HydrophobicContact CD2-CB 4.11Å; T134-Q137 PolarHBondContact O-N 3.11Å; T134-Q137 WeakPolarHBondContact OG1-CB 3.5Å; T134-Q137 VanDerWaalsContact OG1-CG 3.28Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.36Å; T134-Q137 PolarHBondContact OG1-N 3.39Å; T134-Q137 PolarHBondContact OG1-OE1 3.36Å; P135-Q137 PolarHBondContact O-N 2.79Å; Q137-E139 VanDerWaalsContact C-N 3.34Å; Q137-N141 PolarHBondContact O-N 2.86Å; Q137-N141 VanDerWaalsContact O-N 3.08Å; Q137-S142 PolarHBondContact O-N 2.66Å; Q137-E144 PolarHBondContact NE2-O 3.14Å; Q137-N145 PolarHBondContact NE2-OD1 2.92Å |
| 138 | K | 89.5 | Confident | 90.7 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 175.5 | -63.9 | -176.2 | -175.5 | -169.5 | 0 | 112.6 | L133 T134 P135 R136 N141 D179 | L133-K138 HydrophobicContact CB-CG 3.95Å; L133-K138 HydrophobicContact CD1-CG 4.43Å; T134-K138 PolarHBondContact O-N 3.06Å; T134-K138 VanDerWaalsContact O-N 3.08Å; P135-K138 PolarHBondContact O-N 3.02Å; R136-K138 VanDerWaalsContact C-N 3.35Å; K138-N141 PolarHBondContact O-OD1 2.9Å; K138-D179 WeakPolarHBondContact CE-OD1 3.47Å; K138-D179 IonicContact NZ-OD1 3.87Å; K138-D179 PolarHBondContact NZ-OD1 3.49Å; K138-D179 IonicContact NZ-OD2 3.92Å; K138-D179 PolarHBondContact NZ-OD2 2.92Å |
| 139 | E | 87 | Confident | 90.9 | Very high | 161 Ų | 161 | 53.1 Ų | 53.1 | 75% | 0.752 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72 | -40.3 | 178.2 | -74.7 | 176.8 | -175.3 | 0 | 0 | 113.2 | P135 R136 Q137 | P135-E139 WeakPolarHBondContact O-CG 3.45Å; P135-E139 PolarHBondContact O-N 2.99Å; P135-E139 VanDerWaalsContact O-N 3.08Å; R136-E139 PolarHBondContact O-N 2.69Å; Q137-E139 VanDerWaalsContact C-N 3.34Å |
| 140 | I | 85 | Confident | 91 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -87.3 | -13 | -174.3 | -60.7 | 172.8 | 0 | 0 | 0 | 111.7 | R136 S142 | R136-I140 HydrophobicContact CG-CD1 3.87Å; R136-I140 WeakPolarHBondContact O-CG1 3.47Å; R136-I140 PolarHBondContact O-N 3.47Å; R136-I140 VanDerWaalsContact O-N 3.16Å; I140-S142 VanDerWaalsContact C-N 3.34Å |
| 141 | N | 80 | Confident | 91.1 | Very high | 133 Ų | 133 | 53.3 Ų | 53.3 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 56.1 | -167.4 | -70 | -31.5 | 0 | 0 | 0 | 110.7 | Q137 K138 | Q137-N141 PolarHBondContact O-N 2.86Å; Q137-N141 VanDerWaalsContact O-N 3.08Å; K138-N141 PolarHBondContact O-OD1 2.9Å |
| 142 | S | 80.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | trans | -67.4 | 130.8 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | Q137 I140 E144 M181 | Q137-S142 PolarHBondContact O-N 2.66Å; I140-S142 VanDerWaalsContact C-N 3.34Å; S142-E144 VanDerWaalsContact C-N 3.26Å; S142-E144 PolarHBondContact OG-N 3.02Å; S142-E144 PolarHBondContact OG-O 3.02Å; S142-M181 WeakPolarHBondContact O-CE 3.46Å | ||
| 143 | D | 82.1 | Confident | 91.1 | Very high | 154 Ų | 154 | 51.3 Ų | 51.3 | 82% | 0.824 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -75.5 | -15.9 | 172.7 | -63.3 | -36.2 | 0 | 0 | 0 | 112.5 | ||
| 144 | E | 89.5 | Confident | 91 | Very high | 101 Ų | 101 | 50.3 Ų | 50.3 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | trans | -102.8 | 132.2 | 179.4 | -62.6 | -168.2 | 166.4 | 0 | 0 | 112.4 | Q137 S142 K146 M181 | Q137-E144 PolarHBondContact NE2-O 3.14Å; S142-E144 VanDerWaalsContact C-N 3.26Å; S142-E144 PolarHBondContact OG-N 3.02Å; S142-E144 PolarHBondContact OG-O 3.02Å; E144-K146 IonicContact OE1-NZ 3.7Å; E144-K146 WeakPolarHBondContact OE2-CE 3.49Å; E144-K146 IonicContact OE2-NZ 2.68Å; E144-K146 PolarHBondContact OE2-NZ 2.63Å; E144-K146 VanDerWaalsContact OE2-NZ 3.16Å; E144-M181 VanDerWaalsContact C-CE 3.46Å | ||
| 145 | N | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -117.8 | 93.7 | 170.2 | -171.6 | 21.9 | 0 | 0 | 0 | 111 | K9 L130 Q137 M181 D182 V183 T184 | K9-N145 WeakPolarHBondContact CE-OD1 3.41Å; K9-N145 PolarHBondContact NZ-OD1 3.15Å; L130-N145 PolarHBondContact O-ND2 3.06Å; L130-N145 PolarHBondContact O-OD1 3.14Å; Q137-N145 PolarHBondContact NE2-OD1 2.92Å; N145-M181 HydrophobicContact CB-CB 4.44Å; N145-M181 HydrophobicContact CB-CE 3.46Å; N145-M181 VanDerWaalsContact CB-CE 3.46Å; N145-M181 HydrophobicContact CB-CG 4.42Å; N145-M181 PolarHBondContact ND2-O 3.5Å; N145-D182 VanDerWaalsContact CB-O 3.3Å; N145-D182 WeakPolarHBondContact CB-O 3.38Å; N145-V183 CarbonylContact O-C 3.56Å; N145-T184 PolarHBondContact N-OG1 3.13Å; N145-T184 PolarHBondContact O-N 3.42Å | ||
| 146 | K | 94.3 | Very high | 90.6 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.7 | 177.8 | -51 | -170.7 | 173.2 | 171.8 | 0 | 110.9 | E5 Y6 E144 S185 | E5-K146 HydrophobicContact CG-CD 3.9Å; E5-K146 IonicContact OE1-NZ 3.99Å; E5-K146 PolarHBondContact OE1-NZ 2.63Å; Y6-K146 HydrophobicContact CD1-CB 4.34Å; E144-K146 IonicContact OE1-NZ 3.7Å; E144-K146 WeakPolarHBondContact OE2-CE 3.49Å; E144-K146 IonicContact OE2-NZ 2.68Å; E144-K146 PolarHBondContact OE2-NZ 2.63Å; E144-K146 VanDerWaalsContact OE2-NZ 3.16Å; K146-S185 VanDerWaalsContact CA-O 3.32Å; K146-S185 WeakPolarHBondContact CA-O 3.44Å; K146-S185 WeakPolarHBondContact CD-OG 3.29Å; K146-S185 VanDerWaalsContact CE-OG 3.3Å; K146-S185 WeakPolarHBondContact CE-OG 3.33Å; K146-S185 WeakPolarHBondContact CG-OG 3.13Å |
| 147 | G | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K9 S186 E187 | K9-G147 WeakPolarHBondContact O-CA 3.41Å; G147-S186 WeakPolarHBondContact O-CA 3.46Å; G147-S186 WeakPolarHBondContact O-CB 3.47Å; G147-E187 PolarHBondContact O-N 3.32Å |
| 148 | R | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.1 | -178.9 | -180 | 179.9 | -70.4 | 130.2 | -5.2 | 111.3 | K9 T10 V11 V150 E187 H248 | K9-R148 PolarHBondContact O-N 2.98Å; T10-R148 CarbonylContact C-O 3.51Å; T10-R148 WeakPolarHBondContact CA-O 3.46Å; T10-R148 HydrophobicContact CG2-CB 4.41Å; T10-R148 HydrophobicContact CG2-CG 4.45Å; V11-R148 PolarHBondContact N-O 3.21Å; R148-V150 HydrophobicContact CG-CG2 4.04Å; R148-E187 CarbonylContact C-O 3.6Å; R148-E187 VanDerWaalsContact CA-O 3.24Å; R148-E187 WeakPolarHBondContact CA-O 3.4Å; R148-E187 HydrophobicContact CG-CB 4.46Å; R148-E187 WeakPolarHBondContact CG-O 3.29Å; R148-E187 IonicContact CZ-OE1 3.21Å; R148-E187 IonicContact NE-OE1 3.68Å; R148-E187 PolarHBondContact NE-OE1 3.16Å; R148-E187 IonicContact NH2-OE1 3.97Å; R148-E187 PolarHBondContact NH2-OE1 3.23Å; R148-H248 VanDerWaalsContact CD-CE1 3.43Å; R148-H248 WeakPolarHBondContact CD-CE1 3.36Å; R148-H248 PolarHBondContact NE-CD2 3.13Å; R148-H248 PolarHBondContact NH1-O 2.77Å |
| 149 | V | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.8 | 166.9 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | V11 V13 A126 L130 V151 E187 W188 V189 | V11-V149 HydrophobicContact CB-CG1 4.5Å; V11-V149 HydrophobicContact CB-CG2 4.29Å; V11-V149 CarbonylContact O-C 3.58Å; V11-V149 WeakPolarHBondContact O-CA 3.48Å; V13-V149 HydrophobicContact CG2-CG1 3.69Å; A126-V149 HydrophobicContact CB-CG1 4.08Å; A126-V149 HydrophobicContact CB-CG2 4.28Å; L130-V149 HydrophobicContact CD1-CG2 3.63Å; L130-V149 HydrophobicContact CD2-CG2 4.17Å; L130-V149 HydrophobicContact CG-CG2 3.92Å; V149-V151 HydrophobicContact CG1-CG2 4.08Å; V149-E187 PolarHBondContact N-O 2.94Å; V149-W188 HydrophobicContact CB-CD2 3.81Å; V149-W188 HydrophobicContact CB-CE3 3.69Å; V149-W188 HydrophobicContact CB-CG 4.4Å; V149-W188 HydrophobicContact CB-CH2 4.25Å; V149-W188 HydrophobicContact CB-CZ2 4.36Å; V149-W188 HydrophobicContact CB-CZ3 3.92Å; V149-W188 HydrophobicContact CG1-CD2 4.35Å; V149-W188 HydrophobicContact CG1-CE3 3.71Å; V149-W188 HydrophobicContact CG1-CH2 4.13Å; V149-W188 HydrophobicContact CG1-CZ3 3.58Å; V149-W188 HydrophobicContact CG2-CD2 4.13Å; V149-W188 HydrophobicContact CG2-CE3 4.24Å; V149-W188 HydrophobicContact CG2-CH2 3.97Å; V149-W188 HydrophobicContact CG2-CZ2 3.85Å; V149-W188 HydrophobicContact CG2-CZ3 4.17Å; V149-W188 CarbonylContact O-C 3.56Å; V149-W188 WeakPolarHBondContact O-CA 3.48Å; V149-V189 PolarHBondContact O-N 2.98Å |
| 150 | V | 98.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.7 | 174 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | T10 V11 L12 V13 R148 L152 V189 V191 L244 | T10-V150 HydrophobicContact CG2-CG2 4.21Å; V11-V150 PolarHBondContact O-N 3.13Å; L12-V150 WeakPolarHBondContact CA-O 3.33Å; L12-V150 HydrophobicContact CD2-CB 3.65Å; L12-V150 HydrophobicContact CD2-CG1 4.38Å; L12-V150 HydrophobicContact CD2-CG2 3.9Å; V13-V150 PolarHBondContact N-O 3.45Å; R148-V150 HydrophobicContact CG-CG2 4.04Å; V150-L152 HydrophobicContact CG1-CG 4.33Å; V150-V189 CarbonylContact C-O 3.59Å; V150-V189 WeakPolarHBondContact CA-O 3.47Å; V150-V189 HydrophobicContact CG1-CB 4.4Å; V150-V189 HydrophobicContact CG2-CB 4.46Å; V150-V191 HydrophobicContact CG1-CG2 3.85Å; V150-L244 HydrophobicContact CG1-CD1 4.49Å |
| 151 | V | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.7 | -179.9 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | V13 L120 V149 M156 W188 V189 F190 V191 | V13-V151 HydrophobicContact CB-CG2 4.35Å; V13-V151 CarbonylContact O-C 3.59Å; V13-V151 WeakPolarHBondContact O-CA 3.38Å; L120-V151 HydrophobicContact CD1-CG1 4.03Å; L120-V151 HydrophobicContact CD2-CG2 4.16Å; V149-V151 HydrophobicContact CG1-CG2 4.08Å; V151-M156 HydrophobicContact CG1-SD 3.88Å; V151-W188 HydrophobicContact CG2-CE3 4.29Å; V151-W188 HydrophobicContact CG2-CZ3 4.45Å; V151-V189 PolarHBondContact N-O 3.25Å; V151-F190 HydrophobicContact CB-CD1 3.81Å; V151-F190 HydrophobicContact CB-CE1 4.26Å; V151-F190 HydrophobicContact CG1-CD1 4.23Å; V151-F190 HydrophobicContact CG2-CD1 3.93Å; V151-F190 HydrophobicContact CG2-CE1 3.88Å; V151-V191 PolarHBondContact O-N 3.1Å |
| 152 | L | 97 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 107.6 | -176.8 | -67.5 | 156.1 | 0 | 0 | 0 | 108.9 | V13 I14 N15 L51 V55 V150 V191 L241 | V13-L152 PolarHBondContact O-N 3.29Å; I14-L152 HydrophobicContact CG1-CD1 4.11Å; N15-L152 WeakPolarHBondContact CB-O 3.36Å; N15-L152 PolarHBondContact N-O 3.37Å; L51-L152 HydrophobicContact CD1-CB 4.06Å; L51-L152 HydrophobicContact CD1-CD1 4.12Å; L51-L152 HydrophobicContact CD1-CD2 3.92Å; L51-L152 HydrophobicContact CD1-CG 4.25Å; L51-L152 HydrophobicContact CD2-CB 4.27Å; V55-L152 HydrophobicContact CG2-CD1 3.68Å; V150-L152 HydrophobicContact CG1-CG 4.33Å; L152-V191 HydrophobicContact CD2-CB 3.64Å; L152-V191 HydrophobicContact CD2-CG1 3.73Å; L152-V191 HydrophobicContact CD2-CG2 4.06Å; L152-L241 HydrophobicContact CD2-CD1 4.39Å |
| 153 | S | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | -173.2 | -176.4 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | N15 F114 V191 L193 | N15-S153 WeakPolarHBondContact CB-OG 3.38Å; N15-S153 PolarHBondContact ND2-OG 3.15Å; F114-S153 WeakPolarHBondContact CE1-OG 3.19Å; F114-S153 WeakPolarHBondContact CZ-OG 3.46Å; S153-V191 PolarHBondContact N-O 2.93Å; S153-L193 WeakPolarHBondContact O-CB 3.46Å; S153-L193 WeakPolarHBondContact O-CG 3.4Å; S153-L193 PolarHBondContact O-N 2.83Å |
| 154 | M | 91 | Very high | 91.8 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 5% | 0.054 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.8 | 179.6 | -64.5 | -176.9 | 71 | 0 | 0 | 111.7 | M19 V20 I47 M156 D192 L193 | M19-M154 HydrophobicContact CE-CB 4.07Å; V20-M154 HydrophobicContact CB-SD 4.47Å; V20-M154 HydrophobicContact CG1-CG 3.92Å; V20-M154 HydrophobicContact CG1-SD 3.88Å; I47-M154 HydrophobicContact CD1-CE 3.4Å; I47-M154 HydrophobicContact CD1-SD 3.63Å; I47-M154 HydrophobicContact CG2-SD 4.21Å; M154-M156 PolarHBondContact O-N 3.27Å; M154-D192 WeakPolarHBondContact CA-OD1 3.19Å; M154-L193 HydrophobicContact CG-CB 3.93Å; M154-L193 WeakPolarHBondContact CG-O 3.41Å |
| 155 | S | 85 | Confident | 91.9 | Very high | 50 Ų | 50 | 25.3 Ų | 25.3 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 54.7 | 32.1 | 176 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | L115 D192 | L115-S155 WeakPolarHBondContact CD2-O 3.37Å; S155-D192 WeakPolarHBondContact CA-OD1 3.27Å; S155-D192 PolarHBondContact N-OD1 3.14Å |
| 156 | M | 90 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -73.1 | -27.5 | -176.6 | -73 | -170.5 | -72.3 | 0 | 0 | 114.3 | F114 V151 M154 N158 K159 V160 W163 F190 V191 D192 | F114-M156 HydrophobicContact CE1-CG 3.67Å; F114-M156 HydrophobicContact CZ-CG 3.7Å; F114-M156 HydrophobicContact CZ-SD 4.19Å; V151-M156 HydrophobicContact CG1-SD 3.88Å; M154-M156 PolarHBondContact O-N 3.27Å; M156-N158 PolarHBondContact O-N 3.35Å; M156-K159 WeakPolarHBondContact O-CA 3.36Å; M156-K159 WeakPolarHBondContact O-CB 3.3Å; M156-K159 PolarHBondContact O-N 2.86Å; M156-V160 HydrophobicContact CB-CG2 3.92Å; M156-V160 WeakPolarHBondContact O-CG2 3.12Å; M156-V160 PolarHBondContact O-N 3.46Å; M156-W163 HydrophobicContact CB-CZ3 4.42Å; M156-W163 HydrophobicContact CG-CH2 4.24Å; M156-W163 HydrophobicContact CG-CZ3 4.15Å; M156-W163 HydrophobicContact SD-CZ3 4.16Å; M156-F190 HydrophobicContact CE-CB 4.2Å; M156-F190 HydrophobicContact SD-CB 4.48Å; M156-F190 HydrophobicContact SD-CD1 4.24Å; M156-V191 WeakPolarHBondContact CE-O 3.48Å; M156-D192 HydrophobicContact CB-CB 4.43Å; M156-D192 HydrophobicContact CE-CB 4.04Å; M156-D192 VanDerWaalsContact N-CG 3.26Å; M156-D192 PolarHBondContact N-OD1 2.93Å; M156-D192 PolarHBondContact N-OD2 3.47Å | ||
| 157 | G | 84.5 | Confident | 91.8 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -41.8 | -51.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116 | K159 D192 Y227 | G157-K159 PolarHBondContact O-N 3.2Å; G157-D192 PolarHBondContact N-OD2 3.12Å; G157-Y227 WeakPolarHBondContact CA-OH 3.48Å |
| 158 | N | 83.4 | Confident | 91.7 | Very high | 166 Ų | 166 | 26.9 Ų | 26.9 | 89% | 0.888 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -74.4 | -9.5 | -176.2 | -62.5 | -17.7 | 0 | 0 | 0 | 114.5 | M156 | M156-N158 PolarHBondContact O-N 3.35Å |
| 159 | K | 88.1 | Confident | 91.4 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 30% | 0.296 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -107.1 | -26.8 | -173.2 | -69 | -76.5 | 167.6 | 163.3 | 0 | 113.4 | L115 M156 G157 S161 S162 W163 | L115-K159 HydrophobicContact CD2-CG 4.19Å; L115-K159 WeakPolarHBondContact O-CE 3.07Å; L115-K159 PolarHBondContact O-NZ 3.03Å; M156-K159 WeakPolarHBondContact O-CA 3.36Å; M156-K159 WeakPolarHBondContact O-CB 3.3Å; M156-K159 PolarHBondContact O-N 2.86Å; G157-K159 PolarHBondContact O-N 3.2Å; K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 2.7Å; K159-S162 WeakPolarHBondContact O-CB 3.3Å; K159-S162 PolarHBondContact O-N 2.99Å; K159-S162 PolarHBondContact O-OG 3.14Å; K159-W163 HydrophobicContact CB-CD2 4.41Å; K159-W163 HydrophobicContact CB-CH2 3.81Å; K159-W163 HydrophobicContact CB-CZ2 3.58Å; K159-W163 HydrophobicContact CB-CZ3 4.34Å; K159-W163 HydrophobicContact CG-CZ2 4.34Å; K159-W163 PolarHBondContact O-N 2.67Å |
| 160 | V | 90.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.6 | -46.5 | -175.7 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | M156 S162 W163 I164 F190 L211 Y227 | M156-V160 HydrophobicContact CB-CG2 3.92Å; M156-V160 WeakPolarHBondContact O-CG2 3.12Å; M156-V160 PolarHBondContact O-N 3.46Å; V160-S162 PolarHBondContact O-N 2.58Å; V160-W163 HydrophobicContact CG2-CZ3 4.41Å; V160-W163 PolarHBondContact O-N 3.01Å; V160-I164 PolarHBondContact O-N 2.9Å; V160-F190 HydrophobicContact CG1-CB 4.45Å; V160-F190 HydrophobicContact CG1-CD1 4.19Å; V160-F190 HydrophobicContact CG1-CD2 3.36Å; V160-F190 HydrophobicContact CG1-CE1 4.28Å; V160-F190 HydrophobicContact CG1-CE2 3.46Å; V160-F190 VanDerWaalsContact CG1-CE2 3.46Å; V160-F190 HydrophobicContact CG1-CG 3.75Å; V160-F190 HydrophobicContact CG1-CZ 3.94Å; V160-F190 HydrophobicContact CG2-CB 4.12Å; V160-F190 HydrophobicContact CG2-CD1 4.22Å; V160-F190 HydrophobicContact CG2-CD2 4.47Å; V160-F190 HydrophobicContact CG2-CG 4.03Å; V160-L211 HydrophobicContact CB-CD1 4.5Å; V160-L211 HydrophobicContact CG1-CD1 3.5Å; V160-L211 VanDerWaalsContact CG1-CD1 3.5Å; V160-Y227 HydrophobicContact CG2-CD2 4.08Å; V160-Y227 HydrophobicContact CG2-CE2 4.31Å |
| 161 | S | 88.6 | Confident | 90.9 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -28.8 | -179.9 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | K159 | K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 2.7Å |
| 162 | S | 88.8 | Confident | 90.4 | Very high | 59 Ų | 59 | 39 Ų | 39 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78 | -23.1 | 175.7 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | K159 V160 | K159-S162 WeakPolarHBondContact O-CB 3.3Å; K159-S162 PolarHBondContact O-N 2.99Å; K159-S162 PolarHBondContact O-OG 3.14Å; V160-S162 PolarHBondContact O-N 2.58Å |
| 163 | W | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.9 | -22.7 | 179.4 | -61.7 | -28.2 | 0 | 0 | 0 | 113.8 | F114 L120 M156 K159 V160 D166 I167 F190 | F114-W163 AromaticContact CE1-CH2 3.81Å; F114-W163 HydrophobicContact CE1-CH2 3.81Å; F114-W163 HydrophobicContact CE2-CH2 4.09Å; F114-W163 AromaticContact CZ-CH2 3.39Å; F114-W163 HydrophobicContact CZ-CH2 3.39Å; F114-W163 HydrophobicContact CZ-CZ2 4.2Å; F114-W163 HydrophobicContact CZ-CZ3 4.17Å; L120-W163 HydrophobicContact CB-CB 4.17Å; L120-W163 HydrophobicContact CB-CD2 3.95Å; L120-W163 HydrophobicContact CB-CE3 4.24Å; L120-W163 HydrophobicContact CB-CG 3.94Å; L120-W163 HydrophobicContact CD1-CD2 4.25Å; L120-W163 HydrophobicContact CD1-CE3 3.76Å; L120-W163 HydrophobicContact CD1-CH2 4.37Å; L120-W163 HydrophobicContact CD1-CZ3 3.84Å; M156-W163 HydrophobicContact CB-CZ3 4.42Å; M156-W163 HydrophobicContact CG-CH2 4.24Å; M156-W163 HydrophobicContact CG-CZ3 4.15Å; M156-W163 HydrophobicContact SD-CZ3 4.16Å; K159-W163 HydrophobicContact CB-CD2 4.41Å; K159-W163 HydrophobicContact CB-CH2 3.81Å; K159-W163 HydrophobicContact CB-CZ2 3.58Å; K159-W163 HydrophobicContact CB-CZ3 4.34Å; K159-W163 HydrophobicContact CG-CZ2 4.34Å; K159-W163 PolarHBondContact O-N 2.67Å; V160-W163 HydrophobicContact CG2-CZ3 4.41Å; V160-W163 PolarHBondContact O-N 3.01Å; W163-D166 PolarHBondContact O-N 2.9Å; W163-D166 VanDerWaalsContact O-N 3.16Å; W163-I167 HydrophobicContact CB-CD1 4.34Å; W163-I167 WeakPolarHBondContact O-CG1 3.33Å; W163-I167 PolarHBondContact O-N 3.46Å; W163-F190 HydrophobicContact CE3-CE1 4.2Å |
| 164 | I | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55 | -49.6 | -178.8 | -68.6 | 171.1 | 0 | 0 | 0 | 112 | V160 D166 I167 L168 L211 L213 I217 F225 | V160-I164 PolarHBondContact O-N 2.9Å; I164-D166 VanDerWaalsContact C-N 3.3Å; I164-D166 PolarHBondContact O-N 3.41Å; I164-I167 WeakPolarHBondContact O-CB 3.43Å; I164-I167 PolarHBondContact O-N 3.38Å; I164-L168 HydrophobicContact CG2-CD1 4.07Å; I164-L168 HydrophobicContact CG2-CG 4.49Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 3.26Å; I164-L211 HydrophobicContact CD1-CD1 4.35Å; I164-L213 HydrophobicContact CG2-CD2 4Å; I164-I217 HydrophobicContact CG2-CD1 3.72Å; I164-F225 HydrophobicContact CD1-CB 4.26Å; I164-F225 HydrophobicContact CD1-CD1 4.41Å; I164-F225 HydrophobicContact CD1-CD2 4.47Å; I164-F225 HydrophobicContact CD1-CG 4.13Å; I164-F225 HydrophobicContact CG1-CD1 3.92Å; I164-F225 HydrophobicContact CG1-CE1 4.16Å; I164-F225 HydrophobicContact CG1-CG 4.12Å; I164-F225 HydrophobicContact CG2-CD2 4.21Å; I164-F225 HydrophobicContact CG2-CE1 4.28Å; I164-F225 HydrophobicContact CG2-CE2 3.84Å; I164-F225 HydrophobicContact CG2-CZ 3.87Å |
| 165 | P | 91 | Very high | 89.2 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 177.4 | -24 | 34.2 | 0 | 0 | 0 | 113.1 | L168 S169 I217 | P165-L168 PolarHBondContact O-N 2.94Å; P165-S169 WeakPolarHBondContact O-CB 3.43Å; P165-S169 PolarHBondContact O-N 3.27Å; P165-I217 HydrophobicContact CG-CD1 4.18Å |
| 166 | D | 91.2 | Very high | 88.9 | Confident | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.4 | -75.9 | -1.3 | 0 | 0 | 0 | 111.3 | S119 L123 W163 I164 S169 Y170 | S119-D166 WeakPolarHBondContact CB-OD2 3.35Å; L123-D166 HydrophobicContact CD2-CB 4.27Å; W163-D166 PolarHBondContact O-N 2.9Å; W163-D166 VanDerWaalsContact O-N 3.16Å; I164-D166 VanDerWaalsContact C-N 3.3Å; I164-D166 PolarHBondContact O-N 3.41Å; D166-S169 PolarHBondContact O-N 3.07Å; D166-S169 PolarHBondContact O-OG 2.92Å; D166-Y170 WeakPolarHBondContact O-CB 3.43Å; D166-Y170 PolarHBondContact O-N 3.49Å |
| 167 | I | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -51.2 | 175.7 | -69.4 | 160.2 | 0 | 0 | 0 | 110.7 | L120 L123 W163 I164 S169 Y170 L171 W188 F190 F225 | L120-I167 HydrophobicContact CD2-CD1 4.25Å; L123-I167 HydrophobicContact CD1-CB 4.22Å; L123-I167 HydrophobicContact CD1-CG1 3.59Å; L123-I167 HydrophobicContact CD1-CG2 4.47Å; L123-I167 HydrophobicContact CD2-CG1 4.4Å; W163-I167 HydrophobicContact CB-CD1 4.34Å; W163-I167 WeakPolarHBondContact O-CG1 3.33Å; W163-I167 PolarHBondContact O-N 3.46Å; I164-I167 WeakPolarHBondContact O-CB 3.43Å; I164-I167 PolarHBondContact O-N 3.38Å; I167-S169 PolarHBondContact O-N 3.32Å; I167-Y170 PolarHBondContact O-N 3.25Å; I167-Y170 VanDerWaalsContact O-N 3.15Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.44Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.06Å; I167-W188 HydrophobicContact CD1-CD2 4.28Å; I167-W188 HydrophobicContact CD1-CE3 3.99Å; I167-W188 HydrophobicContact CD1-CZ3 4.17Å; I167-W188 HydrophobicContact CG1-CH2 4.33Å; I167-W188 HydrophobicContact CG1-CZ3 4.33Å; I167-W188 HydrophobicContact CG2-CD2 4.13Å; I167-W188 HydrophobicContact CG2-CH2 4.14Å; I167-W188 HydrophobicContact CG2-CZ2 3.53Å; I167-F190 HydrophobicContact CD1-CZ 3.79Å; I167-F225 HydrophobicContact CB-CE1 4.42Å; I167-F225 HydrophobicContact CD1-CE1 4.08Å; I167-F225 HydrophobicContact CG2-CE1 4.02Å; I167-F225 HydrophobicContact CG2-CZ 4.29Å |
| 168 | L | 93.2 | Very high | 88.5 | Confident | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | -179.6 | -65.4 | 174 | 0 | 0 | 0 | 111.1 | I164 P165 Y170 L171 E172 I217 D221 H223 F225 | I164-L168 HydrophobicContact CG2-CD1 4.07Å; I164-L168 HydrophobicContact CG2-CG 4.49Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 3.26Å; P165-L168 PolarHBondContact O-N 2.94Å; L168-Y170 PolarHBondContact O-N 3.48Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; L168-L171 PolarHBondContact O-N 2.98Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L168-E172 WeakPolarHBondContact O-CG 3.42Å; L168-E172 PolarHBondContact O-N 2.95Å; L168-E172 VanDerWaalsContact O-N 3.07Å; L168-I217 HydrophobicContact CD1-CB 4.41Å; L168-I217 HydrophobicContact CD1-CD1 3.56Å; L168-I217 HydrophobicContact CD1-CG1 3.89Å; L168-I217 HydrophobicContact CD1-CG2 3.6Å; L168-D221 WeakPolarHBondContact CD2-OD2 3.41Å; L168-H223 HydrophobicContact CD2-CB 3.85Å; L168-F225 HydrophobicContact CD2-CE2 4.18Å; L168-F225 HydrophobicContact CD2-CZ 3.89Å; L168-F225 HydrophobicContact CG-CZ 4.19Å |
| 169 | S | 91 | Very high | 88.7 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -30.8 | 177.6 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | P165 D166 I167 K173 | P165-S169 WeakPolarHBondContact O-CB 3.43Å; P165-S169 PolarHBondContact O-N 3.27Å; D166-S169 PolarHBondContact O-N 3.07Å; D166-S169 PolarHBondContact O-OG 2.92Å; I167-S169 PolarHBondContact O-N 3.32Å; S169-K173 WeakPolarHBondContact O-CG 3.35Å |
| 170 | Y | 92.8 | Very high | 88.9 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.2 | -41 | 178.5 | -156.4 | -75.5 | 0 | 0 | 0 | 111.7 | S124 C127 D166 I167 L168 E172 K173 | S124-Y170 PolarHBondContact OG-OH 2.97Å; C127-Y170 HydrophobicContact CB-CD1 3.33Å; C127-Y170 HydrophobicContact CB-CE1 3.57Å; C127-Y170 HydrophobicContact CB-CG 4.36Å; D166-Y170 WeakPolarHBondContact O-CB 3.43Å; D166-Y170 PolarHBondContact O-N 3.49Å; I167-Y170 PolarHBondContact O-N 3.25Å; I167-Y170 VanDerWaalsContact O-N 3.15Å; L168-Y170 PolarHBondContact O-N 3.48Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; Y170-E172 VanDerWaalsContact C-N 3.25Å; Y170-E172 PolarHBondContact O-N 3.4Å; Y170-K173 HydrophobicContact CD2-CD 4.42Å; Y170-K173 HydrophobicContact CG-CD 4.49Å; Y170-K173 WeakPolarHBondContact O-CB 3.48Å; Y170-K173 PolarHBondContact O-N 3.21Å |
| 171 | L | 92.1 | Very high | 89 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -26.3 | 178.4 | -69 | 172.9 | 0 | 0 | 0 | 112.8 | C127 L130 I167 L168 V183 | C127-L171 HydrophobicContact CB-CD2 4.24Å; L130-L171 HydrophobicContact CD1-CD2 4.26Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.44Å; I167-L171 WeakPolarHBondContact O-CG 3.47Å; I167-L171 PolarHBondContact O-N 3.06Å; L168-L171 PolarHBondContact O-N 2.98Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L171-V183 HydrophobicContact CD2-CB 4.15Å; L171-V183 HydrophobicContact CD2-CG1 4.47Å; L171-V183 HydrophobicContact CD2-CG2 3.94Å |
| 172 | E | 88.1 | Confident | 89.1 | Confident | 140 Ų | 140 | 64.8 Ų | 64.8 | 65% | 0.654 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.8 | 175.5 | -70.7 | 179.1 | 169.5 | 0 | 0 | 114.2 | L168 Y170 | L168-E172 WeakPolarHBondContact O-CG 3.42Å; L168-E172 PolarHBondContact O-N 2.95Å; L168-E172 VanDerWaalsContact O-N 3.07Å; Y170-E172 VanDerWaalsContact C-N 3.25Å; Y170-E172 PolarHBondContact O-N 3.4Å |
| 173 | K | 88.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 62 Ų | 62 | 46% | 0.457 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -65.1 | 134 | -179.7 | -73.1 | 175.7 | -174.8 | 172.1 | 0 | 110.3 | S169 Y170 | S169-K173 WeakPolarHBondContact O-CG 3.35Å; Y170-K173 HydrophobicContact CD2-CD 4.42Å; Y170-K173 HydrophobicContact CG-CD 4.49Å; Y170-K173 WeakPolarHBondContact O-CB 3.48Å; Y170-K173 PolarHBondContact O-N 3.21Å |
| 174 | P | 83.1 | Confident | 89.4 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 81% | 0.805 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 140.4 | 179.4 | 26.2 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 175 | I | 85.7 | Confident | 89.4 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 128.9 | -178.3 | -59.7 | 172.4 | 0 | 0 | 0 | 109.1 | Q131 H180 M181 D182 | Q131-I175 HydrophobicContact CB-CD1 3.84Å; Q131-I175 HydrophobicContact CG-CD1 3.49Å; Q131-I175 VanDerWaalsContact CG-CD1 3.49Å; Q131-I175 HydrophobicContact CG-CG1 4.27Å; I175-H180 HydrophobicContact CG2-CB 3.39Å; I175-M181 WeakPolarHBondContact CD1-O 3.46Å; I175-D182 HydrophobicContact CD1-CB 4.47Å; I175-D182 WeakPolarHBondContact CD1-OD1 3.3Å; I175-D182 WeakPolarHBondContact CG1-OD1 3.42Å |
| 176 | D | 78.8 | Confident | 89.7 | Confident | 167 Ų | 167 | 62.7 Ų | 62.7 | 89% | 0.893 | 34% | 0.335 | S | S | * | . | trans | -118.4 | 15.4 | 178.2 | -164.1 | 23.9 | 0 | 0 | 0 | 112.7 | ||||
| 177 | T | 85.6 | Confident | 89.9 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -102.9 | 131.4 | -178.4 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | D179 H180 | T177-D179 PolarHBondContact O-N 2.78Å; T177-H180 PolarHBondContact O-N 2.98Å; T177-H180 VanDerWaalsContact OG1-CB 3.28Å; T177-H180 WeakPolarHBondContact OG1-CB 3.26Å; T177-H180 PolarHBondContact OG1-ND1 3.33Å |
| 178 | L | 78.8 | Confident | 90 | Very high | 165 Ų | 165 | 59.8 Ų | 59.8 | 86% | 0.864 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 135 | 170.6 | -162.4 | 77.8 | 0 | 0 | 0 | 108.8 | ||
| 179 | D | 88.8 | Confident | 90.1 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 6.9 | -173 | -61.6 | -42.4 | 0 | 0 | 0 | 117.5 | L133 K138 T177 | L133-D179 WeakPolarHBondContact CB-O 3.28Å; L133-D179 WeakPolarHBondContact CG-O 3.4Å; L133-D179 PolarHBondContact N-O 3.11Å; K138-D179 WeakPolarHBondContact CE-OD1 3.47Å; K138-D179 IonicContact NZ-OD1 3.87Å; K138-D179 PolarHBondContact NZ-OD1 3.49Å; K138-D179 IonicContact NZ-OD2 3.92Å; K138-D179 PolarHBondContact NZ-OD2 2.92Å; T177-D179 PolarHBondContact O-N 2.78Å |
| 180 | H | 91.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 153.1 | 174.1 | -64.7 | 67.7 | 0 | 0 | 0 | 111.2 | H128 Q131 M132 I175 T177 | H128-H180 AromaticContact CE1-CD2 3.93Å; H128-H180 AromaticContact CE1-CE1 3.73Å; H128-H180 AromaticContact CE1-NE2 3.04Å; H128-H180 PolarHBondContact CE1-NE2 3.23Å; H128-H180 AromaticContact ND1-NE2 3.58Å; H128-H180 AromaticContact NE2-NE2 3.32Å; H128-H180 PolarHBondContact NE2-NE2 3.3Å; Q131-H180 HydrophobicContact CB-CB 4.31Å; Q131-H180 CarbonylContact O-C 3.59Å; Q131-H180 VanDerWaalsContact O-CA 3.26Å; Q131-H180 WeakPolarHBondContact O-CA 3.38Å; M132-H180 PolarHBondContact N-CD2 3.06Å; M132-H180 VanDerWaalsContact N-CD2 3.34Å; I175-H180 HydrophobicContact CG2-CB 3.39Å; T177-H180 PolarHBondContact O-N 2.98Å; T177-H180 VanDerWaalsContact OG1-CB 3.28Å; T177-H180 WeakPolarHBondContact OG1-CB 3.26Å; T177-H180 PolarHBondContact OG1-ND1 3.33Å |
| 181 | M | 92.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | trans | -142.2 | 146.7 | 178.9 | -171.3 | 163.7 | 84 | 0 | 0 | 110.4 | Q131 L133 S142 E144 N145 I175 V183 | Q131-M181 WeakPolarHBondContact CA-O 3.23Å; Q131-M181 PolarHBondContact O-N 3.18Å; L133-M181 HydrophobicContact CD1-CB 4.47Å; L133-M181 HydrophobicContact CD2-CB 3.73Å; L133-M181 HydrophobicContact CD2-CE 4.23Å; L133-M181 HydrophobicContact CD2-SD 4.46Å; L133-M181 HydrophobicContact CG-CB 4.18Å; S142-M181 WeakPolarHBondContact O-CE 3.46Å; E144-M181 VanDerWaalsContact C-CE 3.46Å; N145-M181 HydrophobicContact CB-CB 4.44Å; N145-M181 HydrophobicContact CB-CE 3.46Å; N145-M181 VanDerWaalsContact CB-CE 3.46Å; N145-M181 HydrophobicContact CB-CG 4.42Å; N145-M181 PolarHBondContact ND2-O 3.5Å; I175-M181 WeakPolarHBondContact CD1-O 3.46Å; M181-V183 PolarHBondContact O-N 2.84Å | ||
| 182 | D | 92 | Very high | 90.7 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | trans | -55.3 | 137.8 | 178.2 | -68.6 | -21.4 | 0 | 0 | 0 | 110.4 | N145 I175 T184 | N145-D182 VanDerWaalsContact CB-O 3.3Å; N145-D182 WeakPolarHBondContact CB-O 3.38Å; I175-D182 HydrophobicContact CD1-CB 4.47Å; I175-D182 WeakPolarHBondContact CD1-OD1 3.3Å; I175-D182 WeakPolarHBondContact CG1-OD1 3.42Å; D182-T184 PolarHBondContact O-N 2.95Å; D182-T184 VanDerWaalsContact O-N 3.12Å | ||
| 183 | V | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | trans | -76 | 105.3 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | L130 Q131 N145 L171 M181 S185 | L130-V183 HydrophobicContact CB-CG2 3.75Å; L130-V183 HydrophobicContact CD1-CG1 4.5Å; Q131-V183 HydrophobicContact CG-CG2 3.8Å; N145-V183 CarbonylContact O-C 3.56Å; L171-V183 HydrophobicContact CD2-CB 4.15Å; L171-V183 HydrophobicContact CD2-CG1 4.47Å; L171-V183 HydrophobicContact CD2-CG2 3.94Å; M181-V183 PolarHBondContact O-N 2.84Å; V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.42Å | ||
| 184 | T | 92.6 | Very high | 91 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -60.8 | -40.7 | -178.5 | -47.6 | 0 | 0 | 0 | 0 | 111.8 | N145 D182 R222 | N145-T184 PolarHBondContact N-OG1 3.13Å; N145-T184 PolarHBondContact O-N 3.42Å; D182-T184 PolarHBondContact O-N 2.95Å; D182-T184 VanDerWaalsContact O-N 3.12Å; T184-R222 WeakPolarHBondContact O-CD 3.45Å; T184-R222 WeakPolarHBondContact O-CG 3.46Å; T184-R222 PolarHBondContact O-NE 2.92Å |
| 185 | S | 93.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 148.2 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | Y6 K146 V183 R222 | Y6-S185 WeakPolarHBondContact CE1-OG 3.42Å; K146-S185 VanDerWaalsContact CA-O 3.32Å; K146-S185 WeakPolarHBondContact CA-O 3.44Å; K146-S185 WeakPolarHBondContact CD-OG 3.29Å; K146-S185 VanDerWaalsContact CE-OG 3.3Å; K146-S185 WeakPolarHBondContact CE-OG 3.33Å; K146-S185 WeakPolarHBondContact CG-OG 3.13Å; V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.42Å; S185-R222 WeakPolarHBondContact CB-O 3.49Å |
| 186 | S | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 157 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 113 | G147 W188 H223 R224 | G147-S186 WeakPolarHBondContact O-CA 3.46Å; G147-S186 WeakPolarHBondContact O-CB 3.47Å; S186-W188 PolarHBondContact OG-NE1 3.4Å; S186-H223 PolarHBondContact N-ND1 3.44Å; S186-H223 VanDerWaalsContact N-ND1 3.17Å; S186-H223 CarbonylContact O-C 3.56Å; S186-H223 VanDerWaalsContact O-CA 3.28Å; S186-H223 WeakPolarHBondContact O-CA 3.45Å; S186-H223 PolarHBondContact OG-ND1 3.25Å; S186-R224 PolarHBondContact O-N 3.05Å |
| 187 | E | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.6 | 174.1 | -172.3 | 176.4 | 72.6 | 0 | 0 | 109.5 | M1 Y6 G147 R148 V149 V189 R224 F226 | M1-E187 VanDerWaalsContact CE-CD 3.49Å; M1-E187 WeakPolarHBondContact CE-OE1 3.47Å; Y6-E187 HydrophobicContact CD1-CB 4.09Å; Y6-E187 HydrophobicContact CD2-CB 3.8Å; Y6-E187 HydrophobicContact CD2-CG 4.48Å; Y6-E187 HydrophobicContact CE2-CB 4.29Å; Y6-E187 HydrophobicContact CG-CB 3.69Å; G147-E187 PolarHBondContact O-N 3.32Å; R148-E187 CarbonylContact C-O 3.6Å; R148-E187 VanDerWaalsContact CA-O 3.24Å; R148-E187 WeakPolarHBondContact CA-O 3.4Å; R148-E187 HydrophobicContact CG-CB 4.46Å; R148-E187 WeakPolarHBondContact CG-O 3.29Å; R148-E187 IonicContact CZ-OE1 3.21Å; R148-E187 IonicContact NE-OE1 3.68Å; R148-E187 PolarHBondContact NE-OE1 3.16Å; R148-E187 IonicContact NH2-OE1 3.97Å; R148-E187 PolarHBondContact NH2-OE1 3.23Å; V149-E187 PolarHBondContact N-O 2.94Å; E187-V189 HydrophobicContact CG-CG2 4.29Å; E187-R224 CarbonylContact C-O 3.45Å; E187-R224 WeakPolarHBondContact CA-O 3.43Å; E187-R224 HydrophobicContact CG-CB 4.47Å; E187-F226 HydrophobicContact CG-CD2 3.75Å; E187-F226 HydrophobicContact CG-CE2 3.7Å; E187-F226 VanDerWaalsContact OE2-CE2 3.27Å; E187-F226 WeakPolarHBondContact OE2-CE2 3.48Å |
| 188 | W | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.1 | 178.4 | -70.8 | 74.7 | 0 | 0 | 0 | 109.5 | L120 L123 A126 L130 V149 V151 I167 S186 F190 R224 F225 F226 | L120-W188 HydrophobicContact CD2-CE3 4.26Å; L120-W188 HydrophobicContact CD2-CH2 4.48Å; L120-W188 HydrophobicContact CD2-CZ3 3.59Å; L123-W188 HydrophobicContact CD1-CH2 3.69Å; L123-W188 HydrophobicContact CD1-CZ2 4.39Å; L123-W188 HydrophobicContact CD1-CZ3 4.36Å; A126-W188 HydrophobicContact CB-CH2 4.05Å; L130-W188 HydrophobicContact CD1-CZ2 4.28Å; V149-W188 HydrophobicContact CB-CD2 3.81Å; V149-W188 HydrophobicContact CB-CE3 3.69Å; V149-W188 HydrophobicContact CB-CG 4.4Å; V149-W188 HydrophobicContact CB-CH2 4.25Å; V149-W188 HydrophobicContact CB-CZ2 4.36Å; V149-W188 HydrophobicContact CB-CZ3 3.92Å; V149-W188 HydrophobicContact CG1-CD2 4.35Å; V149-W188 HydrophobicContact CG1-CE3 3.71Å; V149-W188 HydrophobicContact CG1-CH2 4.13Å; V149-W188 HydrophobicContact CG1-CZ3 3.58Å; V149-W188 HydrophobicContact CG2-CD2 4.13Å; V149-W188 HydrophobicContact CG2-CE3 4.24Å; V149-W188 HydrophobicContact CG2-CH2 3.97Å; V149-W188 HydrophobicContact CG2-CZ2 3.85Å; V149-W188 HydrophobicContact CG2-CZ3 4.17Å; V149-W188 CarbonylContact O-C 3.56Å; V149-W188 WeakPolarHBondContact O-CA 3.48Å; V151-W188 HydrophobicContact CG2-CE3 4.29Å; V151-W188 HydrophobicContact CG2-CZ3 4.45Å; I167-W188 HydrophobicContact CD1-CD2 4.28Å; I167-W188 HydrophobicContact CD1-CE3 3.99Å; I167-W188 HydrophobicContact CD1-CZ3 4.17Å; I167-W188 HydrophobicContact CG1-CH2 4.33Å; I167-W188 HydrophobicContact CG1-CZ3 4.33Å; I167-W188 HydrophobicContact CG2-CD2 4.13Å; I167-W188 HydrophobicContact CG2-CH2 4.14Å; I167-W188 HydrophobicContact CG2-CZ2 3.53Å; S186-W188 PolarHBondContact OG-NE1 3.4Å; W188-F190 HydrophobicContact CB-CE2 4.08Å; W188-F190 HydrophobicContact CB-CZ 4.38Å; W188-F190 HydrophobicContact CE3-CZ 4.28Å; W188-R224 PolarHBondContact N-O 3.01Å; W188-F225 HydrophobicContact CB-CD1 3.64Å; W188-F225 HydrophobicContact CB-CE1 4.03Å; W188-F225 AromaticContact CD1-CE1 3.86Å; W188-F225 HydrophobicContact CG-CD1 4.04Å; W188-F225 AromaticContact CG-CE1 3.9Å; W188-F225 HydrophobicContact CG-CE1 3.9Å; W188-F225 CarbonylContact O-C 3.57Å; W188-F225 WeakPolarHBondContact O-CA 3.2Å; W188-F226 PolarHBondContact O-N 2.92Å |
| 189 | V | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 112.1 | -179.4 | -173 | 0 | 0 | 0 | 0 | 108.9 | M1 V149 V150 V151 E187 V191 P208 F226 L244 | M1-V189 HydrophobicContact CE-CG2 3.89Å; V149-V189 PolarHBondContact O-N 2.98Å; V150-V189 CarbonylContact C-O 3.59Å; V150-V189 WeakPolarHBondContact CA-O 3.47Å; V150-V189 HydrophobicContact CG1-CB 4.4Å; V150-V189 HydrophobicContact CG2-CB 4.46Å; V151-V189 PolarHBondContact N-O 3.25Å; E187-V189 HydrophobicContact CG-CG2 4.29Å; V189-V191 HydrophobicContact CG1-CG2 4.07Å; V189-P208 HydrophobicContact CG1-CB 4.42Å; V189-P208 HydrophobicContact CG1-CG 4.27Å; V189-F226 HydrophobicContact CG1-CB 4.37Å; V189-F226 HydrophobicContact CG2-CB 4.32Å; V189-L244 HydrophobicContact CG1-CD2 4.25Å |
| 190 | F | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.6 | 177.7 | -60.4 | -85.3 | 0 | 0 | 0 | 109.9 | L120 V151 M156 V160 W163 I167 W188 L211 F225 F226 Y227 H228 | L120-F190 HydrophobicContact CD2-CE1 4.2Å; V151-F190 HydrophobicContact CB-CD1 3.81Å; V151-F190 HydrophobicContact CB-CE1 4.26Å; V151-F190 HydrophobicContact CG1-CD1 4.23Å; V151-F190 HydrophobicContact CG2-CD1 3.93Å; V151-F190 HydrophobicContact CG2-CE1 3.88Å; M156-F190 HydrophobicContact CE-CB 4.2Å; M156-F190 HydrophobicContact SD-CB 4.48Å; M156-F190 HydrophobicContact SD-CD1 4.24Å; V160-F190 HydrophobicContact CG1-CB 4.45Å; V160-F190 HydrophobicContact CG1-CD1 4.19Å; V160-F190 HydrophobicContact CG1-CD2 3.36Å; V160-F190 HydrophobicContact CG1-CE1 4.28Å; V160-F190 HydrophobicContact CG1-CE2 3.46Å; V160-F190 VanDerWaalsContact CG1-CE2 3.46Å; V160-F190 HydrophobicContact CG1-CG 3.75Å; V160-F190 HydrophobicContact CG1-CZ 3.94Å; V160-F190 HydrophobicContact CG2-CB 4.12Å; V160-F190 HydrophobicContact CG2-CD1 4.22Å; V160-F190 HydrophobicContact CG2-CD2 4.47Å; V160-F190 HydrophobicContact CG2-CG 4.03Å; W163-F190 HydrophobicContact CE3-CE1 4.2Å; I167-F190 HydrophobicContact CD1-CZ 3.79Å; W188-F190 HydrophobicContact CB-CE2 4.08Å; W188-F190 HydrophobicContact CB-CZ 4.38Å; W188-F190 HydrophobicContact CE3-CZ 4.28Å; F190-L211 HydrophobicContact CD2-CD1 4.41Å; F190-F225 HydrophobicContact CE2-CD1 4.04Å; F190-F226 WeakPolarHBondContact CD2-O 3.49Å; F190-F226 PolarHBondContact N-O 3.46Å; F190-Y227 HydrophobicContact CB-CD2 4.11Å; F190-Y227 WeakPolarHBondContact O-CA 3.34Å; F190-H228 PolarHBondContact O-N 2.54Å |
| 191 | V | 96.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 102.9 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | V150 V151 L152 S153 M156 V189 L193 H228 L230 L244 | V150-V191 HydrophobicContact CG1-CG2 3.85Å; V151-V191 PolarHBondContact O-N 3.1Å; L152-V191 HydrophobicContact CD2-CB 3.64Å; L152-V191 HydrophobicContact CD2-CG1 3.73Å; L152-V191 HydrophobicContact CD2-CG2 4.06Å; S153-V191 PolarHBondContact N-O 2.93Å; M156-V191 WeakPolarHBondContact CE-O 3.48Å; V189-V191 HydrophobicContact CG1-CG2 4.07Å; V191-L193 HydrophobicContact CG1-CD2 3.95Å; V191-H228 CarbonylContact C-O 3.53Å; V191-H228 WeakPolarHBondContact CA-O 3.38Å; V191-L230 HydrophobicContact CG1-CB 4.45Å; V191-L230 HydrophobicContact CG1-CD1 3.68Å; V191-L230 HydrophobicContact CG1-CG 4.29Å; V191-L244 HydrophobicContact CG2-CD1 3.71Å |
| 192 | D | 94 | Very high | 86.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.5 | -176 | -158.1 | 3.9 | 0 | 0 | 0 | 110.7 | M154 S155 M156 G157 F194 Y227 H228 L230 | M154-D192 WeakPolarHBondContact CA-OD1 3.19Å; S155-D192 WeakPolarHBondContact CA-OD1 3.27Å; S155-D192 PolarHBondContact N-OD1 3.14Å; M156-D192 HydrophobicContact CB-CB 4.43Å; M156-D192 HydrophobicContact CE-CB 4.04Å; M156-D192 VanDerWaalsContact N-CG 3.26Å; M156-D192 PolarHBondContact N-OD1 2.93Å; M156-D192 PolarHBondContact N-OD2 3.47Å; G157-D192 PolarHBondContact N-OD2 3.12Å; D192-F194 HydrophobicContact CB-CE2 3.88Å; D192-F194 HydrophobicContact CB-CZ 4.44Å; D192-F194 WeakPolarHBondContact O-CD2 3.12Å; D192-F194 WeakPolarHBondContact O-CE2 3.35Å; D192-Y227 HydrophobicContact CB-CE2 3.6Å; D192-Y227 WeakPolarHBondContact CB-OH 3.36Å; D192-Y227 PolarHBondContact OD2-OH 3.37Å; D192-H228 PolarHBondContact N-O 2.81Å; D192-L230 PolarHBondContact O-N 3.48Å |
| 193 | L | 93.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.1 | -171.5 | -56 | 177.2 | 0 | 0 | 0 | 111.1 | I47 L51 S153 M154 V191 L230 A232 L237 | I47-L193 HydrophobicContact CG2-CD1 4.14Å; L51-L193 HydrophobicContact CD1-CD1 3.9Å; L51-L193 HydrophobicContact CD2-CD1 3.84Å; L51-L193 HydrophobicContact CG-CD1 4.33Å; S153-L193 WeakPolarHBondContact O-CB 3.46Å; S153-L193 WeakPolarHBondContact O-CG 3.4Å; S153-L193 PolarHBondContact O-N 2.83Å; M154-L193 HydrophobicContact CG-CB 3.93Å; M154-L193 WeakPolarHBondContact CG-O 3.41Å; V191-L193 HydrophobicContact CG1-CD2 3.95Å; L193-L230 WeakPolarHBondContact CA-O 3.27Å; L193-L230 HydrophobicContact CD2-CB 4.22Å; L193-A232 HydrophobicContact CB-CB 4.28Å; L193-L237 HydrophobicContact CD2-CD1 3.45Å; L193-L237 VanDerWaalsContact CD2-CD1 3.45Å |
| 194 | F | 90.7 | Very high | 82.8 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.7 | 179.8 | -66.2 | -89 | 0 | 0 | 0 | 111.6 | D192 F199 K229 L230 P231 A232 | D192-F194 HydrophobicContact CB-CE2 3.88Å; D192-F194 HydrophobicContact CB-CZ 4.44Å; D192-F194 WeakPolarHBondContact O-CD2 3.12Å; D192-F194 WeakPolarHBondContact O-CE2 3.35Å; F194-F199 HydrophobicContact CB-CD2 3.97Å; F194-F199 HydrophobicContact CG-CD2 4.49Å; F194-K229 HydrophobicContact CE2-CB 4.32Å; F194-K229 HydrophobicContact CE2-CG 3.99Å; F194-L230 PolarHBondContact N-O 2.95Å; F194-P231 CarbonylContact O-C 3.57Å; F194-P231 WeakPolarHBondContact O-CA 3.42Å; F194-A232 VanDerWaalsContact O-CB 3.32Å; F194-A232 WeakPolarHBondContact O-CB 3.27Å; F194-A232 PolarHBondContact O-N 2.95Å |
| 195 | P | 89.6 | Confident | 81.7 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | trans | -64.2 | 155.6 | 172.2 | 28.5 | -33.2 | 0 | 0 | 0 | 110.7 | I47 S197 E198 F199 | I47-P195 HydrophobicContact CD1-CB 4.27Å; P195-S197 PolarHBondContact O-N 3.37Å; P195-E198 HydrophobicContact CG-CB 4.17Å; P195-E198 HydrophobicContact CG-CG 3.91Å; P195-E198 PolarHBondContact O-N 3.37Å; P195-F199 PolarHBondContact O-N 3.26Å | ||
| 196 | A | 84.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -31.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S24 E198 T233 | S24-A196 WeakPolarHBondContact O-CB 3.48Å; S24-A196 PolarHBondContact O-N 3.38Å; A196-E198 VanDerWaalsContact C-N 3.29Å; A196-E198 PolarHBondContact O-N 2.67Å; A196-T233 HydrophobicContact CB-CG2 3.74Å |
| 197 | S | 82.5 | Confident | 80 | Confident | 108 Ų | 108 | 47.3 Ų | 47.3 | 76% | 0.755 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.7 | -179.7 | 52 | 0 | 0 | 0 | 0 | 114.4 | P195 | P195-S197 PolarHBondContact O-N 3.37Š|
| 198 | E | 81.5 | Confident | 79.7 | Confident | 127 Ų | 127 | 48.1 Ų | 48.1 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -8.8 | -176.2 | -67.4 | 177.1 | -165.5 | 0 | 0 | 112.4 | P195 A196 | P195-E198 HydrophobicContact CG-CB 4.17Å; P195-E198 HydrophobicContact CG-CG 3.91Å; P195-E198 PolarHBondContact O-N 3.37Å; A196-E198 VanDerWaalsContact C-N 3.29Å; A196-E198 PolarHBondContact O-N 2.67Å |
| 199 | F | 73.3 | Confident | 79.5 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | trans | -91.7 | 112.6 | -176.3 | -150.5 | -89.1 | 0 | 0 | 0 | 111.2 | F194 P195 V203 N204 K229 P231 | F194-F199 HydrophobicContact CB-CD2 3.97Å; F194-F199 HydrophobicContact CG-CD2 4.49Å; P195-F199 PolarHBondContact O-N 3.26Å; F199-V203 WeakPolarHBondContact CE1-O 3.45Å; F199-V203 WeakPolarHBondContact CZ-O 3.27Å; F199-N204 HydrophobicContact CE1-CB 4.3Å; F199-N204 WeakPolarHBondContact CE1-OD1 3.37Å; F199-N204 WeakPolarHBondContact CZ-OD1 3.17Å; F199-K229 HydrophobicContact CE2-CB 4.46Å; F199-P231 HydrophobicContact CD1-CG 3.81Å; F199-P231 HydrophobicContact CD2-CB 4.36Å; F199-P231 HydrophobicContact CD2-CG 3.92Å; F199-P231 HydrophobicContact CE1-CG 3.71Å; F199-P231 HydrophobicContact CE2-CG 3.81Å; F199-P231 HydrophobicContact CG-CB 4.34Å; F199-P231 HydrophobicContact CG-CG 3.89Å; F199-P231 HydrophobicContact CZ-CG 3.69Å | ||
| 200 | S | 65.5 | Low | 79.2 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | trans | -69.2 | 130.6 | 169.4 | 165.9 | 0 | 0 | 0 | 0 | 109.9 | D202 V203 | S200-D202 PolarHBondContact O-N 3.31Å; S200-D202 PolarHBondContact OG-N 2.95Å; S200-V203 PolarHBondContact O-N 2.74Å; S200-V203 VanDerWaalsContact O-N 3.11Å | ||
| 201 | A | 56.6 | Low | 78.9 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 75% | 0.752 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 202 | D | 52.8 | Low | 78.4 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 82% | 0.824 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.7 | -178.2 | -68.8 | -31 | 0 | 0 | 0 | 114.1 | S200 | S200-D202 PolarHBondContact O-N 3.31Å; S200-D202 PolarHBondContact OG-N 2.95Å |
| 203 | V | 53.5 | Low | 77.9 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -118.3 | 36.2 | -170.6 | -157.5 | 0 | 0 | 0 | 0 | 113.1 | F199 S200 E205 | F199-V203 WeakPolarHBondContact CE1-O 3.45Å; F199-V203 WeakPolarHBondContact CZ-O 3.27Å; S200-V203 PolarHBondContact O-N 2.74Å; S200-V203 VanDerWaalsContact O-N 3.11Å; V203-E205 PolarHBondContact O-N 2.69Å | ||
| 204 | N | 56.9 | Low | 77.4 | Confident | 66 Ų | 66 | 74 Ų | 74 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | trans | -78.4 | 80.2 | 167.3 | -98 | -32.1 | 0 | 0 | 0 | 109.5 | F199 L206 P231 | F199-N204 HydrophobicContact CE1-CB 4.3Å; F199-N204 WeakPolarHBondContact CE1-OD1 3.37Å; F199-N204 WeakPolarHBondContact CZ-OD1 3.17Å; N204-L206 PolarHBondContact O-N 3.03Å; N204-L206 VanDerWaalsContact O-N 3.12Å; N204-P231 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 205 | E | 68.7 | Low | 76.9 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | trans | -58.7 | 112.6 | 166.4 | -73.7 | 166.6 | -152.1 | 0 | 0 | 107.7 | V203 Y207 H228 | V203-E205 PolarHBondContact O-N 2.69Å; E205-Y207 VanDerWaalsContact C-N 3.25Å; E205-Y207 PolarHBondContact O-N 2.92Å; E205-H228 PolarHBondContact O-CE1 2.92Å | ||
| 206 | L | 72.3 | Confident | 76.4 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 28% | 0.283 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -71.7 | -21.9 | -176.1 | -84.6 | 132.3 | 0 | 0 | 0 | 112.9 | N204 R243 | N204-L206 PolarHBondContact O-N 3.03Å; N204-L206 VanDerWaalsContact O-N 3.12Å; L206-R243 WeakPolarHBondContact O-CD 3.39Å |
| 207 | Y | 81.2 | Confident | 76.2 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -137.3 | 152.5 | -172.7 | -61 | -81.5 | 0 | 0 | 0 | 110.4 | E205 D302 S317 | E205-Y207 VanDerWaalsContact C-N 3.25Å; E205-Y207 PolarHBondContact O-N 2.92Å; Y207-D302 PolarHBondContact OH-OD2 2.84Å; Y207-S317 WeakPolarHBondContact OH-CB 3.37Å |
| 208 | P | 90.5 | Very high | 76 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 12% | 0.117 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 134.5 | 170.7 | -22.3 | 33.6 | 0 | 0 | 0 | 111.9 | M1 V189 F226 Y227 H228 L244 | M1-P208 HydrophobicContact SD-CB 4.32Å; M1-P208 HydrophobicContact SD-CG 4.01Å; V189-P208 HydrophobicContact CG1-CB 4.42Å; V189-P208 HydrophobicContact CG1-CG 4.27Å; P208-F226 HydrophobicContact CB-CB 3.88Å; P208-F226 HydrophobicContact CB-CD1 4.3Å; P208-F226 HydrophobicContact CB-CG 4.43Å; P208-Y227 CarbonylContact C-O 3.53Å; P208-Y227 WeakPolarHBondContact CA-O 3.1Å; P208-H228 HydrophobicContact CB-CB 3.96Å; P208-H228 HydrophobicContact CG-CB 3.99Å; P208-L244 HydrophobicContact CG-CD2 3.45Å; P208-L244 VanDerWaalsContact CG-CD2 3.45Å |
| 209 | E | 91.1 | Very high | 75.4 | Confident | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.8 | 173.2 | -62 | -168.9 | 162 | 0 | 0 | 110 | L211 F226 Y227 | E209-L211 PolarHBondContact O-N 3.26Å; E209-F226 CarbonylContact O-C 3.5Å; E209-F226 WeakPolarHBondContact O-CA 3.46Å; E209-Y227 PolarHBondContact N-O 3.32Å; E209-Y227 PolarHBondContact O-N 3.44Å |
| 210 | Q | 91.3 | Very high | 75.1 | Confident | 133 Ų | 133 | 89 Ų | 89 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.4 | 174.4 | -171.6 | 170.2 | -5.9 | 0 | 0 | 109.3 | F226 | Q210-F226 HydrophobicContact CB-CD1 3.95Å; Q210-F226 HydrophobicContact CB-CE1 3.65Å; Q210-F226 HydrophobicContact CB-CZ 4.39Å; Q210-F226 HydrophobicContact CG-CD1 4.45Å; Q210-F226 HydrophobicContact CG-CE1 4.02Å; Q210-F226 HydrophobicContact CG-CZ 4.28Å |
| 211 | L | 90.5 | Very high | 75.8 | Confident | 43 Ų | 43 | 87.8 Ų | 87.8 | 23% | 0.225 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 140.3 | 178.4 | -69.9 | 171.7 | 0 | 0 | 0 | 110.9 | V160 I164 F190 E209 F225 Y227 | V160-L211 HydrophobicContact CB-CD1 4.5Å; V160-L211 HydrophobicContact CG1-CD1 3.5Å; V160-L211 VanDerWaalsContact CG1-CD1 3.5Å; I164-L211 HydrophobicContact CD1-CD1 4.35Å; F190-L211 HydrophobicContact CD2-CD1 4.41Å; E209-L211 PolarHBondContact O-N 3.26Å; L211-F225 HydrophobicContact CB-CB 4.28Å; L211-F225 HydrophobicContact CD1-CB 4.17Å; L211-F225 PolarHBondContact N-O 3.02Å; L211-Y227 HydrophobicContact CD2-CG 4.47Å |
| 212 | E | 84.7 | Confident | 77.4 | Confident | 186 Ų | 186 | 89.5 Ų | 89.5 | 87% | 0.869 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 130.4 | 166.5 | -65.5 | -170.1 | 168.6 | 0 | 0 | 109.7 | ||
| 213 | L | 84.4 | Confident | 79.3 | Confident | 41 Ų | 41 | 82.5 Ų | 82.5 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 139 | 177.2 | -72 | 169.4 | 0 | 0 | 0 | 109.8 | I164 I217 D218 D221 F225 | I164-L213 HydrophobicContact CG2-CD2 4Å; L213-I217 HydrophobicContact CB-CB 4.46Å; L213-I217 HydrophobicContact CB-CG2 4.46Å; L213-I217 HydrophobicContact CD1-CG2 4.13Å; L213-I217 HydrophobicContact CD2-CG2 4.27Å; L213-D218 WeakPolarHBondContact CD1-O 3.23Å; L213-D221 HydrophobicContact CD1-CB 3.86Å; L213-F225 HydrophobicContact CD2-CD2 3.63Å; L213-F225 HydrophobicContact CD2-CE2 3.8Å |
| 214 | P | 82.6 | Confident | 81.2 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 20% | 0.201 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 142.5 | 170.6 | -28.1 | 34.7 | 0 | 0 | 0 | 112.2 | N216 I217 | P214-N216 WeakPolarHBondContact CB-OD1 3.5Å; P214-N216 PolarHBondContact O-N 3.22Å; P214-I217 HydrophobicContact CB-CD1 4.16Å; P214-I217 HydrophobicContact CG-CD1 4.06Å; P214-I217 PolarHBondContact O-N 3.49Å |
| 215 | N | 80.3 | Confident | 83 | Confident | 178 Ų | 178 | 79.8 Ų | 79.8 | 95% | 0.952 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -16.3 | -173.3 | -66.4 | -24.1 | 0 | 0 | 0 | 115.8 | ||
| 216 | N | 80.1 | Confident | 84.2 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.2 | 179 | 62.4 | -40.2 | 0 | 0 | 0 | 113.9 | P214 | P214-N216 WeakPolarHBondContact CB-OD1 3.5Å; P214-N216 PolarHBondContact O-N 3.22Å |
| 217 | I | 80 | Confident | 85.3 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -113.3 | 145.2 | -178.6 | -64 | 160.4 | 0 | 0 | 0 | 109.2 | I164 P165 L168 L213 P214 D221 | I164-I217 HydrophobicContact CG2-CD1 3.72Å; P165-I217 HydrophobicContact CG-CD1 4.18Å; L168-I217 HydrophobicContact CD1-CB 4.41Å; L168-I217 HydrophobicContact CD1-CD1 3.56Å; L168-I217 HydrophobicContact CD1-CG1 3.89Å; L168-I217 HydrophobicContact CD1-CG2 3.6Å; L213-I217 HydrophobicContact CB-CB 4.46Å; L213-I217 HydrophobicContact CB-CG2 4.46Å; L213-I217 HydrophobicContact CD1-CG2 4.13Å; L213-I217 HydrophobicContact CD2-CG2 4.27Å; P214-I217 HydrophobicContact CB-CD1 4.16Å; P214-I217 HydrophobicContact CG-CD1 4.06Å; P214-I217 PolarHBondContact O-N 3.49Å; I217-D221 HydrophobicContact CG2-CB 4.34Å |
| 218 | D | 79 | Confident | 85.9 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | trans | -62.3 | 125.5 | 177.7 | -172.4 | -13.9 | 0 | 0 | 0 | 110.2 | L213 N220 D221 | L213-D218 WeakPolarHBondContact CD1-O 3.23Å; D218-N220 PolarHBondContact O-N 2.83Å; D218-N220 VanDerWaalsContact O-N 3.13Å; D218-N220 PolarHBondContact OD1-N 2.95Å; D218-D221 WeakPolarHBondContact O-CB 3.33Å; D218-D221 PolarHBondContact O-N 3.36Å | ||
| 219 | P | 68.2 | Low | 86 | Confident | 111 Ų | 111 | 74.3 Ų | 74.3 | 72% | 0.721 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.6 | 174.8 | 24 | -34.5 | 0 | 0 | 0 | 114 | D221 | P219-D221 VanDerWaalsContact C-N 3.29Š|
| 220 | N | 67.8 | Low | 86 | Confident | 141 Ų | 141 | 69.3 Ų | 69.3 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 23 | 173.8 | -64.8 | -46.4 | 0 | 0 | 0 | 113.2 | D218 R222 | D218-N220 PolarHBondContact O-N 2.83Å; D218-N220 VanDerWaalsContact O-N 3.13Å; D218-N220 PolarHBondContact OD1-N 2.95Å; N220-R222 PolarHBondContact O-N 3.18Å |
| 221 | D | 80.4 | Confident | 86 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | trans | -55.2 | 137.9 | 174.9 | -157.7 | -58 | 0 | 0 | 0 | 110.9 | L168 L213 I217 D218 P219 H223 | L168-D221 WeakPolarHBondContact CD2-OD2 3.41Å; L213-D221 HydrophobicContact CD1-CB 3.86Å; I217-D221 HydrophobicContact CG2-CB 4.34Å; D218-D221 WeakPolarHBondContact O-CB 3.33Å; D218-D221 PolarHBondContact O-N 3.36Å; P219-D221 VanDerWaalsContact C-N 3.29Å; D221-H223 PolarHBondContact O-N 3.27Å; D221-H223 VanDerWaalsContact OD1-CB 3.3Å; D221-H223 WeakPolarHBondContact OD1-CB 3.33Å; D221-H223 IonicContact OD1-CD2 3.95Å; D221-H223 PolarHBondContact OD1-CD2 3.3Å; D221-H223 IonicContact OD1-CG 2.84Å; D221-H223 PolarHBondContact OD1-N 3.23Å | ||
| 222 | R | 89.5 | Confident | 86.1 | Confident | 127 Ų | 127 | 61.3 Ų | 61.3 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.3 | -9.1 | 178.1 | 66.9 | -156.6 | -172.6 | 167.7 | -6.9 | 112.7 | T184 S185 N220 | T184-R222 WeakPolarHBondContact O-CD 3.45Å; T184-R222 WeakPolarHBondContact O-CG 3.46Å; T184-R222 PolarHBondContact O-NE 2.92Å; S185-R222 WeakPolarHBondContact CB-O 3.49Å; N220-R222 PolarHBondContact O-N 3.18Å |
| 223 | H | 92.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | trans | -102.1 | 123.6 | 178.7 | -54.6 | -68.5 | 0 | 0 | 0 | 110.3 | L168 S186 D221 F225 | L168-H223 HydrophobicContact CD2-CB 3.85Å; S186-H223 PolarHBondContact N-ND1 3.44Å; S186-H223 VanDerWaalsContact N-ND1 3.17Å; S186-H223 CarbonylContact O-C 3.56Å; S186-H223 VanDerWaalsContact O-CA 3.28Å; S186-H223 WeakPolarHBondContact O-CA 3.45Å; S186-H223 PolarHBondContact OG-ND1 3.25Å; D221-H223 PolarHBondContact O-N 3.27Å; D221-H223 VanDerWaalsContact OD1-CB 3.3Å; D221-H223 WeakPolarHBondContact OD1-CB 3.33Å; D221-H223 IonicContact OD1-CD2 3.95Å; D221-H223 PolarHBondContact OD1-CD2 3.3Å; D221-H223 IonicContact OD1-CG 2.84Å; D221-H223 PolarHBondContact OD1-N 3.23Å; H223-F225 HydrophobicContact CB-CE2 4Å; H223-F225 HydrophobicContact CB-CZ 4.08Å; H223-F225 WeakPolarHBondContact O-CE2 3.32Å | ||
| 224 | R | 93 | Very high | 86.7 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.8 | -176.8 | -58.7 | -178.9 | -174.5 | 172.3 | 3.5 | 110.1 | E2 E5 Y6 S186 E187 W188 F226 | E2-R224 IonicContact OE2-CZ 3.31Å; E2-R224 IonicContact OE2-NH1 3.69Å; E2-R224 PolarHBondContact OE2-NH1 3.49Å; E2-R224 IonicContact OE2-NH2 3.49Å; E2-R224 PolarHBondContact OE2-NH2 3.31Å; E5-R224 IonicContact OE2-CZ 3.68Å; E5-R224 IonicContact OE2-NH1 3.21Å; E5-R224 IonicContact OE2-NH2 3.89Å; E5-R224 PolarHBondContact OE2-NH2 3.19Å; Y6-R224 PolarHBondContact OH-NE 3.09Å; S186-R224 PolarHBondContact O-N 3.05Å; E187-R224 CarbonylContact C-O 3.45Å; E187-R224 WeakPolarHBondContact CA-O 3.43Å; E187-R224 HydrophobicContact CG-CB 4.47Å; W188-R224 PolarHBondContact N-O 3.01Å; R224-F226 HydrophobicContact CB-CE2 3.8Å |
| 225 | F | 94.3 | Very high | 87 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.3 | -178.8 | -57.1 | -89.9 | 0 | 0 | 0 | 110.2 | I164 I167 L168 W188 F190 L211 L213 H223 | I164-F225 HydrophobicContact CD1-CB 4.26Å; I164-F225 HydrophobicContact CD1-CD1 4.41Å; I164-F225 HydrophobicContact CD1-CD2 4.47Å; I164-F225 HydrophobicContact CD1-CG 4.13Å; I164-F225 HydrophobicContact CG1-CD1 3.92Å; I164-F225 HydrophobicContact CG1-CE1 4.16Å; I164-F225 HydrophobicContact CG1-CG 4.12Å; I164-F225 HydrophobicContact CG2-CD2 4.21Å; I164-F225 HydrophobicContact CG2-CE1 4.28Å; I164-F225 HydrophobicContact CG2-CE2 3.84Å; I164-F225 HydrophobicContact CG2-CZ 3.87Å; I167-F225 HydrophobicContact CB-CE1 4.42Å; I167-F225 HydrophobicContact CD1-CE1 4.08Å; I167-F225 HydrophobicContact CG2-CE1 4.02Å; I167-F225 HydrophobicContact CG2-CZ 4.29Å; L168-F225 HydrophobicContact CD2-CE2 4.18Å; L168-F225 HydrophobicContact CD2-CZ 3.89Å; L168-F225 HydrophobicContact CG-CZ 4.19Å; W188-F225 HydrophobicContact CB-CD1 3.64Å; W188-F225 HydrophobicContact CB-CE1 4.03Å; W188-F225 AromaticContact CD1-CE1 3.86Å; W188-F225 HydrophobicContact CG-CD1 4.04Å; W188-F225 AromaticContact CG-CE1 3.9Å; W188-F225 HydrophobicContact CG-CE1 3.9Å; W188-F225 CarbonylContact O-C 3.57Å; W188-F225 WeakPolarHBondContact O-CA 3.2Å; F190-F225 HydrophobicContact CE2-CD1 4.04Å; L211-F225 HydrophobicContact CB-CB 4.28Å; L211-F225 HydrophobicContact CD1-CB 4.17Å; L211-F225 PolarHBondContact N-O 3.02Å; L213-F225 HydrophobicContact CD2-CD2 3.63Å; L213-F225 HydrophobicContact CD2-CE2 3.8Å; H223-F225 HydrophobicContact CB-CE2 4Å; H223-F225 HydrophobicContact CB-CZ 4.08Å; H223-F225 WeakPolarHBondContact O-CE2 3.32Å |
| 226 | F | 94.7 | Very high | 87.5 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.8 | -179.6 | -66.1 | -90.4 | 0 | 0 | 0 | 110.2 | M1 E187 W188 V189 F190 P208 E209 Q210 R224 | M1-F226 HydrophobicContact CG-CD1 4.11Å; M1-F226 HydrophobicContact CG-CE1 3.71Å; M1-F226 HydrophobicContact CG-CE2 4.16Å; M1-F226 HydrophobicContact CG-CZ 3.75Å; E187-F226 HydrophobicContact CG-CD2 3.75Å; E187-F226 HydrophobicContact CG-CE2 3.7Å; E187-F226 VanDerWaalsContact OE2-CE2 3.27Å; E187-F226 WeakPolarHBondContact OE2-CE2 3.48Å; W188-F226 PolarHBondContact O-N 2.92Å; V189-F226 HydrophobicContact CG1-CB 4.37Å; V189-F226 HydrophobicContact CG2-CB 4.32Å; F190-F226 WeakPolarHBondContact CD2-O 3.49Å; F190-F226 PolarHBondContact N-O 3.46Å; P208-F226 HydrophobicContact CB-CB 3.88Å; P208-F226 HydrophobicContact CB-CD1 4.3Å; P208-F226 HydrophobicContact CB-CG 4.43Å; E209-F226 CarbonylContact O-C 3.5Å; E209-F226 WeakPolarHBondContact O-CA 3.46Å; Q210-F226 HydrophobicContact CB-CD1 3.95Å; Q210-F226 HydrophobicContact CB-CE1 3.65Å; Q210-F226 HydrophobicContact CB-CZ 4.39Å; Q210-F226 HydrophobicContact CG-CD1 4.45Å; Q210-F226 HydrophobicContact CG-CE1 4.02Å; Q210-F226 HydrophobicContact CG-CZ 4.28Å; R224-F226 HydrophobicContact CB-CE2 3.8Å |
| 227 | Y | 94.7 | Very high | 88.1 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139 | 175.5 | 178.4 | -101.7 | 0 | 0 | 0 | 109.8 | G157 V160 F190 D192 P208 E209 L211 K229 | G157-Y227 WeakPolarHBondContact CA-OH 3.48Å; V160-Y227 HydrophobicContact CG2-CD2 4.08Å; V160-Y227 HydrophobicContact CG2-CE2 4.31Å; F190-Y227 HydrophobicContact CB-CD2 4.11Å; F190-Y227 WeakPolarHBondContact O-CA 3.34Å; D192-Y227 HydrophobicContact CB-CE2 3.6Å; D192-Y227 WeakPolarHBondContact CB-OH 3.36Å; D192-Y227 PolarHBondContact OD2-OH 3.37Å; P208-Y227 CarbonylContact C-O 3.53Å; P208-Y227 WeakPolarHBondContact CA-O 3.1Å; E209-Y227 PolarHBondContact N-O 3.32Å; E209-Y227 PolarHBondContact O-N 3.44Å; L211-Y227 HydrophobicContact CD2-CG 4.47Å; Y227-K229 HydrophobicContact CD1-CG 4.49Å; Y227-K229 HydrophobicContact CE1-CD 4.1Å; Y227-K229 HydrophobicContact CE1-CG 3.54Å; Y227-K229 WeakPolarHBondContact OH-CE 3.35Å |
| 228 | H | 94 | Very high | 88.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 122.3 | -175.9 | -170.2 | 40.1 | 0 | 0 | 0 | 110.4 | F190 V191 D192 E205 P208 L230 | F190-H228 PolarHBondContact O-N 2.54Å; V191-H228 CarbonylContact C-O 3.53Å; V191-H228 WeakPolarHBondContact CA-O 3.38Å; D192-H228 PolarHBondContact N-O 2.81Å; E205-H228 PolarHBondContact O-CE1 2.92Å; P208-H228 HydrophobicContact CB-CB 3.96Å; P208-H228 HydrophobicContact CG-CB 3.99Å; H228-L230 VanDerWaalsContact CD2-CG 3.5Å; H228-L230 WeakPolarHBondContact CD2-CG 3.37Å; H228-L230 VanDerWaalsContact NE2-CD2 3.27Å; H228-L230 WeakPolarHBondContact NE2-CD2 3.19Å; H228-L230 WeakPolarHBondContact NE2-CG 3.35Å |
| 229 | K | 92 | Very high | 89.4 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.8 | 172.9 | -69 | 175.6 | 171.8 | 137.7 | 0 | 110.1 | F194 F199 Y227 | F194-K229 HydrophobicContact CE2-CB 4.32Å; F194-K229 HydrophobicContact CE2-CG 3.99Å; F199-K229 HydrophobicContact CE2-CB 4.46Å; Y227-K229 HydrophobicContact CD1-CG 4.49Å; Y227-K229 HydrophobicContact CE1-CD 4.1Å; Y227-K229 HydrophobicContact CE1-CG 3.54Å; Y227-K229 WeakPolarHBondContact OH-CE 3.35Å |
| 230 | L | 91.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137 | 176.7 | -76.6 | 179.8 | 0 | 0 | 0 | 112.4 | V191 D192 L193 F194 H228 L237 L241 | V191-L230 HydrophobicContact CG1-CB 4.45Å; V191-L230 HydrophobicContact CG1-CD1 3.68Å; V191-L230 HydrophobicContact CG1-CG 4.29Å; D192-L230 PolarHBondContact O-N 3.48Å; L193-L230 WeakPolarHBondContact CA-O 3.27Å; L193-L230 HydrophobicContact CD2-CB 4.22Å; F194-L230 PolarHBondContact N-O 2.95Å; H228-L230 VanDerWaalsContact CD2-CG 3.5Å; H228-L230 WeakPolarHBondContact CD2-CG 3.37Å; H228-L230 VanDerWaalsContact NE2-CD2 3.27Å; H228-L230 WeakPolarHBondContact NE2-CD2 3.19Å; H228-L230 WeakPolarHBondContact NE2-CG 3.35Å; L230-L237 HydrophobicContact CD1-CD1 4.25Å; L230-L241 HydrophobicContact CD1-CD1 4.34Å |
| 231 | P | 91.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 135.9 | 163.3 | -15.6 | 28.6 | 0 | 0 | 0 | 110.1 | F194 F199 N204 T233 E236 | F194-P231 CarbonylContact O-C 3.57Å; F194-P231 WeakPolarHBondContact O-CA 3.42Å; F199-P231 HydrophobicContact CD1-CG 3.81Å; F199-P231 HydrophobicContact CD2-CB 4.36Å; F199-P231 HydrophobicContact CD2-CG 3.92Å; F199-P231 HydrophobicContact CE1-CG 3.71Å; F199-P231 HydrophobicContact CE2-CG 3.81Å; F199-P231 HydrophobicContact CG-CB 4.34Å; F199-P231 HydrophobicContact CG-CG 3.89Å; F199-P231 HydrophobicContact CZ-CG 3.69Å; N204-P231 WeakPolarHBondContact OD1-CG 3.28Å; P231-T233 PolarHBondContact O-N 3.11Å; P231-E236 HydrophobicContact CB-CB 3.83Å; P231-E236 HydrophobicContact CB-CG 4.15Å; P231-E236 HydrophobicContact CG-CB 3.97Å; P231-E236 HydrophobicContact CG-CG 4.11Å |
| 232 | A | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -84.7 | 6.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S24 I47 N50 L193 F194 | S24-A232 VanDerWaalsContact CB-O 3.26Å; S24-A232 WeakPolarHBondContact CB-O 3.5Å; I47-A232 HydrophobicContact CB-CB 4.24Å; I47-A232 HydrophobicContact CD1-CB 3.66Å; I47-A232 HydrophobicContact CG1-CB 3.62Å; I47-A232 HydrophobicContact CG2-CB 3.84Å; N50-A232 PolarHBondContact ND2-O 3.39Å; L193-A232 HydrophobicContact CB-CB 4.28Å; F194-A232 VanDerWaalsContact O-CB 3.32Å; F194-A232 WeakPolarHBondContact O-CB 3.27Å; F194-A232 PolarHBondContact O-N 2.95Å | ||
| 233 | T | 91.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.067 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -67.2 | 150.1 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 110.9 | D26 A196 P231 Q235 E236 L237 | D26-T233 VanDerWaalsContact OD1-CB 3.26Å; D26-T233 WeakPolarHBondContact OD1-CB 3.49Å; D26-T233 WeakPolarHBondContact OD1-CG2 3.34Å; D26-T233 VanDerWaalsContact OD2-CA 3.27Å; D26-T233 WeakPolarHBondContact OD2-CA 3.32Å; A196-T233 HydrophobicContact CB-CG2 3.74Å; P231-T233 PolarHBondContact O-N 3.11Å; T233-Q235 PolarHBondContact O-N 3.24Å; T233-E236 WeakPolarHBondContact CB-OE2 3.12Å; T233-E236 PolarHBondContact O-N 2.55Å; T233-E236 PolarHBondContact OG1-OE2 2.94Å; T233-L237 WeakPolarHBondContact O-CB 3.33Å; T233-L237 PolarHBondContact O-N 3.29Å |
| 234 | S | 90.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 25% | 0.245 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | -165.6 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | D26 N50 Y238 | D26-S234 PolarHBondContact OD1-N 3.24Å; D26-S234 PolarHBondContact OD2-N 3.47Å; N50-S234 PolarHBondContact ND2-N 2.86Å; S234-Y238 VanDerWaalsContact O-CB 3.27Å; S234-Y238 WeakPolarHBondContact O-CB 3.42Å; S234-Y238 PolarHBondContact O-N 3.02Å; S234-Y238 VanDerWaalsContact O-N 3.17Å |
| 235 | Q | 88.8 | Confident | 93 | Very high | 82 Ų | 82 | 18.4 Ų | 18.4 | 38% | 0.383 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -73.7 | -46.7 | -176.9 | -175.6 | 63.3 | 31.2 | 0 | 0 | 112 | T233 Q239 H313 | T233-Q235 PolarHBondContact O-N 3.24Å; Q235-Q239 WeakPolarHBondContact O-CB 3.43Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.3Å; Q235-Q239 PolarHBondContact O-N 3.03Å; Q235-H313 PolarHBondContact NE2-O 2.97Å |
| 236 | E | 90.3 | Very high | 93 | Very high | 74 Ų | 74 | 19.2 Ų | 19.2 | 35% | 0.346 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -65.9 | -42 | -179 | -70.3 | 82 | 175.7 | 0 | 0 | 111.7 | P231 T233 Q239 G240 | P231-E236 HydrophobicContact CB-CB 3.83Å; P231-E236 HydrophobicContact CB-CG 4.15Å; P231-E236 HydrophobicContact CG-CB 3.97Å; P231-E236 HydrophobicContact CG-CG 4.11Å; T233-E236 WeakPolarHBondContact CB-OE2 3.12Å; T233-E236 PolarHBondContact O-N 2.55Å; T233-E236 PolarHBondContact OG1-OE2 2.94Å; E236-Q239 PolarHBondContact O-N 3.15Å; E236-G240 PolarHBondContact O-N 3.44Å |
| 237 | L | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 178.3 | -174.4 | 55 | 0 | 0 | 0 | 111.5 | N50 L51 A54 L193 L230 T233 Q239 G240 L241 | N50-L237 HydrophobicContact CB-CD2 4.01Å; L51-L237 HydrophobicContact CB-CD2 4.16Å; L51-L237 HydrophobicContact CD1-CD2 4.28Å; A54-L237 HydrophobicContact CB-CD2 4.36Å; A54-L237 HydrophobicContact CB-CG 3.87Å; L193-L237 HydrophobicContact CD2-CD1 3.45Å; L193-L237 VanDerWaalsContact CD2-CD1 3.45Å; L230-L237 HydrophobicContact CD1-CD1 4.25Å; T233-L237 WeakPolarHBondContact O-CB 3.33Å; T233-L237 PolarHBondContact O-N 3.29Å; L237-Q239 PolarHBondContact O-N 2.95Å; L237-G240 PolarHBondContact O-N 2.98Å; L237-L241 HydrophobicContact CD1-CD1 3.42Å; L237-L241 VanDerWaalsContact CD1-CD1 3.42Å; L237-L241 HydrophobicContact CG-CD1 4.03Å; L237-L241 VanDerWaalsContact O-CD1 3.27Å; L237-L241 WeakPolarHBondContact O-CD1 3.4Å; L237-L241 PolarHBondContact O-N 2.8Å |
| 238 | Y | 93.1 | Very high | 92.9 | Very high | 31 Ų | 31 | 19 Ų | 19 | 12% | 0.122 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.4 | -51.1 | 172.1 | 165.7 | -104.5 | 0 | 0 | 0 | 111 | Q57 S234 G240 L241 M242 H313 A347 | Q57-Y238 HydrophobicContact CB-CD2 3.92Å; Q57-Y238 HydrophobicContact CB-CE2 3.81Å; Q57-Y238 HydrophobicContact CG-CD2 3.96Å; Q57-Y238 HydrophobicContact CG-CE2 3.86Å; S234-Y238 VanDerWaalsContact O-CB 3.27Å; S234-Y238 WeakPolarHBondContact O-CB 3.42Å; S234-Y238 PolarHBondContact O-N 3.02Å; S234-Y238 VanDerWaalsContact O-N 3.17Å; Y238-G240 VanDerWaalsContact C-N 3.34Å; Y238-G240 PolarHBondContact O-N 3.47Å; Y238-L241 PolarHBondContact O-N 3.49Å; Y238-M242 HydrophobicContact CD1-CG 4.49Å; Y238-M242 HydrophobicContact CD2-CG 3.88Å; Y238-M242 HydrophobicContact CD2-SD 4.48Å; Y238-M242 HydrophobicContact CE1-CG 4.13Å; Y238-M242 HydrophobicContact CE2-CG 3.46Å; Y238-M242 VanDerWaalsContact CE2-CG 3.46Å; Y238-M242 HydrophobicContact CE2-SD 3.88Å; Y238-M242 HydrophobicContact CG-CG 4.38Å; Y238-M242 WeakPolarHBondContact O-CB 3.33Å; Y238-M242 VanDerWaalsContact O-CG 3.26Å; Y238-M242 WeakPolarHBondContact O-CG 3.33Å; Y238-M242 PolarHBondContact O-N 2.87Å; Y238-H313 WeakPolarHBondContact CE1-O 3.27Å; Y238-A347 PolarHBondContact OH-O 3.34Å |
| 239 | Q | 92.2 | Very high | 93 | Very high | 15 Ų | 15 | 19 Ų | 19 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.9 | -73.2 | -175.6 | -7.1 | 0 | 0 | 112.8 | Q235 E236 L237 M242 R243 H313 | Q235-Q239 WeakPolarHBondContact O-CB 3.43Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.3Å; Q235-Q239 PolarHBondContact O-N 3.03Å; E236-Q239 PolarHBondContact O-N 3.15Å; L237-Q239 PolarHBondContact O-N 2.95Å; Q239-M242 PolarHBondContact O-N 3.48Å; Q239-R243 WeakPolarHBondContact O-CG 3.37Å; Q239-R243 PolarHBondContact O-N 2.6Å; Q239-H313 WeakPolarHBondContact CG-O 3.45Å; Q239-H313 PolarHBondContact NE2-O 3.23Å; Q239-H313 VanDerWaalsContact NE2-O 3.13Å |
| 240 | G | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E236 L237 Y238 M242 R243 L244 | E236-G240 PolarHBondContact O-N 3.44Å; L237-G240 PolarHBondContact O-N 2.98Å; Y238-G240 VanDerWaalsContact C-N 3.34Å; Y238-G240 PolarHBondContact O-N 3.47Å; G240-M242 VanDerWaalsContact C-N 3.33Å; G240-M242 PolarHBondContact O-N 3.4Å; G240-R243 PolarHBondContact O-N 2.81Å; G240-L244 WeakPolarHBondContact O-CG 3.46Å; G240-L244 PolarHBondContact O-N 3.27Å |
| 241 | L | 95.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 176.6 | -88 | 78.4 | 0 | 0 | 0 | 112.3 | A54 V55 Y58 L152 L230 L237 Y238 L244 A245 | A54-L241 HydrophobicContact CB-CB 4.44Å; A54-L241 HydrophobicContact CB-CD1 4.2Å; A54-L241 HydrophobicContact CB-CD2 3.86Å; A54-L241 HydrophobicContact CB-CG 4.39Å; V55-L241 HydrophobicContact CG2-CD2 3.83Å; Y58-L241 HydrophobicContact CD2-CB 4.47Å; Y58-L241 WeakPolarHBondContact CD2-O 3.22Å; L152-L241 HydrophobicContact CD2-CD1 4.39Å; L230-L241 HydrophobicContact CD1-CD1 4.34Å; L237-L241 HydrophobicContact CD1-CD1 3.42Å; L237-L241 VanDerWaalsContact CD1-CD1 3.42Å; L237-L241 HydrophobicContact CG-CD1 4.03Å; L237-L241 VanDerWaalsContact O-CD1 3.27Å; L237-L241 WeakPolarHBondContact O-CD1 3.4Å; L237-L241 PolarHBondContact O-N 2.8Å; Y238-L241 PolarHBondContact O-N 3.49Å; L241-L244 CarbonylContact O-C 3.55Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 3.47Å; L241-A245 PolarHBondContact O-N 3.09Å |
| 242 | M | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | 175.3 | -72.9 | -44.2 | -49.4 | 0 | 0 | 112.8 | Q57 V61 Y238 Q239 G240 A245 E246 L279 S314 F316 | Q57-M242 HydrophobicContact CB-SD 4.42Å; V61-M242 HydrophobicContact CB-CE 4.01Å; V61-M242 HydrophobicContact CG1-CE 4.03Å; V61-M242 HydrophobicContact CG2-CE 3.6Å; V61-M242 HydrophobicContact CG2-SD 4.23Å; Y238-M242 HydrophobicContact CD1-CG 4.49Å; Y238-M242 HydrophobicContact CD2-CG 3.88Å; Y238-M242 HydrophobicContact CD2-SD 4.48Å; Y238-M242 HydrophobicContact CE1-CG 4.13Å; Y238-M242 HydrophobicContact CE2-CG 3.46Å; Y238-M242 VanDerWaalsContact CE2-CG 3.46Å; Y238-M242 HydrophobicContact CE2-SD 3.88Å; Y238-M242 HydrophobicContact CG-CG 4.38Å; Y238-M242 WeakPolarHBondContact O-CB 3.33Å; Y238-M242 VanDerWaalsContact O-CG 3.26Å; Y238-M242 WeakPolarHBondContact O-CG 3.33Å; Y238-M242 PolarHBondContact O-N 2.87Å; Q239-M242 PolarHBondContact O-N 3.48Å; G240-M242 VanDerWaalsContact C-N 3.33Å; G240-M242 PolarHBondContact O-N 3.4Å; M242-A245 HydrophobicContact CE-CB 4.21Å; M242-A245 WeakPolarHBondContact O-CB 3.37Å; M242-A245 PolarHBondContact O-N 3.37Å; M242-E246 PolarHBondContact O-N 3.01Å; M242-L279 HydrophobicContact CE-CD1 3.77Å; M242-S314 WeakPolarHBondContact CB-O 3.43Å; M242-F316 HydrophobicContact CB-CD2 4.46Å; M242-F316 HydrophobicContact CB-CE2 4.17Å; M242-F316 HydrophobicContact CE-CE2 3.8Å; M242-F316 HydrophobicContact CE-CZ 4.41Å; M242-F316 WeakPolarHBondContact O-CE2 3.29Å |
| 243 | R | 92.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 18.4 Ų | 18.4 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 169.6 | -74.3 | -176.5 | -171.7 | 107.3 | 12.6 | 112.4 | L206 Q239 G240 A245 E246 C247 G315 | L206-R243 WeakPolarHBondContact O-CD 3.39Å; Q239-R243 WeakPolarHBondContact O-CG 3.37Å; Q239-R243 PolarHBondContact O-N 2.6Å; G240-R243 PolarHBondContact O-N 2.81Å; R243-A245 VanDerWaalsContact C-N 3.33Å; R243-E246 WeakPolarHBondContact O-CB 3.27Å; R243-E246 PolarHBondContact O-N 2.97Å; R243-C247 PolarHBondContact O-N 3.46Å; R243-C247 PolarHBondContact O-SG 2.68Å; R243-G315 VanDerWaalsContact CG-O 3.31Å; R243-G315 WeakPolarHBondContact CG-O 3.32Å; R243-G315 VanDerWaalsContact CZ-O 3.23Å; R243-G315 PolarHBondContact NE-O 3.38Å; R243-G315 PolarHBondContact NH2-O 2.81Å |
| 244 | L | 95 | Very high | 93.9 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 168.8 | -68.9 | 179.4 | 0 | 0 | 0 | 109.5 | Y58 V150 V189 V191 P208 G240 L241 E246 C247 H248 | Y58-L244 HydrophobicContact CE2-CB 4.25Å; V150-L244 HydrophobicContact CG1-CD1 4.49Å; V189-L244 HydrophobicContact CG1-CD2 4.25Å; V191-L244 HydrophobicContact CG2-CD1 3.71Å; P208-L244 HydrophobicContact CG-CD2 3.45Å; P208-L244 VanDerWaalsContact CG-CD2 3.45Å; G240-L244 WeakPolarHBondContact O-CG 3.46Å; G240-L244 PolarHBondContact O-N 3.27Å; L241-L244 CarbonylContact O-C 3.55Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 3.47Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.41Å; L244-C247 PolarHBondContact O-N 3.49Å; L244-C247 PolarHBondContact O-SG 3.31Å; L244-H248 WeakPolarHBondContact O-CA 3.48Å; L244-H248 WeakPolarHBondContact O-CB 3.34Å; L244-H248 PolarHBondContact O-CD2 3.11Å; L244-H248 VanDerWaalsContact O-CD2 3.26Å; L244-H248 PolarHBondContact O-N 3.43Å |
| 245 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y58 L241 M242 R243 H248 Y249 | Y58-A245 HydrophobicContact CD2-CB 3.8Å; Y58-A245 HydrophobicContact CE2-CB 3.83Å; L241-A245 PolarHBondContact O-N 3.09Å; M242-A245 HydrophobicContact CE-CB 4.21Å; M242-A245 WeakPolarHBondContact O-CB 3.37Å; M242-A245 PolarHBondContact O-N 3.37Å; R243-A245 VanDerWaalsContact C-N 3.33Å; A245-H248 PolarHBondContact O-N 3.21Å; A245-Y249 PolarHBondContact O-N 2.9Å; A245-Y249 VanDerWaalsContact O-N 3.17Å |
| 246 | E | 94.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 13.5 Ų | 13.5 | 9% | 0.093 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -54.5 | -56.7 | 174.3 | -177.7 | -177.4 | -172.5 | 0 | 0 | 111.5 | M242 R243 L244 N250 L251 F316 S317 | M242-E246 PolarHBondContact O-N 3.01Å; R243-E246 WeakPolarHBondContact O-CB 3.27Å; R243-E246 PolarHBondContact O-N 2.97Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.41Å; E246-N250 WeakPolarHBondContact O-CA 3.42Å; E246-N250 PolarHBondContact O-N 3.42Å; E246-N250 VanDerWaalsContact O-N 3.14Å; E246-L251 PolarHBondContact O-N 3.3Å; E246-F316 HydrophobicContact CB-CD1 3.92Å; E246-F316 HydrophobicContact CB-CD2 4.39Å; E246-F316 HydrophobicContact CB-CE1 3.65Å; E246-F316 HydrophobicContact CB-CE2 4.14Å; E246-F316 HydrophobicContact CB-CG 4.3Å; E246-F316 HydrophobicContact CB-CZ 3.77Å; E246-F316 HydrophobicContact CG-CD1 3.64Å; E246-F316 HydrophobicContact CG-CE1 3.68Å; E246-F316 HydrophobicContact CG-CG 4.28Å; E246-F316 HydrophobicContact CG-CZ 4.32Å; E246-F316 VanDerWaalsContact OE2-CA 3.31Å; E246-F316 WeakPolarHBondContact OE2-CA 3.24Å; E246-S317 WeakPolarHBondContact OE1-CB 3.3Å; E246-S317 PolarHBondContact OE1-N 3.12Å; E246-S317 PolarHBondContact OE1-OG 3.35Å; E246-S317 PolarHBondContact OE2-N 3.37Å |
| 247 | C | 92.9 | Very high | 94.2 | Very high | 25 Ų | 25 | 12.2 Ų | 12.2 | 17% | 0.169 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -75.5 | -27.4 | -178.4 | 69.3 | 0 | 0 | 0 | 0 | 113 | A3 R243 L244 | A3-C247 WeakPolarHBondContact CA-O 3.42Å; A3-C247 WeakPolarHBondContact CB-O 3.33Å; R243-C247 PolarHBondContact O-N 3.46Å; R243-C247 PolarHBondContact O-SG 2.68Å; L244-C247 PolarHBondContact O-N 3.49Å; L244-C247 PolarHBondContact O-SG 3.31Å |
| 248 | H | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -74.3 | -29.5 | -176.6 | -79.9 | -175.6 | 0 | 0 | 0 | 113.5 | M1 A3 N7 Y58 R148 L244 A245 | M1-H248 VanDerWaalsContact CE-CD2 3.48Å; M1-H248 WeakPolarHBondContact CE-CD2 3.49Å; M1-H248 WeakPolarHBondContact CE-NE2 3.48Å; A3-H248 CarbonylContact O-C 3.51Å; N7-H248 WeakPolarHBondContact CB-O 3.39Å; Y58-H248 AromaticContact CE2-ND1 3.76Å; Y58-H248 AromaticContact CZ-ND1 3.7Å; Y58-H248 PolarHBondContact OH-ND1 3.26Å; R148-H248 VanDerWaalsContact CD-CE1 3.43Å; R148-H248 WeakPolarHBondContact CD-CE1 3.36Å; R148-H248 PolarHBondContact NE-CD2 3.13Å; R148-H248 PolarHBondContact NH1-O 2.77Å; L244-H248 WeakPolarHBondContact O-CA 3.48Å; L244-H248 WeakPolarHBondContact O-CB 3.34Å; L244-H248 PolarHBondContact O-CD2 3.11Å; L244-H248 VanDerWaalsContact O-CD2 3.26Å; L244-H248 PolarHBondContact O-N 3.43Å; A245-H248 PolarHBondContact O-N 3.21Å |
| 249 | Y | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 16.1 | -174.3 | -58.4 | -80.5 | 0 | 0 | 0 | 113.5 | N7 T10 Y58 V62 F66 K70 A245 L251 | N7-Y249 HydrophobicContact CB-CD1 3.79Å; N7-Y249 HydrophobicContact CB-CE1 4.01Å; T10-Y249 PolarHBondContact OG1-OH 3.5Å; T10-Y249 VanDerWaalsContact OG1-OH 3.11Å; Y58-Y249 HydrophobicContact CE1-CE2 4.07Å; Y58-Y249 HydrophobicContact CE2-CE2 4.45Å; Y58-Y249 AromaticContact CZ-CE2 3.67Å; Y58-Y249 WeakPolarHBondContact OH-CE2 3.41Å; Y58-Y249 PolarHBondContact OH-OH 3.04Å; V62-Y249 HydrophobicContact CB-CE2 4.36Å; V62-Y249 HydrophobicContact CG1-CE1 4.07Å; V62-Y249 HydrophobicContact CG1-CE2 4.25Å; V62-Y249 HydrophobicContact CG2-CD2 3.66Å; V62-Y249 HydrophobicContact CG2-CE1 4.43Å; V62-Y249 HydrophobicContact CG2-CE2 3.17Å; V62-Y249 HydrophobicContact CG2-CG 4.44Å; F66-Y249 HydrophobicContact CD2-CD1 4.41Å; F66-Y249 HydrophobicContact CE2-CD1 4.02Å; F66-Y249 AromaticContact CE2-CG 3.9Å; F66-Y249 HydrophobicContact CE2-CG 3.9Å; F66-Y249 HydrophobicContact CZ-CD1 4.5Å; F66-Y249 HydrophobicContact CZ-CG 4.46Å; K70-Y249 HydrophobicContact CB-CD1 4.31Å; K70-Y249 HydrophobicContact CB-CE1 3.9Å; K70-Y249 HydrophobicContact CD-CD1 4.5Å; K70-Y249 HydrophobicContact CG-CD1 4.3Å; K70-Y249 HydrophobicContact CG-CE1 4.35Å; A245-Y249 PolarHBondContact O-N 2.9Å; A245-Y249 VanDerWaalsContact O-N 3.17Å; Y249-L251 PolarHBondContact O-N 3.45Å |
| 250 | N | 95.5 | Very high | 93 | Very high | 44 Ų | 44 | 15.9 Ų | 15.9 | 24% | 0.235 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 55.1 | 179.1 | -160.4 | 13.8 | 0 | 0 | 0 | 111.5 | A3 D4 E246 A282 | A3-N250 HydrophobicContact CB-CB 3.59Å; D4-N250 PolarHBondContact OD2-ND2 3.19Å; E246-N250 WeakPolarHBondContact O-CA 3.42Å; E246-N250 PolarHBondContact O-N 3.42Å; E246-N250 VanDerWaalsContact O-N 3.14Å; N250-A282 WeakPolarHBondContact O-CB 3.31Å; N250-A282 PolarHBondContact O-N 3.44Å; N250-A282 WeakPolarHBondContact OD1-CB 3.36Å |
| 251 | L | 96.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 165.2 | -178.7 | -54.8 | 179.7 | 0 | 0 | 0 | 111.2 | V61 I65 F66 E246 Y249 H280 R281 F316 | V61-L251 HydrophobicContact CG1-CD1 3.81Å; I65-L251 HydrophobicContact CD1-CD1 3.77Å; I65-L251 HydrophobicContact CD1-CD2 3.72Å; I65-L251 HydrophobicContact CD1-CG 4.34Å; I65-L251 HydrophobicContact CG2-CD2 4.13Å; F66-L251 HydrophobicContact CE2-CD2 3.85Å; F66-L251 HydrophobicContact CZ-CD2 3.8Å; E246-L251 PolarHBondContact O-N 3.3Å; Y249-L251 PolarHBondContact O-N 3.45Å; L251-H280 CarbonylContact C-O 3.5Å; L251-H280 WeakPolarHBondContact CA-O 3.28Å; L251-R281 HydrophobicContact CD2-CG 4.49Å; L251-F316 HydrophobicContact CB-CE1 3.76Å; L251-F316 HydrophobicContact CB-CZ 4.05Å; L251-F316 HydrophobicContact CD1-CZ 4.43Å |
| 252 | S | 95.5 | Very high | 90.3 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.8 | 177.9 | -74.3 | 0 | 0 | 0 | 0 | 111 | L279 H280 A282 | S252-L279 WeakPolarHBondContact O-CA 3.48Å; S252-H280 PolarHBondContact N-O 3.06Å; S252-H280 PolarHBondContact O-N 3.49Å; S252-A282 VanDerWaalsContact OG-CA 3.31Å; S252-A282 WeakPolarHBondContact OG-CA 3.21Å; S252-A282 VanDerWaalsContact OG-CB 3.24Å; S252-A282 WeakPolarHBondContact OG-CB 3.46Å |
| 253 | S | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.8 | -177.2 | 168 | 0 | 0 | 0 | 0 | 111 | E277 I278 H285 T319 L320 | S253-E277 WeakPolarHBondContact CB-OE1 3.4Å; S253-E277 VanDerWaalsContact OG-CD 3.3Å; S253-E277 VanDerWaalsContact OG-CG 3.23Å; S253-E277 WeakPolarHBondContact OG-CG 3.49Å; S253-E277 PolarHBondContact OG-OE1 3.32Å; S253-I278 WeakPolarHBondContact CA-O 3.43Å; S253-H285 PolarHBondContact O-CE1 2.82Å; S253-H285 PolarHBondContact O-NE2 3.32Å; S253-T319 WeakPolarHBondContact O-CA 3.34Å; S253-T319 WeakPolarHBondContact OG-CG2 3.18Å; S253-T319 PolarHBondContact OG-OG1 3.14Å; S253-T319 VanDerWaalsContact OG-OG1 3.14Å; S253-L320 PolarHBondContact O-N 3.43Å |
| 254 | T | 95.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.9 | 172.1 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | I278 H280 H285 L320 I322 | T254-I278 HydrophobicContact CG2-CD1 4.38Å; T254-I278 HydrophobicContact CG2-CG1 4.34Å; T254-I278 PolarHBondContact N-O 2.8Å; T254-I278 WeakPolarHBondContact O-CG1 2.96Å; T254-I278 PolarHBondContact O-N 3.4Å; T254-H280 WeakPolarHBondContact CB-NE2 3.43Å; T254-H280 PolarHBondContact OG1-NE2 3.19Å; T254-H285 PolarHBondContact OG1-NE2 2.66Å; T254-L320 CarbonylContact C-O 3.57Å; T254-L320 VanDerWaalsContact CA-O 3.28Å; T254-L320 WeakPolarHBondContact CA-O 3.5Å; T254-I322 HydrophobicContact CG2-CG2 3.59Å |
| 255 | L | 93.2 | Very high | 84.7 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.4 | 174.6 | -172.3 | 71.2 | 0 | 0 | 0 | 109.4 | Q257 E277 T319 L320 G321 I322 | L255-Q257 HydrophobicContact CD2-CG 4.07Å; L255-Q257 HydrophobicContact CG-CG 4.1Å; L255-Q257 PolarHBondContact O-N 3.14Å; L255-E277 HydrophobicContact CD1-CB 4.28Å; L255-T319 HydrophobicContact CB-CG2 3.69Å; L255-L320 PolarHBondContact N-O 3.31Å; L255-G321 WeakPolarHBondContact O-CA 3.44Å; L255-I322 PolarHBondContact O-N 2.97Å |
| 256 | V | 93 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 111.6 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I259 G275 V276 I278 I322 W324 L369 | V256-I259 HydrophobicContact CB-CD1 4.29Å; V256-I259 HydrophobicContact CG1-CD1 3.97Å; V256-I259 HydrophobicContact CG1-CG1 3.95Å; V256-G275 CarbonylContact O-C 3.49Å; V256-G275 VanDerWaalsContact O-CA 3.26Å; V256-G275 WeakPolarHBondContact O-CA 3.34Å; V256-V276 PolarHBondContact N-O 3.42Å; V256-V276 PolarHBondContact O-N 3.38Å; V256-I278 HydrophobicContact CG2-CD1 4Å; V256-I278 HydrophobicContact CG2-CG1 4.21Å; V256-I322 WeakPolarHBondContact CA-O 3.31Å; V256-W324 HydrophobicContact CG1-CE3 4.35Å; V256-L369 HydrophobicContact CG1-CD2 3.73Å; V256-L369 HydrophobicContact CG2-CD1 4.25Å; V256-L369 HydrophobicContact CG2-CD2 4.31Å |
| 257 | Q | 89 | Confident | 80.3 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 167.5 | -174.5 | -63 | 179.5 | -38.6 | 0 | 0 | 112.3 | L255 I259 I322 K323 W324 | L255-Q257 HydrophobicContact CD2-CG 4.07Å; L255-Q257 HydrophobicContact CG-CG 4.1Å; L255-Q257 PolarHBondContact O-N 3.14Å; Q257-I259 VanDerWaalsContact C-N 3.31Å; Q257-I259 PolarHBondContact O-N 3.4Å; Q257-I322 PolarHBondContact N-O 3.32Å; Q257-K323 HydrophobicContact CB-CG 4.36Å; Q257-W324 WeakPolarHBondContact O-CB 3.4Å; Q257-W324 PolarHBondContact O-N 2.79Å |
| 258 | D | 86.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | trans | 59 | 35.1 | 172.3 | -57.1 | -1.3 | 0 | 0 | 0 | 113.7 | P260 M273 K323 | D258-P260 WeakPolarHBondContact O-CD 3.44Å; D258-M273 HydrophobicContact CB-SD 3.84Å; D258-M273 WeakPolarHBondContact OD1-CE 3.36Å; D258-M273 VanDerWaalsContact OD1-SD 3.37Å; D258-K323 IonicContact OD1-NZ 3.4Å; D258-K323 VanDerWaalsContact OD2-CD 3.27Å; D258-K323 WeakPolarHBondContact OD2-CD 3.35Å; D258-K323 WeakPolarHBondContact OD2-CE 3.23Å; D258-K323 IonicContact OD2-NZ 3.07Å; D258-K323 PolarHBondContact OD2-NZ 3Å | ||
| 259 | I | 87.1 | Confident | 75.4 | Confident | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | trans | -73.8 | 121.6 | -178.8 | -55 | 171.6 | 0 | 0 | 0 | 109.9 | V256 Q257 M261 Y274 V276 W324 L357 | V256-I259 HydrophobicContact CB-CD1 4.29Å; V256-I259 HydrophobicContact CG1-CD1 3.97Å; V256-I259 HydrophobicContact CG1-CG1 3.95Å; Q257-I259 VanDerWaalsContact C-N 3.31Å; Q257-I259 PolarHBondContact O-N 3.4Å; I259-M261 PolarHBondContact O-N 3.34Å; I259-Y274 HydrophobicContact CB-CD2 4.45Å; I259-Y274 HydrophobicContact CB-CE2 3.66Å; I259-Y274 HydrophobicContact CD1-CD2 4.24Å; I259-Y274 HydrophobicContact CD1-CE2 3.8Å; I259-Y274 HydrophobicContact CG1-CE2 4.27Å; I259-Y274 HydrophobicContact CG2-CE2 3.9Å; I259-Y274 VanDerWaalsContact CG2-OH 3.25Å; I259-Y274 WeakPolarHBondContact CG2-OH 3.1Å; I259-V276 HydrophobicContact CD1-CB 3.94Å; I259-V276 HydrophobicContact CD1-CG2 3.59Å; I259-W324 HydrophobicContact CB-CE3 4.46Å; I259-W324 HydrophobicContact CG1-CB 4.49Å; I259-W324 HydrophobicContact CG1-CE3 4.03Å; I259-W324 HydrophobicContact CG2-CE3 4.05Å; I259-W324 HydrophobicContact CG2-CZ3 4.18Å; I259-L357 HydrophobicContact CD1-CD2 4.48Å | ||
| 260 | P | 80.8 | Confident | 72.7 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | trans | -80.5 | 113 | -179.5 | 30.4 | -32.3 | 0 | 0 | 0 | 111.4 | D258 | D258-P260 WeakPolarHBondContact O-CD 3.44Š| ||
| 261 | M | 67.8 | Low | 69.9 | Low | 36 Ų | 36 | 63.9 Ų | 63.9 | 18% | 0.177 | 37% | 0.374 | C | S | . | . | trans | -108.3 | 135 | 169.3 | -107.4 | 175.2 | 77.6 | 0 | 0 | 111.8 | I259 E263 Y274 C356 | I259-M261 PolarHBondContact O-N 3.34Å; M261-E263 VanDerWaalsContact C-N 3.26Å; M261-E263 PolarHBondContact O-N 2.99Å; M261-Y274 HydrophobicContact CB-CE1 3.88Å; M261-Y274 WeakPolarHBondContact CB-OH 3.24Å; M261-Y274 HydrophobicContact CG-CE1 4.08Å; M261-Y274 WeakPolarHBondContact CG-OH 3.19Å; M261-Y274 HydrophobicContact SD-CE1 3.57Å; M261-Y274 VanDerWaalsContact SD-CE1 3.57Å; M261-Y274 HydrophobicContact SD-CE2 4.39Å; M261-Y274 PolarHBondContact SD-OH 2.99Å; M261-C356 HydrophobicContact SD-CB 3.92Å | ||
| 262 | K | 63.5 | Low | 67.2 | Low | 194 Ų | 194 | 67.8 Ų | 67.8 | 84% | 0.843 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.4 | -176.4 | -83.8 | -172.7 | 173.7 | -175.2 | 0 | 114.4 | ||
| 263 | E | 60.3 | Low | 65.2 | Low | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -28.7 | -167.4 | -66.5 | -178.9 | -136.9 | 0 | 0 | 113.7 | M261 A265 N266 R352 | M261-E263 VanDerWaalsContact C-N 3.26Å; M261-E263 PolarHBondContact O-N 2.99Å; E263-A265 VanDerWaalsContact C-N 3.3Å; E263-A265 PolarHBondContact O-N 3.39Å; E263-N266 PolarHBondContact O-N 3.3Å; E263-R352 IonicContact OE1-NH2 2.76Å; E263-R352 PolarHBondContact OE1-NH2 3.38Å; E263-R352 IonicContact OE2-CZ 3.81Å; E263-R352 IonicContact OE2-NH2 3.74Å; E263-R352 PolarHBondContact OE2-NH2 2.84Å |
| 264 | E | 53.8 | Low | 63.9 | Low | 60 Ų | 60 | 74 Ų | 74 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -77.4 | -16.6 | 178.3 | -66.2 | -170.8 | -177.8 | 0 | 0 | 113.1 | N266 V267 | E264-N266 PolarHBondContact O-N 3.35Å; E264-V267 PolarHBondContact O-N 3.21Å |
| 265 | A | 51 | Low | 63.4 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -66.5 | -15.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E263 | E263-A265 VanDerWaalsContact C-N 3.3Å; E263-A265 PolarHBondContact O-N 3.39Å |
| 266 | N | 51.1 | Low | 63.3 | Low | 141 Ų | 141 | 74.5 Ų | 74.5 | 75% | 0.754 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -102.7 | 0.8 | -177.1 | -73 | -11.3 | 0 | 0 | 0 | 114.1 | E263 E264 | E263-N266 PolarHBondContact O-N 3.3Å; E264-N266 PolarHBondContact O-N 3.35Å |
| 267 | V | 46.5 | Very low | 63.3 | Low | 86 Ų | 86 | 75.3 Ų | 75.3 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -107.5 | 116.2 | 175.1 | -166.2 | 0 | 0 | 0 | 0 | 107.1 | E264 S269 | E264-V267 PolarHBondContact O-N 3.21Å; V267-S269 PolarHBondContact O-N 2.85Å |
| 268 | N | 46.7 | Very low | 63.7 | Low | 171 Ų | 171 | 73 Ų | 73 | 91% | 0.914 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -65.1 | 16.9 | 177.9 | -73.8 | 10.2 | 0 | 0 | 0 | 114.1 | ||
| 269 | S | 39.2 | Very low | 64.3 | Low | 92 Ų | 92 | 71.6 Ų | 71.6 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -102.3 | 108.7 | 170.7 | -54.7 | 0 | 0 | 0 | 0 | 105.8 | V267 S271 | V267-S269 PolarHBondContact O-N 2.85Å; S269-S271 PolarHBondContact O-N 3.3Å |
| 270 | G | 39.4 | Very low | 64.8 | Low | 71 Ų | 71 | 71 Ų | 71 | 73% | 0.732 | 42% | 0.422 | S | S | * | . | trans | -35 | 127.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S272 | G270-S272 VanDerWaalsContact C-N 3.34Å; G270-S272 PolarHBondContact O-N 3.13Å | ||
| 271 | S | 36 | Very low | 65.6 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | trans | -52.9 | 94.1 | 175.7 | 59.5 | 0 | 0 | 0 | 0 | 110 | S269 M273 | S269-S271 PolarHBondContact O-N 3.3Å; S271-M273 PolarHBondContact O-N 2.85Å | ||
| 272 | S | 41.1 | Very low | 66.9 | Low | 86 Ų | 86 | 69.8 Ų | 69.8 | 60% | 0.601 | 41% | 0.407 | S | S | * | . | trans | -73.2 | 98.6 | 171.2 | 55.2 | 0 | 0 | 0 | 0 | 106.1 | G270 Y274 | G270-S272 VanDerWaalsContact C-N 3.34Å; G270-S272 PolarHBondContact O-N 3.13Å; S272-Y274 PolarHBondContact O-N 3.22Å | ||
| 273 | M | 52.3 | Low | 68.5 | Low | 117 Ų | 117 | 62.3 Ų | 62.3 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | trans | -52.1 | 106.8 | 172.4 | -65.3 | -175.4 | -55.6 | 0 | 0 | 108.2 | D258 S271 | D258-M273 HydrophobicContact CB-SD 3.84Å; D258-M273 WeakPolarHBondContact OD1-CE 3.36Å; D258-M273 VanDerWaalsContact OD1-SD 3.37Å; S271-M273 PolarHBondContact O-N 2.85Å | ||
| 274 | Y | 69 | Low | 70.2 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 143.8 | 179.3 | 54.7 | -97.1 | 0 | 0 | 0 | 108.9 | I259 M261 S272 V276 A353 | I259-Y274 HydrophobicContact CB-CD2 4.45Å; I259-Y274 HydrophobicContact CB-CE2 3.66Å; I259-Y274 HydrophobicContact CD1-CD2 4.24Å; I259-Y274 HydrophobicContact CD1-CE2 3.8Å; I259-Y274 HydrophobicContact CG1-CE2 4.27Å; I259-Y274 HydrophobicContact CG2-CE2 3.9Å; I259-Y274 VanDerWaalsContact CG2-OH 3.25Å; I259-Y274 WeakPolarHBondContact CG2-OH 3.1Å; M261-Y274 HydrophobicContact CB-CE1 3.88Å; M261-Y274 WeakPolarHBondContact CB-OH 3.24Å; M261-Y274 HydrophobicContact CG-CE1 4.08Å; M261-Y274 WeakPolarHBondContact CG-OH 3.19Å; M261-Y274 HydrophobicContact SD-CE1 3.57Å; M261-Y274 VanDerWaalsContact SD-CE1 3.57Å; M261-Y274 HydrophobicContact SD-CE2 4.39Å; M261-Y274 PolarHBondContact SD-OH 2.99Å; S272-Y274 PolarHBondContact O-N 3.22Å; Y274-V276 HydrophobicContact CD2-CG2 4.13Å; Y274-V276 HydrophobicContact CE2-CG2 4.25Å; Y274-A353 HydrophobicContact CD1-CB 4.46Å; Y274-A353 HydrophobicContact CD2-CB 3.19Å; Y274-A353 HydrophobicContact CE2-CB 3.45Å; Y274-A353 VanDerWaalsContact CE2-CB 3.45Å; Y274-A353 HydrophobicContact CG-CB 3.76Å |
| 275 | G | 83.9 | Confident | 72.1 | Confident | 35 Ų | 35 | 54 Ų | 54 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 137 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V256 | V256-G275 CarbonylContact O-C 3.49Å; V256-G275 VanDerWaalsContact O-CA 3.26Å; V256-G275 WeakPolarHBondContact O-CA 3.34Å |
| 276 | V | 91.7 | Very high | 74.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121 | 170.1 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | V256 I259 Y274 I278 L346 A353 L357 | V256-V276 PolarHBondContact N-O 3.42Å; V256-V276 PolarHBondContact O-N 3.38Å; I259-V276 HydrophobicContact CD1-CB 3.94Å; I259-V276 HydrophobicContact CD1-CG2 3.59Å; Y274-V276 HydrophobicContact CD2-CG2 4.13Å; Y274-V276 HydrophobicContact CE2-CG2 4.25Å; V276-I278 HydrophobicContact CG1-CG2 4.45Å; V276-L346 HydrophobicContact CG1-CD2 3.59Å; V276-A353 HydrophobicContact CG2-CB 3.71Å; V276-L357 HydrophobicContact CB-CD2 3.76Å; V276-L357 HydrophobicContact CG1-CB 4.5Å; V276-L357 HydrophobicContact CG1-CD2 3.56Å; V276-L357 HydrophobicContact CG2-CB 4.34Å; V276-L357 HydrophobicContact CG2-CD2 4.29Å |
| 277 | E | 93.5 | Very high | 76.2 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.7 | 176.6 | -174.6 | -179.8 | -169.9 | 0 | 0 | 110.2 | S253 L255 L279 P312 S314 A347 | S253-E277 WeakPolarHBondContact CB-OE1 3.4Å; S253-E277 VanDerWaalsContact OG-CD 3.3Å; S253-E277 VanDerWaalsContact OG-CG 3.23Å; S253-E277 WeakPolarHBondContact OG-CG 3.49Å; S253-E277 PolarHBondContact OG-OE1 3.32Å; L255-E277 HydrophobicContact CD1-CB 4.28Å; E277-L279 HydrophobicContact CG-CD2 4.33Å; E277-P312 WeakPolarHBondContact OE2-CB 3.09Å; E277-S314 VanDerWaalsContact CD-OG 3.25Å; E277-S314 WeakPolarHBondContact OE1-CB 3.32Å; E277-S314 PolarHBondContact OE1-OG 3.09Å; E277-S314 PolarHBondContact OE2-N 3.32Å; E277-S314 PolarHBondContact OE2-OG 2.9Å; E277-A347 HydrophobicContact CB-CB 3.88Å; E277-A347 HydrophobicContact CG-CB 3.75Å; E277-A347 PolarHBondContact O-N 3.09Å |
| 278 | I | 96.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142 | 174.3 | 57.9 | 165 | 0 | 0 | 0 | 110.1 | S253 T254 V256 V276 V344 T345 L346 L357 L398 I407 | S253-I278 WeakPolarHBondContact CA-O 3.43Å; T254-I278 HydrophobicContact CG2-CD1 4.38Å; T254-I278 HydrophobicContact CG2-CG1 4.34Å; T254-I278 PolarHBondContact N-O 2.8Å; T254-I278 WeakPolarHBondContact O-CG1 2.96Å; T254-I278 PolarHBondContact O-N 3.4Å; V256-I278 HydrophobicContact CG2-CD1 4Å; V256-I278 HydrophobicContact CG2-CG1 4.21Å; V276-I278 HydrophobicContact CG1-CG2 4.45Å; I278-V344 HydrophobicContact CB-CG1 3.56Å; I278-V344 HydrophobicContact CD1-CG1 4Å; I278-V344 HydrophobicContact CG1-CG1 4.29Å; I278-V344 HydrophobicContact CG2-CG1 3.91Å; I278-T345 CarbonylContact C-O 3.55Å; I278-T345 WeakPolarHBondContact CA-O 3.38Å; I278-L346 HydrophobicContact CG2-CD2 3.98Å; I278-L357 HydrophobicContact CG2-CD2 4.39Å; I278-L398 HydrophobicContact CD1-CD1 4.5Å; I278-I407 HydrophobicContact CD1-CD1 3.98Å |
| 279 | L | 97.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.3 | 178.8 | -50.4 | 179.6 | 0 | 0 | 0 | 109.2 | V61 I65 M242 S252 E277 F316 V344 T345 A347 | V61-L279 HydrophobicContact CG1-CD1 4.08Å; V61-L279 HydrophobicContact CG2-CD1 4.07Å; I65-L279 HydrophobicContact CD1-CB 4.39Å; M242-L279 HydrophobicContact CE-CD1 3.77Å; S252-L279 WeakPolarHBondContact O-CA 3.48Å; E277-L279 HydrophobicContact CG-CD2 4.33Å; L279-F316 HydrophobicContact CD1-CE2 3.88Å; L279-F316 HydrophobicContact CD1-CZ 3.92Å; L279-F316 HydrophobicContact CD2-CD1 4.11Å; L279-F316 HydrophobicContact CD2-CD2 4.12Å; L279-F316 HydrophobicContact CD2-CE1 3.91Å; L279-F316 HydrophobicContact CD2-CE2 3.93Å; L279-F316 HydrophobicContact CD2-CG 4.21Å; L279-F316 HydrophobicContact CD2-CZ 3.82Å; L279-F316 HydrophobicContact CG-CZ 4.33Å; L279-V344 WeakPolarHBondContact O-CA 3.03Å; L279-T345 HydrophobicContact CB-CG2 3.92Å; L279-T345 HydrophobicContact CD1-CG2 4.46Å; L279-T345 PolarHBondContact N-O 2.99Å; L279-T345 PolarHBondContact O-N 2.97Å; L279-A347 HydrophobicContact CD1-CB 4.26Å; L279-A347 HydrophobicContact CD2-CB 4.28Å; L279-A347 HydrophobicContact CG-CB 4.14Å |
| 280 | H | 97.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 177.1 | 179.5 | 56.5 | 70.6 | 0 | 0 | 0 | 110.1 | L251 S252 T254 H285 V344 I407 | L251-H280 CarbonylContact C-O 3.5Å; L251-H280 WeakPolarHBondContact CA-O 3.28Å; S252-H280 PolarHBondContact N-O 3.06Å; S252-H280 PolarHBondContact O-N 3.49Å; T254-H280 WeakPolarHBondContact CB-NE2 3.43Å; T254-H280 PolarHBondContact OG1-NE2 3.19Å; H280-H285 AromaticContact CE1-CD2 3.5Å; H280-H285 AromaticContact CE1-NE2 3.53Å; H280-H285 AromaticContact NE2-NE2 3.74Å; H280-V344 HydrophobicContact CB-CG2 4.16Å; H280-I407 HydrophobicContact CB-CG2 4.1Å |
| 281 | R | 97.4 | Very high | 84.6 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 32% | 0.321 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 136.2 | 173.2 | -87.8 | -170.3 | 76.4 | 169.9 | 15.4 | 112.9 | I65 F66 L251 E283 V284 Y342 | I65-R281 HydrophobicContact CG2-CG 4.09Å; F66-R281 HydrophobicContact CE1-CG 4.01Å; F66-R281 HydrophobicContact CZ-CG 4.08Å; L251-R281 HydrophobicContact CD2-CG 4.49Å; R281-E283 WeakPolarHBondContact CB-OE2 3.45Å; R281-E283 IonicContact CZ-OE1 2.73Å; R281-E283 IonicContact NE-OE1 2.79Å; R281-E283 PolarHBondContact NE-OE1 2.79Å; R281-E283 IonicContact NE-OE2 3.46Å; R281-E283 PolarHBondContact NE-OE2 3.24Å; R281-E283 IonicContact NH2-OE1 2.97Å; R281-E283 PolarHBondContact NH2-OE1 3.45Å; R281-E283 PolarHBondContact O-N 3Å; R281-V284 PolarHBondContact O-N 3.16Å; R281-Y342 HydrophobicContact CB-CD1 3.8Å; R281-Y342 HydrophobicContact CB-CE1 4.37Å; R281-Y342 HydrophobicContact CB-CG 4.21Å; R281-Y342 HydrophobicContact CG-CD1 4.4Å |
| 282 | A | 96.3 | Very high | 87 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -19.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N250 S252 V284 H285 D286 | N250-A282 WeakPolarHBondContact O-CB 3.31Å; N250-A282 PolarHBondContact O-N 3.44Å; N250-A282 WeakPolarHBondContact OD1-CB 3.36Å; S252-A282 VanDerWaalsContact OG-CA 3.31Å; S252-A282 WeakPolarHBondContact OG-CA 3.21Å; S252-A282 VanDerWaalsContact OG-CB 3.24Å; S252-A282 WeakPolarHBondContact OG-CB 3.46Å; A282-V284 PolarHBondContact O-N 3.26Å; A282-H285 WeakPolarHBondContact O-CA 3.46Å; A282-H285 WeakPolarHBondContact O-CB 3.2Å; A282-H285 PolarHBondContact O-N 3.14Å; A282-D286 PolarHBondContact O-N 3.34Å |
| 283 | E | 95.9 | Very high | 89.1 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -26.7 | 178.8 | -65.3 | 92 | 142.5 | 0 | 0 | 112.6 | R281 H285 D286 M287 Y342 | R281-E283 WeakPolarHBondContact CB-OE2 3.45Å; R281-E283 IonicContact CZ-OE1 2.73Å; R281-E283 IonicContact NE-OE1 2.79Å; R281-E283 PolarHBondContact NE-OE1 2.79Å; R281-E283 IonicContact NE-OE2 3.46Å; R281-E283 PolarHBondContact NE-OE2 3.24Å; R281-E283 IonicContact NH2-OE1 2.97Å; R281-E283 PolarHBondContact NH2-OE1 3.45Å; R281-E283 PolarHBondContact O-N 3Å; E283-H285 VanDerWaalsContact C-N 3.34Å; E283-D286 PolarHBondContact O-N 3.1Å; E283-M287 WeakPolarHBondContact O-CB 3.5Å; E283-M287 WeakPolarHBondContact O-CG 3.1Å; E283-M287 PolarHBondContact O-N 3.06Å; E283-Y342 HydrophobicContact CB-CE1 4.11Å; E283-Y342 HydrophobicContact CB-CE2 4.31Å; E283-Y342 VanDerWaalsContact CB-OH 3.3Å; E283-Y342 WeakPolarHBondContact CB-OH 3.34Å |
| 284 | V | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 169.3 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | R281 A282 M287 L288 Y342 L396 I407 V409 | R281-V284 PolarHBondContact O-N 3.16Å; A282-V284 PolarHBondContact O-N 3.26Å; V284-M287 PolarHBondContact O-N 3.37Å; V284-L288 HydrophobicContact CG1-CD1 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.77Å; V284-L288 VanDerWaalsContact O-N 3.14Å; V284-Y342 HydrophobicContact CG2-CD2 3.29Å; V284-Y342 HydrophobicContact CG2-CE2 3.82Å; V284-Y342 HydrophobicContact CG2-CG 3.99Å; V284-L396 HydrophobicContact CG1-CD1 4.34Å; V284-L396 HydrophobicContact CG1-CD2 3.87Å; V284-I407 HydrophobicContact CG1-CD1 4.35Å; V284-I407 HydrophobicContact CG2-CG2 3.8Å; V284-V409 HydrophobicContact CB-CG2 4.42Å; V284-V409 HydrophobicContact CG1-CG2 4.14Å; V284-V409 HydrophobicContact CG2-CG2 4.22Å |
| 285 | H | 95.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 179.7 | -77.8 | -159.9 | 0 | 0 | 0 | 111.9 | S253 T254 H280 A282 E283 M287 L288 K289 Y294 L320 | S253-H285 PolarHBondContact O-CE1 2.82Å; S253-H285 PolarHBondContact O-NE2 3.32Å; T254-H285 PolarHBondContact OG1-NE2 2.66Å; H280-H285 AromaticContact CE1-CD2 3.5Å; H280-H285 AromaticContact CE1-NE2 3.53Å; H280-H285 AromaticContact NE2-NE2 3.74Å; A282-H285 WeakPolarHBondContact O-CA 3.46Å; A282-H285 WeakPolarHBondContact O-CB 3.2Å; A282-H285 PolarHBondContact O-N 3.14Å; E283-H285 VanDerWaalsContact C-N 3.34Å; H285-M287 VanDerWaalsContact C-N 3.3Å; H285-M287 PolarHBondContact O-N 3.44Å; H285-L288 CarbonylContact O-C 3.55Å; H285-L288 WeakPolarHBondContact O-CB 3.26Å; H285-L288 PolarHBondContact O-N 3.3Å; H285-L288 VanDerWaalsContact O-N 3.16Å; H285-K289 WeakPolarHBondContact O-CB 3.43Å; H285-K289 PolarHBondContact O-N 3.03Å; H285-Y294 HydrophobicContact CB-CD2 4.08Å; H285-Y294 HydrophobicContact CB-CE2 3.82Å; H285-Y294 AromaticContact ND1-CE2 3.71Å; H285-L320 HydrophobicContact CB-CD1 4.38Å; H285-L320 WeakPolarHBondContact CE1-CG 3.48Å |
| 286 | D | 94 | Very high | 91.8 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 174.7 | -67.8 | -31 | 0 | 0 | 0 | 111.8 | A282 E283 K289 C290 | A282-D286 PolarHBondContact O-N 3.34Å; E283-D286 PolarHBondContact O-N 3.1Å; D286-K289 WeakPolarHBondContact O-CB 3.29Å; D286-K289 PolarHBondContact O-N 3.19Å; D286-C290 WeakPolarHBondContact O-CB 3.42Å; D286-C290 PolarHBondContact O-N 3.04Å; D286-C290 PolarHBondContact O-SG 2.96Å |
| 287 | M | 92.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.5 | -72.9 | 179.3 | 85.2 | 0 | 0 | 112 | E283 V284 H285 R291 V339 A340 V409 F414 | E283-M287 WeakPolarHBondContact O-CB 3.5Å; E283-M287 WeakPolarHBondContact O-CG 3.1Å; E283-M287 PolarHBondContact O-N 3.06Å; V284-M287 PolarHBondContact O-N 3.37Å; H285-M287 VanDerWaalsContact C-N 3.3Å; H285-M287 PolarHBondContact O-N 3.44Å; M287-R291 PolarHBondContact O-N 2.89Å; M287-V339 HydrophobicContact CE-CB 4.14Å; M287-V339 HydrophobicContact CE-CG2 3.35Å; M287-A340 HydrophobicContact CE-CB 3.86Å; M287-A340 HydrophobicContact SD-CB 3.63Å; M287-V409 HydrophobicContact CB-CG1 4.17Å; M287-V409 HydrophobicContact CE-CB 4.19Å; M287-V409 HydrophobicContact CE-CG1 3.87Å; M287-V409 HydrophobicContact SD-CB 4.18Å; M287-V409 HydrophobicContact SD-CG1 4.1Å; M287-V409 HydrophobicContact SD-CG2 3.97Å; M287-F414 HydrophobicContact CB-CE2 4.28Å; M287-F414 HydrophobicContact CB-CZ 3.84Å; M287-F414 HydrophobicContact CE-CE2 3.71Å; M287-F414 HydrophobicContact CE-CZ 3.73Å; M287-F414 HydrophobicContact CG-CZ 4.23Å |
| 288 | L | 91.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 173.2 | -62.7 | 174 | 0 | 0 | 0 | 111.8 | V284 H285 R291 G292 I293 Y294 L297 L320 A395 L396 I413 | V284-L288 HydrophobicContact CG1-CD1 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.77Å; V284-L288 VanDerWaalsContact O-N 3.14Å; H285-L288 CarbonylContact O-C 3.55Å; H285-L288 WeakPolarHBondContact O-CB 3.26Å; H285-L288 PolarHBondContact O-N 3.3Å; H285-L288 VanDerWaalsContact O-N 3.16Å; L288-R291 CarbonylContact O-C 3.54Å; L288-R291 PolarHBondContact O-N 3.36Å; L288-G292 PolarHBondContact O-N 2.99Å; L288-I293 HydrophobicContact CB-CD1 4.29Å; L288-I293 HydrophobicContact CB-CG1 4Å; L288-I293 HydrophobicContact CD2-CD1 3.42Å; L288-I293 VanDerWaalsContact CD2-CD1 3.42Å; L288-I293 HydrophobicContact CD2-CG1 4.11Å; L288-I293 HydrophobicContact CG-CD1 4.43Å; L288-I293 WeakPolarHBondContact O-CG1 3.43Å; L288-I293 PolarHBondContact O-N 3.01Å; L288-Y294 PolarHBondContact O-N 3.18Å; L288-L297 HydrophobicContact CD1-CD1 4.39Å; L288-L320 HydrophobicContact CD1-CD1 3.77Å; L288-A395 HydrophobicContact CD2-CB 4.15Å; L288-L396 HydrophobicContact CD1-CD1 4.21Å; L288-L396 HydrophobicContact CD2-CD2 4.15Å; L288-I413 HydrophobicContact CD2-CD1 3.74Å |
| 289 | K | 91.3 | Very high | 90.6 | Very high | 125 Ų | 125 | 48.1 Ų | 48.1 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.8 | -44 | 177.5 | -171.1 | -180 | -179.4 | -177.3 | 0 | 111.7 | H285 D286 R291 G292 Y294 | H285-K289 WeakPolarHBondContact O-CB 3.43Å; H285-K289 PolarHBondContact O-N 3.03Å; D286-K289 WeakPolarHBondContact O-CB 3.29Å; D286-K289 PolarHBondContact O-N 3.19Å; K289-R291 PolarHBondContact O-N 3.31Å; K289-G292 PolarHBondContact O-N 3.14Å; K289-Y294 HydrophobicContact CB-CD2 4.23Å; K289-Y294 HydrophobicContact CB-CG 4.05Å; K289-Y294 HydrophobicContact CG-CG 4.31Å |
| 290 | C | 86.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 68% | 0.676 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.9 | 172.7 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | D286 | D286-C290 WeakPolarHBondContact O-CB 3.42Å; D286-C290 PolarHBondContact O-N 3.04Å; D286-C290 PolarHBondContact O-SG 2.96Å |
| 291 | R | 81 | Confident | 88 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 5.7 | 177.3 | -63.4 | -55.4 | -171.2 | -170.1 | 8.1 | 114.4 | M287 L288 K289 I293 I413 F414 | M287-R291 PolarHBondContact O-N 2.89Å; L288-R291 CarbonylContact O-C 3.54Å; L288-R291 PolarHBondContact O-N 3.36Å; K289-R291 PolarHBondContact O-N 3.31Å; R291-I293 HydrophobicContact CB-CG1 4.3Å; R291-I293 PolarHBondContact O-N 3.06Å; R291-I413 WeakPolarHBondContact CD-O 3.4Å; R291-I413 HydrophobicContact CG-CB 4.38Å; R291-I413 VanDerWaalsContact CG-O 3.3Å; R291-I413 WeakPolarHBondContact CG-O 3.44Å; R291-I413 PolarHBondContact NE-O 2.85Å; R291-F414 HydrophobicContact CG-CE1 4.09Å; R291-F414 HydrophobicContact CG-CE2 4.43Å; R291-F414 HydrophobicContact CG-CZ 4Å; R291-F414 VanDerWaalsContact CZ-CD1 3.45Å; R291-F414 VanDerWaalsContact NE-CE1 3.31Å |
| 292 | G | 84.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 52 Ų | 52 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 18.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L288 K289 | L288-G292 PolarHBondContact O-N 2.99Å; K289-G292 PolarHBondContact O-N 3.14Å |
| 293 | I | 86.1 | Confident | 84.6 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -100.1 | -18.4 | 176 | 50.6 | 176 | 0 | 0 | 0 | 113.1 | L288 R291 E295 K296 L297 F375 A395 I413 | L288-I293 HydrophobicContact CB-CD1 4.29Å; L288-I293 HydrophobicContact CB-CG1 4Å; L288-I293 HydrophobicContact CD2-CD1 3.42Å; L288-I293 VanDerWaalsContact CD2-CD1 3.42Å; L288-I293 HydrophobicContact CD2-CG1 4.11Å; L288-I293 HydrophobicContact CG-CD1 4.43Å; L288-I293 WeakPolarHBondContact O-CG1 3.43Å; L288-I293 PolarHBondContact O-N 3.01Å; R291-I293 HydrophobicContact CB-CG1 4.3Å; R291-I293 PolarHBondContact O-N 3.06Å; I293-E295 PolarHBondContact O-N 3.12Å; I293-K296 PolarHBondContact O-N 3.11Å; I293-K296 VanDerWaalsContact O-N 3.11Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 2.96Å; I293-L297 VanDerWaalsContact O-N 3.14Å; I293-F375 HydrophobicContact CG2-CD2 4.17Å; I293-F375 HydrophobicContact CG2-CE2 3.46Å; I293-F375 VanDerWaalsContact CG2-CE2 3.46Å; I293-F375 HydrophobicContact CG2-CZ 4.26Å; I293-A395 HydrophobicContact CD1-CB 4.25Å; I293-I413 HydrophobicContact CD1-CD1 4.42Å; I293-I413 HydrophobicContact CD1-CG2 3.89Å | ||
| 294 | Y | 89.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -49.4 | -57.8 | -179.7 | -179.5 | -87.1 | 0 | 0 | 0 | 113.3 | H285 L288 K289 K296 L297 L298 K318 L320 | H285-Y294 HydrophobicContact CB-CD2 4.08Å; H285-Y294 HydrophobicContact CB-CE2 3.82Å; H285-Y294 AromaticContact ND1-CE2 3.71Å; L288-Y294 PolarHBondContact O-N 3.18Å; K289-Y294 HydrophobicContact CB-CD2 4.23Å; K289-Y294 HydrophobicContact CB-CG 4.05Å; K289-Y294 HydrophobicContact CG-CG 4.31Å; Y294-K296 PolarHBondContact O-N 3.41Å; Y294-K296 VanDerWaalsContact O-N 3.12Å; Y294-L297 PolarHBondContact O-N 3.21Å; Y294-L298 HydrophobicContact CE1-CD1 4.33Å; Y294-L298 PolarHBondContact O-N 3.06Å; Y294-K318 VanDerWaalsContact OH-CD 3.29Å; Y294-K318 WeakPolarHBondContact OH-CD 2.91Å; Y294-L320 HydrophobicContact CD2-CD1 3.64Å; Y294-L320 HydrophobicContact CD2-CD2 3.95Å; Y294-L320 HydrophobicContact CD2-CG 4.26Å; Y294-L320 HydrophobicContact CE1-CD2 4.44Å; Y294-L320 HydrophobicContact CE2-CD1 3.85Å; Y294-L320 HydrophobicContact CE2-CD2 3.8Å; Y294-L320 HydrophobicContact CE2-CG 4.06Å; Y294-L320 HydrophobicContact CG-CD1 4.48Å; Y294-L320 HydrophobicContact CG-CD2 4.31Å; Y294-L320 WeakPolarHBondContact O-CD2 3.25Å |
| 295 | E | 87.3 | Confident | 80.2 | Confident | 128 Ų | 128 | 65.5 Ų | 65.5 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.6 | -30 | -177.2 | -62.2 | -58.5 | 152.7 | 0 | 0 | 112.7 | I293 | I293-E295 PolarHBondContact O-N 3.12Å |
| 296 | K | 84.2 | Confident | 77.9 | Confident | 118 Ų | 118 | 69.9 Ų | 69.9 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -79.2 | -23.6 | -179.9 | -56.7 | -178.2 | -176.3 | 177.3 | 0 | 112.8 | I293 Y294 L373 | I293-K296 PolarHBondContact O-N 3.11Å; I293-K296 VanDerWaalsContact O-N 3.11Å; Y294-K296 PolarHBondContact O-N 3.41Å; Y294-K296 VanDerWaalsContact O-N 3.12Å; K296-L373 HydrophobicContact CB-CD1 3.42Å; K296-L373 VanDerWaalsContact CB-CD1 3.42Å; K296-L373 HydrophobicContact CD-CD1 3.69Å; K296-L373 HydrophobicContact CG-CD1 4.21Å |
| 297 | L | 88.3 | Confident | 75.5 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -92.6 | -9.7 | 176.4 | -63.8 | 176.8 | 0 | 0 | 0 | 111.8 | L288 I293 Y294 V299 L320 G321 H371 L373 | L288-L297 HydrophobicContact CD1-CD1 4.39Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 2.96Å; I293-L297 VanDerWaalsContact O-N 3.14Å; Y294-L297 PolarHBondContact O-N 3.21Å; L297-V299 PolarHBondContact O-N 2.88Å; L297-L320 HydrophobicContact CB-CB 4.16Å; L297-L320 HydrophobicContact CB-CD1 4.42Å; L297-L320 HydrophobicContact CB-CD2 4.12Å; L297-L320 HydrophobicContact CB-CG 4.46Å; L297-L320 CarbonylContact O-C 3.54Å; L297-L320 VanDerWaalsContact O-CA 3.27Å; L297-L320 WeakPolarHBondContact O-CA 3.28Å; L297-G321 WeakPolarHBondContact CD2-O 3.33Å; L297-G321 PolarHBondContact O-N 2.98Å; L297-H371 HydrophobicContact CD1-CB 4.45Å; L297-H371 HydrophobicContact CD2-CB 3.68Å; L297-H371 HydrophobicContact CG-CB 4.46Å; L297-L373 HydrophobicContact CD2-CD1 4.46Å |
| 298 | L | 88.1 | Confident | 73 | Confident | 49 Ų | 49 | 79 Ų | 79 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 109.5 | -178.6 | -169.9 | 68.9 | 0 | 0 | 0 | 110 | Y294 R300 T301 K318 L320 | Y294-L298 HydrophobicContact CE1-CD1 4.33Å; Y294-L298 PolarHBondContact O-N 3.06Å; L298-R300 VanDerWaalsContact CD1-O 3.24Å; L298-R300 WeakPolarHBondContact CD1-O 3.4Å; L298-T301 HydrophobicContact CD2-CG2 4.33Å; L298-K318 HydrophobicContact CD1-CB 4.31Å; L298-L320 HydrophobicContact CB-CD2 4.04Å; L298-L320 HydrophobicContact CD1-CD2 3.9Å |
| 299 | V | 81.7 | Confident | 70.9 | Confident | 51 Ų | 51 | 82.2 Ų | 82.2 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -30 | 176.7 | 180 | 0 | 0 | 0 | 0 | 110.3 | L297 T319 | L297-V299 PolarHBondContact O-N 2.88Å; V299-T319 PolarHBondContact N-O 3.36Å |
| 300 | R | 69.9 | Low | 69 | Low | 54 Ų | 54 | 80.4 Ų | 80.4 | 20% | 0.204 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144 | -173.9 | -59.9 | -177.1 | -179.1 | 176.9 | -18.1 | 112.4 | L298 I309 S310 K318 T319 | L298-R300 VanDerWaalsContact CD1-O 3.24Å; L298-R300 WeakPolarHBondContact CD1-O 3.4Å; R300-I309 HydrophobicContact CG-CG2 3.87Å; R300-S310 PolarHBondContact NE-O 3.23Å; R300-S310 PolarHBondContact NH1-O 3.4Å; R300-S310 PolarHBondContact NH2-O 3.17Å; R300-S310 PolarHBondContact NH2-OG 2.93Å; R300-K318 WeakPolarHBondContact O-CA 3.09Å; R300-T319 PolarHBondContact N-O 2.94Å; R300-T319 PolarHBondContact O-N 2.83Å |
| 301 | T | 71.2 | Confident | 67.6 | Low | 60 Ų | 60 | 82.1 Ų | 82.1 | 37% | 0.368 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 146 | 170.2 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | L298 S303 S317 | L298-T301 HydrophobicContact CD2-CG2 4.33Å; T301-S303 PolarHBondContact O-N 3.07Å; T301-S317 WeakPolarHBondContact CA-O 3.39Å |
| 302 | D | 64.3 | Low | 66.9 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | trans | -61.1 | 8.8 | 175 | -75.8 | -16.8 | 0 | 0 | 0 | 115.9 | Y207 V304 S317 | Y207-D302 PolarHBondContact OH-OD2 2.84Å; D302-V304 PolarHBondContact O-N 3.44Å; D302-S317 PolarHBondContact N-O 3.5Å; D302-S317 VanDerWaalsContact N-O 3.12Å; D302-S317 VanDerWaalsContact OD2-CA 3.3Å; D302-S317 WeakPolarHBondContact OD2-CA 3Å; D302-S317 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 303 | S | 58.6 | Low | 66.5 | Low | 57 Ų | 57 | 80.8 Ų | 80.8 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | trans | -56.9 | 125.2 | 175.1 | 149.2 | 0 | 0 | 0 | 0 | 111.5 | T301 N305 N306 | T301-S303 PolarHBondContact O-N 3.07Å; S303-N305 PolarHBondContact O-N 2.99Å; S303-N306 PolarHBondContact O-N 3.21Å | ||
| 304 | V | 51.5 | Low | 66.5 | Low | 126 Ų | 126 | 80.7 Ų | 80.7 | 76% | 0.764 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -24.1 | -177.1 | -173.3 | 0 | 0 | 0 | 0 | 114.4 | D302 | D302-V304 PolarHBondContact O-N 3.44Š|
| 305 | N | 47.4 | Very low | 66.4 | Low | 142 Ų | 142 | 79.5 Ų | 79.5 | 76% | 0.759 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.6 | -173.8 | -71.5 | -14.7 | 0 | 0 | 0 | 116.1 | S303 | S303-N305 PolarHBondContact O-N 2.99Š|
| 306 | N | 45.9 | Very low | 66.5 | Low | 97 Ų | 97 | 73.5 Ų | 73.5 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | trans | -112.9 | 64.2 | -176 | -86.2 | -14.4 | 0 | 0 | 0 | 113.2 | S303 S308 | S303-N306 PolarHBondContact O-N 3.21Å; N306-S308 PolarHBondContact O-N 2.76Å | ||
| 307 | K | 44.2 | Very low | 66.7 | Low | 200 Ų | 200 | 68.7 Ų | 68.7 | 87% | 0.87 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -7 | 173.3 | -68 | -174.1 | 179.1 | -177.5 | 0 | 114.5 | ||
| 308 | S | 39.6 | Very low | 66.8 | Low | 109 Ų | 109 | 72.7 Ų | 72.7 | 76% | 0.762 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.4 | -170.9 | 84.6 | 0 | 0 | 0 | 0 | 115.4 | N306 | N306-S308 PolarHBondContact O-N 2.76Š|
| 309 | I | 47.8 | Very low | 66.9 | Low | 68 Ų | 68 | 70.5 Ų | 70.5 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -115.6 | 121 | -178.4 | -56.7 | 174.3 | 0 | 0 | 0 | 107.4 | R300 R311 | R300-I309 HydrophobicContact CG-CG2 3.87Å; I309-R311 PolarHBondContact O-N 3.17Å |
| 310 | S | 51.7 | Low | 67.4 | Low | 87 Ų | 87 | 68.1 Ų | 68.1 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 133.8 | -179.9 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | R300 | R300-S310 PolarHBondContact NE-O 3.23Å; R300-S310 PolarHBondContact NH1-O 3.4Å; R300-S310 PolarHBondContact NH2-O 3.17Å; R300-S310 PolarHBondContact NH2-OG 2.93Å |
| 311 | R | 55.9 | Low | 68.4 | Low | 136 Ų | 136 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 143.8 | 175.8 | -75.1 | 178.7 | 175.7 | 172.7 | -1.8 | 109.4 | I309 | I309-R311 PolarHBondContact O-N 3.17Š|
| 312 | P | 67.3 | Low | 69.4 | Low | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.065 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 145.5 | 167.6 | 25.1 | -30.4 | 0 | 0 | 0 | 108.5 | E277 S314 G315 F316 | E277-P312 WeakPolarHBondContact OE2-CB 3.09Å; P312-S314 PolarHBondContact O-N 3.4Å; P312-G315 PolarHBondContact O-N 3.43Å; P312-F316 WeakPolarHBondContact CG-O 3.36Å |
| 313 | H | 76.3 | Confident | 70.7 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39.6 | -177.5 | -82.8 | -82.5 | 0 | 0 | 0 | 110.1 | Q235 Y238 Q239 G315 | Q235-H313 PolarHBondContact NE2-O 2.97Å; Y238-H313 WeakPolarHBondContact CE1-O 3.27Å; Q239-H313 WeakPolarHBondContact CG-O 3.45Å; Q239-H313 PolarHBondContact NE2-O 3.23Å; Q239-H313 VanDerWaalsContact NE2-O 3.13Å; H313-G315 VanDerWaalsContact C-N 3.27Å; H313-G315 PolarHBondContact O-N 3.15Å |
| 314 | S | 85.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.1 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 115.1 | M242 E277 P312 F316 | M242-S314 WeakPolarHBondContact CB-O 3.43Å; E277-S314 VanDerWaalsContact CD-OG 3.25Å; E277-S314 WeakPolarHBondContact OE1-CB 3.32Å; E277-S314 PolarHBondContact OE1-OG 3.09Å; E277-S314 PolarHBondContact OE2-N 3.32Å; E277-S314 PolarHBondContact OE2-OG 2.9Å; P312-S314 PolarHBondContact O-N 3.4Å; S314-F316 VanDerWaalsContact C-N 3.3Å; S314-F316 WeakPolarHBondContact OG-CD2 2.96Å; S314-F316 PolarHBondContact OG-N 2.56Å; S314-F316 VanDerWaalsContact OG-N 3.1Å |
| 315 | G | 86.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | 78.4 | 2.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R243 P312 H313 | R243-G315 VanDerWaalsContact CG-O 3.31Å; R243-G315 WeakPolarHBondContact CG-O 3.32Å; R243-G315 VanDerWaalsContact CZ-O 3.23Å; R243-G315 PolarHBondContact NE-O 3.38Å; R243-G315 PolarHBondContact NH2-O 2.81Å; P312-G315 PolarHBondContact O-N 3.43Å; H313-G315 VanDerWaalsContact C-N 3.27Å; H313-G315 PolarHBondContact O-N 3.15Å | ||
| 316 | F | 91 | Very high | 75.9 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | trans | -54.7 | 145.6 | 178.4 | -89.4 | -127.2 | 0 | 0 | 0 | 112.8 | M242 E246 L251 L279 P312 S314 K318 | M242-F316 HydrophobicContact CB-CD2 4.46Å; M242-F316 HydrophobicContact CB-CE2 4.17Å; M242-F316 HydrophobicContact CE-CE2 3.8Å; M242-F316 HydrophobicContact CE-CZ 4.41Å; M242-F316 WeakPolarHBondContact O-CE2 3.29Å; E246-F316 HydrophobicContact CB-CD1 3.92Å; E246-F316 HydrophobicContact CB-CD2 4.39Å; E246-F316 HydrophobicContact CB-CE1 3.65Å; E246-F316 HydrophobicContact CB-CE2 4.14Å; E246-F316 HydrophobicContact CB-CG 4.3Å; E246-F316 HydrophobicContact CB-CZ 3.77Å; E246-F316 HydrophobicContact CG-CD1 3.64Å; E246-F316 HydrophobicContact CG-CE1 3.68Å; E246-F316 HydrophobicContact CG-CG 4.28Å; E246-F316 HydrophobicContact CG-CZ 4.32Å; E246-F316 VanDerWaalsContact OE2-CA 3.31Å; E246-F316 WeakPolarHBondContact OE2-CA 3.24Å; L251-F316 HydrophobicContact CB-CE1 3.76Å; L251-F316 HydrophobicContact CB-CZ 4.05Å; L251-F316 HydrophobicContact CD1-CZ 4.43Å; L279-F316 HydrophobicContact CD1-CE2 3.88Å; L279-F316 HydrophobicContact CD1-CZ 3.92Å; L279-F316 HydrophobicContact CD2-CD1 4.11Å; L279-F316 HydrophobicContact CD2-CD2 4.12Å; L279-F316 HydrophobicContact CD2-CE1 3.91Å; L279-F316 HydrophobicContact CD2-CE2 3.93Å; L279-F316 HydrophobicContact CD2-CG 4.21Å; L279-F316 HydrophobicContact CD2-CZ 3.82Å; L279-F316 HydrophobicContact CG-CZ 4.33Å; P312-F316 WeakPolarHBondContact CG-O 3.36Å; S314-F316 VanDerWaalsContact C-N 3.3Å; S314-F316 WeakPolarHBondContact OG-CD2 2.96Å; S314-F316 PolarHBondContact OG-N 2.56Å; S314-F316 VanDerWaalsContact OG-N 3.1Å; F316-K318 VanDerWaalsContact C-N 3.35Å; F316-K318 PolarHBondContact O-N 3.24Å | ||
| 317 | S | 88.2 | Confident | 77.6 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67.3 | -32.9 | -171.6 | 74 | 0 | 0 | 0 | 0 | 114.5 | Y207 E246 T301 D302 | Y207-S317 WeakPolarHBondContact OH-CB 3.37Å; E246-S317 WeakPolarHBondContact OE1-CB 3.3Å; E246-S317 PolarHBondContact OE1-N 3.12Å; E246-S317 PolarHBondContact OE1-OG 3.35Å; E246-S317 PolarHBondContact OE2-N 3.37Å; T301-S317 WeakPolarHBondContact CA-O 3.39Å; D302-S317 PolarHBondContact N-O 3.5Å; D302-S317 VanDerWaalsContact N-O 3.12Å; D302-S317 VanDerWaalsContact OD2-CA 3.3Å; D302-S317 WeakPolarHBondContact OD2-CA 3Å; D302-S317 WeakPolarHBondContact OD2-CB 3.31Å |
| 318 | K | 89 | Confident | 79.4 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.6 | -175.7 | -63.1 | 176.8 | -165.9 | 169.1 | 0 | 110.3 | Y294 L298 R300 F316 | Y294-K318 VanDerWaalsContact OH-CD 3.29Å; Y294-K318 WeakPolarHBondContact OH-CD 2.91Å; L298-K318 HydrophobicContact CD1-CB 4.31Å; R300-K318 WeakPolarHBondContact O-CA 3.09Å; F316-K318 VanDerWaalsContact C-N 3.35Å; F316-K318 PolarHBondContact O-N 3.24Å |
| 319 | T | 91.1 | Very high | 81.1 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 126 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | S253 L255 V299 R300 | S253-T319 WeakPolarHBondContact O-CA 3.34Å; S253-T319 WeakPolarHBondContact OG-CG2 3.18Å; S253-T319 PolarHBondContact OG-OG1 3.14Å; S253-T319 VanDerWaalsContact OG-OG1 3.14Å; L255-T319 HydrophobicContact CB-CG2 3.69Å; V299-T319 PolarHBondContact N-O 3.36Å; R300-T319 PolarHBondContact N-O 2.94Å; R300-T319 PolarHBondContact O-N 2.83Å |
| 320 | L | 92.2 | Very high | 82.3 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.1 | 169.8 | -62.3 | -172 | 0 | 0 | 0 | 110.2 | S253 T254 L255 H285 L288 Y294 L297 L298 | S253-L320 PolarHBondContact O-N 3.43Å; T254-L320 CarbonylContact C-O 3.57Å; T254-L320 VanDerWaalsContact CA-O 3.28Å; T254-L320 WeakPolarHBondContact CA-O 3.5Å; L255-L320 PolarHBondContact N-O 3.31Å; H285-L320 HydrophobicContact CB-CD1 4.38Å; H285-L320 WeakPolarHBondContact CE1-CG 3.48Å; L288-L320 HydrophobicContact CD1-CD1 3.77Å; Y294-L320 HydrophobicContact CD2-CD1 3.64Å; Y294-L320 HydrophobicContact CD2-CD2 3.95Å; Y294-L320 HydrophobicContact CD2-CG 4.26Å; Y294-L320 HydrophobicContact CE1-CD2 4.44Å; Y294-L320 HydrophobicContact CE2-CD1 3.85Å; Y294-L320 HydrophobicContact CE2-CD2 3.8Å; Y294-L320 HydrophobicContact CE2-CG 4.06Å; Y294-L320 HydrophobicContact CG-CD1 4.48Å; Y294-L320 HydrophobicContact CG-CD2 4.31Å; Y294-L320 WeakPolarHBondContact O-CD2 3.25Å; L297-L320 HydrophobicContact CB-CB 4.16Å; L297-L320 HydrophobicContact CB-CD1 4.42Å; L297-L320 HydrophobicContact CB-CD2 4.12Å; L297-L320 HydrophobicContact CB-CG 4.46Å; L297-L320 CarbonylContact O-C 3.54Å; L297-L320 VanDerWaalsContact O-CA 3.27Å; L297-L320 WeakPolarHBondContact O-CA 3.28Å; L298-L320 HydrophobicContact CB-CD2 4.04Å; L298-L320 HydrophobicContact CD1-CD2 3.9Å |
| 321 | G | 91.2 | Very high | 83.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L255 L297 | L255-G321 WeakPolarHBondContact O-CA 3.44Å; L297-G321 WeakPolarHBondContact CD2-O 3.33Å; L297-G321 PolarHBondContact O-N 2.98Å |
| 322 | I | 92.2 | Very high | 83.8 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.8 | 176.3 | -164.2 | 168.7 | 0 | 0 | 0 | 110.4 | T254 L255 V256 Q257 L369 A370 A395 L396 | T254-I322 HydrophobicContact CG2-CG2 3.59Å; L255-I322 PolarHBondContact O-N 2.97Å; V256-I322 WeakPolarHBondContact CA-O 3.31Å; Q257-I322 PolarHBondContact N-O 3.32Å; I322-L369 HydrophobicContact CD1-CB 3.72Å; I322-L369 HydrophobicContact CG1-CB 3.9Å; I322-L369 HydrophobicContact CG2-CB 3.92Å; I322-L369 HydrophobicContact CG2-CD1 3.88Å; I322-L369 HydrophobicContact CG2-CD2 4.43Å; I322-L369 HydrophobicContact CG2-CG 4.3Å; I322-A370 WeakPolarHBondContact CG1-O 3.4Å; I322-A395 HydrophobicContact CD1-CB 4.16Å; I322-L396 HydrophobicContact CD1-CB 4.48Å; I322-L396 HydrophobicContact CD1-CD1 3.85Å; I322-L396 HydrophobicContact CD1-CG 4.08Å |
| 323 | K | 91.3 | Very high | 83.8 | Confident | 65 Ų | 65 | 55 Ų | 55 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.4 | -168.2 | -66.2 | -178.7 | 168.3 | -127.4 | 0 | 112 | Q257 D258 L369 A370 R372 | Q257-K323 HydrophobicContact CB-CG 4.36Å; D258-K323 IonicContact OD1-NZ 3.4Å; D258-K323 VanDerWaalsContact OD2-CD 3.27Å; D258-K323 WeakPolarHBondContact OD2-CD 3.35Å; D258-K323 WeakPolarHBondContact OD2-CE 3.23Å; D258-K323 IonicContact OD2-NZ 3.07Å; D258-K323 PolarHBondContact OD2-NZ 3Å; K323-L369 WeakPolarHBondContact O-CA 3.43Å; K323-A370 PolarHBondContact N-O 2.95Å; K323-A370 PolarHBondContact O-N 2.89Å; K323-R372 HydrophobicContact CD-CG 4.34Å |
| 324 | W | 91.6 | Very high | 83.6 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 133 | 167.8 | 176.5 | -74.6 | 0 | 0 | 0 | 111.2 | V256 Q257 I259 P327 L357 F360 V367 | V256-W324 HydrophobicContact CG1-CE3 4.35Å; Q257-W324 WeakPolarHBondContact O-CB 3.4Å; Q257-W324 PolarHBondContact O-N 2.79Å; I259-W324 HydrophobicContact CB-CE3 4.46Å; I259-W324 HydrophobicContact CG1-CB 4.49Å; I259-W324 HydrophobicContact CG1-CE3 4.03Å; I259-W324 HydrophobicContact CG2-CE3 4.05Å; I259-W324 HydrophobicContact CG2-CZ3 4.18Å; W324-P327 HydrophobicContact CZ2-CG 4.43Å; W324-L357 HydrophobicContact CE3-CD1 4.22Å; W324-L357 HydrophobicContact CZ3-CD1 3.53Å; W324-F360 AromaticContact CH2-CD1 3.56Å; W324-F360 HydrophobicContact CH2-CD1 3.56Å; W324-F360 HydrophobicContact CH2-CD2 4.35Å; W324-F360 AromaticContact CH2-CE1 3.49Å; W324-F360 HydrophobicContact CH2-CE1 3.49Å; W324-F360 VanDerWaalsContact CH2-CE1 3.49Å; W324-F360 HydrophobicContact CH2-CE2 4.28Å; W324-F360 AromaticContact CH2-CG 4Å; W324-F360 HydrophobicContact CH2-CG 4Å; W324-F360 AromaticContact CH2-CZ 3.88Å; W324-F360 HydrophobicContact CH2-CZ 3.88Å; W324-F360 HydrophobicContact CZ2-CD1 4.33Å; W324-F360 AromaticContact CZ2-CE1 3.83Å; W324-F360 HydrophobicContact CZ2-CE1 3.83Å; W324-F360 HydrophobicContact CZ2-CE2 4.32Å; W324-F360 AromaticContact CZ2-CZ 3.82Å; W324-F360 HydrophobicContact CZ2-CZ 3.82Å; W324-F360 HydrophobicContact CZ3-CD1 4.46Å; W324-V367 HydrophobicContact CD2-CG1 3.46Å; W324-V367 VanDerWaalsContact CD2-CG1 3.46Å; W324-V367 HydrophobicContact CE3-CB 4.2Å; W324-V367 HydrophobicContact CE3-CG1 3.21Å; W324-V367 HydrophobicContact CE3-CG2 3.96Å; W324-V367 HydrophobicContact CG-CG1 4.15Å; W324-V367 HydrophobicContact CH2-CB 4.24Å; W324-V367 HydrophobicContact CH2-CG1 4Å; W324-V367 HydrophobicContact CH2-CG2 3.22Å; W324-V367 HydrophobicContact CZ2-CG1 4.19Å; W324-V367 HydrophobicContact CZ2-CG2 3.87Å; W324-V367 HydrophobicContact CZ3-CB 4Å; W324-V367 HydrophobicContact CZ3-CG1 3.51Å; W324-V367 HydrophobicContact CZ3-CG2 3.27Å |
| 325 | V | 89.2 | Confident | 83.2 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.6 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | P327 A368 A370 | V325-P327 WeakPolarHBondContact O-CD 3.38Å; V325-P327 VanDerWaalsContact O-N 3.15Å; V325-A368 HydrophobicContact CB-CB 4.12Å; V325-A368 WeakPolarHBondContact CB-O 3.07Å; V325-A368 HydrophobicContact CG2-CB 4.45Å; V325-A368 PolarHBondContact N-O 3.19Å; V325-A370 HydrophobicContact CG2-CB 3.43Å; V325-A370 VanDerWaalsContact CG2-CB 3.43Å |
| 326 | T | 85.8 | Confident | 83 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | trans | -59.9 | 115.3 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | K328 | T326-K328 PolarHBondContact O-N 3.07Š| ||
| 327 | P | 81.5 | Confident | 82.6 | Confident | 49 Ų | 49 | 71 Ų | 71 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | trans | -62.1 | 132.2 | -178.8 | -23.1 | 34.5 | 0 | 0 | 0 | 111.1 | W324 V325 F360 S366 | W324-P327 HydrophobicContact CZ2-CG 4.43Å; V325-P327 WeakPolarHBondContact O-CD 3.38Å; V325-P327 VanDerWaalsContact O-N 3.15Å; P327-F360 HydrophobicContact CG-CE1 4.42Å; P327-F360 HydrophobicContact CG-CZ 4.16Å; P327-S366 WeakPolarHBondContact CG-O 3.27Å | ||
| 328 | K | 82.3 | Confident | 82.7 | Confident | 149 Ų | 149 | 71.8 Ų | 71.8 | 65% | 0.648 | 39% | 0.391 | S | S | * | . | trans | -88.7 | 154.7 | 171.5 | -61.4 | 175.7 | -176.6 | 173 | 0 | 109.7 | T326 S330 D331 | T326-K328 PolarHBondContact O-N 3.07Å; K328-S330 PolarHBondContact O-N 3.38Å; K328-D331 PolarHBondContact N-OD2 2.83Å; K328-D331 WeakPolarHBondContact O-CB 3.39Å; K328-D331 PolarHBondContact O-N 3.5Å | ||
| 329 | T | 74.9 | Confident | 82.8 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 92% | 0.92 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -59.2 | -28 | 177 | 46.9 | 0 | 0 | 0 | 0 | 113 | D331 | T329-D331 VanDerWaalsContact C-N 3.28Å; T329-D331 PolarHBondContact O-N 3.49Å |
| 330 | S | 74.1 | Confident | 82.9 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -68.3 | -21.8 | 175 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | K328 A332 N333 | K328-S330 PolarHBondContact O-N 3.38Å; S330-A332 PolarHBondContact O-N 2.88Å; S330-N333 PolarHBondContact O-N 3.3Å |
| 331 | D | 70.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -74.6 | -16.8 | -167.3 | -60.9 | -10.1 | 0 | 0 | 0 | 112.8 | K328 T329 N333 F334 | K328-D331 PolarHBondContact N-OD2 2.83Å; K328-D331 WeakPolarHBondContact O-CB 3.39Å; K328-D331 PolarHBondContact O-N 3.5Å; T329-D331 VanDerWaalsContact C-N 3.28Å; T329-D331 PolarHBondContact O-N 3.49Å; D331-N333 PolarHBondContact O-N 3.49Å; D331-F334 PolarHBondContact O-N 2.63Å |
| 332 | A | 67.7 | Low | 83.4 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 79% | 0.793 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S330 | S330-A332 PolarHBondContact O-N 2.88Š|
| 333 | N | 68.1 | Low | 83.7 | Confident | 155 Ų | 155 | 78.7 Ų | 78.7 | 83% | 0.829 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -93.8 | -4.6 | 178.7 | -65.4 | -22.6 | 0 | 0 | 0 | 112.9 | S330 D331 L335 | S330-N333 PolarHBondContact O-N 3.3Å; D331-N333 PolarHBondContact O-N 3.49Å; N333-L335 PolarHBondContact O-N 2.75Å |
| 334 | F | 71.2 | Confident | 84 | Confident | 117 Ų | 117 | 76 Ų | 76 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | trans | -90.6 | 109.6 | -172.7 | -163 | -100.5 | 0 | 0 | 0 | 110.9 | D331 R336 | D331-F334 PolarHBondContact O-N 2.63Å; F334-R336 HydrophobicContact CD1-CG 3.7Å; F334-R336 HydrophobicContact CE1-CG 4.02Å; F334-R336 PolarHBondContact O-N 3.06Å | ||
| 335 | L | 76.8 | Confident | 84.3 | Confident | 164 Ų | 164 | 76 Ų | 76 | 86% | 0.859 | 42% | 0.421 | S | S | * | . | trans | -75.8 | 106.8 | 171.5 | -175.9 | 67.4 | 0 | 0 | 0 | 109.2 | N333 | N333-L335 PolarHBondContact O-N 2.75Š| ||
| 336 | R | 82.3 | Confident | 84.6 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | trans | -80.1 | 123.7 | 171.8 | -67.5 | -177 | 171.7 | 80.8 | -4.3 | 109.6 | F334 A338 E394 L397 L410 | F334-R336 HydrophobicContact CD1-CG 3.7Å; F334-R336 HydrophobicContact CE1-CG 4.02Å; F334-R336 PolarHBondContact O-N 3.06Å; R336-A338 PolarHBondContact O-N 3.41Å; R336-E394 IonicContact CZ-OE1 2.8Å; R336-E394 IonicContact CZ-OE2 2.9Å; R336-E394 IonicContact NE-OE1 3.49Å; R336-E394 IonicContact NE-OE2 2.85Å; R336-E394 PolarHBondContact NE-OE2 3.04Å; R336-E394 IonicContact NH2-OE1 3.77Å; R336-E394 PolarHBondContact NH2-OE1 3.29Å; R336-E394 IonicContact NH2-OE2 3.16Å; R336-E394 PolarHBondContact NH2-OE2 3Å; R336-L397 HydrophobicContact CB-CD2 4.45Å; R336-L410 HydrophobicContact CB-CD2 3.86Å | ||
| 337 | F | 84.3 | Confident | 84.9 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 58% | 0.575 | 39% | 0.386 | S | S | * | . | trans | -73.5 | 117.7 | 175.1 | -177.1 | -139.3 | 0 | 0 | 0 | 109.3 | A411 M416 | F337-A411 HydrophobicContact CB-CB 4.05Å; F337-A411 HydrophobicContact CD1-CB 3.09Å; F337-A411 HydrophobicContact CE1-CB 3.64Å; F337-A411 HydrophobicContact CG-CB 3.79Å; F337-A411 WeakPolarHBondContact O-CB 3.44Å; F337-A411 PolarHBondContact O-N 2.78Å; F337-M416 HydrophobicContact CE1-CG 4.25Å | ||
| 338 | A | 89.1 | Confident | 85.3 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | R336 H408 V409 L410 | R336-A338 PolarHBondContact O-N 3.41Å; A338-H408 HydrophobicContact CB-CB 3.97Å; A338-V409 CarbonylContact C-O 3.52Å; A338-V409 VanDerWaalsContact CA-O 3.28Å; A338-V409 WeakPolarHBondContact CA-O 3.31Å; A338-L410 HydrophobicContact CB-CD2 4.5Å |
| 339 | V | 90.6 | Very high | 85.6 | Confident | 55 Ų | 55 | 66 Ų | 66 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -21.4 | 177.1 | -70.5 | 0 | 0 | 0 | 0 | 112.7 | M287 V409 A411 F414 | M287-V339 HydrophobicContact CE-CB 4.14Å; M287-V339 HydrophobicContact CE-CG2 3.35Å; V339-V409 HydrophobicContact CG2-CB 4.05Å; V339-V409 HydrophobicContact CG2-CG1 3.88Å; V339-V409 VanDerWaalsContact CG2-O 3.27Å; V339-V409 WeakPolarHBondContact CG2-O 3.42Å; V339-V409 PolarHBondContact N-O 3.2Å; V339-A411 HydrophobicContact CG1-CB 3.9Å; V339-F414 HydrophobicContact CB-CD2 4.49Å; V339-F414 HydrophobicContact CG1-CB 4.36Å; V339-F414 HydrophobicContact CG1-CD2 4.32Å; V339-F414 HydrophobicContact CG1-CG 4.48Å; V339-F414 HydrophobicContact CG2-CD2 3.54Å; V339-F414 HydrophobicContact CG2-CE2 3.74Å; V339-F414 HydrophobicContact CG2-CG 4.37Å |
| 340 | A | 94.1 | Very high | 86.1 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M287 Y342 H408 V409 | M287-A340 HydrophobicContact CE-CB 3.86Å; M287-A340 HydrophobicContact SD-CB 3.63Å; A340-Y342 HydrophobicContact CB-CD2 4.47Å; A340-Y342 HydrophobicContact CB-CE2 3.64Å; A340-H408 WeakPolarHBondContact O-CA 3.41Å; A340-V409 HydrophobicContact CB-CB 4.22Å; A340-V409 HydrophobicContact CB-CG2 4.24Å; A340-V409 PolarHBondContact O-N 2.88Å |
| 341 | T | 96.2 | Very high | 86.7 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.2 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | I407 H408 | T341-I407 WeakPolarHBondContact CA-O 3.49Å; T341-H408 PolarHBondContact OG1-CD2 3.1Å; T341-H408 PolarHBondContact OG1-CE1 2.87Å; T341-H408 PolarHBondContact OG1-NE2 3.06Å; T341-H408 VanDerWaalsContact OG1-NE2 3.1Å |
| 342 | Y | 97.9 | Very high | 87.4 | Confident | 44 Ų | 44 | 69 Ų | 69 | 17% | 0.173 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.2 | -177.8 | -59.5 | -81.6 | 0 | 0 | 0 | 110.2 | R281 E283 V284 A340 Y406 I407 V409 | R281-Y342 HydrophobicContact CB-CD1 3.8Å; R281-Y342 HydrophobicContact CB-CE1 4.37Å; R281-Y342 HydrophobicContact CB-CG 4.21Å; R281-Y342 HydrophobicContact CG-CD1 4.4Å; E283-Y342 HydrophobicContact CB-CE1 4.11Å; E283-Y342 HydrophobicContact CB-CE2 4.31Å; E283-Y342 VanDerWaalsContact CB-OH 3.3Å; E283-Y342 WeakPolarHBondContact CB-OH 3.34Å; V284-Y342 HydrophobicContact CG2-CD2 3.29Å; V284-Y342 HydrophobicContact CG2-CE2 3.82Å; V284-Y342 HydrophobicContact CG2-CG 3.99Å; A340-Y342 HydrophobicContact CB-CD2 4.47Å; A340-Y342 HydrophobicContact CB-CE2 3.64Å; Y342-Y406 CarbonylContact O-C 3.57Å; Y342-Y406 WeakPolarHBondContact O-CA 3.42Å; Y342-I407 PolarHBondContact N-O 3.06Å; Y342-I407 PolarHBondContact O-N 2.79Å; Y342-V409 HydrophobicContact CE2-CG2 4.4Å |
| 343 | R | 98 | Very high | 88.3 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 152.2 | 171.6 | -69.7 | -171.4 | -176.1 | -175.3 | 8.9 | 110.6 | D64 I65 S67 V404 M405 Y406 | D64-R343 VanDerWaalsContact O-CD 3.31Å; D64-R343 WeakPolarHBondContact O-CD 3.47Å; I65-R343 WeakPolarHBondContact O-CD 3.22Å; S67-R343 PolarHBondContact OG-NH1 2.93Å; S67-R343 VanDerWaalsContact OG-NH1 3.1Å; R343-V404 HydrophobicContact CG-CG1 3.96Å; R343-M405 WeakPolarHBondContact CA-O 3.19Å; R343-Y406 HydrophobicContact CB-CE1 4.45Å; R343-Y406 HydrophobicContact CG-CD1 4.04Å; R343-Y406 HydrophobicContact CG-CE1 3.43Å; R343-Y406 VanDerWaalsContact CG-CE1 3.43Å; R343-Y406 PolarHBondContact NE-OH 2.98Å |
| 344 | V | 97.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146 | -178 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | I278 L279 H280 L398 M405 I407 | I278-V344 HydrophobicContact CB-CG1 3.56Å; I278-V344 HydrophobicContact CD1-CG1 4Å; I278-V344 HydrophobicContact CG1-CG1 4.29Å; I278-V344 HydrophobicContact CG2-CG1 3.91Å; L279-V344 WeakPolarHBondContact O-CA 3.03Å; H280-V344 HydrophobicContact CB-CG2 4.16Å; V344-L398 HydrophobicContact CG1-CD1 4.41Å; V344-L398 HydrophobicContact CG2-CD1 4.24Å; V344-M405 HydrophobicContact CB-CB 4.47Å; V344-M405 PolarHBondContact N-O 3.48Å; V344-I407 HydrophobicContact CG2-CB 3.44Å; V344-I407 VanDerWaalsContact CG2-CB 3.44Å; V344-I407 HydrophobicContact CG2-CG2 3.47Å; V344-I407 VanDerWaalsContact CG2-CG2 3.47Å; V344-I407 VanDerWaalsContact CG2-N 3.28Å |
| 345 | T | 96.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 161 | 164.5 | -168 | 0 | 0 | 0 | 0 | 111.6 | R60 V61 D64 I65 I278 L279 | R60-T345 PolarHBondContact NH1-OG1 2.91Å; V61-T345 HydrophobicContact CB-CG2 4.32Å; V61-T345 HydrophobicContact CG1-CG2 4.02Å; V61-T345 HydrophobicContact CG2-CG2 4.01Å; D64-T345 HydrophobicContact CB-CG2 4.33Å; D64-T345 WeakPolarHBondContact OD2-CB 3.33Å; D64-T345 PolarHBondContact OD2-OG1 2.8Å; I65-T345 HydrophobicContact CD1-CG2 4.02Å; I65-T345 HydrophobicContact CG1-CG2 4Å; I278-T345 CarbonylContact C-O 3.55Å; I278-T345 WeakPolarHBondContact CA-O 3.38Å; L279-T345 HydrophobicContact CB-CG2 3.92Å; L279-T345 HydrophobicContact CD1-CG2 4.46Å; L279-T345 PolarHBondContact N-O 2.99Å; L279-T345 PolarHBondContact O-N 2.97Å |
| 346 | L | 95.5 | Very high | 91 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 141.1 | 173.2 | -60.3 | 164.2 | 0 | 0 | 0 | 109 | R60 V276 I278 V349 L357 A358 | R60-L346 PolarHBondContact NH1-O 3.43Å; R60-L346 PolarHBondContact NH2-O 2.95Å; V276-L346 HydrophobicContact CG1-CD2 3.59Å; I278-L346 HydrophobicContact CG2-CD2 3.98Å; L346-V349 HydrophobicContact CB-CG1 3.94Å; L346-V349 HydrophobicContact CD1-CG1 4.41Å; L346-L357 HydrophobicContact CD2-CD2 4.39Å; L346-A358 HydrophobicContact CD1-CB 3.83Å |
| 347 | A | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -65 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R60 Y238 E277 L279 | R60-A347 PolarHBondContact NH2-O 3.36Å; Y238-A347 PolarHBondContact OH-O 3.34Å; E277-A347 HydrophobicContact CB-CB 3.88Å; E277-A347 HydrophobicContact CG-CB 3.75Å; E277-A347 PolarHBondContact O-N 3.09Å; L279-A347 HydrophobicContact CD1-CB 4.26Å; L279-A347 HydrophobicContact CD2-CB 4.28Å; L279-A347 HydrophobicContact CG-CB 4.14Å |
| 348 | D | 89.2 | Confident | 91.9 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | trans | -117 | 103 | 174.4 | -175.2 | -17.3 | 0 | 0 | 0 | 109.3 | C350 H351 S354 | D348-C350 PolarHBondContact OD1-N 2.77Å; D348-H351 HydrophobicContact CB-CB 4.08Å; D348-H351 PolarHBondContact OD1-N 3.01Å; D348-S354 WeakPolarHBondContact O-CB 3.44Å; D348-S354 PolarHBondContact O-OG 3.14Å | ||
| 349 | V | 90.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -76 | -22.9 | -178.1 | -69.9 | 0 | 0 | 0 | 0 | 113.3 | L346 | L346-V349 HydrophobicContact CB-CG1 3.94Å; L346-V349 HydrophobicContact CD1-CG1 4.41Å |
| 350 | C | 85.8 | Confident | 92.1 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 76% | 0.764 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -90.2 | -17.5 | -177.2 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | D348 R352 | D348-C350 PolarHBondContact OD1-N 2.77Å; C350-R352 PolarHBondContact O-N 2.73Å |
| 351 | H | 86.7 | Confident | 92.1 | Very high | 85 Ų | 85 | 44.7 Ų | 44.7 | 39% | 0.394 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -63.7 | 130.4 | 175.2 | -166.2 | -90.1 | 0 | 0 | 0 | 111.4 | D348 A353 S354 T355 | D348-H351 HydrophobicContact CB-CB 4.08Å; D348-H351 PolarHBondContact OD1-N 3.01Å; H351-A353 VanDerWaalsContact C-N 3.29Å; H351-A353 WeakPolarHBondContact ND1-CB 3.26Å; H351-A353 PolarHBondContact ND1-N 2.95Å; H351-A353 PolarHBondContact O-N 2.82Å; H351-S354 WeakPolarHBondContact O-CA 3.48Å; H351-S354 VanDerWaalsContact O-CB 3.27Å; H351-S354 WeakPolarHBondContact O-CB 3.44Å; H351-S354 PolarHBondContact O-N 3.07Å; H351-T355 PolarHBondContact O-N 3.2Å; H351-T355 PolarHBondContact O-OG1 3.06Å |
| 352 | R | 84.7 | Confident | 92 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -51.1 | -46.4 | -176.5 | -178.2 | -176.1 | 177.9 | -172 | 1 | 113.1 | E263 C350 S354 T355 C356 | E263-R352 IonicContact OE1-NH2 2.76Å; E263-R352 PolarHBondContact OE1-NH2 3.38Å; E263-R352 IonicContact OE2-CZ 3.81Å; E263-R352 IonicContact OE2-NH2 3.74Å; E263-R352 PolarHBondContact OE2-NH2 2.84Å; C350-R352 PolarHBondContact O-N 2.73Å; R352-S354 VanDerWaalsContact C-N 3.28Å; R352-S354 PolarHBondContact O-N 2.87Å; R352-T355 PolarHBondContact O-N 3Å; R352-C356 PolarHBondContact O-N 2.92Å; R352-C356 PolarHBondContact O-SG 2.94Å; R352-C356 VanDerWaalsContact O-SG 3.39Å |
| 353 | A | 86.8 | Confident | 91.7 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y274 V276 H351 C356 L357 | Y274-A353 HydrophobicContact CD1-CB 4.46Å; Y274-A353 HydrophobicContact CD2-CB 3.19Å; Y274-A353 HydrophobicContact CE2-CB 3.45Å; Y274-A353 VanDerWaalsContact CE2-CB 3.45Å; Y274-A353 HydrophobicContact CG-CB 3.76Å; V276-A353 HydrophobicContact CG2-CB 3.71Å; H351-A353 VanDerWaalsContact C-N 3.29Å; H351-A353 WeakPolarHBondContact ND1-CB 3.26Å; H351-A353 PolarHBondContact ND1-N 2.95Å; H351-A353 PolarHBondContact O-N 2.82Å; A353-C356 PolarHBondContact O-N 2.74Å; A353-L357 PolarHBondContact O-N 2.9Å |
| 354 | S | 90.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 177.9 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | D348 H351 R352 C356 L357 A358 | D348-S354 WeakPolarHBondContact O-CB 3.44Å; D348-S354 PolarHBondContact O-OG 3.14Å; H351-S354 WeakPolarHBondContact O-CA 3.48Å; H351-S354 VanDerWaalsContact O-CB 3.27Å; H351-S354 WeakPolarHBondContact O-CB 3.44Å; H351-S354 PolarHBondContact O-N 3.07Å; R352-S354 VanDerWaalsContact C-N 3.28Å; R352-S354 PolarHBondContact O-N 2.87Å; S354-C356 VanDerWaalsContact C-N 3.34Å; S354-C356 PolarHBondContact O-N 2.85Å; S354-L357 PolarHBondContact O-N 3.33Å; S354-A358 WeakPolarHBondContact O-CB 3.36Å; S354-A358 PolarHBondContact O-N 2.59Å |
| 355 | T | 91.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.8 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | H351 R352 A358 Q359 | H351-T355 PolarHBondContact O-N 3.2Å; H351-T355 PolarHBondContact O-OG1 3.06Å; R352-T355 PolarHBondContact O-N 3Å; T355-A358 PolarHBondContact O-N 3.01Å; T355-Q359 HydrophobicContact CG2-CG 4.39Å; T355-Q359 WeakPolarHBondContact O-CB 3.37Å; T355-Q359 VanDerWaalsContact O-CG 3.29Å; T355-Q359 WeakPolarHBondContact O-CG 3.48Å; T355-Q359 PolarHBondContact O-N 2.82Å |
| 356 | C | 91.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.4 | -70 | 0 | 0 | 0 | 0 | 112.1 | M261 R352 A353 S354 F360 | M261-C356 HydrophobicContact SD-CB 3.92Å; R352-C356 PolarHBondContact O-N 2.92Å; R352-C356 PolarHBondContact O-SG 2.94Å; R352-C356 VanDerWaalsContact O-SG 3.39Å; A353-C356 PolarHBondContact O-N 2.74Å; S354-C356 VanDerWaalsContact C-N 3.34Å; S354-C356 PolarHBondContact O-N 2.85Å; C356-F360 WeakPolarHBondContact O-CB 3.36Å; C356-F360 PolarHBondContact O-N 3.1Å |
| 357 | L | 92.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -50.3 | 174.9 | 177.7 | 63 | 0 | 0 | 0 | 111.3 | I259 V276 I278 W324 L346 A353 S354 Q359 F360 V361 L398 | I259-L357 HydrophobicContact CD1-CD2 4.48Å; V276-L357 HydrophobicContact CB-CD2 3.76Å; V276-L357 HydrophobicContact CG1-CB 4.5Å; V276-L357 HydrophobicContact CG1-CD2 3.56Å; V276-L357 HydrophobicContact CG2-CB 4.34Å; V276-L357 HydrophobicContact CG2-CD2 4.29Å; I278-L357 HydrophobicContact CG2-CD2 4.39Å; W324-L357 HydrophobicContact CE3-CD1 4.22Å; W324-L357 HydrophobicContact CZ3-CD1 3.53Å; L346-L357 HydrophobicContact CD2-CD2 4.39Å; A353-L357 PolarHBondContact O-N 2.9Å; S354-L357 PolarHBondContact O-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.41Å; L357-F360 WeakPolarHBondContact O-CB 3.2Å; L357-F360 PolarHBondContact O-N 3.24Å; L357-V361 HydrophobicContact CD1-CG2 4.17Å; L357-V361 WeakPolarHBondContact O-CG2 3.19Å; L357-V361 PolarHBondContact O-N 3.32Å; L357-L398 HydrophobicContact CD1-CD2 4.06Å; L357-L398 HydrophobicContact CD2-CD2 4.09Å; L357-L398 HydrophobicContact CG-CD2 4.27Å |
| 358 | A | 93.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 54 Ų | 54 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L346 S354 T355 F360 V361 L362 M405 | L346-A358 HydrophobicContact CD1-CB 3.83Å; S354-A358 WeakPolarHBondContact O-CB 3.36Å; S354-A358 PolarHBondContact O-N 2.59Å; T355-A358 PolarHBondContact O-N 3.01Å; A358-F360 VanDerWaalsContact C-N 3.31Å; A358-F360 PolarHBondContact O-N 3.23Å; A358-V361 PolarHBondContact O-N 2.58Å; A358-L362 HydrophobicContact CB-CD1 4.36Å; A358-L362 WeakPolarHBondContact O-CB 3.3Å; A358-L362 VanDerWaalsContact O-CG 3.26Å; A358-L362 WeakPolarHBondContact O-CG 3.21Å; A358-L362 PolarHBondContact O-N 3.37Å; A358-M405 HydrophobicContact CB-SD 4.02Å |
| 359 | Q | 92.6 | Very high | 90.5 | Very high | 133 Ų | 133 | 51.4 Ų | 51.4 | 62% | 0.621 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 177.1 | -74.8 | 178.1 | -10.7 | 0 | 0 | 112.5 | T355 L357 G363 | T355-Q359 HydrophobicContact CG2-CG 4.39Å; T355-Q359 WeakPolarHBondContact O-CB 3.37Å; T355-Q359 VanDerWaalsContact O-CG 3.29Å; T355-Q359 WeakPolarHBondContact O-CG 3.48Å; T355-Q359 PolarHBondContact O-N 2.82Å; L357-Q359 PolarHBondContact O-N 3.41Å; Q359-G363 PolarHBondContact O-N 3.35Å |
| 360 | F | 91.8 | Very high | 90.4 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 23% | 0.228 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 176.3 | -175.5 | -84.6 | 0 | 0 | 0 | 111.2 | W324 P327 C356 L357 A358 R365 V367 | W324-F360 AromaticContact CH2-CD1 3.56Å; W324-F360 HydrophobicContact CH2-CD1 3.56Å; W324-F360 HydrophobicContact CH2-CD2 4.35Å; W324-F360 AromaticContact CH2-CE1 3.49Å; W324-F360 HydrophobicContact CH2-CE1 3.49Å; W324-F360 VanDerWaalsContact CH2-CE1 3.49Å; W324-F360 HydrophobicContact CH2-CE2 4.28Å; W324-F360 AromaticContact CH2-CG 4Å; W324-F360 HydrophobicContact CH2-CG 4Å; W324-F360 AromaticContact CH2-CZ 3.88Å; W324-F360 HydrophobicContact CH2-CZ 3.88Å; W324-F360 HydrophobicContact CZ2-CD1 4.33Å; W324-F360 AromaticContact CZ2-CE1 3.83Å; W324-F360 HydrophobicContact CZ2-CE1 3.83Å; W324-F360 HydrophobicContact CZ2-CE2 4.32Å; W324-F360 AromaticContact CZ2-CZ 3.82Å; W324-F360 HydrophobicContact CZ2-CZ 3.82Å; W324-F360 HydrophobicContact CZ3-CD1 4.46Å; P327-F360 HydrophobicContact CG-CE1 4.42Å; P327-F360 HydrophobicContact CG-CZ 4.16Å; C356-F360 WeakPolarHBondContact O-CB 3.36Å; C356-F360 PolarHBondContact O-N 3.1Å; L357-F360 WeakPolarHBondContact O-CB 3.2Å; L357-F360 PolarHBondContact O-N 3.24Å; A358-F360 VanDerWaalsContact C-N 3.31Å; A358-F360 PolarHBondContact O-N 3.23Å; F360-R365 HydrophobicContact CD1-CB 3.8Å; F360-R365 HydrophobicContact CE1-CB 3.41Å; F360-R365 VanDerWaalsContact CE1-CB 3.41Å; F360-R365 HydrophobicContact CE1-CG 4.3Å; F360-R365 HydrophobicContact CZ-CB 3.87Å; F360-R365 VanDerWaalsContact CZ-CD 3.46Å; F360-R365 HydrophobicContact CZ-CG 4.32Å; F360-R365 WeakPolarHBondContact O-CB 3.21Å; F360-V367 HydrophobicContact CD1-CG2 3.79Å; F360-V367 HydrophobicContact CE1-CG2 3.64Å |
| 361 | V | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -52.7 | -177.3 | 177 | 0 | 0 | 0 | 0 | 110.9 | L357 A358 G363 G364 R365 V367 L398 T399 C400 M405 | L357-V361 HydrophobicContact CD1-CG2 4.17Å; L357-V361 WeakPolarHBondContact O-CG2 3.19Å; L357-V361 PolarHBondContact O-N 3.32Å; A358-V361 PolarHBondContact O-N 2.58Å; V361-G363 PolarHBondContact O-N 2.95Å; V361-G363 VanDerWaalsContact O-N 3.15Å; V361-G364 PolarHBondContact O-N 3.1Å; V361-R365 WeakPolarHBondContact CA-O 3.46Å; V361-R365 PolarHBondContact O-N 3.37Å; V361-V367 HydrophobicContact CG2-CG2 4.07Å; V361-L398 HydrophobicContact CG1-CG 4.42Å; V361-L398 HydrophobicContact CG2-CD2 3.89Å; V361-L398 HydrophobicContact CG2-CG 4.04Å; V361-T399 VanDerWaalsContact CG1-C 3.44Å; V361-C400 HydrophobicContact CG1-CB 4.16Å; V361-C400 PolarHBondContact O-SG 2.92Å; V361-M405 HydrophobicContact CB-CE 4.14Å; V361-M405 HydrophobicContact CG1-CE 4.19Å; V361-M405 HydrophobicContact CG1-CG 4.04Å; V361-M405 HydrophobicContact CG2-CE 4.27Å |
| 362 | L | 93.6 | Very high | 89.1 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 41% | 0.414 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -19.1 | 178.2 | -65.9 | 173.2 | 0 | 0 | 0 | 113.2 | A358 G364 C400 S403 M405 | A358-L362 HydrophobicContact CB-CD1 4.36Å; A358-L362 WeakPolarHBondContact O-CB 3.3Å; A358-L362 VanDerWaalsContact O-CG 3.26Å; A358-L362 WeakPolarHBondContact O-CG 3.21Å; A358-L362 PolarHBondContact O-N 3.37Å; L362-G364 PolarHBondContact O-N 2.85Å; L362-C400 HydrophobicContact CD2-CB 4.09Å; L362-S403 WeakPolarHBondContact CD2-O 3.45Å; L362-M405 HydrophobicContact CD2-CG 3.8Å; L362-M405 HydrophobicContact CG-CG 4.07Å; L362-M405 HydrophobicContact CG-SD 4.32Å |
| 363 | G | 91.7 | Very high | 87.9 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 66% | 0.66 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 3.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q359 V361 | Q359-G363 PolarHBondContact O-N 3.35Å; V361-G363 PolarHBondContact O-N 2.95Å; V361-G363 VanDerWaalsContact O-N 3.15Å |
| 364 | G | 87.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 10.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V361 L362 | V361-G364 PolarHBondContact O-N 3.1Å; L362-G364 PolarHBondContact O-N 2.85Å |
| 365 | R | 88.8 | Confident | 84.7 | Confident | 154 Ų | 154 | 56.4 Ų | 56.4 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | trans | -94.9 | 148.3 | 176.4 | -59.4 | -177.5 | 176 | -174.8 | -1.6 | 110.2 | F360 V361 | F360-R365 HydrophobicContact CD1-CB 3.8Å; F360-R365 HydrophobicContact CE1-CB 3.41Å; F360-R365 VanDerWaalsContact CE1-CB 3.41Å; F360-R365 HydrophobicContact CE1-CG 4.3Å; F360-R365 HydrophobicContact CZ-CB 3.87Å; F360-R365 VanDerWaalsContact CZ-CD 3.46Å; F360-R365 HydrophobicContact CZ-CG 4.32Å; F360-R365 WeakPolarHBondContact O-CB 3.21Å; V361-R365 WeakPolarHBondContact CA-O 3.46Å; V361-R365 PolarHBondContact O-N 3.37Å | ||
| 366 | S | 91.3 | Very high | 82.4 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | trans | -110.2 | 149.5 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | P327 L398 T399 | P327-S366 WeakPolarHBondContact CG-O 3.27Å; S366-L398 CarbonylContact C-O 3.5Å; S366-L398 WeakPolarHBondContact CA-O 3.45Å; S366-T399 WeakPolarHBondContact OG-CB 3.48Å; S366-T399 PolarHBondContact OG-OG1 3.22Å | ||
| 367 | V | 91.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 111.2 | -177.3 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | W324 F360 V361 L369 L397 L398 | W324-V367 HydrophobicContact CD2-CG1 3.46Å; W324-V367 VanDerWaalsContact CD2-CG1 3.46Å; W324-V367 HydrophobicContact CE3-CB 4.2Å; W324-V367 HydrophobicContact CE3-CG1 3.21Å; W324-V367 HydrophobicContact CE3-CG2 3.96Å; W324-V367 HydrophobicContact CG-CG1 4.15Å; W324-V367 HydrophobicContact CH2-CB 4.24Å; W324-V367 HydrophobicContact CH2-CG1 4Å; W324-V367 HydrophobicContact CH2-CG2 3.22Å; W324-V367 HydrophobicContact CZ2-CG1 4.19Å; W324-V367 HydrophobicContact CZ2-CG2 3.87Å; W324-V367 HydrophobicContact CZ3-CB 4Å; W324-V367 HydrophobicContact CZ3-CG1 3.51Å; W324-V367 HydrophobicContact CZ3-CG2 3.27Å; F360-V367 HydrophobicContact CD1-CG2 3.79Å; F360-V367 HydrophobicContact CE1-CG2 3.64Å; V361-V367 HydrophobicContact CG2-CG2 4.07Å; V367-L369 HydrophobicContact CG1-CD2 3.83Å; V367-L397 WeakPolarHBondContact O-CA 3.16Å; V367-L398 HydrophobicContact CB-CB 4.29Å; V367-L398 PolarHBondContact N-O 3.37Å; V367-L398 PolarHBondContact O-N 3.15Å |
| 368 | A | 92.1 | Very high | 78.1 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V325 E394 L397 | V325-A368 HydrophobicContact CB-CB 4.12Å; V325-A368 WeakPolarHBondContact CB-O 3.07Å; V325-A368 HydrophobicContact CG2-CB 4.45Å; V325-A368 PolarHBondContact N-O 3.19Å; A368-E394 HydrophobicContact CB-CG 3.93Å; A368-E394 WeakPolarHBondContact CB-OE1 2.98Å; A368-L397 HydrophobicContact CB-CD1 4.38Å |
| 369 | L | 93.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.4 | -178.9 | -58.7 | 176.9 | 0 | 0 | 0 | 108.4 | V256 I322 K323 V367 A395 L396 L398 | V256-L369 HydrophobicContact CG1-CD2 3.73Å; V256-L369 HydrophobicContact CG2-CD1 4.25Å; V256-L369 HydrophobicContact CG2-CD2 4.31Å; I322-L369 HydrophobicContact CD1-CB 3.72Å; I322-L369 HydrophobicContact CG1-CB 3.9Å; I322-L369 HydrophobicContact CG2-CB 3.92Å; I322-L369 HydrophobicContact CG2-CD1 3.88Å; I322-L369 HydrophobicContact CG2-CD2 4.43Å; I322-L369 HydrophobicContact CG2-CG 4.3Å; K323-L369 WeakPolarHBondContact O-CA 3.43Å; V367-L369 HydrophobicContact CG1-CD2 3.83Å; L369-A395 PolarHBondContact O-N 2.99Å; L369-L396 HydrophobicContact CB-CB 4.07Å; L369-L396 HydrophobicContact CD1-CB 4.16Å; L369-L396 PolarHBondContact N-O 2.98Å; L369-L396 PolarHBondContact O-N 2.84Å; L369-L398 HydrophobicContact CD1-CB 4.33Å |
| 370 | A | 87.5 | Confident | 73.2 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I322 K323 V325 R372 D393 | I322-A370 WeakPolarHBondContact CG1-O 3.4Å; K323-A370 PolarHBondContact N-O 2.95Å; K323-A370 PolarHBondContact O-N 2.89Å; V325-A370 HydrophobicContact CG2-CB 3.43Å; V325-A370 VanDerWaalsContact CG2-CB 3.43Å; A370-R372 HydrophobicContact CB-CG 4.49Å; A370-D393 CarbonylContact C-O 2.86Å; A370-D393 WeakPolarHBondContact CA-O 3.07Å; A370-D393 HydrophobicContact CB-CB 4.31Å; A370-D393 VanDerWaalsContact CB-O 3.29Å; A370-D393 WeakPolarHBondContact CB-O 3.31Å |
| 371 | H | 77.1 | Confident | 70.6 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 9% | 0.093 | 43% | 0.427 | C | S | . | . | trans | -79.2 | -22.9 | 175.5 | 62.1 | 51 | 0 | 0 | 0 | 112.4 | L297 L373 D393 | L297-H371 HydrophobicContact CD1-CB 4.45Å; L297-H371 HydrophobicContact CD2-CB 3.68Å; L297-H371 HydrophobicContact CG-CB 4.46Å; H371-L373 HydrophobicContact CB-CD1 3.96Å; H371-L373 HydrophobicContact CB-CG 4.13Å; H371-L373 PolarHBondContact CE1-O 3.12Å; H371-L373 WeakPolarHBondContact ND1-CB 3.48Å; H371-L373 PolarHBondContact ND1-N 3.23Å; H371-L373 PolarHBondContact ND1-O 3.39Å; H371-L373 WeakPolarHBondContact O-CG 3.18Å; H371-L373 PolarHBondContact O-N 3.12Å; H371-D393 IonicContact CE1-OD1 3.97Å; H371-D393 PolarHBondContact N-O 3.15Å | ||
| 372 | R | 69.8 | Low | 67.9 | Low | 148 Ų | 148 | 82.2 Ų | 82.2 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | trans | 49.9 | 34.9 | -174.4 | -59.4 | -164.2 | -172.8 | -177.8 | 6.5 | 114.2 | K323 A370 D393 | K323-R372 HydrophobicContact CD-CG 4.34Å; A370-R372 HydrophobicContact CB-CG 4.49Å; R372-D393 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 373 | L | 59.4 | Low | 65.1 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | trans | -108.5 | 125.8 | -177.1 | -63.2 | 167.8 | 0 | 0 | 0 | 104.9 | K296 L297 H371 F375 | K296-L373 HydrophobicContact CB-CD1 3.42Å; K296-L373 VanDerWaalsContact CB-CD1 3.42Å; K296-L373 HydrophobicContact CD-CD1 3.69Å; K296-L373 HydrophobicContact CG-CD1 4.21Å; L297-L373 HydrophobicContact CD2-CD1 4.46Å; H371-L373 HydrophobicContact CB-CD1 3.96Å; H371-L373 HydrophobicContact CB-CG 4.13Å; H371-L373 PolarHBondContact CE1-O 3.12Å; H371-L373 WeakPolarHBondContact ND1-CB 3.48Å; H371-L373 PolarHBondContact ND1-N 3.23Å; H371-L373 PolarHBondContact ND1-O 3.39Å; H371-L373 WeakPolarHBondContact O-CG 3.18Å; H371-L373 PolarHBondContact O-N 3.12Å; L373-F375 PolarHBondContact O-N 2.72Å | ||
| 374 | Q | 55.1 | Low | 62.6 | Low | 187 Ų | 187 | 85.4 Ų | 85.4 | 87% | 0.874 | 48% | 0.475 | S | S | * | . | trans | -60.4 | 111.3 | 175.7 | -74 | 178.8 | -8.2 | 0 | 0 | 109 | ||||
| 375 | F | 53.2 | Low | 60.2 | Low | 80 Ų | 80 | 90.2 Ų | 90.2 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | trans | -98.6 | 114.2 | 172.3 | -128.7 | -90.9 | 0 | 0 | 0 | 108.9 | I293 L373 F377 | I293-F375 HydrophobicContact CG2-CD2 4.17Å; I293-F375 HydrophobicContact CG2-CE2 3.46Å; I293-F375 VanDerWaalsContact CG2-CE2 3.46Å; I293-F375 HydrophobicContact CG2-CZ 4.26Å; L373-F375 PolarHBondContact O-N 2.72Å; F375-F377 VanDerWaalsContact C-N 3.32Å; F375-F377 HydrophobicContact CB-CE2 4.33Å; F375-F377 PolarHBondContact O-N 2.84Å | ||
| 376 | S | 44.6 | Very low | 57.9 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | trans | -74.9 | 88.6 | 166.7 | -38.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 377 | F | 48.9 | Very low | 55.4 | Low | 115 Ų | 115 | 94.1 Ų | 94.1 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | trans | -62.2 | 139.1 | 160.4 | -74.6 | -78.3 | 0 | 0 | 0 | 107.6 | F375 A379 P415 | F375-F377 VanDerWaalsContact C-N 3.32Å; F375-F377 HydrophobicContact CB-CE2 4.33Å; F375-F377 PolarHBondContact O-N 2.84Å; F377-A379 PolarHBondContact O-N 2.82Å; F377-P415 HydrophobicContact CE1-CG 4.06Å | ||
| 378 | P | 43 | Very low | 52.7 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 55% | 0.546 | S | S | * | . | trans | -55.8 | 113.9 | 162.9 | 23 | -28.4 | 0 | 0 | 0 | 105.8 | L380 | P378-L380 PolarHBondContact O-N 3.04Š| ||
| 379 | A | 40.4 | Very low | 50.1 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 76% | 0.76 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 118.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | F377 | F377-A379 PolarHBondContact O-N 2.82Š|
| 380 | L | 42.1 | Very low | 47.8 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 147.3 | 164.3 | -87.8 | 105.9 | 0 | 0 | 0 | 107.7 | P378 N382 | P378-L380 PolarHBondContact O-N 3.04Å; L380-N382 PolarHBondContact O-N 2.8Å; L380-N382 VanDerWaalsContact O-N 3.09Å |
| 381 | P | 38.6 | Very low | 45.9 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 123.2 | 175.2 | -19.3 | 29.7 | 0 | 0 | 0 | 108.8 | D383 | P381-D383 PolarHBondContact O-N 2.98Š|
| 382 | N | 36.1 | Very low | 45.2 | Very low | 159 Ų | 159 | 115 Ų | 115 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | trans | -69.1 | 64.5 | -178 | -96.1 | -13.4 | 0 | 0 | 0 | 111.2 | L380 | L380-N382 PolarHBondContact O-N 2.8Å; L380-N382 VanDerWaalsContact O-N 3.09Å | ||
| 383 | D | 35.8 | Very low | 45.6 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | -113.7 | 60.6 | 172 | -73.8 | -26.5 | 0 | 0 | 0 | 109.4 | P381 | P381-D383 PolarHBondContact O-N 2.98Š| ||
| 384 | S | 38 | Very low | 46.9 | Very low | 61 Ų | 61 | 109.2 Ų | 109.2 | 43% | 0.427 | 63% | 0.626 | S | S | . | * | trans | 173.3 | 117.7 | 147 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | F386 | S384-F386 PolarHBondContact O-N 2.99Š| ||
| 385 | N | 37.3 | Very low | 48.5 | Very low | 158 Ų | 158 | 100.3 Ų | 100.3 | 85% | 0.845 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 34.1 | 174.4 | -78.6 | -26 | 0 | 0 | 0 | 114.5 | ||
| 386 | F | 39.7 | Very low | 50.5 | Low | 185 Ų | 185 | 96.6 Ų | 96.6 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | -7.5 | -179.4 | -89 | -82.6 | 0 | 0 | 0 | 115 | S384 | S384-F386 PolarHBondContact O-N 2.99Š|
| 387 | L | 39.2 | Very low | 52.8 | Low | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | trans | -105.3 | 21.4 | -177.3 | -72.1 | 172.5 | 0 | 0 | 0 | 114.7 | S389 | L387-S389 PolarHBondContact O-N 3.21Š| ||
| 388 | T | 35.8 | Very low | 55.1 | Low | 133 Ų | 133 | 86.5 Ų | 86.5 | 82% | 0.816 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 21.8 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 389 | S | 38.2 | Very low | 57.5 | Low | 106 Ų | 106 | 81.6 Ų | 81.6 | 74% | 0.741 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | 0.7 | -172.3 | 66.2 | 0 | 0 | 0 | 0 | 117.6 | L387 | L387-S389 PolarHBondContact O-N 3.21Š|
| 390 | C | 43.1 | Very low | 60.1 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 47% | 0.473 | 45% | 0.449 | S | S | . | . | trans | -123.8 | 44.4 | -174.9 | -139.7 | 0 | 0 | 0 | 0 | 114.4 | T392 | C390-T392 PolarHBondContact O-N 3.29Š| ||
| 391 | S | 49.6 | Very low | 62.5 | Low | 114 Ų | 114 | 77 Ų | 77 | 80% | 0.797 | 44% | 0.44 | S | S | * | . | trans | -82.4 | 69.1 | 154.6 | 68.6 | 0 | 0 | 0 | 0 | 108.3 | D393 | S391-D393 PolarHBondContact O-N 2.81Š| ||
| 392 | T | 61.3 | Low | 64.9 | Low | 44 Ų | 44 | 74.7 Ų | 74.7 | 27% | 0.27 | 44% | 0.436 | S | S | . | . | trans | -87 | 108.2 | 172 | 53.7 | 0 | 0 | 0 | 0 | 107.8 | C390 E394 T412 | C390-T392 PolarHBondContact O-N 3.29Å; T392-E394 PolarHBondContact O-N 3.44Å; T392-T412 VanDerWaalsContact OG1-CG2 3.28Å; T392-T412 WeakPolarHBondContact OG1-CG2 3.47Å | ||
| 393 | D | 77.4 | Confident | 67.4 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | trans | -63.5 | 11.4 | 168.7 | -69.2 | -16.4 | 0 | 0 | 0 | 112.7 | A370 H371 R372 S391 A395 | A370-D393 CarbonylContact C-O 2.86Å; A370-D393 WeakPolarHBondContact CA-O 3.07Å; A370-D393 HydrophobicContact CB-CB 4.31Å; A370-D393 VanDerWaalsContact CB-O 3.29Å; A370-D393 WeakPolarHBondContact CB-O 3.31Å; H371-D393 IonicContact CE1-OD1 3.97Å; H371-D393 PolarHBondContact N-O 3.15Å; R372-D393 WeakPolarHBondContact CA-OD2 3.41Å; S391-D393 PolarHBondContact O-N 2.81Å; D393-A395 PolarHBondContact O-N 3.18Å | ||
| 394 | E | 86.7 | Confident | 70.2 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 10% | 0.098 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 120.4 | 175.9 | -63.1 | -178.8 | 167.2 | 0 | 0 | 108.1 | R336 A368 T392 L410 T412 | R336-E394 IonicContact CZ-OE1 2.8Å; R336-E394 IonicContact CZ-OE2 2.9Å; R336-E394 IonicContact NE-OE1 3.49Å; R336-E394 IonicContact NE-OE2 2.85Å; R336-E394 PolarHBondContact NE-OE2 3.04Å; R336-E394 IonicContact NH2-OE1 3.77Å; R336-E394 PolarHBondContact NH2-OE1 3.29Å; R336-E394 IonicContact NH2-OE2 3.16Å; R336-E394 PolarHBondContact NH2-OE2 3Å; A368-E394 HydrophobicContact CB-CG 3.93Å; A368-E394 WeakPolarHBondContact CB-OE1 2.98Å; T392-E394 PolarHBondContact O-N 3.44Å; E394-L410 HydrophobicContact CB-CD1 3.79Å; E394-T412 WeakPolarHBondContact O-CB 3.16Å; E394-T412 PolarHBondContact O-OG1 2.9Å |
| 395 | A | 89.6 | Confident | 73 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -33.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L288 I293 I322 L369 D393 L410 I413 | L288-A395 HydrophobicContact CD2-CB 4.15Å; I293-A395 HydrophobicContact CD1-CB 4.25Å; I322-A395 HydrophobicContact CD1-CB 4.16Å; L369-A395 PolarHBondContact O-N 2.99Å; D393-A395 PolarHBondContact O-N 3.18Å; A395-L410 WeakPolarHBondContact O-CB 3.37Å; A395-L410 PolarHBondContact O-N 3.46Å; A395-I413 HydrophobicContact CB-CG2 3.71Å |
| 396 | L | 94.1 | Very high | 75.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.9 | -175.3 | -49.1 | 167.8 | 0 | 0 | 0 | 110.4 | V284 L288 I322 L369 I407 H408 V409 | V284-L396 HydrophobicContact CG1-CD1 4.34Å; V284-L396 HydrophobicContact CG1-CD2 3.87Å; L288-L396 HydrophobicContact CD1-CD1 4.21Å; L288-L396 HydrophobicContact CD2-CD2 4.15Å; I322-L396 HydrophobicContact CD1-CB 4.48Å; I322-L396 HydrophobicContact CD1-CD1 3.85Å; I322-L396 HydrophobicContact CD1-CG 4.08Å; L369-L396 HydrophobicContact CB-CB 4.07Å; L369-L396 HydrophobicContact CD1-CB 4.16Å; L369-L396 PolarHBondContact N-O 2.98Å; L369-L396 PolarHBondContact O-N 2.84Å; L396-I407 HydrophobicContact CB-CD1 4.3Å; L396-I407 HydrophobicContact CB-CG1 4.14Å; L396-I407 HydrophobicContact CD1-CD1 3.75Å; L396-I407 HydrophobicContact CD1-CG1 4.41Å; L396-I407 HydrophobicContact CG-CD1 4.44Å; L396-H408 CarbonylContact C-O 3.58Å; L396-H408 WeakPolarHBondContact CA-O 3.43Å; L396-V409 HydrophobicContact CD2-CB 4.37Å; L396-V409 HydrophobicContact CD2-CG1 4.36Å; L396-V409 HydrophobicContact CD2-CG2 4.06Å |
| 397 | L | 94.5 | Very high | 78.7 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120.6 | 172.7 | 175.1 | 79.1 | 0 | 0 | 0 | 109 | R336 V367 A368 H408 L410 | R336-L397 HydrophobicContact CB-CD2 4.45Å; V367-L397 WeakPolarHBondContact O-CA 3.16Å; A368-L397 HydrophobicContact CB-CD1 4.38Å; L397-H408 HydrophobicContact CB-CB 4.11Å; L397-H408 PolarHBondContact N-O 3.36Å; L397-H408 PolarHBondContact O-N 3Å; L397-L410 HydrophobicContact CB-CD1 4.36Å; L397-L410 HydrophobicContact CB-CD2 3.84Å; L397-L410 HydrophobicContact CB-CG 4.29Å |
| 398 | L | 96.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.2 | 171.8 | -176.2 | 69 | 0 | 0 | 0 | 108.8 | I278 V344 L357 V361 S366 V367 L369 M405 Y406 | I278-L398 HydrophobicContact CD1-CD1 4.5Å; V344-L398 HydrophobicContact CG1-CD1 4.41Å; V344-L398 HydrophobicContact CG2-CD1 4.24Å; L357-L398 HydrophobicContact CD1-CD2 4.06Å; L357-L398 HydrophobicContact CD2-CD2 4.09Å; L357-L398 HydrophobicContact CG-CD2 4.27Å; V361-L398 HydrophobicContact CG1-CG 4.42Å; V361-L398 HydrophobicContact CG2-CD2 3.89Å; V361-L398 HydrophobicContact CG2-CG 4.04Å; S366-L398 CarbonylContact C-O 3.5Å; S366-L398 WeakPolarHBondContact CA-O 3.45Å; V367-L398 HydrophobicContact CB-CB 4.29Å; V367-L398 PolarHBondContact N-O 3.37Å; V367-L398 PolarHBondContact O-N 3.15Å; L369-L398 HydrophobicContact CD1-CB 4.33Å; L398-M405 HydrophobicContact CD1-CE 4.01Å; L398-M405 HydrophobicContact CD2-CE 4.01Å; L398-M405 HydrophobicContact CG-CE 4.23Å; L398-Y406 WeakPolarHBondContact CA-O 3.35Å |
| 399 | T | 94.6 | Very high | 84.1 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 175.3 | -177.2 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | V361 S366 M405 Y406 | V361-T399 VanDerWaalsContact CG1-C 3.44Å; S366-T399 WeakPolarHBondContact OG-CB 3.48Å; S366-T399 PolarHBondContact OG-OG1 3.22Å; T399-M405 WeakPolarHBondContact O-CA 3.41Å; T399-Y406 PolarHBondContact N-O 2.84Å; T399-Y406 PolarHBondContact O-N 2.87Å |
| 400 | C | 94.5 | Very high | 86.6 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.7 | 172.7 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | V361 L362 V404 | V361-C400 HydrophobicContact CG1-CB 4.16Å; V361-C400 PolarHBondContact O-SG 2.92Å; L362-C400 HydrophobicContact CD2-CB 4.09Å; C400-V404 CarbonylContact C-O 3.45Å; C400-V404 WeakPolarHBondContact CA-O 3.28Å; C400-V404 WeakPolarHBondContact CB-O 3.42Å |
| 401 | H | 92.7 | Very high | 88.5 | Confident | 101 Ų | 101 | 33.1 Ų | 33.1 | 47% | 0.468 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 107.3 | 166.4 | -63.1 | -75.6 | 0 | 0 | 0 | 107.8 | S403 V404 Y406 H408 | H401-S403 PolarHBondContact O-N 3.02Å; H401-V404 PolarHBondContact N-O 3.26Å; H401-V404 PolarHBondContact O-N 3.17Å; H401-Y406 HydrophobicContact CB-CD2 4.09Å; H401-Y406 HydrophobicContact CB-CE2 3.85Å; H401-Y406 AromaticContact CD2-CD2 3.5Å; H401-Y406 AromaticContact CD2-CE2 3.99Å; H401-Y406 AromaticContact CD2-CG 3.83Å; H401-H408 AromaticContact CD2-NE2 3.73Å; H401-H408 AromaticContact NE2-CE1 3.36Å; H401-H408 PolarHBondContact NE2-CE1 3.39Å; H401-H408 AromaticContact NE2-NE2 2.95Å; H401-H408 PolarHBondContact NE2-NE2 3.43Å |
| 402 | G | 89 | Confident | 89.8 | Confident | 63 Ų | 63 | 29.9 Ų | 29.9 | 65% | 0.649 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -128.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 403 | S | 88.8 | Confident | 90.5 | Very high | 100 Ų | 100 | 28.6 Ų | 28.6 | 70% | 0.699 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 12.5 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 114 | L362 H401 | L362-S403 WeakPolarHBondContact CD2-O 3.45Å; H401-S403 PolarHBondContact O-N 3.02Å |
| 404 | V | 94.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 26% | 0.261 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.7 | -174.1 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | R343 C400 H401 Y406 | R343-V404 HydrophobicContact CG-CG1 3.96Å; C400-V404 CarbonylContact C-O 3.45Å; C400-V404 WeakPolarHBondContact CA-O 3.28Å; C400-V404 WeakPolarHBondContact CB-O 3.42Å; H401-V404 PolarHBondContact N-O 3.26Å; H401-V404 PolarHBondContact O-N 3.17Å; V404-Y406 HydrophobicContact CB-CD2 4.46Å; V404-Y406 HydrophobicContact CB-CE2 3.72Å; V404-Y406 HydrophobicContact CG1-CD2 4.23Å; V404-Y406 HydrophobicContact CG1-CE2 3.58Å; V404-Y406 VanDerWaalsContact O-CD2 3.29Å; V404-Y406 WeakPolarHBondContact O-CD2 3.33Å |
| 405 | M | 97 | Very high | 88.7 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.9 | 177.2 | -67.8 | 176.8 | 58.9 | 0 | 0 | 111.3 | R343 V344 A358 V361 L362 L398 T399 | R343-M405 WeakPolarHBondContact CA-O 3.19Å; V344-M405 HydrophobicContact CB-CB 4.47Å; V344-M405 PolarHBondContact N-O 3.48Å; A358-M405 HydrophobicContact CB-SD 4.02Å; V361-M405 HydrophobicContact CB-CE 4.14Å; V361-M405 HydrophobicContact CG1-CE 4.19Å; V361-M405 HydrophobicContact CG1-CG 4.04Å; V361-M405 HydrophobicContact CG2-CE 4.27Å; L362-M405 HydrophobicContact CD2-CG 3.8Å; L362-M405 HydrophobicContact CG-CG 4.07Å; L362-M405 HydrophobicContact CG-SD 4.32Å; L398-M405 HydrophobicContact CD1-CE 4.01Å; L398-M405 HydrophobicContact CD2-CE 4.01Å; L398-M405 HydrophobicContact CG-CE 4.23Å; T399-M405 WeakPolarHBondContact O-CA 3.41Å |
| 406 | Y | 98 | Very high | 87 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143 | 179.7 | -70.2 | -99 | 0 | 0 | 0 | 111.3 | Y342 R343 L398 T399 H401 V404 | Y342-Y406 CarbonylContact O-C 3.57Å; Y342-Y406 WeakPolarHBondContact O-CA 3.42Å; R343-Y406 HydrophobicContact CB-CE1 4.45Å; R343-Y406 HydrophobicContact CG-CD1 4.04Å; R343-Y406 HydrophobicContact CG-CE1 3.43Å; R343-Y406 VanDerWaalsContact CG-CE1 3.43Å; R343-Y406 PolarHBondContact NE-OH 2.98Å; L398-Y406 WeakPolarHBondContact CA-O 3.35Å; T399-Y406 PolarHBondContact N-O 2.84Å; T399-Y406 PolarHBondContact O-N 2.87Å; H401-Y406 HydrophobicContact CB-CD2 4.09Å; H401-Y406 HydrophobicContact CB-CE2 3.85Å; H401-Y406 AromaticContact CD2-CD2 3.5Å; H401-Y406 AromaticContact CD2-CE2 3.99Å; H401-Y406 AromaticContact CD2-CG 3.83Å; V404-Y406 HydrophobicContact CB-CD2 4.46Å; V404-Y406 HydrophobicContact CB-CE2 3.72Å; V404-Y406 HydrophobicContact CG1-CD2 4.23Å; V404-Y406 HydrophobicContact CG1-CE2 3.58Å; V404-Y406 VanDerWaalsContact O-CD2 3.29Å; V404-Y406 WeakPolarHBondContact O-CD2 3.33Å |
| 407 | I | 98 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.9 | 165.2 | -166.3 | 162.3 | 0 | 0 | 0 | 108.7 | I278 H280 V284 T341 Y342 V344 L396 | I278-I407 HydrophobicContact CD1-CD1 3.98Å; H280-I407 HydrophobicContact CB-CG2 4.1Å; V284-I407 HydrophobicContact CG1-CD1 4.35Å; V284-I407 HydrophobicContact CG2-CG2 3.8Å; T341-I407 WeakPolarHBondContact CA-O 3.49Å; Y342-I407 PolarHBondContact N-O 3.06Å; Y342-I407 PolarHBondContact O-N 2.79Å; V344-I407 HydrophobicContact CG2-CB 3.44Å; V344-I407 VanDerWaalsContact CG2-CB 3.44Å; V344-I407 HydrophobicContact CG2-CG2 3.47Å; V344-I407 VanDerWaalsContact CG2-CG2 3.47Å; V344-I407 VanDerWaalsContact CG2-N 3.28Å; L396-I407 HydrophobicContact CB-CD1 4.3Å; L396-I407 HydrophobicContact CB-CG1 4.14Å; L396-I407 HydrophobicContact CD1-CD1 3.75Å; L396-I407 HydrophobicContact CD1-CG1 4.41Å; L396-I407 HydrophobicContact CG-CD1 4.44Å |
| 408 | H | 95.4 | Very high | 82.6 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.111 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.6 | 176.2 | -73.1 | -116.8 | 0 | 0 | 0 | 109.2 | A338 A340 T341 L396 L397 H401 | A338-H408 HydrophobicContact CB-CB 3.97Å; A340-H408 WeakPolarHBondContact O-CA 3.41Å; T341-H408 PolarHBondContact OG1-CD2 3.1Å; T341-H408 PolarHBondContact OG1-CE1 2.87Å; T341-H408 PolarHBondContact OG1-NE2 3.06Å; T341-H408 VanDerWaalsContact OG1-NE2 3.1Å; L396-H408 CarbonylContact C-O 3.58Å; L396-H408 WeakPolarHBondContact CA-O 3.43Å; L397-H408 HydrophobicContact CB-CB 4.11Å; L397-H408 PolarHBondContact N-O 3.36Å; L397-H408 PolarHBondContact O-N 3Å; H401-H408 AromaticContact CD2-NE2 3.73Å; H401-H408 AromaticContact NE2-CE1 3.36Å; H401-H408 PolarHBondContact NE2-CE1 3.39Å; H401-H408 AromaticContact NE2-NE2 2.95Å; H401-H408 PolarHBondContact NE2-NE2 3.43Å |
| 409 | V | 93.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 117.2 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | V284 M287 A338 V339 A340 Y342 L396 I413 F414 | V284-V409 HydrophobicContact CB-CG2 4.42Å; V284-V409 HydrophobicContact CG1-CG2 4.14Å; V284-V409 HydrophobicContact CG2-CG2 4.22Å; M287-V409 HydrophobicContact CB-CG1 4.17Å; M287-V409 HydrophobicContact CE-CB 4.19Å; M287-V409 HydrophobicContact CE-CG1 3.87Å; M287-V409 HydrophobicContact SD-CB 4.18Å; M287-V409 HydrophobicContact SD-CG1 4.1Å; M287-V409 HydrophobicContact SD-CG2 3.97Å; A338-V409 CarbonylContact C-O 3.52Å; A338-V409 VanDerWaalsContact CA-O 3.28Å; A338-V409 WeakPolarHBondContact CA-O 3.31Å; V339-V409 HydrophobicContact CG2-CB 4.05Å; V339-V409 HydrophobicContact CG2-CG1 3.88Å; V339-V409 VanDerWaalsContact CG2-O 3.27Å; V339-V409 WeakPolarHBondContact CG2-O 3.42Å; V339-V409 PolarHBondContact N-O 3.2Å; A340-V409 HydrophobicContact CB-CB 4.22Å; A340-V409 HydrophobicContact CB-CG2 4.24Å; A340-V409 PolarHBondContact O-N 2.88Å; Y342-V409 HydrophobicContact CE2-CG2 4.4Å; L396-V409 HydrophobicContact CD2-CB 4.37Å; L396-V409 HydrophobicContact CD2-CG1 4.36Å; L396-V409 HydrophobicContact CD2-CG2 4.06Å; V409-I413 HydrophobicContact CG1-CD1 3.77Å; V409-F414 HydrophobicContact CG1-CE2 3.88Å |
| 410 | L | 90 | Very high | 78 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 149.3 | -173.3 | -60.9 | -176.9 | 0 | 0 | 0 | 111.8 | R336 A338 E394 A395 L397 T412 I413 | R336-L410 HydrophobicContact CB-CD2 3.86Å; A338-L410 HydrophobicContact CB-CD2 4.5Å; E394-L410 HydrophobicContact CB-CD1 3.79Å; A395-L410 WeakPolarHBondContact O-CB 3.37Å; A395-L410 PolarHBondContact O-N 3.46Å; L397-L410 HydrophobicContact CB-CD1 4.36Å; L397-L410 HydrophobicContact CB-CD2 3.84Å; L397-L410 HydrophobicContact CB-CG 4.29Å; L410-T412 VanDerWaalsContact CB-OG1 3.26Å; L410-T412 WeakPolarHBondContact CB-OG1 3.06Å; L410-T412 PolarHBondContact O-N 3.28Å; L410-I413 WeakPolarHBondContact O-CG1 3.26Å |
| 411 | A | 83.6 | Confident | 75.7 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -73.7 | -10 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F337 V339 I413 F414 | F337-A411 HydrophobicContact CB-CB 4.05Å; F337-A411 HydrophobicContact CD1-CB 3.09Å; F337-A411 HydrophobicContact CE1-CB 3.64Å; F337-A411 HydrophobicContact CG-CB 3.79Å; F337-A411 WeakPolarHBondContact O-CB 3.44Å; F337-A411 PolarHBondContact O-N 2.78Å; V339-A411 HydrophobicContact CG1-CB 3.9Å; A411-I413 PolarHBondContact O-N 3.29Å; A411-F414 CarbonylContact O-C 3.58Å; A411-F414 WeakPolarHBondContact O-CA 3.45Å; A411-F414 PolarHBondContact O-N 3.16Å |
| 412 | T | 76.1 | Confident | 73.6 | Confident | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -56.5 | -30.8 | 173.1 | 42.3 | 0 | 0 | 0 | 0 | 112.5 | T392 E394 L410 | T392-T412 VanDerWaalsContact OG1-CG2 3.28Å; T392-T412 WeakPolarHBondContact OG1-CG2 3.47Å; E394-T412 WeakPolarHBondContact O-CB 3.16Å; E394-T412 PolarHBondContact O-OG1 2.9Å; L410-T412 VanDerWaalsContact CB-OG1 3.26Å; L410-T412 WeakPolarHBondContact CB-OG1 3.06Å; L410-T412 PolarHBondContact O-N 3.28Å |
| 413 | I | 76 | Confident | 71.5 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.087 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -87.1 | -10.8 | 172.2 | 57.8 | 161 | 0 | 0 | 0 | 113.2 | L288 R291 I293 A395 V409 L410 A411 | L288-I413 HydrophobicContact CD2-CD1 3.74Å; R291-I413 WeakPolarHBondContact CD-O 3.4Å; R291-I413 HydrophobicContact CG-CB 4.38Å; R291-I413 VanDerWaalsContact CG-O 3.3Å; R291-I413 WeakPolarHBondContact CG-O 3.44Å; R291-I413 PolarHBondContact NE-O 2.85Å; I293-I413 HydrophobicContact CD1-CD1 4.42Å; I293-I413 HydrophobicContact CD1-CG2 3.89Å; A395-I413 HydrophobicContact CB-CG2 3.71Å; V409-I413 HydrophobicContact CG1-CD1 3.77Å; L410-I413 WeakPolarHBondContact O-CG1 3.26Å; A411-I413 PolarHBondContact O-N 3.29Å |
| 414 | F | 70.1 | Confident | 69.7 | Low | 32 Ų | 32 | 68.7 Ų | 68.7 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -120.7 | 82.4 | 171.7 | -60.7 | -97.2 | 0 | 0 | 0 | 108.5 | M287 R291 V339 V409 A411 M416 | M287-F414 HydrophobicContact CB-CE2 4.28Å; M287-F414 HydrophobicContact CB-CZ 3.84Å; M287-F414 HydrophobicContact CE-CE2 3.71Å; M287-F414 HydrophobicContact CE-CZ 3.73Å; M287-F414 HydrophobicContact CG-CZ 4.23Å; R291-F414 HydrophobicContact CG-CE1 4.09Å; R291-F414 HydrophobicContact CG-CE2 4.43Å; R291-F414 HydrophobicContact CG-CZ 4Å; R291-F414 VanDerWaalsContact CZ-CD1 3.45Å; R291-F414 VanDerWaalsContact NE-CE1 3.31Å; V339-F414 HydrophobicContact CB-CD2 4.49Å; V339-F414 HydrophobicContact CG1-CB 4.36Å; V339-F414 HydrophobicContact CG1-CD2 4.32Å; V339-F414 HydrophobicContact CG1-CG 4.48Å; V339-F414 HydrophobicContact CG2-CD2 3.54Å; V339-F414 HydrophobicContact CG2-CE2 3.74Å; V339-F414 HydrophobicContact CG2-CG 4.37Å; V409-F414 HydrophobicContact CG1-CE2 3.88Å; A411-F414 CarbonylContact O-C 3.58Å; A411-F414 WeakPolarHBondContact O-CA 3.45Å; A411-F414 PolarHBondContact O-N 3.16Å; F414-M416 PolarHBondContact O-N 2.8Å |
| 415 | P | 55.9 | Low | 67.4 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | trans | -64.8 | 79.8 | 175.9 | 27.7 | -33.8 | 0 | 0 | 0 | 109.1 | F377 T417 | F377-P415 HydrophobicContact CE1-CG 4.06Å; P415-T417 PolarHBondContact O-N 3.43Å | ||
| 416 | M | 54 | Low | 65.2 | Low | 128 Ų | 128 | 74.5 Ų | 74.5 | 63% | 0.631 | 42% | 0.421 | S | S | * | . | trans | -55 | 118.3 | 155.8 | -64.5 | -67 | -74.2 | 0 | 0 | 102.4 | F337 F414 H418 | F337-M416 HydrophobicContact CE1-CG 4.25Å; F414-M416 PolarHBondContact O-N 2.8Å; M416-H418 PolarHBondContact O-N 3.49Å | ||
| 417 | T | 47.7 | Very low | 63 | Low | 131 Ų | 131 | 76.3 Ų | 76.3 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | trans | -30.1 | 113.8 | -180 | 46.3 | 0 | 0 | 0 | 0 | 108.5 | P415 | P415-T417 PolarHBondContact O-N 3.43Š| ||
| 418 | H | 49.7 | Very low | 61 | Low | 110 Ų | 110 | 82.1 Ų | 82.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | trans | -36.5 | 135.2 | 178 | -78.6 | -74.3 | 0 | 0 | 0 | 108 | M416 Q420 | M416-H418 PolarHBondContact O-N 3.49Å; H418-Q420 VanDerWaalsContact C-N 3.35Å; H418-Q420 PolarHBondContact O-N 3.17Å | ||
| 419 | P | 47.8 | Very low | 59.1 | Low | 112 Ų | 112 | 88.2 Ų | 88.2 | 73% | 0.727 | 51% | 0.505 | S | S | * | . | trans | -49.9 | 112.5 | 175 | 21.3 | -30.1 | 0 | 0 | 0 | 105.2 | N421 | P419-N421 PolarHBondContact O-N 3.09Š| ||
| 420 | Q | 45.8 | Very low | 57.2 | Low | 176 Ų | 176 | 91.4 Ų | 91.4 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | trans | -48.8 | 121.7 | -179.8 | -77 | -170.6 | -18.4 | 0 | 0 | 103.8 | H418 I422 | H418-Q420 VanDerWaalsContact C-N 3.35Å; H418-Q420 PolarHBondContact O-N 3.17Å; Q420-I422 VanDerWaalsContact C-N 3.34Å; Q420-I422 PolarHBondContact O-N 3.33Å | ||
| 421 | N | 47 | Very low | 55.7 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | trans | -41.2 | 109.4 | 178.3 | -78.8 | -37.1 | 0 | 0 | 0 | 105.6 | P419 P423 | P419-N421 PolarHBondContact O-N 3.09Å; N421-P423 WeakPolarHBondContact O-CD 3.42Å | ||
| 422 | I | 47.5 | Very low | 54.5 | Low | 133 Ų | 133 | 99.2 Ų | 99.2 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | trans | -53.1 | 118.8 | -176.8 | -63.8 | 171.3 | 0 | 0 | 0 | 102.7 | Q420 L424 | Q420-I422 VanDerWaalsContact C-N 3.34Å; Q420-I422 PolarHBondContact O-N 3.33Å; I422-L424 PolarHBondContact O-N 2.98Å | ||
| 423 | P | 46.3 | Very low | 53.9 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | trans | -66.6 | 90.7 | -179 | 23.6 | -28.7 | 0 | 0 | 0 | 105.6 | N421 A425 S426 | N421-P423 WeakPolarHBondContact O-CD 3.42Å; P423-A425 PolarHBondContact O-N 3.43Å; P423-S426 PolarHBondContact O-N 3.01Å | ||
| 424 | L | 50.5 | Low | 54 | Low | 123 Ų | 123 | 102 Ų | 102 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -63.8 | -10.2 | -176.8 | -96.4 | 127.3 | 0 | 0 | 0 | 110.9 | I422 L432 | I422-L424 PolarHBondContact O-N 2.98Å; L424-L432 HydrophobicContact CB-CD2 3.96Å; L424-L432 HydrophobicContact CD2-CD2 3.76Å |
| 425 | A | 45.8 | Very low | 54.8 | Low | 68 Ų | 68 | 104.8 Ų | 104.8 | 56% | 0.562 | 61% | 0.611 | S | S | * | * | trans | -123.4 | 82.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P423 N427 | P423-A425 PolarHBondContact O-N 3.43Å; A425-N427 PolarHBondContact O-N 3.26Å | ||
| 426 | S | 49.8 | Very low | 56.3 | Low | 112 Ų | 112 | 101.6 Ų | 101.6 | 78% | 0.783 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -73.6 | -8.2 | 159.4 | 32 | 0 | 0 | 0 | 0 | 111.9 | P423 | P423-S426 PolarHBondContact O-N 3.01Š|
| 427 | N | 53 | Low | 57.9 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -136.2 | 113.5 | 178 | -144.2 | -22.3 | 0 | 0 | 0 | 110.9 | A425 N429 M430 | A425-N427 PolarHBondContact O-N 3.26Å; N427-N429 PolarHBondContact O-N 3Å; N427-M430 HydrophobicContact CB-CB 4.45Å; N427-M430 HydrophobicContact CB-SD 4.35Å; N427-M430 PolarHBondContact O-N 3.41Å; N427-M430 VanDerWaalsContact O-N 3.14Å |
| 428 | P | 54.8 | Low | 59.9 | Low | 122 Ų | 122 | 99.5 Ų | 99.5 | 79% | 0.792 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -9.8 | -176.8 | 22.8 | -31.3 | 0 | 0 | 0 | 114.3 | ||
| 429 | N | 55.3 | Low | 61.6 | Low | 152 Ų | 152 | 95 Ų | 95 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -0 | 178.1 | -67 | -22.7 | 0 | 0 | 0 | 114.4 | N427 | N427-N429 PolarHBondContact O-N 3Š|
| 430 | M | 54.6 | Low | 63.7 | Low | 66 Ų | 66 | 93.4 Ų | 93.4 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | trans | -94.9 | 116.6 | -179.9 | -104.8 | 169 | 62.6 | 0 | 0 | 111.4 | N427 L432 Y435 M481 | N427-M430 HydrophobicContact CB-CB 4.45Å; N427-M430 HydrophobicContact CB-SD 4.35Å; N427-M430 PolarHBondContact O-N 3.41Å; N427-M430 VanDerWaalsContact O-N 3.14Å; M430-L432 PolarHBondContact O-N 3.37Å; M430-Y435 HydrophobicContact CE-CE1 4.45Å; M430-Y435 HydrophobicContact CE-CE2 3.71Å; M430-Y435 WeakPolarHBondContact CE-OH 3.29Å; M430-M481 HydrophobicContact CE-CE 3.39Å; M430-M481 HydrophobicContact CE-SD 4.38Å; M430-M481 HydrophobicContact SD-CE 3.69Å; M430-M481 HydrophobicContact SD-SD 4.46Å | ||
| 431 | A | 58.3 | Low | 65.8 | Low | 72 Ų | 72 | 87.4 Ų | 87.4 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | trans | -69.4 | 122.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G433 D434 | A431-G433 PolarHBondContact O-N 2.87Å; A431-D434 PolarHBondContact O-N 3.14Å | ||
| 432 | L | 57.4 | Low | 67.7 | Low | 108 Ų | 108 | 84.8 Ų | 84.8 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -49.7 | -22.2 | 176.9 | -77.4 | 156.4 | 0 | 0 | 0 | 114.1 | L424 M430 | L424-L432 HydrophobicContact CB-CD2 3.96Å; L424-L432 HydrophobicContact CD2-CD2 3.76Å; M430-L432 PolarHBondContact O-N 3.37Å |
| 433 | G | 65.3 | Low | 69.6 | Low | 73 Ų | 73 | 82 Ų | 82 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -80.9 | -3.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A431 | A431-G433 PolarHBondContact O-N 2.87Š|
| 434 | D | 77.8 | Confident | 71.6 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -83.6 | -11.6 | -179 | -160.5 | 35.7 | 0 | 0 | 0 | 113.1 | A431 M481 E482 S483 | A431-D434 PolarHBondContact O-N 3.14Å; D434-M481 CarbonylContact O-C 3.59Å; D434-M481 WeakPolarHBondContact O-CA 3.33Å; D434-M481 WeakPolarHBondContact OD2-CB 3.4Å; D434-E482 PolarHBondContact O-N 2.66Å; D434-E482 WeakPolarHBondContact OD1-CB 3.48Å; D434-S483 PolarHBondContact OD1-N 2.97Å; D434-S483 VanDerWaalsContact OD2-CB 3.31Å; D434-S483 WeakPolarHBondContact OD2-CB 3.37Å; D434-S483 PolarHBondContact OD2-OG 3.27Å |
| 435 | Y | 85.4 | Confident | 73.6 | Confident | 89 Ų | 89 | 76 Ų | 76 | 35% | 0.349 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 136.5 | 178.2 | -75 | -71.9 | 0 | 0 | 0 | 112.5 | M430 I437 M481 | M430-Y435 HydrophobicContact CE-CE1 4.45Å; M430-Y435 HydrophobicContact CE-CE2 3.71Å; M430-Y435 WeakPolarHBondContact CE-OH 3.29Å; Y435-I437 PolarHBondContact O-N 3.35Å; Y435-M481 HydrophobicContact CD1-CG 4.19Å; Y435-M481 HydrophobicContact CE1-CE 3.96Å; Y435-M481 HydrophobicContact CE1-CG 4.27Å |
| 436 | R | 87.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 5% | 0.045 | 44% | 0.44 | C | S | . | . | trans | -76.3 | 48.7 | 179.1 | -69.8 | 177.8 | 65.4 | -131 | -0 | 113 | A439 F440 P479 L480 E482 D488 | R436-A439 HydrophobicContact CB-CB 4.27Å; R436-A439 PolarHBondContact O-N 2.79Å; R436-F440 WeakPolarHBondContact O-CB 3.48Å; R436-F440 PolarHBondContact O-N 3.1Å; R436-P479 WeakPolarHBondContact CD-O 3.43Å; R436-P479 PolarHBondContact NH1-O 2.84Å; R436-L480 PolarHBondContact N-O 3.24Å; R436-E482 HydrophobicContact CG-CG 3.87Å; R436-D488 IonicContact CZ-OD1 3.09Å; R436-D488 IonicContact CZ-OD2 2.69Å; R436-D488 IonicContact NE-OD2 2.82Å; R436-D488 PolarHBondContact NE-OD2 2.85Å; R436-D488 IonicContact NH2-OD1 2.67Å; R436-D488 PolarHBondContact NH2-OD1 3.23Å; R436-D488 IonicContact NH2-OD2 4Å; R436-D488 PolarHBondContact NH2-OD2 2.77Å | ||
| 437 | I | 89.1 | Confident | 77.6 | Confident | 108 Ų | 108 | 78 Ų | 78 | 55% | 0.554 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.8 | -50.5 | -172.6 | -59.7 | 176.1 | 0 | 0 | 0 | 111.1 | Y435 F440 I441 | Y435-I437 PolarHBondContact O-N 3.35Å; I437-F440 PolarHBondContact O-N 3.28Å; I437-I441 HydrophobicContact CG2-CD1 3.97Å; I437-I441 WeakPolarHBondContact O-CG1 3.49Å; I437-I441 PolarHBondContact O-N 3.42Å |
| 438 | Q | 88.4 | Confident | 79.5 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | -177.5 | -169.6 | 58.5 | 44.4 | 0 | 0 | 111.5 | F440 I441 D442 | Q438-F440 VanDerWaalsContact C-N 3.34Å; Q438-F440 PolarHBondContact O-N 2.59Å; Q438-I441 PolarHBondContact O-N 2.59Å; Q438-D442 PolarHBondContact NE2-OD1 3.45Å; Q438-D442 PolarHBondContact NE2-OD2 3.06Å; Q438-D442 WeakPolarHBondContact O-CB 3.32Å; Q438-D442 PolarHBondContact O-N 2.78Å |
| 439 | A | 86.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R436 I441 D442 Q443 W478 | R436-A439 HydrophobicContact CB-CB 4.27Å; R436-A439 PolarHBondContact O-N 2.79Å; A439-I441 PolarHBondContact O-N 3.14Å; A439-D442 PolarHBondContact O-N 3.02Å; A439-Q443 VanDerWaalsContact O-CB 3.23Å; A439-Q443 WeakPolarHBondContact O-CB 3.27Å; A439-Q443 WeakPolarHBondContact O-CG 3.47Å; A439-Q443 PolarHBondContact O-N 3.18Å; A439-W478 HydrophobicContact CB-CH2 4.5Å; A439-W478 HydrophobicContact CB-CZ2 4.28Å |
| 440 | F | 90.2 | Very high | 83.1 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -62.8 | -40.8 | 175.7 | -176.1 | -106.8 | 0 | 0 | 0 | 112.3 | R436 I437 Q438 I444 L445 W478 | R436-F440 WeakPolarHBondContact O-CB 3.48Å; R436-F440 PolarHBondContact O-N 3.1Å; I437-F440 PolarHBondContact O-N 3.28Å; Q438-F440 VanDerWaalsContact C-N 3.34Å; Q438-F440 PolarHBondContact O-N 2.59Å; F440-I444 HydrophobicContact CD2-CB 4.05Å; F440-I444 HydrophobicContact CD2-CD1 3.88Å; F440-I444 HydrophobicContact CD2-CG1 4.31Å; F440-I444 HydrophobicContact CD2-CG2 4.44Å; F440-I444 HydrophobicContact CE2-CB 4.05Å; F440-I444 HydrophobicContact CE2-CD1 3.97Å; F440-I444 HydrophobicContact CE2-CG2 3.93Å; F440-I444 HydrophobicContact CZ-CG2 4.42Å; F440-I444 WeakPolarHBondContact O-CB 3.29Å; F440-I444 PolarHBondContact O-N 3.35Å; F440-I444 VanDerWaalsContact O-N 3.11Å; F440-L445 HydrophobicContact CD1-CD1 3.65Å; F440-L445 HydrophobicContact CD1-CG 3.83Å; F440-L445 HydrophobicContact CE1-CD1 3.55Å; F440-L445 HydrophobicContact CE1-CD2 3.83Å; F440-L445 HydrophobicContact CE1-CG 3.5Å; F440-L445 VanDerWaalsContact CE1-CG 3.5Å; F440-L445 HydrophobicContact CZ-CD2 4.23Å; F440-L445 HydrophobicContact CZ-CG 4.16Å; F440-L445 PolarHBondContact O-N 3.47Å; F440-W478 HydrophobicContact CB-CZ2 4.45Å; F440-W478 AromaticContact CD2-NE1 3.66Å |
| 441 | I | 90.6 | Very high | 84.8 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -63.2 | -49.5 | 176.2 | -69.1 | 167.1 | 0 | 0 | 0 | 110.9 | I437 Q438 A439 L445 R446 | I437-I441 HydrophobicContact CG2-CD1 3.97Å; I437-I441 WeakPolarHBondContact O-CG1 3.49Å; I437-I441 PolarHBondContact O-N 3.42Å; Q438-I441 PolarHBondContact O-N 2.59Å; A439-I441 PolarHBondContact O-N 3.14Å; I441-L445 HydrophobicContact CG1-CD1 4.01Å; I441-L445 PolarHBondContact O-N 3Å; I441-R446 HydrophobicContact CG2-CG 4.34Å; I441-R446 WeakPolarHBondContact O-CG 2.94Å; I441-R446 PolarHBondContact O-N 2.94Å |
| 442 | D | 88.2 | Confident | 86.2 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -78 | -38.8 | -169.9 | -67 | -20.1 | 0 | 0 | 0 | 112.7 | Q438 A439 R446 P447 | Q438-D442 PolarHBondContact NE2-OD1 3.45Å; Q438-D442 PolarHBondContact NE2-OD2 3.06Å; Q438-D442 WeakPolarHBondContact O-CB 3.32Å; Q438-D442 PolarHBondContact O-N 2.78Å; A439-D442 PolarHBondContact O-N 3.02Å; D442-R446 IonicContact OD1-CZ 3.01Å; D442-R446 IonicContact OD1-NE 3.34Å; D442-R446 IonicContact OD1-NH1 3.72Å; D442-R446 PolarHBondContact OD1-NH1 3.47Å; D442-R446 IonicContact OD1-NH2 3.71Å; D442-R446 PolarHBondContact OD1-NH2 2.97Å; D442-P447 VanDerWaalsContact O-CD 3.32Å; D442-P447 WeakPolarHBondContact O-CD 3.49Å; D442-P447 WeakPolarHBondContact O-CG 3.39Å |
| 443 | Q | 85.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | I | π-helix | trans | -95 | -26.1 | -173.5 | -55.7 | -178.6 | 24.1 | 0 | 0 | 113 | A439 P447 W478 | A439-Q443 VanDerWaalsContact O-CB 3.23Å; A439-Q443 WeakPolarHBondContact O-CB 3.27Å; A439-Q443 WeakPolarHBondContact O-CG 3.47Å; A439-Q443 PolarHBondContact O-N 3.18Å; Q443-P447 WeakPolarHBondContact O-CG 3.48Å; Q443-W478 HydrophobicContact CB-CH2 3.73Å; Q443-W478 HydrophobicContact CB-CZ3 4.34Å; Q443-W478 HydrophobicContact CG-CH2 4.24Å |
| 444 | I | 89.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -115.5 | -60.2 | -177.7 | -58 | -170.6 | 0 | 0 | 0 | 112 | F440 P447 S448 I471 T475 W478 | F440-I444 HydrophobicContact CD2-CB 4.05Å; F440-I444 HydrophobicContact CD2-CD1 3.88Å; F440-I444 HydrophobicContact CD2-CG1 4.31Å; F440-I444 HydrophobicContact CD2-CG2 4.44Å; F440-I444 HydrophobicContact CE2-CB 4.05Å; F440-I444 HydrophobicContact CE2-CD1 3.97Å; F440-I444 HydrophobicContact CE2-CG2 3.93Å; F440-I444 HydrophobicContact CZ-CG2 4.42Å; F440-I444 WeakPolarHBondContact O-CB 3.29Å; F440-I444 PolarHBondContact O-N 3.35Å; F440-I444 VanDerWaalsContact O-N 3.11Å; I444-P447 WeakPolarHBondContact O-CD 3.42Å; I444-S448 WeakPolarHBondContact O-CB 3.06Å; I444-S448 PolarHBondContact O-N 2.92Å; I444-S448 PolarHBondContact O-OG 3.4Å; I444-I471 HydrophobicContact CG2-CD1 4.41Å; I444-T475 HydrophobicContact CD1-CG2 3.93Å; I444-W478 HydrophobicContact CD1-CD2 3.42Å; I444-W478 VanDerWaalsContact CD1-CD2 3.42Å; I444-W478 HydrophobicContact CD1-CE3 3.75Å; I444-W478 HydrophobicContact CD1-CG 3.81Å; I444-W478 HydrophobicContact CD1-CH2 4.23Å; I444-W478 HydrophobicContact CD1-CZ2 3.95Å; I444-W478 HydrophobicContact CD1-CZ3 4.14Å; I444-W478 HydrophobicContact CG1-CD2 4.39Å; I444-W478 HydrophobicContact CG1-CE3 4.42Å; I444-W478 HydrophobicContact CG1-CH2 4.2Å; I444-W478 HydrophobicContact CG1-CZ2 4.18Å; I444-W478 HydrophobicContact CG1-CZ3 4.32Å |
| 445 | L | 91.7 | Very high | 88.7 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -65.1 | -47.7 | -170.6 | -73.1 | 171.9 | 0 | 0 | 0 | 113.1 | F440 I441 S448 R449 | F440-L445 HydrophobicContact CD1-CD1 3.65Å; F440-L445 HydrophobicContact CD1-CG 3.83Å; F440-L445 HydrophobicContact CE1-CD1 3.55Å; F440-L445 HydrophobicContact CE1-CD2 3.83Å; F440-L445 HydrophobicContact CE1-CG 3.5Å; F440-L445 VanDerWaalsContact CE1-CG 3.5Å; F440-L445 HydrophobicContact CZ-CD2 4.23Å; F440-L445 HydrophobicContact CZ-CG 4.16Å; F440-L445 PolarHBondContact O-N 3.47Å; I441-L445 HydrophobicContact CG1-CD1 4.01Å; I441-L445 PolarHBondContact O-N 3Å; L445-S448 PolarHBondContact O-N 2.9Å; L445-R449 PolarHBondContact O-N 3.27Å |
| 446 | R | 91.3 | Very high | 88.4 | Confident | 148 Ų | 148 | 85 Ų | 85 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -47.1 | -178.6 | -74.3 | -177.4 | -170.1 | 146.7 | 12.7 | 112.7 | I441 D442 S448 R449 | I441-R446 HydrophobicContact CG2-CG 4.34Å; I441-R446 WeakPolarHBondContact O-CG 2.94Å; I441-R446 PolarHBondContact O-N 2.94Å; D442-R446 IonicContact OD1-CZ 3.01Å; D442-R446 IonicContact OD1-NE 3.34Å; D442-R446 IonicContact OD1-NH1 3.72Å; D442-R446 PolarHBondContact OD1-NH1 3.47Å; D442-R446 IonicContact OD1-NH2 3.71Å; D442-R446 PolarHBondContact OD1-NH2 2.97Å; R446-S448 PolarHBondContact O-N 2.86Å; R446-R449 WeakPolarHBondContact O-CG 3.34Å; R446-R449 PolarHBondContact O-N 3.44Å |
| 447 | P | 88.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.3 | 177.3 | -24.8 | 37.9 | 0 | 0 | 0 | 113.4 | D442 Q443 I444 R449 | D442-P447 VanDerWaalsContact O-CD 3.32Å; D442-P447 WeakPolarHBondContact O-CD 3.49Å; D442-P447 WeakPolarHBondContact O-CG 3.39Å; Q443-P447 WeakPolarHBondContact O-CG 3.48Å; I444-P447 WeakPolarHBondContact O-CD 3.42Å; P447-R449 PolarHBondContact O-N 2.79Å |
| 448 | S | 92.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 15% | 0.154 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 13.5 | -177.3 | -51.2 | 0 | 0 | 0 | 0 | 114.7 | I444 L445 R446 L450 H470 I471 | I444-S448 WeakPolarHBondContact O-CB 3.06Å; I444-S448 PolarHBondContact O-N 2.92Å; I444-S448 PolarHBondContact O-OG 3.4Å; L445-S448 PolarHBondContact O-N 2.9Å; R446-S448 PolarHBondContact O-N 2.86Å; S448-L450 PolarHBondContact O-N 2.89Å; S448-H470 PolarHBondContact OG-CD2 3.22Å; S448-H470 PolarHBondContact OG-NE2 3.48Å; S448-I471 VanDerWaalsContact CB-CD1 3.43Å; S448-I471 VanDerWaalsContact OG-CD1 3.27Å; S448-I471 WeakPolarHBondContact OG-CD1 3.34Å |
| 449 | R | 93.6 | Very high | 87.8 | Confident | 156 Ų | 156 | 92.1 Ų | 92.1 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | trans | -61.3 | 128.3 | 178.6 | -73.2 | -179 | 75.8 | -168 | 4.4 | 110.4 | L445 R446 P447 | L445-R449 PolarHBondContact O-N 3.27Å; R446-R449 WeakPolarHBondContact O-CG 3.34Å; R446-R449 PolarHBondContact O-N 3.44Å; P447-R449 PolarHBondContact O-N 2.79Å | ||
| 450 | L | 92.7 | Very high | 87.8 | Confident | 148 Ų | 148 | 97.1 Ų | 97.1 | 78% | 0.775 | 52% | 0.52 | S | S | * | . | trans | -70.2 | 145.1 | 176.7 | -58.9 | 178.4 | 0 | 0 | 0 | 110.8 | S448 A467 | S448-L450 PolarHBondContact O-N 2.89Å; L450-A467 HydrophobicContact CD2-CB 3.63Å | ||
| 451 | A | 89.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 95.1 Ų | 95.1 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | trans | -126.7 | 146.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A453 V719 | A451-A453 PolarHBondContact O-N 3.38Å; A451-V719 HydrophobicContact CB-CG1 4.31Å | ||
| 452 | P | 88.4 | Confident | 87.6 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 79% | 0.786 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 129.3 | 174.6 | -21.5 | 32.7 | 0 | 0 | 0 | 111.1 | ||
| 453 | A | 87.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 147.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | A451 A455 Y459 P463 | A451-A453 PolarHBondContact O-N 3.38Å; A453-A455 PolarHBondContact O-N 2.96Å; A453-Y459 HydrophobicContact CB-CE2 4.04Å; A453-P463 HydrophobicContact CB-CB 3.84Å; A453-P463 HydrophobicContact CB-CG 3.48Å; A453-P463 VanDerWaalsContact CB-CG 3.48Å |
| 454 | S | 87.1 | Confident | 88 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 122.4 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | R456 L457 Y459 | S454-R456 PolarHBondContact O-N 3.38Å; S454-R456 VanDerWaalsContact O-N 3.1Å; S454-R456 PolarHBondContact OG-N 2.93Å; S454-L457 PolarHBondContact O-N 2.98Å; S454-Y459 PolarHBondContact N-OH 3.4Å; S454-Y459 WeakPolarHBondContact O-CE2 3.43Å; S454-Y459 PolarHBondContact O-OH 3.39Å |
| 455 | A | 79 | Confident | 88.1 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 91% | 0.909 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -14.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A453 | A453-A455 PolarHBondContact O-N 2.96Š|
| 456 | R | 79.5 | Confident | 88.1 | Confident | 239 Ų | 239 | 106.9 Ų | 106.9 | 90% | 0.902 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -9.4 | -178.8 | -59.5 | -177.1 | -178.3 | -177.8 | -0.4 | 113.8 | S454 | S454-R456 PolarHBondContact O-N 3.38Å; S454-R456 VanDerWaalsContact O-N 3.1Å; S454-R456 PolarHBondContact OG-N 2.93Å |
| 457 | L | 82.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -99.4 | 139 | -177.7 | -68.7 | 176.3 | 0 | 0 | 0 | 110.6 | S454 Y459 | S454-L457 PolarHBondContact O-N 2.98Å; L457-Y459 HydrophobicContact CB-CE1 4.3Å; L457-Y459 HydrophobicContact CB-CE2 3.89Å; L457-Y459 VanDerWaalsContact O-CD2 3.27Å; L457-Y459 WeakPolarHBondContact O-CD2 3.3Å; L457-Y459 VanDerWaalsContact O-CE2 3.31Å; L457-Y459 WeakPolarHBondContact O-CE2 3.3Å |
| 458 | N | 84.2 | Confident | 88.4 | Confident | 171 Ų | 171 | 101.2 Ų | 101.2 | 91% | 0.914 | 54% | 0.538 | S | S | * | . | trans | -84.8 | 123.1 | 170 | -72.9 | -24.3 | 0 | 0 | 0 | 109.2 | ||||
| 459 | Y | 85 | Confident | 88.4 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | trans | -106.5 | 137 | 178.9 | -60.1 | -81.9 | 0 | 0 | 0 | 110.1 | A453 S454 L457 V461 P463 | A453-Y459 HydrophobicContact CB-CE2 4.04Å; S454-Y459 PolarHBondContact N-OH 3.4Å; S454-Y459 WeakPolarHBondContact O-CE2 3.43Å; S454-Y459 PolarHBondContact O-OH 3.39Å; L457-Y459 HydrophobicContact CB-CE1 4.3Å; L457-Y459 HydrophobicContact CB-CE2 3.89Å; L457-Y459 VanDerWaalsContact O-CD2 3.27Å; L457-Y459 WeakPolarHBondContact O-CD2 3.3Å; L457-Y459 VanDerWaalsContact O-CE2 3.31Å; L457-Y459 WeakPolarHBondContact O-CE2 3.3Å; Y459-V461 VanDerWaalsContact C-N 3.26Å; Y459-V461 VanDerWaalsContact CB-O 3.32Å; Y459-V461 WeakPolarHBondContact CB-O 3.28Å; Y459-V461 PolarHBondContact O-N 3Å; Y459-P463 HydrophobicContact CD1-CG 4.48Å; Y459-P463 HydrophobicContact CD2-CG 3.92Å; Y459-P463 HydrophobicContact CE2-CG 4.09Å; Y459-P463 HydrophobicContact CG-CG 4.12Å | ||
| 460 | S | 88 | Confident | 88.3 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 83% | 0.832 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -66.5 | -29.4 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 461 | V | 87.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 94.7 Ų | 94.7 | 24% | 0.236 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -130.5 | 136.5 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | Y459 E465 R466 | Y459-V461 VanDerWaalsContact C-N 3.26Å; Y459-V461 VanDerWaalsContact CB-O 3.32Å; Y459-V461 WeakPolarHBondContact CB-O 3.28Å; Y459-V461 PolarHBondContact O-N 3Å; V461-E465 HydrophobicContact CG1-CB 3.92Å; V461-R466 HydrophobicContact CG1-CB 4.24Å |
| 462 | F | 88.9 | Confident | 88.5 | Confident | 150 Ų | 150 | 95.6 Ų | 95.6 | 66% | 0.658 | 50% | 0.503 | S | S | * | . | trans | -58.4 | 135.4 | 178.9 | -74.9 | -70.5 | 0 | 0 | 0 | 110.4 | K464 E465 R466 | F462-K464 PolarHBondContact O-N 2.95Å; F462-K464 VanDerWaalsContact O-N 3.1Å; F462-E465 HydrophobicContact CB-CB 4.39Å; F462-E465 HydrophobicContact CB-CG 4.08Å; F462-E465 WeakPolarHBondContact O-CA 3.39Å; F462-E465 WeakPolarHBondContact O-CB 3.22Å; F462-E465 PolarHBondContact O-N 3.03Å; F462-R466 PolarHBondContact O-N 3.13Å | ||
| 463 | P | 91.1 | Very high | 88.8 | Confident | 51 Ų | 51 | 90.9 Ų | 90.9 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.4 | -37.3 | -176.6 | -30.2 | 35.1 | 0 | 0 | 0 | 114 | A453 Y459 R466 A467 | A453-P463 HydrophobicContact CB-CB 3.84Å; A453-P463 HydrophobicContact CB-CG 3.48Å; A453-P463 VanDerWaalsContact CB-CG 3.48Å; Y459-P463 HydrophobicContact CD1-CG 4.48Å; Y459-P463 HydrophobicContact CD2-CG 3.92Å; Y459-P463 HydrophobicContact CE2-CG 4.09Å; Y459-P463 HydrophobicContact CG-CG 4.12Å; P463-R466 PolarHBondContact O-N 3.27Å; P463-A467 PolarHBondContact O-N 3.36Å |
| 464 | K | 90.2 | Very high | 88.9 | Confident | 159 Ų | 159 | 90 Ų | 90 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 175.1 | -177.6 | -179.7 | 177.6 | -178.6 | 0 | 112.2 | F462 A467 Q468 | F462-K464 PolarHBondContact O-N 2.95Å; F462-K464 VanDerWaalsContact O-N 3.1Å; K464-A467 PolarHBondContact O-N 3.43Å; K464-Q468 WeakPolarHBondContact O-CG 3.4Å; K464-Q468 PolarHBondContact O-N 2.89Å; K464-Q468 VanDerWaalsContact O-N 3.09Å |
| 465 | E | 92 | Very high | 89.1 | Confident | 84 Ų | 84 | 90 Ų | 90 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 178.5 | -64.7 | 177 | 168 | 0 | 0 | 110.7 | V461 F462 A467 Q468 Q469 | V461-E465 HydrophobicContact CG1-CB 3.92Å; F462-E465 HydrophobicContact CB-CB 4.39Å; F462-E465 HydrophobicContact CB-CG 4.08Å; F462-E465 WeakPolarHBondContact O-CA 3.39Å; F462-E465 WeakPolarHBondContact O-CB 3.22Å; F462-E465 PolarHBondContact O-N 3.03Å; E465-A467 VanDerWaalsContact C-N 3.3Å; E465-A467 PolarHBondContact O-N 3.42Å; E465-Q468 WeakPolarHBondContact O-CB 3.28Å; E465-Q468 PolarHBondContact O-N 3.08Å; E465-Q468 VanDerWaalsContact O-N 3.15Å; E465-Q469 WeakPolarHBondContact O-CG 3.32Å; E465-Q469 PolarHBondContact O-N 2.67Å |
| 466 | R | 90.6 | Very high | 89.7 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 31% | 0.313 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.4 | -170 | 178.9 | -178.9 | 82.6 | 15.4 | 111.7 | V461 F462 P463 Q469 H470 E503 | V461-R466 HydrophobicContact CG1-CB 4.24Å; F462-R466 PolarHBondContact O-N 3.13Å; P463-R466 PolarHBondContact O-N 3.27Å; R466-Q469 PolarHBondContact O-N 2.69Å; R466-H470 PolarHBondContact O-N 3.36Å; R466-E503 IonicContact CZ-OE2 2.6Å; R466-E503 IonicContact NH1-OE2 2.97Å; R466-E503 PolarHBondContact NH1-OE2 3.2Å; R466-E503 IonicContact NH2-OE2 3.85Å; R466-E503 PolarHBondContact NH2-OE2 3Å |
| 467 | A | 92.6 | Very high | 90 | Very high | 28 Ų | 28 | 76.3 Ų | 76.3 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L450 P463 K464 E465 H470 I471 | L450-A467 HydrophobicContact CD2-CB 3.63Å; P463-A467 PolarHBondContact O-N 3.36Å; K464-A467 PolarHBondContact O-N 3.43Å; E465-A467 VanDerWaalsContact C-N 3.3Å; E465-A467 PolarHBondContact O-N 3.42Å; A467-H470 WeakPolarHBondContact O-CB 3.06Å; A467-H470 PolarHBondContact O-N 3.43Å; A467-I471 PolarHBondContact O-N 3.37Å; A467-I471 VanDerWaalsContact O-N 3.09Å |
| 468 | Q | 93.6 | Very high | 90.3 | Very high | 75 Ų | 75 | 73.1 Ų | 73.1 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.1 | -72.1 | 175.6 | -31.8 | 0 | 0 | 112 | K464 E465 H470 I471 E472 | K464-Q468 WeakPolarHBondContact O-CG 3.4Å; K464-Q468 PolarHBondContact O-N 2.89Å; K464-Q468 VanDerWaalsContact O-N 3.09Å; E465-Q468 WeakPolarHBondContact O-CB 3.28Å; E465-Q468 PolarHBondContact O-N 3.08Å; E465-Q468 VanDerWaalsContact O-N 3.15Å; Q468-H470 VanDerWaalsContact C-N 3.3Å; Q468-H470 PolarHBondContact O-N 3.16Å; Q468-I471 PolarHBondContact O-N 2.83Å; Q468-E472 WeakPolarHBondContact O-CB 3.49Å; Q468-E472 PolarHBondContact O-N 2.71Å |
| 469 | Q | 92.4 | Very high | 90.4 | Very high | 70 Ų | 70 | 65.2 Ų | 65.2 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 175.6 | -68.9 | 171.7 | -0.1 | 0 | 0 | 112.1 | E465 R466 E472 R473 | E465-Q469 WeakPolarHBondContact O-CG 3.32Å; E465-Q469 PolarHBondContact O-N 2.67Å; R466-Q469 PolarHBondContact O-N 2.69Å; Q469-E472 PolarHBondContact O-N 3.31Å; Q469-R473 WeakPolarHBondContact O-CG 3.14Å; Q469-R473 PolarHBondContact O-N 3.45Å; Q469-R473 PolarHBondContact O-NH1 2.98Å |
| 470 | H | 92 | Very high | 90.5 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 173.4 | 175.8 | 80.3 | 0 | 0 | 0 | 111.5 | S448 R466 A467 Q468 E472 R473 Q474 | S448-H470 PolarHBondContact OG-CD2 3.22Å; S448-H470 PolarHBondContact OG-NE2 3.48Å; R466-H470 PolarHBondContact O-N 3.36Å; A467-H470 WeakPolarHBondContact O-CB 3.06Å; A467-H470 PolarHBondContact O-N 3.43Å; Q468-H470 VanDerWaalsContact C-N 3.3Å; Q468-H470 PolarHBondContact O-N 3.16Å; H470-E472 VanDerWaalsContact C-N 3.31Å; H470-E472 PolarHBondContact O-N 3.28Å; H470-R473 PolarHBondContact O-N 3.22Å; H470-Q474 VanDerWaalsContact O-CG 3.27Å; H470-Q474 WeakPolarHBondContact O-CG 3.42Å; H470-Q474 PolarHBondContact O-N 2.97Å |
| 471 | I | 93.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 35% | 0.349 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.6 | -65.5 | -65 | 0 | 0 | 0 | 111.4 | I444 S448 A467 Q468 R473 Q474 T475 | I444-I471 HydrophobicContact CG2-CD1 4.41Å; S448-I471 VanDerWaalsContact CB-CD1 3.43Å; S448-I471 VanDerWaalsContact OG-CD1 3.27Å; S448-I471 WeakPolarHBondContact OG-CD1 3.34Å; A467-I471 PolarHBondContact O-N 3.37Å; A467-I471 VanDerWaalsContact O-N 3.09Å; Q468-I471 PolarHBondContact O-N 2.83Å; I471-R473 PolarHBondContact O-N 2.98Å; I471-Q474 PolarHBondContact O-N 3.23Å; I471-T475 HydrophobicContact CG2-CG2 4.25Å; I471-T475 WeakPolarHBondContact O-CB 3.22Å; I471-T475 WeakPolarHBondContact O-CG2 3.41Å; I471-T475 PolarHBondContact O-N 3.32Å; I471-T475 PolarHBondContact O-OG1 3.12Å |
| 472 | E | 93.7 | Very high | 90.2 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.3 | -53.4 | 176.4 | -171.8 | -81.8 | 153.1 | 0 | 0 | 110.8 | Q468 Q469 H470 Q474 T475 R476 | Q468-E472 WeakPolarHBondContact O-CB 3.49Å; Q468-E472 PolarHBondContact O-N 2.71Å; Q469-E472 PolarHBondContact O-N 3.31Å; H470-E472 VanDerWaalsContact C-N 3.31Å; H470-E472 PolarHBondContact O-N 3.28Å; E472-Q474 PolarHBondContact O-N 3.26Å; E472-T475 CarbonylContact O-C 3.45Å; E472-T475 PolarHBondContact O-N 3.16Å; E472-T475 VanDerWaalsContact O-N 3.13Å; E472-T475 PolarHBondContact O-OG1 3.29Å; E472-R476 VanDerWaalsContact CD-NE 3.34Å; E472-R476 WeakPolarHBondContact O-CG 3.5Å; E472-R476 PolarHBondContact O-N 3.32Å; E472-R476 WeakPolarHBondContact OE1-CG 3.43Å; E472-R476 IonicContact OE1-CZ 3.71Å; E472-R476 VanDerWaalsContact OE1-CZ 3.27Å; E472-R476 IonicContact OE1-NE 2.59Å; E472-R476 PolarHBondContact OE1-NE 2.73Å; E472-R476 IonicContact OE1-NH2 3.59Å; E472-R476 PolarHBondContact OE1-NH2 3.18Å; E472-R476 IonicContact OE2-CZ 4Å; E472-R476 IonicContact OE2-NE 2.91Å; E472-R476 PolarHBondContact OE2-NE 3.17Å; E472-R476 VanDerWaalsContact OE2-NE 3.14Å; E472-R476 IonicContact OE2-NH2 2.78Å; E472-R476 PolarHBondContact OE2-NH2 3.24Å |
| 473 | R | 93 | Very high | 89.8 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 178 | -68.7 | -172.3 | -60.4 | -89.7 | 4.7 | 112.9 | Q469 H470 I471 T475 P501 Y571 I574 | Q469-R473 WeakPolarHBondContact O-CG 3.14Å; Q469-R473 PolarHBondContact O-N 3.45Å; Q469-R473 PolarHBondContact O-NH1 2.98Å; H470-R473 PolarHBondContact O-N 3.22Å; I471-R473 PolarHBondContact O-N 2.98Å; R473-T475 PolarHBondContact O-N 3.1Å; R473-P501 HydrophobicContact CB-CB 4.38Å; R473-P501 WeakPolarHBondContact CB-O 3.24Å; R473-P501 WeakPolarHBondContact CD-O 3.48Å; R473-P501 PolarHBondContact NE-O 3.32Å; R473-Y571 WeakPolarHBondContact O-CE1 3.45Å; R473-Y571 PolarHBondContact O-OH 3.41Å; R473-I574 HydrophobicContact CG-CD1 4.17Å |
| 474 | Q | 91 | Very high | 89.4 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -25.2 | 177.7 | -69 | -68 | -10.6 | 0 | 0 | 112.9 | H470 I471 E472 P501 | H470-Q474 VanDerWaalsContact O-CG 3.27Å; H470-Q474 WeakPolarHBondContact O-CG 3.42Å; H470-Q474 PolarHBondContact O-N 2.97Å; I471-Q474 PolarHBondContact O-N 3.23Å; E472-Q474 PolarHBondContact O-N 3.26Å; Q474-P501 VanDerWaalsContact CD-CB 3.48Å; Q474-P501 HydrophobicContact CG-CB 4.22Å |
| 475 | T | 91.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -110.9 | 4.9 | -175.2 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | I444 I471 E472 R473 Y477 | I444-T475 HydrophobicContact CD1-CG2 3.93Å; I471-T475 HydrophobicContact CG2-CG2 4.25Å; I471-T475 WeakPolarHBondContact O-CB 3.22Å; I471-T475 WeakPolarHBondContact O-CG2 3.41Å; I471-T475 PolarHBondContact O-N 3.32Å; I471-T475 PolarHBondContact O-OG1 3.12Å; E472-T475 CarbonylContact O-C 3.45Å; E472-T475 PolarHBondContact O-N 3.16Å; E472-T475 VanDerWaalsContact O-N 3.13Å; E472-T475 PolarHBondContact O-OG1 3.29Å; R473-T475 PolarHBondContact O-N 3.1Å; T475-Y477 PolarHBondContact O-N 3.36Å |
| 476 | R | 89.9 | Confident | 88.6 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.2 | 175.9 | -86.8 | -174.7 | -177.7 | -132.7 | 0.5 | 111.9 | E472 L570 Y571 D573 R654 | E472-R476 VanDerWaalsContact CD-NE 3.34Å; E472-R476 WeakPolarHBondContact O-CG 3.5Å; E472-R476 PolarHBondContact O-N 3.32Å; E472-R476 WeakPolarHBondContact OE1-CG 3.43Å; E472-R476 IonicContact OE1-CZ 3.71Å; E472-R476 VanDerWaalsContact OE1-CZ 3.27Å; E472-R476 IonicContact OE1-NE 2.59Å; E472-R476 PolarHBondContact OE1-NE 2.73Å; E472-R476 IonicContact OE1-NH2 3.59Å; E472-R476 PolarHBondContact OE1-NH2 3.18Å; E472-R476 IonicContact OE2-CZ 4Å; E472-R476 IonicContact OE2-NE 2.91Å; E472-R476 PolarHBondContact OE2-NE 3.17Å; E472-R476 VanDerWaalsContact OE2-NE 3.14Å; E472-R476 IonicContact OE2-NH2 2.78Å; E472-R476 PolarHBondContact OE2-NH2 3.24Å; R476-L570 PolarHBondContact NH1-O 3.41Å; R476-Y571 HydrophobicContact CB-CE1 4.16Å; R476-Y571 HydrophobicContact CB-CE2 3.98Å; R476-D573 IonicContact CZ-OD1 2.69Å; R476-D573 IonicContact NH1-OD1 3.09Å; R476-D573 PolarHBondContact NH1-OD1 2.84Å; R476-D573 IonicContact NH1-OD2 2.98Å; R476-D573 PolarHBondContact NH1-OD2 3.16Å; R476-D573 IonicContact NH2-OD1 2.67Å; R476-D573 IonicContact NH2-OD2 2.8Å; R476-R654 PolarHBondContact O-NH1 2.94Å |
| 477 | Y | 87.1 | Confident | 88 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 101.6 | 166.6 | -172.2 | -98.7 | 0 | 0 | 0 | 110.6 | T475 P479 E563 Y566 I567 L570 L651 | T475-Y477 PolarHBondContact O-N 3.36Å; Y477-P479 HydrophobicContact CD1-CG 4.16Å; Y477-P479 HydrophobicContact CE1-CG 3.5Å; Y477-P479 VanDerWaalsContact CE1-CG 3.5Å; Y477-E563 HydrophobicContact CE1-CG 4.13Å; Y477-E563 VanDerWaalsContact CE1-OE1 3.3Å; Y477-E563 WeakPolarHBondContact CE1-OE1 3.16Å; Y477-E563 VanDerWaalsContact OH-CD 3.27Å; Y477-E563 WeakPolarHBondContact OH-CG 3.36Å; Y477-E563 PolarHBondContact OH-OE1 2.85Å; Y477-Y566 HydrophobicContact CD2-CD1 4.11Å; Y477-Y566 HydrophobicContact CD2-CE1 4.04Å; Y477-Y566 HydrophobicContact CE2-CD1 4.09Å; Y477-Y566 HydrophobicContact CE2-CE1 4.23Å; Y477-I567 HydrophobicContact CD1-CD1 3.51Å; Y477-I567 HydrophobicContact CD1-CG1 3.44Å; Y477-I567 VanDerWaalsContact CD1-CG1 3.44Å; Y477-I567 HydrophobicContact CD2-CG1 4.19Å; Y477-I567 HydrophobicContact CE1-CD1 3.6Å; Y477-I567 HydrophobicContact CE1-CG1 3.84Å; Y477-I567 HydrophobicContact CG-CD1 4.23Å; Y477-I567 HydrophobicContact CG-CG1 3.63Å; Y477-L570 HydrophobicContact CD2-CD1 4.18Å; Y477-L651 HydrophobicContact CE2-CD1 4.38Å |
| 478 | W | 88.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 44 Ų | 44 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | trans | -138.4 | 92 | 179.7 | -164.3 | -97.8 | 0 | 0 | 0 | 112.3 | A439 F440 Q443 I444 | A439-W478 HydrophobicContact CB-CH2 4.5Å; A439-W478 HydrophobicContact CB-CZ2 4.28Å; F440-W478 HydrophobicContact CB-CZ2 4.45Å; F440-W478 AromaticContact CD2-NE1 3.66Å; Q443-W478 HydrophobicContact CB-CH2 3.73Å; Q443-W478 HydrophobicContact CB-CZ3 4.34Å; Q443-W478 HydrophobicContact CG-CH2 4.24Å; I444-W478 HydrophobicContact CD1-CD2 3.42Å; I444-W478 VanDerWaalsContact CD1-CD2 3.42Å; I444-W478 HydrophobicContact CD1-CE3 3.75Å; I444-W478 HydrophobicContact CD1-CG 3.81Å; I444-W478 HydrophobicContact CD1-CH2 4.23Å; I444-W478 HydrophobicContact CD1-CZ2 3.95Å; I444-W478 HydrophobicContact CD1-CZ3 4.14Å; I444-W478 HydrophobicContact CG1-CD2 4.39Å; I444-W478 HydrophobicContact CG1-CE3 4.42Å; I444-W478 HydrophobicContact CG1-CH2 4.2Å; I444-W478 HydrophobicContact CG1-CZ2 4.18Å; I444-W478 HydrophobicContact CG1-CZ3 4.32Å | ||
| 479 | P | 86.7 | Confident | 85.3 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | trans | -59.9 | 132.9 | 173 | -26.1 | 37.8 | 0 | 0 | 0 | 110.9 | R436 Y477 Q484 T485 | R436-P479 WeakPolarHBondContact CD-O 3.43Å; R436-P479 PolarHBondContact NH1-O 2.84Å; Y477-P479 HydrophobicContact CD1-CG 4.16Å; Y477-P479 HydrophobicContact CE1-CG 3.5Å; Y477-P479 VanDerWaalsContact CE1-CG 3.5Å; P479-Q484 HydrophobicContact CB-CB 3.91Å; P479-T485 HydrophobicContact CB-CG2 4.17Å; P479-T485 HydrophobicContact CG-CG2 4.33Å | ||
| 480 | L | 86.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -80.3 | -27.3 | -176 | -66.2 | 177.3 | 0 | 0 | 0 | 112.3 | R436 | R436-L480 PolarHBondContact N-O 3.24Š|
| 481 | M | 85.1 | Confident | 83.6 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 14% | 0.138 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -118.5 | 151.6 | -176 | -56.6 | 175.1 | -168.7 | 0 | 0 | 111.5 | M430 D434 Y435 S483 Q484 | M430-M481 HydrophobicContact CE-CE 3.39Å; M430-M481 HydrophobicContact CE-SD 4.38Å; M430-M481 HydrophobicContact SD-CE 3.69Å; M430-M481 HydrophobicContact SD-SD 4.46Å; D434-M481 CarbonylContact O-C 3.59Å; D434-M481 WeakPolarHBondContact O-CA 3.33Å; D434-M481 WeakPolarHBondContact OD2-CB 3.4Å; Y435-M481 HydrophobicContact CD1-CG 4.19Å; Y435-M481 HydrophobicContact CE1-CE 3.96Å; Y435-M481 HydrophobicContact CE1-CG 4.27Å; M481-S483 PolarHBondContact O-N 3.29Å; M481-Q484 HydrophobicContact CB-CB 4.48Å; M481-Q484 HydrophobicContact CB-CG 4.03Å; M481-Q484 PolarHBondContact O-N 2.94Å; M481-Q484 VanDerWaalsContact O-N 3.12Å |
| 482 | E | 83.7 | Confident | 83 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -64.6 | -26.3 | 175.6 | -68.3 | -72.5 | 173.6 | 0 | 0 | 112.2 | D434 R436 Q484 | D434-E482 PolarHBondContact O-N 2.66Å; D434-E482 WeakPolarHBondContact OD1-CB 3.48Å; R436-E482 HydrophobicContact CG-CG 3.87Å; E482-Q484 VanDerWaalsContact C-N 3.29Å |
| 483 | S | 79.9 | Confident | 82.5 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 43% | 0.427 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -74.2 | -15.3 | 174.2 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | D434 M481 | D434-S483 PolarHBondContact OD1-N 2.97Å; D434-S483 VanDerWaalsContact OD2-CB 3.31Å; D434-S483 WeakPolarHBondContact OD2-CB 3.37Å; D434-S483 PolarHBondContact OD2-OG 3.27Å; M481-S483 PolarHBondContact O-N 3.29Å |
| 484 | Q | 83.6 | Confident | 82.1 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -95.5 | 8.7 | -175.2 | -69 | 177.2 | -17.3 | 0 | 0 | 113.8 | P479 M481 E482 L648 V650 | P479-Q484 HydrophobicContact CB-CB 3.91Å; M481-Q484 HydrophobicContact CB-CB 4.48Å; M481-Q484 HydrophobicContact CB-CG 4.03Å; M481-Q484 PolarHBondContact O-N 2.94Å; M481-Q484 VanDerWaalsContact O-N 3.12Å; E482-Q484 VanDerWaalsContact C-N 3.29Å; Q484-L648 VanDerWaalsContact C-CD2 3.45Å; Q484-V650 HydrophobicContact CB-CG2 4.49Å; Q484-V650 VanDerWaalsContact CD-CG2 3.49Å; Q484-V650 HydrophobicContact CG-CG2 4.22Å |
| 485 | T | 84.9 | Confident | 82 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -150.2 | 145.4 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | P479 L487 D488 E563 | P479-T485 HydrophobicContact CB-CG2 4.17Å; P479-T485 HydrophobicContact CG-CG2 4.33Å; T485-L487 PolarHBondContact OG1-N 2.87Å; T485-D488 HydrophobicContact CG2-CB 3.69Å; T485-E563 WeakPolarHBondContact CA-OE1 3.39Å; T485-E563 VanDerWaalsContact CB-OE1 3.23Å; T485-E563 WeakPolarHBondContact CB-OE1 3.25Å; T485-E563 PolarHBondContact OG1-OE1 2.93Å; T485-E563 PolarHBondContact OG1-OE2 3.26Å | ||
| 486 | L | 80.9 | Confident | 81.9 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -104 | -19 | 170.9 | -65.8 | 174.9 | 0 | 0 | 0 | 111.8 | V559 M560 E563 I644 L648 | L486-V559 HydrophobicContact CD1-CB 3.91Å; L486-V559 HydrophobicContact CD1-CG1 3.69Å; L486-M560 HydrophobicContact CB-CB 4.29Å; L486-M560 HydrophobicContact CB-CE 4.13Å; L486-M560 HydrophobicContact CB-CG 4.48Å; L486-M560 WeakPolarHBondContact O-CE 3.06Å; L486-E563 PolarHBondContact N-OE2 3.14Å; L486-I644 HydrophobicContact CD1-CG2 3.95Å; L486-L648 HydrophobicContact CD1-CD1 4.39Å; L486-L648 HydrophobicContact CG-CD1 4.41Å |
| 487 | L | 76 | Confident | 81.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -78.6 | -34.7 | -174.2 | -77.7 | 165.1 | 0 | 0 | 0 | 114.4 | T485 K489 T490 A493 F497 M560 E563 F564 I567 | T485-L487 PolarHBondContact OG1-N 2.87Å; L487-K489 PolarHBondContact O-N 3.24Å; L487-K489 VanDerWaalsContact O-N 3.11Å; L487-T490 VanDerWaalsContact O-CB 3.3Å; L487-T490 WeakPolarHBondContact O-CB 3.41Å; L487-T490 PolarHBondContact O-N 3.36Å; L487-T490 PolarHBondContact O-OG1 3.37Å; L487-A493 HydrophobicContact CD2-CB 4.49Å; L487-F497 HydrophobicContact CB-CE2 4.01Å; L487-F497 HydrophobicContact CB-CZ 3.78Å; L487-F497 HydrophobicContact CD1-CZ 4.21Å; L487-M560 HydrophobicContact CD2-CG 3.42Å; L487-M560 VanDerWaalsContact CD2-CG 3.42Å; L487-M560 HydrophobicContact CD2-SD 3.95Å; L487-M560 HydrophobicContact CG-CG 3.79Å; L487-E563 HydrophobicContact CD1-CB 3.82Å; L487-E563 HydrophobicContact CD1-CG 3.64Å; L487-E563 HydrophobicContact CG-CB 4.46Å; L487-E563 HydrophobicContact CG-CG 4.41Å; L487-E563 PolarHBondContact N-OE2 3.15Å; L487-F564 HydrophobicContact CD1-CB 3.92Å; L487-F564 HydrophobicContact CD1-CD2 4Å; L487-F564 HydrophobicContact CD1-CG 4.48Å; L487-F564 HydrophobicContact CD2-CB 4.15Å; L487-F564 HydrophobicContact CD2-CD2 3.83Å; L487-F564 HydrophobicContact CD2-CG 4.36Å; L487-I567 HydrophobicContact CD1-CD1 3.38Å |
| 488 | D | 67.8 | Low | 81.8 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.4 | -172 | -159.4 | 45.8 | 0 | 0 | 0 | 113.4 | R436 T485 T490 | R436-D488 IonicContact CZ-OD1 3.09Å; R436-D488 IonicContact CZ-OD2 2.69Å; R436-D488 IonicContact NE-OD2 2.82Å; R436-D488 PolarHBondContact NE-OD2 2.85Å; R436-D488 IonicContact NH2-OD1 2.67Å; R436-D488 PolarHBondContact NH2-OD1 3.23Å; R436-D488 IonicContact NH2-OD2 4Å; R436-D488 PolarHBondContact NH2-OD2 2.77Å; T485-D488 HydrophobicContact CG2-CB 3.69Å; D488-T490 PolarHBondContact O-N 3.17Å |
| 489 | K | 63.4 | Low | 81.9 | Confident | 106 Ų | 106 | 47.1 Ų | 47.1 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.2 | 176.5 | -67.3 | 176 | -177.7 | 162.5 | 0 | 113.5 | L487 | L487-K489 PolarHBondContact O-N 3.24Å; L487-K489 VanDerWaalsContact O-N 3.11Å |
| 490 | T | 70.1 | Confident | 82.2 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | trans | -107 | 106 | -167.3 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | L487 D488 L492 A493 L530 | L487-T490 VanDerWaalsContact O-CB 3.3Å; L487-T490 WeakPolarHBondContact O-CB 3.41Å; L487-T490 PolarHBondContact O-N 3.36Å; L487-T490 PolarHBondContact O-OG1 3.37Å; D488-T490 PolarHBondContact O-N 3.17Å; T490-L492 HydrophobicContact CG2-CB 3.76Å; T490-L492 HydrophobicContact CG2-CD1 4.33Å; T490-L492 HydrophobicContact CG2-CG 4.02Å; T490-L492 PolarHBondContact O-N 2.83Å; T490-A493 PolarHBondContact O-N 2.82Å; T490-L530 HydrophobicContact CG2-CB 3.75Å; T490-L530 HydrophobicContact CG2-CD1 4.22Å; T490-L530 HydrophobicContact CG2-CD2 3.9Å; T490-L530 HydrophobicContact CG2-CG 4.17Å | ||
| 491 | K | 77.7 | Confident | 82.4 | Confident | 158 Ų | 158 | 42.2 Ų | 42.2 | 69% | 0.687 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -56.8 | -25.5 | 174.3 | -68.6 | -179.1 | -179 | 159.5 | 0 | 113.3 | A493 A494 D532 | K491-A493 PolarHBondContact O-N 3.49Å; K491-A494 WeakPolarHBondContact O-CB 3.27Å; K491-A494 PolarHBondContact O-N 2.86Å; K491-D532 VanDerWaalsContact CE-OD2 3.32Å; K491-D532 WeakPolarHBondContact CE-OD2 3.47Å; K491-D532 IonicContact NZ-OD2 2.87Å; K491-D532 PolarHBondContact NZ-OD2 2.98Å |
| 492 | L | 80.8 | Confident | 82.7 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -62.7 | -28.5 | 176.1 | -54.5 | 179.3 | 0 | 0 | 0 | 112.4 | T490 S516 N519 I520 S523 L530 | T490-L492 HydrophobicContact CG2-CB 3.76Å; T490-L492 HydrophobicContact CG2-CD1 4.33Å; T490-L492 HydrophobicContact CG2-CG 4.02Å; T490-L492 PolarHBondContact O-N 2.83Å; L492-S516 WeakPolarHBondContact O-CB 3.13Å; L492-S516 PolarHBondContact O-OG 3.12Å; L492-N519 HydrophobicContact CD1-CB 4.48Å; L492-N519 HydrophobicContact CD2-CB 4.33Å; L492-I520 HydrophobicContact CB-CG1 3.96Å; L492-S523 WeakPolarHBondContact CD1-OG 3.39Å; L492-L530 HydrophobicContact CD1-CD2 3.34Å; L492-L530 HydrophobicContact CG-CD2 4.32Å |
| 493 | A | 84.6 | Confident | 83 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -90.2 | -3.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L487 T490 K491 P495 I496 F497 I520 | L487-A493 HydrophobicContact CD2-CB 4.49Å; T490-A493 PolarHBondContact O-N 2.82Å; K491-A493 PolarHBondContact O-N 3.49Å; A493-P495 VanDerWaalsContact C-CD 3.5Å; A493-I496 WeakPolarHBondContact O-CB 3.5Å; A493-I496 PolarHBondContact O-N 3.1Å; A493-F497 HydrophobicContact CB-CD2 3.94Å; A493-F497 HydrophobicContact CB-CE2 3.62Å; A493-F497 VanDerWaalsContact O-CD2 3.24Å; A493-F497 WeakPolarHBondContact O-CD2 3.46Å; A493-F497 PolarHBondContact O-N 2.6Å; A493-I520 HydrophobicContact CB-CD1 3.99Å |
| 494 | A | 84.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55 | -43.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K491 I496 F497 E498 | K491-A494 WeakPolarHBondContact O-CB 3.27Å; K491-A494 PolarHBondContact O-N 2.86Å; A494-I496 PolarHBondContact O-N 3.4Å; A494-F497 PolarHBondContact O-N 3.3Å; A494-E498 WeakPolarHBondContact O-CB 3.4Å; A494-E498 PolarHBondContact O-N 2.91Å |
| 495 | P | 88.6 | Confident | 84 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -31.4 | 177.6 | -23.8 | 35.5 | 0 | 0 | 0 | 113.3 | A493 N499 A512 | A493-P495 VanDerWaalsContact C-CD 3.5Å; P495-N499 WeakPolarHBondContact O-CB 3.38Å; P495-N499 PolarHBondContact O-N 3.13Å; P495-N499 PolarHBondContact O-ND2 3.22Å; P495-A512 HydrophobicContact CB-CB 4.27Å |
| 496 | I | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -50.3 | 178.6 | -60.1 | -83.5 | 0 | 0 | 0 | 109.7 | A493 A494 E498 N499 L500 C513 S516 I517 F564 | A493-I496 WeakPolarHBondContact O-CB 3.5Å; A493-I496 PolarHBondContact O-N 3.1Å; A494-I496 PolarHBondContact O-N 3.4Å; I496-E498 VanDerWaalsContact C-N 3.33Å; I496-E498 PolarHBondContact O-N 3.3Å; I496-N499 PolarHBondContact O-N 2.99Å; I496-L500 HydrophobicContact CG2-CD1 3.32Å; I496-L500 HydrophobicContact CG2-CG 3.8Å; I496-L500 WeakPolarHBondContact O-CB 3.2Å; I496-L500 VanDerWaalsContact O-CG 3.3Å; I496-L500 WeakPolarHBondContact O-CG 3.48Å; I496-L500 PolarHBondContact O-N 2.69Å; I496-C513 HydrophobicContact CD1-CB 3.92Å; I496-S516 WeakPolarHBondContact CG1-OG 3.39Å; I496-I517 HydrophobicContact CD1-CD1 4.35Å; I496-I517 HydrophobicContact CD1-CG1 4.05Å; I496-F564 HydrophobicContact CB-CE2 4.15Å; I496-F564 HydrophobicContact CB-CZ 4.44Å; I496-F564 HydrophobicContact CD1-CE2 4.22Å; I496-F564 HydrophobicContact CD1-CZ 3.63Å; I496-F564 HydrophobicContact CG1-CE2 3.86Å; I496-F564 HydrophobicContact CG1-CZ 3.72Å; I496-F564 HydrophobicContact CG2-CE2 3.78Å; I496-F564 HydrophobicContact CG2-CZ 4.15Å |
| 497 | F | 85.9 | Confident | 85 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -30.7 | -177.3 | -70 | -65.1 | 0 | 0 | 0 | 113.3 | L487 A493 A494 P501 I567 | L487-F497 HydrophobicContact CB-CE2 4.01Å; L487-F497 HydrophobicContact CB-CZ 3.78Å; L487-F497 HydrophobicContact CD1-CZ 4.21Å; A493-F497 HydrophobicContact CB-CD2 3.94Å; A493-F497 HydrophobicContact CB-CE2 3.62Å; A493-F497 VanDerWaalsContact O-CD2 3.24Å; A493-F497 WeakPolarHBondContact O-CD2 3.46Å; A493-F497 PolarHBondContact O-N 2.6Å; A494-F497 PolarHBondContact O-N 3.3Å; F497-P501 VanDerWaalsContact O-CD 3.23Å; F497-P501 WeakPolarHBondContact O-CD 3.35Å; F497-I567 HydrophobicContact CE1-CD1 3.95Å; F497-I567 HydrophobicContact CZ-CD1 4.04Å |
| 498 | E | 88.3 | Confident | 85.9 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.9 | -35.6 | 175.3 | -173.2 | 176.7 | 176.4 | 0 | 0 | 112.4 | A494 I496 | A494-E498 WeakPolarHBondContact O-CB 3.4Å; A494-E498 PolarHBondContact O-N 2.91Å; I496-E498 VanDerWaalsContact C-N 3.33Å; I496-E498 PolarHBondContact O-N 3.3Å |
| 499 | N | 91.8 | Very high | 87.2 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -100.2 | -38.9 | -169 | -67.7 | -50.3 | 0 | 0 | 0 | 114 | P495 I496 P501 K502 L505 | P495-N499 WeakPolarHBondContact O-CB 3.38Å; P495-N499 PolarHBondContact O-N 3.13Å; P495-N499 PolarHBondContact O-ND2 3.22Å; I496-N499 PolarHBondContact O-N 2.99Å; N499-P501 VanDerWaalsContact C-N 3.29Å; N499-P501 VanDerWaalsContact O-N 3.13Å; N499-K502 VanDerWaalsContact O-CB 3.22Å; N499-K502 WeakPolarHBondContact O-CB 3.13Å; N499-K502 WeakPolarHBondContact O-CG 3.39Å; N499-K502 PolarHBondContact O-N 2.76Å; N499-K502 WeakPolarHBondContact OD1-CE 3.46Å; N499-K502 PolarHBondContact OD1-NZ 2.99Å; N499-L505 HydrophobicContact CB-CD2 3.88Å; N499-L505 WeakPolarHBondContact O-CD2 3.4Å |
| 500 | L | 91.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -34.4 | -177.7 | -77.3 | -179.2 | 0 | 0 | 0 | 115.1 | I496 K502 I567 L568 Y571 H578 | I496-L500 HydrophobicContact CG2-CD1 3.32Å; I496-L500 HydrophobicContact CG2-CG 3.8Å; I496-L500 WeakPolarHBondContact O-CB 3.2Å; I496-L500 VanDerWaalsContact O-CG 3.3Å; I496-L500 WeakPolarHBondContact O-CG 3.48Å; I496-L500 PolarHBondContact O-N 2.69Å; L500-K502 PolarHBondContact O-N 3.24Å; L500-I567 HydrophobicContact CD1-CG2 3.75Å; L500-L568 HydrophobicContact CD1-CD2 4.09Å; L500-L568 HydrophobicContact CD2-CD2 4.23Å; L500-Y571 HydrophobicContact CB-CD1 3.86Å; L500-Y571 HydrophobicContact CB-CD2 4.4Å; L500-Y571 HydrophobicContact CB-CE1 4.21Å; L500-Y571 HydrophobicContact CB-CG 3.98Å; L500-Y571 HydrophobicContact CD1-CD2 4.09Å; L500-Y571 HydrophobicContact CD1-CG 4.25Å; L500-Y571 HydrophobicContact CD2-CG 4.44Å; L500-Y571 HydrophobicContact CG-CG 4.48Å; L500-Y571 WeakPolarHBondContact O-CD1 3.43Å; L500-H578 PolarHBondContact O-NE2 2.97Å |
| 501 | P | 91.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.2 | 178.1 | -21.9 | 35.9 | 0 | 0 | 0 | 115.2 | R473 Q474 F497 N499 Y571 | R473-P501 HydrophobicContact CB-CB 4.38Å; R473-P501 WeakPolarHBondContact CB-O 3.24Å; R473-P501 WeakPolarHBondContact CD-O 3.48Å; R473-P501 PolarHBondContact NE-O 3.32Å; Q474-P501 VanDerWaalsContact CD-CB 3.48Å; Q474-P501 HydrophobicContact CG-CB 4.22Å; F497-P501 VanDerWaalsContact O-CD 3.23Å; F497-P501 WeakPolarHBondContact O-CD 3.35Å; N499-P501 VanDerWaalsContact C-N 3.29Å; N499-P501 VanDerWaalsContact O-N 3.13Å; P501-Y571 HydrophobicContact CB-CE1 4.49Å; P501-Y571 HydrophobicContact CG-CE1 4.34Å |
| 502 | K | 92.2 | Very high | 90.7 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -70.6 | 156.4 | -179.6 | -65.4 | 177.6 | 177.7 | 171.7 | 0 | 111 | N499 L500 Y504 L505 E509 H578 | N499-K502 VanDerWaalsContact O-CB 3.22Å; N499-K502 WeakPolarHBondContact O-CB 3.13Å; N499-K502 WeakPolarHBondContact O-CG 3.39Å; N499-K502 PolarHBondContact O-N 2.76Å; N499-K502 WeakPolarHBondContact OD1-CE 3.46Å; N499-K502 PolarHBondContact OD1-NZ 2.99Å; L500-K502 PolarHBondContact O-N 3.24Å; K502-Y504 WeakPolarHBondContact CB-O 3.36Å; K502-L505 HydrophobicContact CB-CD2 4.11Å; K502-L505 HydrophobicContact CD-CD2 4.31Å; K502-E509 VanDerWaalsContact NZ-CD 3.35Å; K502-E509 IonicContact NZ-OE1 3.05Å; K502-E509 PolarHBondContact NZ-OE1 3Å; K502-E509 IonicContact NZ-OE2 3.23Å; K502-H578 PolarHBondContact O-CE1 3.24Å |
| 503 | E | 89.8 | Confident | 91.4 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -76.4 | -31.9 | 179.8 | -172.5 | 173.4 | -167.4 | 0 | 0 | 111.6 | R466 | R466-E503 IonicContact CZ-OE2 2.6Å; R466-E503 IonicContact NH1-OE2 2.97Å; R466-E503 PolarHBondContact NH1-OE2 3.2Å; R466-E503 IonicContact NH2-OE2 3.85Å; R466-E503 PolarHBondContact NH2-OE2 3Å |
| 504 | Y | 90.5 | Very high | 91.9 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 38% | 0.376 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -145.6 | 156.9 | 176.5 | 51.5 | -89.5 | 0 | 0 | 0 | 108.2 | K502 F716 | K502-Y504 WeakPolarHBondContact CB-O 3.36Å; Y504-F716 AromaticContact CE1-CE2 3.75Å; Y504-F716 HydrophobicContact CE1-CE2 3.75Å; Y504-F716 AromaticContact CE1-CZ 3.93Å; Y504-F716 HydrophobicContact CE1-CZ 3.93Å; Y504-F716 AromaticContact CZ-CE2 3.72Å; Y504-F716 WeakPolarHBondContact OH-CD2 3.35Å; Y504-F716 WeakPolarHBondContact OH-CE2 3.27Å; Y504-F716 WeakPolarHBondContact OH-CZ 3.44Å |
| 505 | L | 93.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | trans | -117 | 133.3 | -179.2 | -61.5 | 176.4 | 0 | 0 | 0 | 110.1 | N499 K502 E509 I510 E577 I581 | N499-L505 HydrophobicContact CB-CD2 3.88Å; N499-L505 WeakPolarHBondContact O-CD2 3.4Å; K502-L505 HydrophobicContact CB-CD2 4.11Å; K502-L505 HydrophobicContact CD-CD2 4.31Å; L505-E509 WeakPolarHBondContact CA-OE2 3.16Å; L505-I510 HydrophobicContact CB-CD1 4.38Å; L505-I510 HydrophobicContact CB-CG1 3.83Å; L505-I510 HydrophobicContact CD1-CG1 4.41Å; L505-E577 HydrophobicContact CB-CB 3.94Å; L505-E577 HydrophobicContact CB-CG 4.43Å; L505-E577 HydrophobicContact CD1-CB 4.15Å; L505-E577 HydrophobicContact CG-CB 4.35Å; L505-I581 HydrophobicContact CD1-CD1 3.33Å | ||
| 506 | E | 93.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | trans | -78 | 155 | 171.9 | -66.7 | -66.7 | 159.7 | 0 | 0 | 110.7 | N508 E509 I510 | E506-N508 PolarHBondContact O-N 3.13Å; E506-N508 VanDerWaalsContact O-N 3.1Å; E506-E509 HydrophobicContact CB-CG 4.08Å; E506-E509 PolarHBondContact N-OE2 2.74Å; E506-E509 WeakPolarHBondContact O-CA 3.18Å; E506-E509 WeakPolarHBondContact O-CB 3.44Å; E506-E509 PolarHBondContact O-N 3.05Å; E506-I510 PolarHBondContact O-N 2.94Å | ||
| 507 | P | 93.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.4 | -34.6 | -177.1 | -27.3 | 34.8 | 0 | 0 | 0 | 114.7 | E509 S511 | P507-E509 VanDerWaalsContact C-N 3.34Å; P507-S511 PolarHBondContact O-N 2.94Å; P507-S511 PolarHBondContact O-OG 3.24Å |
| 508 | N | 95.3 | Very high | 92.9 | Very high | 138 Ų | 138 | 53.5 Ų | 53.5 | 74% | 0.738 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.9 | -32.7 | 177 | -63.2 | -10.5 | 0 | 0 | 0 | 111.9 | E506 A512 | E506-N508 PolarHBondContact O-N 3.13Å; E506-N508 VanDerWaalsContact O-N 3.1Å; N508-A512 WeakPolarHBondContact O-CB 3.37Å; N508-A512 PolarHBondContact O-N 3.26Å |
| 509 | E | 94.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 50 Ų | 50 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -38.8 | 178.4 | -59.5 | 173.5 | 155.4 | 0 | 0 | 110.7 | K502 L505 E506 P507 A512 C513 | K502-E509 VanDerWaalsContact NZ-CD 3.35Å; K502-E509 IonicContact NZ-OE1 3.05Å; K502-E509 PolarHBondContact NZ-OE1 3Å; K502-E509 IonicContact NZ-OE2 3.23Å; L505-E509 WeakPolarHBondContact CA-OE2 3.16Å; E506-E509 HydrophobicContact CB-CG 4.08Å; E506-E509 PolarHBondContact N-OE2 2.74Å; E506-E509 WeakPolarHBondContact O-CA 3.18Å; E506-E509 WeakPolarHBondContact O-CB 3.44Å; E506-E509 PolarHBondContact O-N 3.05Å; P507-E509 VanDerWaalsContact C-N 3.34Å; E509-A512 PolarHBondContact O-N 3.25Å; E509-C513 PolarHBondContact O-N 3.19Å; E509-C513 PolarHBondContact O-SG 2.59Å |
| 510 | I | 94.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 172.2 | -59.7 | 171.2 | 0 | 0 | 0 | 109.6 | L505 E506 A512 C513 E514 E577 I581 | L505-I510 HydrophobicContact CB-CD1 4.38Å; L505-I510 HydrophobicContact CB-CG1 3.83Å; L505-I510 HydrophobicContact CD1-CG1 4.41Å; E506-I510 PolarHBondContact O-N 2.94Å; I510-A512 VanDerWaalsContact C-N 3.29Å; I510-A512 PolarHBondContact O-N 3.33Å; I510-C513 WeakPolarHBondContact O-CA 3.45Å; I510-C513 WeakPolarHBondContact O-CB 3.5Å; I510-C513 PolarHBondContact O-N 3.39Å; I510-E514 HydrophobicContact CG2-CG 4.38Å; I510-E514 WeakPolarHBondContact O-CG 3.43Å; I510-E514 PolarHBondContact O-N 3.23Å; I510-E577 HydrophobicContact CD1-CB 3.84Å; I510-E577 HydrophobicContact CD1-CG 3.8Å; I510-E577 HydrophobicContact CG1-CB 4.35Å; I510-I581 HydrophobicContact CG2-CG1 4.36Å |
| 511 | S | 95.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58 | -41 | 179.5 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | P507 E514 E515 | P507-S511 PolarHBondContact O-N 2.94Å; P507-S511 PolarHBondContact O-OG 3.24Å; S511-E514 PolarHBondContact O-N 3.05Å; S511-E515 PolarHBondContact O-N 2.78Å |
| 512 | A | 94.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P495 N508 E509 I510 S516 | P495-A512 HydrophobicContact CB-CB 4.27Å; N508-A512 WeakPolarHBondContact O-CB 3.37Å; N508-A512 PolarHBondContact O-N 3.26Å; E509-A512 PolarHBondContact O-N 3.25Å; I510-A512 VanDerWaalsContact C-N 3.29Å; I510-A512 PolarHBondContact O-N 3.33Å; A512-S516 VanDerWaalsContact O-CB 3.3Å; A512-S516 WeakPolarHBondContact O-CB 3.26Å; A512-S516 PolarHBondContact O-N 2.86Å |
| 513 | C | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 173.9 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | I496 E509 I510 S516 I517 I581 | I496-C513 HydrophobicContact CD1-CB 3.92Å; E509-C513 PolarHBondContact O-N 3.19Å; E509-C513 PolarHBondContact O-SG 2.59Å; I510-C513 WeakPolarHBondContact O-CA 3.45Å; I510-C513 WeakPolarHBondContact O-CB 3.5Å; I510-C513 PolarHBondContact O-N 3.39Å; C513-S516 WeakPolarHBondContact O-CB 3.4Å; C513-S516 PolarHBondContact O-N 3.27Å; C513-I517 WeakPolarHBondContact O-CG1 3.38Å; C513-I517 PolarHBondContact O-N 3.4Å; C513-I581 HydrophobicContact CB-CD1 3.72Å; C513-I581 HydrophobicContact CB-CG1 4.25Å; C513-I581 HydrophobicContact CB-CG2 4.32Å |
| 514 | E | 94.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.4 | -70 | -177.7 | 165.3 | 0 | 0 | 111.8 | I510 S511 S516 I517 V518 Y584 | I510-E514 HydrophobicContact CG2-CG 4.38Å; I510-E514 WeakPolarHBondContact O-CG 3.43Å; I510-E514 PolarHBondContact O-N 3.23Å; S511-E514 PolarHBondContact O-N 3.05Å; E514-S516 VanDerWaalsContact C-N 3.33Å; E514-S516 PolarHBondContact O-N 3.4Å; E514-I517 WeakPolarHBondContact O-CB 3.42Å; E514-I517 PolarHBondContact O-N 2.91Å; E514-V518 WeakPolarHBondContact O-CG2 3.23Å; E514-V518 PolarHBondContact O-N 3.17Å; E514-Y584 HydrophobicContact CB-CD1 4.11Å; E514-Y584 HydrophobicContact CB-CE1 3.8Å; E514-Y584 HydrophobicContact CB-CE2 4.36Å; E514-Y584 HydrophobicContact CG-CD1 3.9Å; E514-Y584 HydrophobicContact CG-CD2 4Å; E514-Y584 HydrophobicContact CG-CE1 4.05Å; E514-Y584 HydrophobicContact CG-CE2 4.14Å; E514-Y584 HydrophobicContact CG-CG 3.87Å |
| 515 | E | 93.9 | Very high | 90.9 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 61% | 0.607 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 174.6 | -171.7 | -174.9 | 171.9 | 0 | 0 | 111.4 | S511 I517 V518 N519 | S511-E515 PolarHBondContact O-N 2.78Å; E515-I517 PolarHBondContact O-N 3.42Å; E515-V518 PolarHBondContact O-N 3.25Å; E515-N519 WeakPolarHBondContact O-CB 3.46Å; E515-N519 VanDerWaalsContact O-CG 3.26Å; E515-N519 PolarHBondContact O-N 2.64Å; E515-N519 PolarHBondContact O-ND2 2.83Å; E515-N519 VanDerWaalsContact O-ND2 3.15Å |
| 516 | S | 92 | Very high | 90.1 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 174 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L492 I496 A512 C513 E514 V518 N519 I520 | L492-S516 WeakPolarHBondContact O-CB 3.13Å; L492-S516 PolarHBondContact O-OG 3.12Å; I496-S516 WeakPolarHBondContact CG1-OG 3.39Å; A512-S516 VanDerWaalsContact O-CB 3.3Å; A512-S516 WeakPolarHBondContact O-CB 3.26Å; A512-S516 PolarHBondContact O-N 2.86Å; C513-S516 WeakPolarHBondContact O-CB 3.4Å; C513-S516 PolarHBondContact O-N 3.27Å; E514-S516 VanDerWaalsContact C-N 3.33Å; E514-S516 PolarHBondContact O-N 3.4Å; S516-V518 PolarHBondContact O-N 3.34Å; S516-N519 PolarHBondContact O-N 3.26Å; S516-I520 WeakPolarHBondContact O-CB 3.37Å; S516-I520 VanDerWaalsContact O-CG1 3.26Å; S516-I520 WeakPolarHBondContact O-CG1 3.36Å; S516-I520 PolarHBondContact O-N 3.28Å |
| 517 | I | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 176.2 | -76.4 | 164.5 | 0 | 0 | 0 | 111.2 | I496 C513 E514 E515 N519 I520 V521 F564 I581 Y584 W585 T588 | I496-I517 HydrophobicContact CD1-CD1 4.35Å; I496-I517 HydrophobicContact CD1-CG1 4.05Å; C513-I517 WeakPolarHBondContact O-CG1 3.38Å; C513-I517 PolarHBondContact O-N 3.4Å; E514-I517 WeakPolarHBondContact O-CB 3.42Å; E514-I517 PolarHBondContact O-N 2.91Å; E515-I517 PolarHBondContact O-N 3.42Å; I517-N519 VanDerWaalsContact C-N 3.3Å; I517-N519 PolarHBondContact O-N 2.85Å; I517-I520 PolarHBondContact O-N 2.81Å; I517-V521 HydrophobicContact CG2-CG2 4.37Å; I517-V521 WeakPolarHBondContact O-CG2 3.35Å; I517-V521 PolarHBondContact O-N 2.9Å; I517-F564 HydrophobicContact CG1-CE1 4.03Å; I517-F564 HydrophobicContact CG1-CZ 4.17Å; I517-I581 HydrophobicContact CD1-CG2 3.75Å; I517-Y584 HydrophobicContact CB-CD1 4.2Å; I517-Y584 HydrophobicContact CB-CE1 4.31Å; I517-Y584 HydrophobicContact CD1-CD1 4.01Å; I517-Y584 HydrophobicContact CG2-CD1 3.84Å; I517-Y584 HydrophobicContact CG2-CE1 4Å; I517-W585 HydrophobicContact CD1-CB 4.18Å; I517-W585 HydrophobicContact CG2-CE3 3.92Å; I517-T588 HydrophobicContact CG2-CG2 4.27Å |
| 518 | V | 91 | Very high | 87.2 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 179.8 | 173 | 0 | 0 | 0 | 0 | 110.6 | E514 E515 S516 I520 V521 N522 Y584 | E514-V518 WeakPolarHBondContact O-CG2 3.23Å; E514-V518 PolarHBondContact O-N 3.17Å; E515-V518 PolarHBondContact O-N 3.25Å; S516-V518 PolarHBondContact O-N 3.34Å; V518-I520 PolarHBondContact O-N 3.08Å; V518-V521 PolarHBondContact O-N 2.81Å; V518-N522 WeakPolarHBondContact CG1-ND2 3.46Å; V518-N522 WeakPolarHBondContact O-CB 3.49Å; V518-N522 PolarHBondContact O-N 2.99Å; V518-N522 PolarHBondContact O-ND2 2.74Å; V518-Y584 HydrophobicContact CG2-CE1 4.03Å; V518-Y584 WeakPolarHBondContact CG2-OH 3.33Å |
| 519 | N | 88.6 | Confident | 85.3 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -40.7 | 179.3 | -71.1 | -30.1 | 0 | 0 | 0 | 112.6 | L492 E515 S516 I517 S523 | L492-N519 HydrophobicContact CD1-CB 4.48Å; L492-N519 HydrophobicContact CD2-CB 4.33Å; E515-N519 WeakPolarHBondContact O-CB 3.46Å; E515-N519 VanDerWaalsContact O-CG 3.26Å; E515-N519 PolarHBondContact O-N 2.64Å; E515-N519 PolarHBondContact O-ND2 2.83Å; E515-N519 VanDerWaalsContact O-ND2 3.15Å; S516-N519 PolarHBondContact O-N 3.26Å; I517-N519 VanDerWaalsContact C-N 3.3Å; I517-N519 PolarHBondContact O-N 2.85Å; N519-S523 WeakPolarHBondContact O-CB 3.4Å; N519-S523 PolarHBondContact O-N 3.03Å; N519-S523 PolarHBondContact O-OG 3.5Å |
| 520 | I | 86.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -49.2 | 176.2 | -70.3 | 166 | 0 | 0 | 0 | 110.4 | L492 A493 S516 I517 V518 N522 S523 I524 F564 W585 | L492-I520 HydrophobicContact CB-CG1 3.96Å; A493-I520 HydrophobicContact CB-CD1 3.99Å; S516-I520 WeakPolarHBondContact O-CB 3.37Å; S516-I520 VanDerWaalsContact O-CG1 3.26Å; S516-I520 WeakPolarHBondContact O-CG1 3.36Å; S516-I520 PolarHBondContact O-N 3.28Å; I517-I520 PolarHBondContact O-N 2.81Å; V518-I520 PolarHBondContact O-N 3.08Å; I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.08Å; I520-S523 PolarHBondContact O-N 3.39Å; I520-S523 VanDerWaalsContact O-N 3.16Å; I520-I524 HydrophobicContact CG2-CD1 3.61Å; I520-I524 HydrophobicContact CG2-CG1 4.4Å; I520-I524 WeakPolarHBondContact O-CG1 3.28Å; I520-I524 PolarHBondContact O-N 3.49Å; I520-F564 HydrophobicContact CD1-CE1 4.44Å; I520-F564 HydrophobicContact CD1-CE2 3.93Å; I520-F564 HydrophobicContact CD1-CZ 3.85Å; I520-W585 HydrophobicContact CG2-CZ3 4.46Å |
| 521 | V | 88.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -43 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | I517 V518 S523 I524 K525 W585 T588 I589 | I517-V521 HydrophobicContact CG2-CG2 4.37Å; I517-V521 WeakPolarHBondContact O-CG2 3.35Å; I517-V521 PolarHBondContact O-N 2.9Å; V518-V521 PolarHBondContact O-N 2.81Å; V521-S523 VanDerWaalsContact C-N 3.32Å; V521-S523 PolarHBondContact O-N 2.82Å; V521-I524 PolarHBondContact O-N 3.07Å; V521-K525 HydrophobicContact CG1-CD 4.07Å; V521-K525 HydrophobicContact CG1-CG 4.46Å; V521-K525 WeakPolarHBondContact O-CG 3.46Å; V521-K525 PolarHBondContact O-N 2.84Å; V521-W585 HydrophobicContact CG2-CE3 3.99Å; V521-W585 HydrophobicContact CG2-CH2 4.24Å; V521-W585 HydrophobicContact CG2-CZ3 3.45Å; V521-W585 VanDerWaalsContact CG2-CZ3 3.45Å; V521-T588 HydrophobicContact CB-CG2 4.08Å; V521-T588 HydrophobicContact CG1-CG2 4.11Å; V521-T588 HydrophobicContact CG2-CG2 3.83Å; V521-I589 HydrophobicContact CG2-CG2 4.19Å |
| 522 | N | 86.1 | Confident | 78.9 | Confident | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.8 | -73.9 | -23.3 | 0 | 0 | 0 | 111.9 | V518 I520 K525 Q526 | V518-N522 WeakPolarHBondContact CG1-ND2 3.46Å; V518-N522 WeakPolarHBondContact O-CB 3.49Å; V518-N522 PolarHBondContact O-N 2.99Å; V518-N522 PolarHBondContact O-ND2 2.74Å; I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.08Å; N522-K525 PolarHBondContact O-N 2.82Å; N522-Q526 WeakPolarHBondContact O-CG 3.4Å; N522-Q526 PolarHBondContact O-N 2.79Å |
| 523 | S | 82.8 | Confident | 76.4 | Confident | 21 Ų | 21 | 50 Ų | 50 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | L492 N519 I520 V521 Q526 H527 V528 L530 | L492-S523 WeakPolarHBondContact CD1-OG 3.39Å; N519-S523 WeakPolarHBondContact O-CB 3.4Å; N519-S523 PolarHBondContact O-N 3.03Å; N519-S523 PolarHBondContact O-OG 3.5Å; I520-S523 PolarHBondContact O-N 3.39Å; I520-S523 VanDerWaalsContact O-N 3.16Å; V521-S523 VanDerWaalsContact C-N 3.32Å; V521-S523 PolarHBondContact O-N 2.82Å; S523-Q526 PolarHBondContact O-N 3.23Å; S523-H527 PolarHBondContact O-N 2.84Å; S523-H527 VanDerWaalsContact O-N 3.17Å; S523-V528 PolarHBondContact O-N 3.45Å; S523-L530 VanDerWaalsContact CB-CD2 3.44Å |
| 524 | I | 82.4 | Confident | 73.9 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 174 | -69.8 | 160.8 | 0 | 0 | 0 | 110.3 | I520 V521 Q526 H527 A557 A561 W585 L615 | I520-I524 HydrophobicContact CG2-CD1 3.61Å; I520-I524 HydrophobicContact CG2-CG1 4.4Å; I520-I524 WeakPolarHBondContact O-CG1 3.28Å; I520-I524 PolarHBondContact O-N 3.49Å; V521-I524 PolarHBondContact O-N 3.07Å; I524-Q526 VanDerWaalsContact C-N 3.3Å; I524-Q526 PolarHBondContact O-N 3.06Å; I524-H527 PolarHBondContact O-N 3.22Å; I524-A557 HydrophobicContact CG1-CB 4.47Å; I524-A557 HydrophobicContact CG2-CB 4.17Å; I524-A561 HydrophobicContact CD1-CB 3.84Å; I524-W585 HydrophobicContact CD1-CH2 4.36Å; I524-L615 HydrophobicContact CG2-CD1 3.76Å; I524-L615 HydrophobicContact CG2-CD2 4.02Å |
| 525 | K | 80 | Confident | 71.3 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 178.6 | -75.9 | 176.3 | 177 | 177.2 | 0 | 113 | V521 N522 S592 | V521-K525 HydrophobicContact CG1-CD 4.07Å; V521-K525 HydrophobicContact CG1-CG 4.46Å; V521-K525 WeakPolarHBondContact O-CG 3.46Å; V521-K525 PolarHBondContact O-N 2.84Å; N522-K525 PolarHBondContact O-N 2.82Å; K525-S592 WeakPolarHBondContact CE-OG 3.38Å; K525-S592 PolarHBondContact NZ-OG 3.09Å |
| 526 | Q | 76.2 | Confident | 68.4 | Low | 141 Ų | 141 | 64.3 Ų | 64.3 | 66% | 0.659 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.1 | 176.5 | -67.4 | 177.2 | 4.1 | 0 | 0 | 112.9 | N522 S523 I524 V528 | N522-Q526 WeakPolarHBondContact O-CG 3.4Å; N522-Q526 PolarHBondContact O-N 2.79Å; S523-Q526 PolarHBondContact O-N 3.23Å; I524-Q526 VanDerWaalsContact C-N 3.3Å; I524-Q526 PolarHBondContact O-N 3.06Å; Q526-V528 HydrophobicContact CB-CG2 3.74Å; Q526-V528 PolarHBondContact O-N 3.11Å |
| 527 | H | 67.7 | Low | 65.6 | Low | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.3 | -176.4 | -54.3 | -71.3 | 0 | 0 | 0 | 113.6 | S523 I524 V549 | S523-H527 PolarHBondContact O-N 2.84Å; S523-H527 VanDerWaalsContact O-N 3.17Å; I524-H527 PolarHBondContact O-N 3.22Å; H527-V549 HydrophobicContact CB-CB 4.37Å; H527-V549 HydrophobicContact CB-CG1 3.47Å; H527-V549 VanDerWaalsContact CB-CG1 3.47Å; H527-V549 HydrophobicContact CB-CG2 3.96Å |
| 528 | V | 59.3 | Low | 62.7 | Low | 81 Ų | 81 | 73.1 Ų | 73.1 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | trans | -86.3 | 132.1 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | S523 Q526 L530 | S523-V528 PolarHBondContact O-N 3.45Å; Q526-V528 HydrophobicContact CB-CG2 3.74Å; Q526-V528 PolarHBondContact O-N 3.11Å; V528-L530 PolarHBondContact O-N 3.38Å | ||
| 529 | C | 55.5 | Low | 59.9 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | trans | -64.4 | 119.2 | 174.3 | -165.8 | 0 | 0 | 0 | 0 | 109.3 | S531 L553 | C529-S531 VanDerWaalsContact C-N 3.28Å; C529-S531 PolarHBondContact O-N 3.06Å; C529-S531 PolarHBondContact SG-OG 2.82Å; C529-L553 HydrophobicContact CB-CD2 3.81Å | ||
| 530 | L | 55.7 | Low | 57.2 | Low | 25 Ų | 25 | 88.7 Ų | 88.7 | 13% | 0.131 | 45% | 0.451 | C | S | . | . | trans | -82 | -5.6 | -175.4 | -78.7 | 171.9 | 0 | 0 | 0 | 113.9 | T490 L492 S523 V528 M560 | T490-L530 HydrophobicContact CG2-CB 3.75Å; T490-L530 HydrophobicContact CG2-CD1 4.22Å; T490-L530 HydrophobicContact CG2-CD2 3.9Å; T490-L530 HydrophobicContact CG2-CG 4.17Å; L492-L530 HydrophobicContact CD1-CD2 3.34Å; L492-L530 HydrophobicContact CG-CD2 4.32Å; S523-L530 VanDerWaalsContact CB-CD2 3.44Å; V528-L530 PolarHBondContact O-N 3.38Å; L530-M560 HydrophobicContact CB-CE 3.83Å; L530-M560 HydrophobicContact CB-SD 4.26Å; L530-M560 HydrophobicContact CD1-CE 3.89Å; L530-M560 HydrophobicContact CD1-SD 3.25Å; L530-M560 WeakPolarHBondContact CD1-SD 3.41Å; L530-M560 HydrophobicContact CG-CE 4.45Å; L530-M560 HydrophobicContact CG-SD 4.35Å | ||
| 531 | S | 50.9 | Low | 54.6 | Low | 37 Ų | 37 | 91.8 Ų | 91.8 | 26% | 0.259 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -84.4 | 124.2 | 174 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | C529 S533 | C529-S531 VanDerWaalsContact C-N 3.28Å; C529-S531 PolarHBondContact O-N 3.06Å; C529-S531 PolarHBondContact SG-OG 2.82Å; S531-S533 PolarHBondContact O-N 2.84Å |
| 532 | D | 44.3 | Very low | 51.8 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 32% | 0.316 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -57 | -13.3 | -178 | -97 | -21.6 | 0 | 0 | 0 | 113.6 | K491 R534 K535 | K491-D532 VanDerWaalsContact CE-OD2 3.32Å; K491-D532 WeakPolarHBondContact CE-OD2 3.47Å; K491-D532 IonicContact NZ-OD2 2.87Å; K491-D532 PolarHBondContact NZ-OD2 2.98Å; D532-R534 VanDerWaalsContact C-N 3.26Å; D532-R534 PolarHBondContact O-N 3.44Å; D532-R534 VanDerWaalsContact O-N 3.13Å; D532-K535 PolarHBondContact O-N 3.35Å; D532-K535 VanDerWaalsContact OD1-CE 3.26Å; D532-K535 WeakPolarHBondContact OD1-CE 2.99Å; D532-K535 IonicContact OD1-NZ 2.99Å; D532-K535 PolarHBondContact OD1-NZ 3.34Å |
| 533 | S | 41.3 | Very low | 49.2 | Very low | 116 Ų | 116 | 99.6 Ų | 99.6 | 81% | 0.811 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -73.1 | -3.3 | -169.8 | -161.8 | 0 | 0 | 0 | 0 | 115.9 | S531 | S531-S533 PolarHBondContact O-N 2.84Š|
| 534 | R | 43 | Very low | 46.7 | Very low | 153 Ų | 153 | 104.9 Ų | 104.9 | 58% | 0.577 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -116.2 | 17 | 175.5 | -66.5 | -170.2 | -168.8 | 164.4 | 9.5 | 114.7 | D532 N536 S537 | D532-R534 VanDerWaalsContact C-N 3.26Å; D532-R534 PolarHBondContact O-N 3.44Å; D532-R534 VanDerWaalsContact O-N 3.13Å; R534-N536 PolarHBondContact O-N 2.88Å; R534-S537 PolarHBondContact O-N 3.37Å |
| 535 | K | 38.2 | Very low | 44.2 | Very low | 163 Ų | 163 | 107.6 Ų | 107.6 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -6.3 | 179.9 | -88 | 179.4 | 173.2 | 165.2 | 0 | 116 | D532 | D532-K535 PolarHBondContact O-N 3.35Å; D532-K535 VanDerWaalsContact OD1-CE 3.26Å; D532-K535 WeakPolarHBondContact OD1-CE 2.99Å; D532-K535 IonicContact OD1-NZ 2.99Å; D532-K535 PolarHBondContact OD1-NZ 3.34Å |
| 536 | N | 33.1 | Very low | 42.3 | Very low | 173 Ų | 173 | 110.3 Ų | 110.3 | 93% | 0.925 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 3.8 | 176 | -75.1 | -4.2 | 0 | 0 | 0 | 115.2 | R534 | R534-N536 PolarHBondContact O-N 2.88Š|
| 537 | S | 33.1 | Very low | 40.7 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -141.1 | 71.4 | 176.7 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | R534 | R534-S537 PolarHBondContact O-N 3.37Š|
| 538 | S | 32.5 | Very low | 40.2 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | 166.4 | 84.4 | 140.3 | -76.9 | 0 | 0 | 0 | 0 | 111.6 | R540 | S538-R540 VanDerWaalsContact C-N 3.26Å; S538-R540 PolarHBondContact O-N 2.98Å | ||
| 539 | K | 33.2 | Very low | 40.3 | Very low | 221 Ų | 221 | 112.4 Ų | 112.4 | 96% | 0.961 | 66% | 0.656 | S | S | * | * | trans | -78.5 | 86.3 | 134.7 | -95.6 | 179.7 | 175.3 | 174.3 | 0 | 106.1 | ||||
| 540 | R | 31.5 | Very low | 41.1 | Very low | 218 Ų | 218 | 113.1 Ų | 113.1 | 82% | 0.823 | 67% | 0.665 | S | S | * | * | trans | -113 | 120.1 | 159.4 | -97.3 | -173.8 | -179.7 | 177.8 | 1.3 | 107.3 | S538 | S538-R540 VanDerWaalsContact C-N 3.26Å; S538-R540 PolarHBondContact O-N 2.98Å | ||
| 541 | G | 31.3 | Very low | 42.1 | Very low | 65 Ų | 65 | 115.9 Ų | 115.9 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | trans | -63.4 | 157.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S543 | G541-S543 VanDerWaalsContact C-N 3.34Å; G541-S543 PolarHBondContact O-N 3.42Å | ||
| 542 | S | 30.4 | Very low | 43.5 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 96% | 0.958 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -54.7 | 92 | 163.7 | -50.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 543 | S | 30.7 | Very low | 45.3 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -157.9 | 107.5 | 161.7 | 61 | 0 | 0 | 0 | 0 | 110.3 | G541 | G541-S543 VanDerWaalsContact C-N 3.34Å; G541-S543 PolarHBondContact O-N 3.42Å | ||
| 544 | S | 30.2 | Very low | 47.2 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 92% | 0.923 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 42.2 | 95.7 | 140.8 | 176.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 545 | G | 30.6 | Very low | 49.2 | Very low | 63 Ų | 63 | 105.3 Ų | 105.3 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | trans | 149.4 | 101.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L547 | G545-L547 VanDerWaalsContact C-N 3.29Å; G545-L547 PolarHBondContact O-N 2.88Å | ||
| 546 | T | 39.7 | Very low | 51.4 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 95% | 0.945 | 61% | 0.606 | S | S | * | * | trans | -62.6 | 85 | 173.4 | 9.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 547 | L | 43.1 | Very low | 53.9 | Low | 144 Ų | 144 | 92 Ų | 92 | 75% | 0.754 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 139.5 | 164.3 | -79.7 | 162.9 | 0 | 0 | 0 | 108.5 | G545 V549 | G545-L547 VanDerWaalsContact C-N 3.29Å; G545-L547 PolarHBondContact O-N 2.88Å; L547-V549 PolarHBondContact O-N 3.42Å |
| 548 | P | 55.7 | Low | 56.5 | Low | 119 Ų | 119 | 88 Ų | 88 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 126.3 | 178.5 | 23.9 | -30.8 | 0 | 0 | 0 | 109.6 | A550 | P548-A550 PolarHBondContact O-N 2.91Š|
| 549 | V | 62.6 | Low | 59.1 | Low | 57 Ų | 57 | 83.1 Ų | 83.1 | 35% | 0.345 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.9 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | H527 L547 P551 L553 Q554 | H527-V549 HydrophobicContact CB-CB 4.37Å; H527-V549 HydrophobicContact CB-CG1 3.47Å; H527-V549 VanDerWaalsContact CB-CG1 3.47Å; H527-V549 HydrophobicContact CB-CG2 3.96Å; L547-V549 PolarHBondContact O-N 3.42Å; V549-P551 WeakPolarHBondContact O-CD 3.35Å; V549-L553 HydrophobicContact CG1-CB 4.34Å; V549-Q554 HydrophobicContact CG1-CB 4.15Å |
| 550 | A | 72.6 | Confident | 61.7 | Low | 50 Ų | 50 | 73.2 Ų | 73.2 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59 | 126 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | P548 V552 L553 Q554 | P548-A550 PolarHBondContact O-N 2.91Å; A550-V552 PolarHBondContact O-N 3.25Å; A550-L553 HydrophobicContact CB-CD1 4.21Å; A550-L553 HydrophobicContact CB-CG 4.37Å; A550-L553 PolarHBondContact O-N 3.35Å; A550-Q554 PolarHBondContact O-N 3.11Å |
| 551 | P | 75.8 | Confident | 64.4 | Low | 84 Ų | 84 | 62.9 Ų | 62.9 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -53.3 | -29.7 | -175.6 | -29.8 | 34.6 | 0 | 0 | 0 | 114.2 | V549 A555 | V549-P551 WeakPolarHBondContact O-CD 3.35Å; P551-A555 VanDerWaalsContact O-CB 3.32Å; P551-A555 WeakPolarHBondContact O-CB 3.48Å; P551-A555 PolarHBondContact O-N 3.43Å |
| 552 | V | 81.4 | Confident | 67.2 | Low | 75 Ų | 75 | 59.8 Ų | 59.8 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | A550 A555 E556 A640 I644 | A550-V552 PolarHBondContact O-N 3.25Å; V552-A555 PolarHBondContact O-N 3.45Å; V552-E556 WeakPolarHBondContact O-CG 3.47Å; V552-E556 PolarHBondContact O-N 3.47Å; V552-A640 HydrophobicContact CG2-CB 4.19Å; V552-I644 HydrophobicContact CG1-CD1 4.21Å |
| 553 | L | 80.8 | Confident | 70 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | -179.8 | -71.5 | 173.3 | 0 | 0 | 0 | 111.7 | C529 V549 A550 A555 E556 A557 | C529-L553 HydrophobicContact CB-CD2 3.81Å; V549-L553 HydrophobicContact CG1-CB 4.34Å; A550-L553 HydrophobicContact CB-CD1 4.21Å; A550-L553 HydrophobicContact CB-CG 4.37Å; A550-L553 PolarHBondContact O-N 3.35Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-E556 PolarHBondContact O-N 2.98Å; L553-A557 WeakPolarHBondContact O-CB 3.45Å; L553-A557 PolarHBondContact O-N 2.97Å |
| 554 | Q | 81.9 | Confident | 72.9 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.8 | -173.8 | 179.6 | 22.6 | 0 | 0 | 110.7 | V549 A550 A557 I558 F610 N611 | V549-Q554 HydrophobicContact CG1-CB 4.15Å; A550-Q554 PolarHBondContact O-N 3.11Å; Q554-A557 PolarHBondContact O-N 2.81Å; Q554-I558 HydrophobicContact CG-CD1 3.99Å; Q554-I558 WeakPolarHBondContact O-CD1 3.28Å; Q554-I558 VanDerWaalsContact O-CG1 3.26Å; Q554-I558 WeakPolarHBondContact O-CG1 3.27Å; Q554-I558 PolarHBondContact O-N 3.41Å; Q554-I558 VanDerWaalsContact O-N 3.11Å; Q554-F610 HydrophobicContact CG-CE1 4.39Å; Q554-N611 PolarHBondContact NE2-OD1 3.15Å; Q554-N611 VanDerWaalsContact NE2-OD1 3.09Å |
| 555 | A | 84.7 | Confident | 75.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P551 V552 L553 A557 I558 V559 A640 L641 I644 | P551-A555 VanDerWaalsContact O-CB 3.32Å; P551-A555 WeakPolarHBondContact O-CB 3.48Å; P551-A555 PolarHBondContact O-N 3.43Å; V552-A555 PolarHBondContact O-N 3.45Å; L553-A555 VanDerWaalsContact C-N 3.32Å; A555-A557 VanDerWaalsContact C-N 3.3Å; A555-A557 PolarHBondContact O-N 3.32Å; A555-I558 PolarHBondContact O-N 3.32Å; A555-V559 WeakPolarHBondContact O-CG2 3.46Å; A555-V559 PolarHBondContact O-N 3.39Å; A555-A640 HydrophobicContact CB-CB 3.94Å; A555-L641 HydrophobicContact CB-CB 4.09Å; A555-L641 HydrophobicContact CB-CD1 4.32Å; A555-I644 HydrophobicContact CB-CD1 3.78Å |
| 556 | E | 85.2 | Confident | 78.7 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 175.4 | -75.4 | 177.4 | 179.1 | 0 | 0 | 111.7 | V552 L553 I558 V559 M560 I644 | V552-E556 WeakPolarHBondContact O-CG 3.47Å; V552-E556 PolarHBondContact O-N 3.47Å; L553-E556 PolarHBondContact O-N 2.98Å; E556-I558 PolarHBondContact O-N 3.17Å; E556-V559 PolarHBondContact O-N 2.86Å; E556-M560 VanDerWaalsContact O-CB 3.31Å; E556-M560 WeakPolarHBondContact O-CB 3.42Å; E556-M560 PolarHBondContact O-N 3.02Å; E556-I644 HydrophobicContact CG-CD1 3.74Å |
| 557 | A | 84.6 | Confident | 81.2 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I524 L553 Q554 A555 A561 | I524-A557 HydrophobicContact CG1-CB 4.47Å; I524-A557 HydrophobicContact CG2-CB 4.17Å; L553-A557 WeakPolarHBondContact O-CB 3.45Å; L553-A557 PolarHBondContact O-N 2.97Å; Q554-A557 PolarHBondContact O-N 2.81Å; A555-A557 VanDerWaalsContact C-N 3.3Å; A555-A557 PolarHBondContact O-N 3.32Å; A557-A561 WeakPolarHBondContact O-CB 3.5Å; A557-A561 PolarHBondContact O-N 3.32Å |
| 558 | I | 87.1 | Confident | 83.6 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.2 | -41.4 | 178.9 | -66.1 | 165.3 | 0 | 0 | 0 | 111.1 | Q554 A555 E556 M560 A561 T562 F610 M618 A622 L641 | Q554-I558 HydrophobicContact CG-CD1 3.99Å; Q554-I558 WeakPolarHBondContact O-CD1 3.28Å; Q554-I558 VanDerWaalsContact O-CG1 3.26Å; Q554-I558 WeakPolarHBondContact O-CG1 3.27Å; Q554-I558 PolarHBondContact O-N 3.41Å; Q554-I558 VanDerWaalsContact O-N 3.11Å; A555-I558 PolarHBondContact O-N 3.32Å; E556-I558 PolarHBondContact O-N 3.17Å; I558-M560 VanDerWaalsContact C-N 3.34Å; I558-A561 PolarHBondContact O-N 2.92Å; I558-T562 WeakPolarHBondContact O-CB 3.38Å; I558-T562 PolarHBondContact O-N 3.09Å; I558-T562 PolarHBondContact O-OG1 3.23Å; I558-F610 HydrophobicContact CD1-CE1 3.9Å; I558-F610 HydrophobicContact CD1-CE2 4.46Å; I558-F610 HydrophobicContact CD1-CZ 3.41Å; I558-F610 VanDerWaalsContact CD1-CZ 3.41Å; I558-M618 HydrophobicContact CD1-CB 4.06Å; I558-M618 HydrophobicContact CD1-CG 4.11Å; I558-M618 HydrophobicContact CD1-SD 3.56Å; I558-M618 VanDerWaalsContact CD1-SD 3.56Å; I558-M618 HydrophobicContact CG1-CB 4.22Å; I558-M618 HydrophobicContact CG1-SD 4.08Å; I558-M618 HydrophobicContact CG2-CB 4.07Å; I558-A622 HydrophobicContact CG2-CB 3.97Å; I558-L641 HydrophobicContact CB-CD1 4.13Å; I558-L641 HydrophobicContact CG2-CD1 3.93Å |
| 559 | V | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | L486 A555 E556 A561 T562 E563 L641 I644 M645 L648 | L486-V559 HydrophobicContact CD1-CB 3.91Å; L486-V559 HydrophobicContact CD1-CG1 3.69Å; A555-V559 WeakPolarHBondContact O-CG2 3.46Å; A555-V559 PolarHBondContact O-N 3.39Å; E556-V559 PolarHBondContact O-N 2.86Å; V559-A561 PolarHBondContact O-N 3.42Å; V559-T562 WeakPolarHBondContact O-CB 3.42Å; V559-T562 PolarHBondContact O-N 3.37Å; V559-T562 VanDerWaalsContact O-N 3.14Å; V559-E563 PolarHBondContact O-N 3.32Å; V559-L641 HydrophobicContact CG2-CD1 3.74Å; V559-I644 HydrophobicContact CB-CG2 4.04Å; V559-I644 HydrophobicContact CG1-CG2 4.09Å; V559-I644 HydrophobicContact CG2-CB 4.19Å; V559-I644 HydrophobicContact CG2-CG2 3.84Å; V559-M645 HydrophobicContact CB-SD 4.43Å; V559-M645 HydrophobicContact CG1-SD 3.87Å; V559-M645 HydrophobicContact CG2-CB 4.07Å; V559-M645 HydrophobicContact CG2-SD 4.05Å; V559-L648 HydrophobicContact CG1-CD1 3.31Å; V559-L648 HydrophobicContact CG1-CG 4.17Å |
| 560 | M | 86.9 | Confident | 86.7 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 6% | 0.064 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.3 | -173.8 | -175.6 | -60.3 | 0 | 0 | 112 | L486 L487 L530 E556 I558 T562 E563 F564 | L486-M560 HydrophobicContact CB-CB 4.29Å; L486-M560 HydrophobicContact CB-CE 4.13Å; L486-M560 HydrophobicContact CB-CG 4.48Å; L486-M560 WeakPolarHBondContact O-CE 3.06Å; L487-M560 HydrophobicContact CD2-CG 3.42Å; L487-M560 VanDerWaalsContact CD2-CG 3.42Å; L487-M560 HydrophobicContact CD2-SD 3.95Å; L487-M560 HydrophobicContact CG-CG 3.79Å; L530-M560 HydrophobicContact CB-CE 3.83Å; L530-M560 HydrophobicContact CB-SD 4.26Å; L530-M560 HydrophobicContact CD1-CE 3.89Å; L530-M560 HydrophobicContact CD1-SD 3.25Å; L530-M560 WeakPolarHBondContact CD1-SD 3.41Å; L530-M560 HydrophobicContact CG-CE 4.45Å; L530-M560 HydrophobicContact CG-SD 4.35Å; E556-M560 VanDerWaalsContact O-CB 3.31Å; E556-M560 WeakPolarHBondContact O-CB 3.42Å; E556-M560 PolarHBondContact O-N 3.02Å; I558-M560 VanDerWaalsContact C-N 3.34Å; M560-T562 PolarHBondContact O-N 3.31Å; M560-E563 PolarHBondContact O-N 3.44Å; M560-F564 WeakPolarHBondContact O-CB 3.33Å; M560-F564 PolarHBondContact O-N 3.07Å |
| 561 | A | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I524 A557 I558 V559 F564 D565 W585 L615 I619 | I524-A561 HydrophobicContact CD1-CB 3.84Å; A557-A561 WeakPolarHBondContact O-CB 3.5Å; A557-A561 PolarHBondContact O-N 3.32Å; I558-A561 PolarHBondContact O-N 2.92Å; V559-A561 PolarHBondContact O-N 3.42Å; A561-F564 PolarHBondContact O-N 3.39Å; A561-D565 VanDerWaalsContact O-CB 3.3Å; A561-D565 WeakPolarHBondContact O-CB 3.45Å; A561-D565 PolarHBondContact O-N 3.17Å; A561-W585 HydrophobicContact CB-CH2 4.34Å; A561-W585 HydrophobicContact CB-CZ2 4.45Å; A561-L615 HydrophobicContact CB-CD1 4.37Å; A561-I619 HydrophobicContact CB-CD1 3.86Å; A561-I619 HydrophobicContact CB-CG1 3.9Å |
| 562 | T | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.3 | -42 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 112 | I558 V559 M560 F564 Y566 I619 A622 K623 M645 | I558-T562 WeakPolarHBondContact O-CB 3.38Å; I558-T562 PolarHBondContact O-N 3.09Å; I558-T562 PolarHBondContact O-OG1 3.23Å; V559-T562 WeakPolarHBondContact O-CB 3.42Å; V559-T562 PolarHBondContact O-N 3.37Å; V559-T562 VanDerWaalsContact O-N 3.14Å; M560-T562 PolarHBondContact O-N 3.31Å; T562-F564 VanDerWaalsContact C-N 3.32Å; T562-Y566 WeakPolarHBondContact O-CB 3.26Å; T562-Y566 PolarHBondContact O-N 3.5Å; T562-Y566 VanDerWaalsContact O-N 3.1Å; T562-I619 HydrophobicContact CG2-CG2 4.45Å; T562-A622 HydrophobicContact CG2-CB 4.28Å; T562-A622 WeakPolarHBondContact OG1-CB 3.34Å; T562-K623 HydrophobicContact CG2-CG 3.66Å; T562-M645 HydrophobicContact CG2-CE 3.73Å; T562-M645 HydrophobicContact CG2-SD 4.46Å |
| 563 | E | 89.6 | Confident | 89 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 172.8 | -167 | -176.5 | -174.4 | 0 | 0 | 110.6 | Y477 T485 L486 L487 V559 M560 Y566 I567 L651 | Y477-E563 HydrophobicContact CE1-CG 4.13Å; Y477-E563 VanDerWaalsContact CE1-OE1 3.3Å; Y477-E563 WeakPolarHBondContact CE1-OE1 3.16Å; Y477-E563 VanDerWaalsContact OH-CD 3.27Å; Y477-E563 WeakPolarHBondContact OH-CG 3.36Å; Y477-E563 PolarHBondContact OH-OE1 2.85Å; T485-E563 WeakPolarHBondContact CA-OE1 3.39Å; T485-E563 VanDerWaalsContact CB-OE1 3.23Å; T485-E563 WeakPolarHBondContact CB-OE1 3.25Å; T485-E563 PolarHBondContact OG1-OE1 2.93Å; T485-E563 PolarHBondContact OG1-OE2 3.26Å; L486-E563 PolarHBondContact N-OE2 3.14Å; L487-E563 HydrophobicContact CD1-CB 3.82Å; L487-E563 HydrophobicContact CD1-CG 3.64Å; L487-E563 HydrophobicContact CG-CB 4.46Å; L487-E563 HydrophobicContact CG-CG 4.41Å; L487-E563 PolarHBondContact N-OE2 3.15Å; V559-E563 PolarHBondContact O-N 3.32Å; M560-E563 PolarHBondContact O-N 3.44Å; E563-Y566 WeakPolarHBondContact O-CB 3.49Å; E563-Y566 PolarHBondContact O-N 2.85Å; E563-I567 HydrophobicContact CG-CD1 4.26Å; E563-I567 WeakPolarHBondContact O-CG1 3.27Å; E563-I567 PolarHBondContact O-N 2.89Å; E563-L651 HydrophobicContact CB-CD2 3.95Å; E563-L651 HydrophobicContact CG-CD2 4.19Å |
| 564 | F | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.2 | -44.2 | -177.9 | -166.5 | -109.9 | 0 | 0 | 0 | 112.5 | L487 I496 I517 I520 M560 A561 T562 Y566 I567 L568 W585 | L487-F564 HydrophobicContact CD1-CB 3.92Å; L487-F564 HydrophobicContact CD1-CD2 4Å; L487-F564 HydrophobicContact CD1-CG 4.48Å; L487-F564 HydrophobicContact CD2-CB 4.15Å; L487-F564 HydrophobicContact CD2-CD2 3.83Å; L487-F564 HydrophobicContact CD2-CG 4.36Å; I496-F564 HydrophobicContact CB-CE2 4.15Å; I496-F564 HydrophobicContact CB-CZ 4.44Å; I496-F564 HydrophobicContact CD1-CE2 4.22Å; I496-F564 HydrophobicContact CD1-CZ 3.63Å; I496-F564 HydrophobicContact CG1-CE2 3.86Å; I496-F564 HydrophobicContact CG1-CZ 3.72Å; I496-F564 HydrophobicContact CG2-CE2 3.78Å; I496-F564 HydrophobicContact CG2-CZ 4.15Å; I517-F564 HydrophobicContact CG1-CE1 4.03Å; I517-F564 HydrophobicContact CG1-CZ 4.17Å; I520-F564 HydrophobicContact CD1-CE1 4.44Å; I520-F564 HydrophobicContact CD1-CE2 3.93Å; I520-F564 HydrophobicContact CD1-CZ 3.85Å; M560-F564 WeakPolarHBondContact O-CB 3.33Å; M560-F564 PolarHBondContact O-N 3.07Å; A561-F564 PolarHBondContact O-N 3.39Å; T562-F564 VanDerWaalsContact C-N 3.32Å; F564-Y566 VanDerWaalsContact C-N 3.26Å; F564-Y566 PolarHBondContact O-N 3.21Å; F564-I567 PolarHBondContact O-N 3.43Å; F564-L568 HydrophobicContact CD1-CD1 3.91Å; F564-L568 HydrophobicContact CD1-CG 4.48Å; F564-L568 HydrophobicContact CE1-CD1 3.62Å; F564-L568 HydrophobicContact CE1-CG 4.29Å; F564-L568 HydrophobicContact CZ-CD1 4.28Å; F564-L568 PolarHBondContact O-N 2.74Å; F564-W585 AromaticContact CD1-CD2 3.94Å; F564-W585 HydrophobicContact CD1-CD2 3.94Å; F564-W585 AromaticContact CD1-CE3 3.66Å; F564-W585 HydrophobicContact CD1-CE3 3.66Å; F564-W585 AromaticContact CD1-CH2 3.79Å; F564-W585 HydrophobicContact CD1-CH2 3.79Å; F564-W585 HydrophobicContact CD1-CZ2 4.05Å; F564-W585 AromaticContact CD1-CZ3 3.57Å; F564-W585 HydrophobicContact CD1-CZ3 3.57Å; F564-W585 HydrophobicContact CE1-CD2 4.1Å; F564-W585 AromaticContact CE1-CE3 3.59Å; F564-W585 HydrophobicContact CE1-CE3 3.59Å; F564-W585 HydrophobicContact CE1-CH2 4.47Å; F564-W585 AromaticContact CE1-CZ3 3.8Å; F564-W585 HydrophobicContact CE1-CZ3 3.8Å |
| 565 | D | 92 | Very high | 90.1 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 174.9 | -174 | 82.7 | 0 | 0 | 0 | 111.8 | A561 S569 W585 I619 K623 | A561-D565 VanDerWaalsContact O-CB 3.3Å; A561-D565 WeakPolarHBondContact O-CB 3.45Å; A561-D565 PolarHBondContact O-N 3.17Å; D565-S569 PolarHBondContact O-N 3.45Å; D565-S569 VanDerWaalsContact O-N 3.15Å; D565-W585 HydrophobicContact CB-CZ2 4.4Å; D565-W585 PolarHBondContact OD1-NE1 2.88Å; D565-I619 HydrophobicContact CB-CG2 4.38Å; D565-K623 WeakPolarHBondContact OD2-CE 3.29Å; D565-K623 IonicContact OD2-NZ 2.58Å; D565-K623 PolarHBondContact OD2-NZ 2.65Å |
| 566 | Y | 91.5 | Very high | 90.6 | Very high | 11 Ų | 11 | 19 Ų | 19 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -46.3 | 174.7 | -178.7 | -112 | 0 | 0 | 0 | 112 | Y477 T562 E563 F564 L568 S569 L570 L651 R654 L655 H658 | Y477-Y566 HydrophobicContact CD2-CD1 4.11Å; Y477-Y566 HydrophobicContact CD2-CE1 4.04Å; Y477-Y566 HydrophobicContact CE2-CD1 4.09Å; Y477-Y566 HydrophobicContact CE2-CE1 4.23Å; T562-Y566 WeakPolarHBondContact O-CB 3.26Å; T562-Y566 PolarHBondContact O-N 3.5Å; T562-Y566 VanDerWaalsContact O-N 3.1Å; E563-Y566 WeakPolarHBondContact O-CB 3.49Å; E563-Y566 PolarHBondContact O-N 2.85Å; F564-Y566 VanDerWaalsContact C-N 3.26Å; F564-Y566 PolarHBondContact O-N 3.21Å; Y566-L568 PolarHBondContact O-N 3.34Å; Y566-S569 WeakPolarHBondContact O-CB 3.39Å; Y566-S569 PolarHBondContact O-N 3.05Å; Y566-S569 VanDerWaalsContact O-N 3.13Å; Y566-S569 PolarHBondContact O-OG 2.97Å; Y566-L570 HydrophobicContact CD1-CD1 3.97Å; Y566-L570 HydrophobicContact CD1-CG 4.46Å; Y566-L570 HydrophobicContact CE1-CD1 3.41Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.41Å; Y566-L570 HydrophobicContact CE1-CD2 4.42Å; Y566-L570 HydrophobicContact CE1-CG 4.01Å; Y566-L570 HydrophobicContact CE2-CD2 4.29Å; Y566-L570 HydrophobicContact CE2-CG 4.33Å; Y566-L570 PolarHBondContact O-N 3.29Å; Y566-L570 VanDerWaalsContact O-N 3.13Å; Y566-L651 HydrophobicContact CD1-CD1 3.46Å; Y566-L651 VanDerWaalsContact CD1-CD1 3.46Å; Y566-L651 HydrophobicContact CE1-CD1 4.22Å; Y566-L651 HydrophobicContact CG-CD1 3.8Å; Y566-R654 HydrophobicContact CE1-CB 4.09Å; Y566-R654 WeakPolarHBondContact OH-CB 3.17Å; Y566-L655 HydrophobicContact CD2-CD2 3.44Å; Y566-L655 VanDerWaalsContact CD2-CD2 3.44Å; Y566-L655 HydrophobicContact CD2-CG 4.2Å; Y566-L655 HydrophobicContact CE2-CD2 3.98Å; Y566-L655 HydrophobicContact CE2-CG 4.5Å; Y566-L655 HydrophobicContact CG-CD2 4.03Å; Y566-H658 HydrophobicContact CE2-CB 4.38Å |
| 567 | I | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 176.6 | -69.2 | 161.2 | 0 | 0 | 0 | 110.4 | Y477 L487 F497 L500 E563 F564 S569 L570 Y571 | Y477-I567 HydrophobicContact CD1-CD1 3.51Å; Y477-I567 HydrophobicContact CD1-CG1 3.44Å; Y477-I567 VanDerWaalsContact CD1-CG1 3.44Å; Y477-I567 HydrophobicContact CD2-CG1 4.19Å; Y477-I567 HydrophobicContact CE1-CD1 3.6Å; Y477-I567 HydrophobicContact CE1-CG1 3.84Å; Y477-I567 HydrophobicContact CG-CD1 4.23Å; Y477-I567 HydrophobicContact CG-CG1 3.63Å; L487-I567 HydrophobicContact CD1-CD1 3.38Å; F497-I567 HydrophobicContact CE1-CD1 3.95Å; F497-I567 HydrophobicContact CZ-CD1 4.04Å; L500-I567 HydrophobicContact CD1-CG2 3.75Å; E563-I567 HydrophobicContact CG-CD1 4.26Å; E563-I567 WeakPolarHBondContact O-CG1 3.27Å; E563-I567 PolarHBondContact O-N 2.89Å; F564-I567 PolarHBondContact O-N 3.43Å; I567-S569 PolarHBondContact O-N 3.44Å; I567-S569 VanDerWaalsContact O-N 3.16Å; I567-L570 WeakPolarHBondContact O-CB 3.45Å; I567-L570 PolarHBondContact O-N 3.32Å; I567-Y571 HydrophobicContact CG2-CD2 4.02Å; I567-Y571 HydrophobicContact CG2-CE2 4.04Å; I567-Y571 WeakPolarHBondContact O-CD2 3.26Å; I567-Y571 PolarHBondContact O-N 2.97Å |
| 568 | L | 93.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.8 | -33.5 | 179.6 | -69 | 176.6 | 0 | 0 | 0 | 112.6 | L500 F564 Y566 S572 I581 R582 W585 | L500-L568 HydrophobicContact CD1-CD2 4.09Å; L500-L568 HydrophobicContact CD2-CD2 4.23Å; F564-L568 HydrophobicContact CD1-CD1 3.91Å; F564-L568 HydrophobicContact CD1-CG 4.48Å; F564-L568 HydrophobicContact CE1-CD1 3.62Å; F564-L568 HydrophobicContact CE1-CG 4.29Å; F564-L568 HydrophobicContact CZ-CD1 4.28Å; F564-L568 PolarHBondContact O-N 2.74Å; Y566-L568 PolarHBondContact O-N 3.34Å; L568-S572 WeakPolarHBondContact O-CB 3.45Å; L568-S572 PolarHBondContact O-N 2.9Å; L568-I581 HydrophobicContact CD2-CG2 3.88Å; L568-R582 HydrophobicContact CB-CB 4.4Å; L568-R582 HydrophobicContact CB-CG 4.35Å; L568-W585 HydrophobicContact CD1-CB 3.43Å; L568-W585 VanDerWaalsContact CD1-CB 3.43Å; L568-W585 HydrophobicContact CD1-CD2 4.02Å; L568-W585 HydrophobicContact CD1-CG 3.44Å; L568-W585 VanDerWaalsContact CD1-CG 3.44Å |
| 569 | S | 92.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 173.8 | 80.4 | 0 | 0 | 0 | 0 | 113 | D565 Y566 I567 Y571 S572 | D565-S569 PolarHBondContact O-N 3.45Å; D565-S569 VanDerWaalsContact O-N 3.15Å; Y566-S569 WeakPolarHBondContact O-CB 3.39Å; Y566-S569 PolarHBondContact O-N 3.05Å; Y566-S569 VanDerWaalsContact O-N 3.13Å; Y566-S569 PolarHBondContact O-OG 2.97Å; I567-S569 PolarHBondContact O-N 3.44Å; I567-S569 VanDerWaalsContact O-N 3.16Å; S569-Y571 VanDerWaalsContact C-N 3.33Å; S569-Y571 PolarHBondContact O-N 3.34Å; S569-S572 PolarHBondContact O-OG 2.79Å |
| 570 | L | 91.2 | Very high | 92.2 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.5 | -26.3 | -179.1 | -71.5 | 176.7 | 0 | 0 | 0 | 114.2 | R476 Y477 Y566 I567 | R476-L570 PolarHBondContact NH1-O 3.41Å; Y477-L570 HydrophobicContact CD2-CD1 4.18Å; Y566-L570 HydrophobicContact CD1-CD1 3.97Å; Y566-L570 HydrophobicContact CD1-CG 4.46Å; Y566-L570 HydrophobicContact CE1-CD1 3.41Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.41Å; Y566-L570 HydrophobicContact CE1-CD2 4.42Å; Y566-L570 HydrophobicContact CE1-CG 4.01Å; Y566-L570 HydrophobicContact CE2-CD2 4.29Å; Y566-L570 HydrophobicContact CE2-CG 4.33Å; Y566-L570 PolarHBondContact O-N 3.29Å; Y566-L570 VanDerWaalsContact O-N 3.13Å; I567-L570 WeakPolarHBondContact O-CB 3.45Å; I567-L570 PolarHBondContact O-N 3.32Å |
| 571 | Y | 93.7 | Very high | 92.6 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -100.5 | -11.1 | -177.6 | -72.7 | -94.3 | 0 | 0 | 0 | 113 | R473 R476 L500 P501 I567 S569 D573 I574 H578 | R473-Y571 WeakPolarHBondContact O-CE1 3.45Å; R473-Y571 PolarHBondContact O-OH 3.41Å; R476-Y571 HydrophobicContact CB-CE1 4.16Å; R476-Y571 HydrophobicContact CB-CE2 3.98Å; L500-Y571 HydrophobicContact CB-CD1 3.86Å; L500-Y571 HydrophobicContact CB-CD2 4.4Å; L500-Y571 HydrophobicContact CB-CE1 4.21Å; L500-Y571 HydrophobicContact CB-CG 3.98Å; L500-Y571 HydrophobicContact CD1-CD2 4.09Å; L500-Y571 HydrophobicContact CD1-CG 4.25Å; L500-Y571 HydrophobicContact CD2-CG 4.44Å; L500-Y571 HydrophobicContact CG-CG 4.48Å; L500-Y571 WeakPolarHBondContact O-CD1 3.43Å; P501-Y571 HydrophobicContact CB-CE1 4.49Å; P501-Y571 HydrophobicContact CG-CE1 4.34Å; I567-Y571 HydrophobicContact CG2-CD2 4.02Å; I567-Y571 HydrophobicContact CG2-CE2 4.04Å; I567-Y571 WeakPolarHBondContact O-CD2 3.26Å; I567-Y571 PolarHBondContact O-N 2.97Å; S569-Y571 VanDerWaalsContact C-N 3.33Å; S569-Y571 PolarHBondContact O-N 3.34Å; Y571-D573 PolarHBondContact O-N 2.96Å; Y571-D573 VanDerWaalsContact O-N 3.11Å; Y571-I574 HydrophobicContact CD1-CD1 3.44Å; Y571-I574 VanDerWaalsContact CD1-CD1 3.44Å; Y571-I574 HydrophobicContact CE1-CD1 4.3Å; Y571-I574 HydrophobicContact CG-CD1 4.21Å; Y571-I574 WeakPolarHBondContact O-CB 3.28Å; Y571-I574 WeakPolarHBondContact O-CG1 3.33Å; Y571-I574 PolarHBondContact O-N 2.82Å; Y571-H578 VanDerWaalsContact O-CB 3.29Å; Y571-H578 WeakPolarHBondContact O-CB 3.29Å |
| 572 | S | 93.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.5 | -175.2 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | L568 S569 | L568-S572 WeakPolarHBondContact O-CB 3.45Å; L568-S572 PolarHBondContact O-N 2.9Å; S569-S572 PolarHBondContact O-OG 2.79Å |
| 573 | D | 92.6 | Very high | 93 | Very high | 88 Ų | 88 | 34.1 Ų | 34.1 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -4.2 | -179.8 | 71.3 | -39.3 | 0 | 0 | 0 | 114.2 | R476 Y571 | R476-D573 IonicContact CZ-OD1 2.69Å; R476-D573 IonicContact NH1-OD1 3.09Å; R476-D573 PolarHBondContact NH1-OD1 2.84Å; R476-D573 IonicContact NH1-OD2 2.98Å; R476-D573 PolarHBondContact NH1-OD2 3.16Å; R476-D573 IonicContact NH2-OD1 2.67Å; R476-D573 IonicContact NH2-OD2 2.8Å; Y571-D573 PolarHBondContact O-N 2.96Å; Y571-D573 VanDerWaalsContact O-N 3.11Å |
| 574 | I | 92.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -69.6 | -56.5 | -177.9 | -64.7 | 173 | 0 | 0 | 0 | 110.8 | R473 Y571 | R473-I574 HydrophobicContact CG-CD1 4.17Å; Y571-I574 HydrophobicContact CD1-CD1 3.44Å; Y571-I574 VanDerWaalsContact CD1-CD1 3.44Å; Y571-I574 HydrophobicContact CE1-CD1 4.3Å; Y571-I574 HydrophobicContact CG-CD1 4.21Å; Y571-I574 WeakPolarHBondContact O-CB 3.28Å; Y571-I574 WeakPolarHBondContact O-CG1 3.33Å; Y571-I574 PolarHBondContact O-N 2.82Å |
| 575 | S | 93 | Very high | 93.5 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | trans | -149.3 | 170 | -179 | 83.9 | 0 | 0 | 0 | 0 | 112.1 | E577 H578 E579 | S575-E577 WeakPolarHBondContact CB-OE2 3.49Å; S575-E577 PolarHBondContact O-N 3.13Å; S575-E577 PolarHBondContact OG-N 2.84Å; S575-E577 PolarHBondContact OG-OE2 2.84Å; S575-H578 PolarHBondContact O-N 2.93Å; S575-H578 PolarHBondContact OG-N 2.9Å; S575-H578 PolarHBondContact OG-ND1 2.62Å; S575-E579 PolarHBondContact O-N 3.21Å | ||
| 576 | T | 93.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -33.4 | 176.3 | 33.9 | 0 | 0 | 0 | 0 | 112.6 | E579 Q580 | T576-E579 PolarHBondContact O-N 2.79Å; T576-Q580 WeakPolarHBondContact O-CG 3.42Å; T576-Q580 PolarHBondContact O-N 2.84Å |
| 577 | E | 94.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 178.6 | -57.1 | 67.9 | -134.6 | 0 | 0 | 111.1 | L505 I510 S575 Q580 I581 | L505-E577 HydrophobicContact CB-CB 3.94Å; L505-E577 HydrophobicContact CB-CG 4.43Å; L505-E577 HydrophobicContact CD1-CB 4.15Å; L505-E577 HydrophobicContact CG-CB 4.35Å; I510-E577 HydrophobicContact CD1-CB 3.84Å; I510-E577 HydrophobicContact CD1-CG 3.8Å; I510-E577 HydrophobicContact CG1-CB 4.35Å; S575-E577 WeakPolarHBondContact CB-OE2 3.49Å; S575-E577 PolarHBondContact O-N 3.13Å; S575-E577 PolarHBondContact OG-N 2.84Å; S575-E577 PolarHBondContact OG-OE2 2.84Å; E577-Q580 WeakPolarHBondContact O-CB 3.49Å; E577-Q580 PolarHBondContact O-N 2.83Å; E577-I581 WeakPolarHBondContact O-CG1 3.29Å; E577-I581 PolarHBondContact O-N 3.34Å; E577-I581 VanDerWaalsContact O-N 3.1Å |
| 578 | H | 95.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 174.1 | -67.4 | 84.2 | 0 | 0 | 0 | 111.8 | L500 K502 Y571 S575 Q580 I581 R582 | L500-H578 PolarHBondContact O-NE2 2.97Å; K502-H578 PolarHBondContact O-CE1 3.24Å; Y571-H578 VanDerWaalsContact O-CB 3.29Å; Y571-H578 WeakPolarHBondContact O-CB 3.29Å; S575-H578 PolarHBondContact O-N 2.93Å; S575-H578 PolarHBondContact OG-N 2.9Å; S575-H578 PolarHBondContact OG-ND1 2.62Å; H578-Q580 VanDerWaalsContact C-N 3.31Å; H578-I581 PolarHBondContact O-N 2.79Å; H578-R582 PolarHBondContact O-N 3.06Å; H578-R582 VanDerWaalsContact O-N 3.14Å |
| 579 | E | 94.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 173.4 | -172.3 | 176.1 | -169.4 | 0 | 0 | 111.5 | S575 T576 R582 N583 | S575-E579 PolarHBondContact O-N 3.21Å; T576-E579 PolarHBondContact O-N 2.79Å; E579-R582 PolarHBondContact O-N 3.05Å; E579-N583 WeakPolarHBondContact O-CB 3.5Å; E579-N583 PolarHBondContact O-N 3.04Å; E579-N583 PolarHBondContact O-ND2 3.4Å |
| 580 | Q | 94.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.4 | -73.7 | 169.8 | -8.3 | 0 | 0 | 112.2 | T576 E577 H578 R582 N583 Y584 | T576-Q580 WeakPolarHBondContact O-CG 3.42Å; T576-Q580 PolarHBondContact O-N 2.84Å; E577-Q580 WeakPolarHBondContact O-CB 3.49Å; E577-Q580 PolarHBondContact O-N 2.83Å; H578-Q580 VanDerWaalsContact C-N 3.31Å; Q580-R582 VanDerWaalsContact C-N 3.32Å; Q580-R582 PolarHBondContact O-N 3.27Å; Q580-N583 PolarHBondContact O-N 3.29Å; Q580-N583 VanDerWaalsContact O-N 3.14Å; Q580-Y584 PolarHBondContact O-N 3.26Å |
| 581 | I | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 177.5 | -67.3 | 173 | 0 | 0 | 0 | 111.1 | L505 I510 C513 I517 L568 E577 H578 N583 Y584 W585 | L505-I581 HydrophobicContact CD1-CD1 3.33Å; I510-I581 HydrophobicContact CG2-CG1 4.36Å; C513-I581 HydrophobicContact CB-CD1 3.72Å; C513-I581 HydrophobicContact CB-CG1 4.25Å; C513-I581 HydrophobicContact CB-CG2 4.32Å; I517-I581 HydrophobicContact CD1-CG2 3.75Å; L568-I581 HydrophobicContact CD2-CG2 3.88Å; E577-I581 WeakPolarHBondContact O-CG1 3.29Å; E577-I581 PolarHBondContact O-N 3.34Å; E577-I581 VanDerWaalsContact O-N 3.1Å; H578-I581 PolarHBondContact O-N 2.79Å; I581-N583 VanDerWaalsContact C-N 3.34Å; I581-N583 PolarHBondContact O-N 3.03Å; I581-Y584 WeakPolarHBondContact O-CB 3.5Å; I581-Y584 PolarHBondContact O-N 3.35Å; I581-W585 PolarHBondContact O-N 3.29Å |
| 582 | R | 94.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 28% | 0.275 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.7 | 179.7 | 176.5 | 177.2 | -88.6 | -1 | 111.7 | L568 H578 E579 Q580 Y584 W585 I586 | L568-R582 HydrophobicContact CB-CB 4.4Å; L568-R582 HydrophobicContact CB-CG 4.35Å; H578-R582 PolarHBondContact O-N 3.06Å; H578-R582 VanDerWaalsContact O-N 3.14Å; E579-R582 PolarHBondContact O-N 3.05Å; Q580-R582 VanDerWaalsContact C-N 3.32Å; Q580-R582 PolarHBondContact O-N 3.27Å; R582-Y584 VanDerWaalsContact C-N 3.33Å; R582-W585 WeakPolarHBondContact O-CB 3.31Å; R582-W585 PolarHBondContact O-N 3.44Å; R582-I586 HydrophobicContact CG-CD1 4.17Å; R582-I586 WeakPolarHBondContact O-CG1 3.5Å; R582-I586 PolarHBondContact O-N 3.46Å; R582-I586 VanDerWaalsContact O-N 3.1Å |
| 583 | N | 94.3 | Very high | 87.3 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.1 | -70.2 | -24.4 | 0 | 0 | 0 | 111.6 | E579 Q580 I581 I586 Q587 | E579-N583 WeakPolarHBondContact O-CB 3.5Å; E579-N583 PolarHBondContact O-N 3.04Å; E579-N583 PolarHBondContact O-ND2 3.4Å; Q580-N583 PolarHBondContact O-N 3.29Å; Q580-N583 VanDerWaalsContact O-N 3.14Å; I581-N583 VanDerWaalsContact C-N 3.34Å; I581-N583 PolarHBondContact O-N 3.03Å; N583-I586 PolarHBondContact O-N 2.93Å; N583-Q587 WeakPolarHBondContact O-CG 3.49Å; N583-Q587 PolarHBondContact O-N 2.93Å |
| 584 | Y | 94.5 | Very high | 84.4 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 26% | 0.263 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.7 | -169.6 | -91.4 | 0 | 0 | 0 | 111.8 | E514 I517 V518 Q580 I581 R582 Q587 T588 | E514-Y584 HydrophobicContact CB-CD1 4.11Å; E514-Y584 HydrophobicContact CB-CE1 3.8Å; E514-Y584 HydrophobicContact CB-CE2 4.36Å; E514-Y584 HydrophobicContact CG-CD1 3.9Å; E514-Y584 HydrophobicContact CG-CD2 4Å; E514-Y584 HydrophobicContact CG-CE1 4.05Å; E514-Y584 HydrophobicContact CG-CE2 4.14Å; E514-Y584 HydrophobicContact CG-CG 3.87Å; I517-Y584 HydrophobicContact CB-CD1 4.2Å; I517-Y584 HydrophobicContact CB-CE1 4.31Å; I517-Y584 HydrophobicContact CD1-CD1 4.01Å; I517-Y584 HydrophobicContact CG2-CD1 3.84Å; I517-Y584 HydrophobicContact CG2-CE1 4Å; V518-Y584 HydrophobicContact CG2-CE1 4.03Å; V518-Y584 WeakPolarHBondContact CG2-OH 3.33Å; Q580-Y584 PolarHBondContact O-N 3.26Å; I581-Y584 WeakPolarHBondContact O-CB 3.5Å; I581-Y584 PolarHBondContact O-N 3.35Å; R582-Y584 VanDerWaalsContact C-N 3.33Å; Y584-Q587 PolarHBondContact O-N 2.91Å; Y584-T588 WeakPolarHBondContact O-CB 3.41Å; Y584-T588 PolarHBondContact O-N 3.47Å; Y584-T588 PolarHBondContact O-OG1 2.77Å |
| 585 | W | 94.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 171.9 | 166.1 | -104.7 | 0 | 0 | 0 | 112.2 | I517 I520 V521 I524 A561 F564 D565 L568 I581 R582 Q587 T588 I589 I619 | I517-W585 HydrophobicContact CD1-CB 4.18Å; I517-W585 HydrophobicContact CG2-CE3 3.92Å; I520-W585 HydrophobicContact CG2-CZ3 4.46Å; V521-W585 HydrophobicContact CG2-CE3 3.99Å; V521-W585 HydrophobicContact CG2-CH2 4.24Å; V521-W585 HydrophobicContact CG2-CZ3 3.45Å; V521-W585 VanDerWaalsContact CG2-CZ3 3.45Å; I524-W585 HydrophobicContact CD1-CH2 4.36Å; A561-W585 HydrophobicContact CB-CH2 4.34Å; A561-W585 HydrophobicContact CB-CZ2 4.45Å; F564-W585 AromaticContact CD1-CD2 3.94Å; F564-W585 HydrophobicContact CD1-CD2 3.94Å; F564-W585 AromaticContact CD1-CE3 3.66Å; F564-W585 HydrophobicContact CD1-CE3 3.66Å; F564-W585 AromaticContact CD1-CH2 3.79Å; F564-W585 HydrophobicContact CD1-CH2 3.79Å; F564-W585 HydrophobicContact CD1-CZ2 4.05Å; F564-W585 AromaticContact CD1-CZ3 3.57Å; F564-W585 HydrophobicContact CD1-CZ3 3.57Å; F564-W585 HydrophobicContact CE1-CD2 4.1Å; F564-W585 AromaticContact CE1-CE3 3.59Å; F564-W585 HydrophobicContact CE1-CE3 3.59Å; F564-W585 HydrophobicContact CE1-CH2 4.47Å; F564-W585 AromaticContact CE1-CZ3 3.8Å; F564-W585 HydrophobicContact CE1-CZ3 3.8Å; D565-W585 HydrophobicContact CB-CZ2 4.4Å; D565-W585 PolarHBondContact OD1-NE1 2.88Å; L568-W585 HydrophobicContact CD1-CB 3.43Å; L568-W585 VanDerWaalsContact CD1-CB 3.43Å; L568-W585 HydrophobicContact CD1-CD2 4.02Å; L568-W585 HydrophobicContact CD1-CG 3.44Å; L568-W585 VanDerWaalsContact CD1-CG 3.44Å; I581-W585 PolarHBondContact O-N 3.29Å; R582-W585 WeakPolarHBondContact O-CB 3.31Å; R582-W585 PolarHBondContact O-N 3.44Å; W585-Q587 VanDerWaalsContact C-N 3.33Å; W585-Q587 PolarHBondContact O-N 2.72Å; W585-T588 PolarHBondContact O-N 3.45Å; W585-T588 VanDerWaalsContact O-N 3.14Å; W585-I589 HydrophobicContact CD2-CG2 4.09Å; W585-I589 HydrophobicContact CE3-CG2 4.19Å; W585-I589 HydrophobicContact CH2-CG2 3.89Å; W585-I589 HydrophobicContact CZ2-CG2 3.76Å; W585-I589 HydrophobicContact CZ3-CG2 4.11Å; W585-I589 WeakPolarHBondContact O-CG1 3.15Å; W585-I589 PolarHBondContact O-N 3.43Å; W585-I619 HydrophobicContact CZ2-CD1 4.1Å |
| 586 | I | 91.6 | Very high | 78.7 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | -179.8 | -67 | 167.7 | 0 | 0 | 0 | 111.3 | R582 N583 I589 N590 | R582-I586 HydrophobicContact CG-CD1 4.17Å; R582-I586 WeakPolarHBondContact O-CG1 3.5Å; R582-I586 PolarHBondContact O-N 3.46Å; R582-I586 VanDerWaalsContact O-N 3.1Å; N583-I586 PolarHBondContact O-N 2.93Å; I586-I589 VanDerWaalsContact O-CG1 3.22Å; I586-I589 WeakPolarHBondContact O-CG1 3.42Å; I586-N590 WeakPolarHBondContact O-CB 3.44Å; I586-N590 VanDerWaalsContact O-CG 3.26Å; I586-N590 PolarHBondContact O-N 3.39Å; I586-N590 VanDerWaalsContact O-N 3.12Å; I586-N590 PolarHBondContact O-ND2 3.26Å |
| 587 | Q | 91.5 | Very high | 75.9 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 176.7 | -72.2 | 177 | 7.2 | 0 | 0 | 111.6 | N583 Y584 W585 I589 N590 S591 | N583-Q587 WeakPolarHBondContact O-CG 3.49Å; N583-Q587 PolarHBondContact O-N 2.93Å; Y584-Q587 PolarHBondContact O-N 2.91Å; W585-Q587 VanDerWaalsContact C-N 3.33Å; W585-Q587 PolarHBondContact O-N 2.72Å; Q587-I589 PolarHBondContact O-N 2.9Å; Q587-N590 PolarHBondContact O-N 3.39Å; Q587-S591 WeakPolarHBondContact O-CB 3.5Å; Q587-S591 PolarHBondContact O-N 2.94Å; Q587-S591 PolarHBondContact O-OG 3.36Å |
| 588 | T | 89 | Confident | 73.1 | Confident | 27 Ų | 27 | 81.8 Ų | 81.8 | 17% | 0.166 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | -177.5 | -53.4 | 0 | 0 | 0 | 0 | 112 | I517 V521 Y584 W585 | I517-T588 HydrophobicContact CG2-CG2 4.27Å; V521-T588 HydrophobicContact CB-CG2 4.08Å; V521-T588 HydrophobicContact CG1-CG2 4.11Å; V521-T588 HydrophobicContact CG2-CG2 3.83Å; Y584-T588 WeakPolarHBondContact O-CB 3.41Å; Y584-T588 PolarHBondContact O-N 3.47Å; Y584-T588 PolarHBondContact O-OG1 2.77Å; W585-T588 PolarHBondContact O-N 3.45Å; W585-T588 VanDerWaalsContact O-N 3.14Å |
| 589 | I | 88 | Confident | 70.6 | Confident | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.026 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.8 | -38.7 | 175.7 | 63.8 | 176.6 | 0 | 0 | 0 | 112.2 | V521 W585 I586 Q587 S592 L615 T616 I619 | V521-I589 HydrophobicContact CG2-CG2 4.19Å; W585-I589 HydrophobicContact CD2-CG2 4.09Å; W585-I589 HydrophobicContact CE3-CG2 4.19Å; W585-I589 HydrophobicContact CH2-CG2 3.89Å; W585-I589 HydrophobicContact CZ2-CG2 3.76Å; W585-I589 HydrophobicContact CZ3-CG2 4.11Å; W585-I589 WeakPolarHBondContact O-CG1 3.15Å; W585-I589 PolarHBondContact O-N 3.43Å; I586-I589 VanDerWaalsContact O-CG1 3.22Å; I586-I589 WeakPolarHBondContact O-CG1 3.42Å; Q587-I589 PolarHBondContact O-N 2.9Å; I589-S592 WeakPolarHBondContact O-CB 3.33Å; I589-S592 PolarHBondContact O-OG 3.44Å; I589-L615 HydrophobicContact CB-CD2 4.32Å; I589-L615 HydrophobicContact CG2-CD2 3.89Å; I589-T616 HydrophobicContact CD1-CG2 4.45Å; I589-I619 HydrophobicContact CD1-CD1 4.21Å |
| 590 | N | 82.3 | Confident | 68.3 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.6 | -22.6 | -178.7 | -74.4 | -19.3 | 0 | 0 | 0 | 114.3 | I586 Q587 S592 T616 | I586-N590 WeakPolarHBondContact O-CB 3.44Å; I586-N590 VanDerWaalsContact O-CG 3.26Å; I586-N590 PolarHBondContact O-N 3.39Å; I586-N590 VanDerWaalsContact O-N 3.12Å; I586-N590 PolarHBondContact O-ND2 3.26Å; Q587-N590 PolarHBondContact O-N 3.39Å; N590-S592 PolarHBondContact O-N 2.94Å; N590-T616 WeakPolarHBondContact OD1-CG2 3.26Å; N590-T616 PolarHBondContact OD1-OG1 3.42Å |
| 591 | S | 67.8 | Low | 66.1 | Low | 96 Ų | 96 | 82.3 Ų | 82.3 | 67% | 0.671 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 1.2 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | Q587 K593 | Q587-S591 WeakPolarHBondContact O-CB 3.5Å; Q587-S591 PolarHBondContact O-N 2.94Å; Q587-S591 PolarHBondContact O-OG 3.36Å; S591-K593 PolarHBondContact O-N 2.92Å |
| 592 | S | 52.2 | Low | 63.9 | Low | 24 Ų | 24 | 89.2 Ų | 89.2 | 17% | 0.168 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -94.6 | 88.9 | -179.8 | -40.7 | 0 | 0 | 0 | 0 | 109.8 | K525 I589 N590 | K525-S592 WeakPolarHBondContact CE-OG 3.38Å; K525-S592 PolarHBondContact NZ-OG 3.09Å; I589-S592 WeakPolarHBondContact O-CB 3.33Å; I589-S592 PolarHBondContact O-OG 3.44Å; N590-S592 PolarHBondContact O-N 2.94Å |
| 593 | K | 47.1 | Very low | 61.8 | Low | 174 Ų | 174 | 95.3 Ų | 95.3 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | trans | 76.6 | 99.1 | -176.9 | -66.6 | -178.6 | 177.5 | 174.5 | 0 | 115.8 | S591 N595 | S591-K593 PolarHBondContact O-N 2.92Å; K593-N595 PolarHBondContact O-N 3.36Å | ||
| 594 | T | 31.5 | Very low | 59.8 | Low | 128 Ų | 128 | 94.1 Ų | 94.1 | 79% | 0.785 | 49% | 0.485 | S | S | * | . | trans | -67.7 | 100.5 | 151.5 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 595 | N | 32.8 | Very low | 57.8 | Low | 144 Ų | 144 | 94.9 Ų | 94.9 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 175.9 | 122.6 | 143 | -83.4 | -13.5 | 0 | 0 | 0 | 108.9 | K593 | K593-N595 PolarHBondContact O-N 3.36Š|
| 596 | D | 32.5 | Very low | 55.8 | Low | 159 Ų | 159 | 100.1 Ų | 100.1 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | trans | 61.2 | 104.1 | 171.9 | -60.3 | -22.4 | 0 | 0 | 0 | 118 | ||||
| 597 | T | 34.7 | Very low | 53.9 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 58% | 0.577 | 54% | 0.544 | S | S | * | . | trans | -136.6 | 97 | 166.8 | -20.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 598 | F | 36 | Very low | 52.1 | Low | 202 Ų | 202 | 104 Ų | 104 | 89% | 0.886 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -168.3 | 81.1 | 141.1 | -96.3 | -72.6 | 0 | 0 | 0 | 106.5 | ||
| 599 | N | 43.5 | Very low | 50.8 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | trans | 148 | 37.7 | 158.5 | -75 | -18.3 | 0 | 0 | 0 | 116.1 | ||||
| 600 | G | 46.1 | Very low | 49.9 | Very low | 23 Ų | 23 | 104.7 Ų | 104.7 | 24% | 0.237 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -68.3 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N602 R603 | G600-N602 VanDerWaalsContact C-N 3.27Å; G600-N602 PolarHBondContact O-N 2.88Å; G600-R603 PolarHBondContact O-N 3.44Å; G600-R603 VanDerWaalsContact O-N 3.17Å |
| 601 | L | 49.6 | Very low | 49.4 | Very low | 69 Ų | 69 | 105.5 Ų | 105.5 | 36% | 0.361 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -66.1 | -24.3 | -174.7 | -99.1 | 109.3 | 0 | 0 | 0 | 114.4 | R603 R620 L621 | L601-R603 PolarHBondContact O-N 3.32Å; L601-R620 HydrophobicContact CD1-CG 4.49Å; L601-L621 HydrophobicContact CD2-CD1 4.24Å |
| 602 | N | 48.9 | Very low | 49.7 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 78% | 0.781 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -80.3 | 1.4 | 179.1 | -72.4 | -11.6 | 0 | 0 | 0 | 113.5 | G600 | G600-N602 VanDerWaalsContact C-N 3.27Å; G600-N602 PolarHBondContact O-N 2.88Å |
| 603 | R | 49.6 | Very low | 50.8 | Low | 200 Ų | 200 | 104.3 Ų | 104.3 | 76% | 0.755 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -102.4 | 0.6 | -178.2 | -76.1 | -171.3 | 175.9 | -177.7 | 1 | 115.5 | G600 L601 S605 | G600-R603 PolarHBondContact O-N 3.44Å; G600-R603 VanDerWaalsContact O-N 3.17Å; L601-R603 PolarHBondContact O-N 3.32Å; R603-S605 PolarHBondContact O-N 2.83Å |
| 604 | L | 53.8 | Low | 52.6 | Low | 37 Ų | 37 | 97.6 Ų | 97.6 | 19% | 0.194 | 52% | 0.519 | C | S | . | . | trans | -71.5 | 93.4 | -179.4 | -79.1 | 155.3 | 0 | 0 | 0 | 111.1 | D609 L621 | L604-D609 HydrophobicContact CD2-CB 3.92Å; L604-L621 HydrophobicContact CD1-CD1 4Å | ||
| 605 | S | 51.1 | Low | 55.1 | Low | 83 Ų | 83 | 92.3 Ų | 92.3 | 58% | 0.58 | 49% | 0.486 | S | S | * | . | trans | -108.6 | -26.5 | 179 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | R603 D609 T636 | R603-S605 PolarHBondContact O-N 2.83Å; S605-D609 PolarHBondContact N-OD2 2.51Å; S605-D609 PolarHBondContact OG-OD2 3.29Å; S605-T636 VanDerWaalsContact C-CG2 3.43Å; S605-T636 WeakPolarHBondContact O-CG2 3.25Å | ||
| 606 | N | 52.6 | Low | 57.6 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -146.3 | 163.1 | 175.8 | -75.1 | -45.9 | 0 | 0 | 0 | 112.3 | N608 D609 | N606-N608 PolarHBondContact O-N 3.22Å; N606-N608 VanDerWaalsContact O-N 3.09Å; N606-D609 PolarHBondContact N-OD2 3.3Å; N606-D609 VanDerWaalsContact N-OD2 3.09Å; N606-D609 WeakPolarHBondContact O-CB 3.48Å; N606-D609 PolarHBondContact O-N 2.76Å |
| 607 | E | 51.8 | Low | 60 | Low | 120 Ų | 120 | 81.5 Ų | 81.5 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -54.4 | -29.2 | 177.7 | -84.6 | -164.8 | 149.8 | 0 | 0 | 113.8 | D609 F610 | E607-D609 PolarHBondContact O-N 2.73Å; E607-F610 WeakPolarHBondContact O-CB 3.45Å; E607-F610 PolarHBondContact O-N 3.42Å; E607-F610 VanDerWaalsContact O-N 3.16Å |
| 608 | N | 53.1 | Low | 62.5 | Low | 132 Ų | 132 | 77.9 Ų | 77.9 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.6 | 177.1 | -75.1 | -24.8 | 0 | 0 | 0 | 113.3 | N606 F610 | N606-N608 PolarHBondContact O-N 3.22Å; N606-N608 VanDerWaalsContact O-N 3.09Å; N608-F610 VanDerWaalsContact C-N 3.28Å; N608-F610 PolarHBondContact O-N 2.93Å |
| 609 | D | 62.4 | Low | 64.9 | Low | 43 Ų | 43 | 68.5 Ų | 68.5 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.3 | -27.5 | 176.7 | -69.2 | -36.6 | 0 | 0 | 0 | 111.6 | L604 S605 N606 E607 N611 S612 | L604-D609 HydrophobicContact CD2-CB 3.92Å; S605-D609 PolarHBondContact N-OD2 2.51Å; S605-D609 PolarHBondContact OG-OD2 3.29Å; N606-D609 PolarHBondContact N-OD2 3.3Å; N606-D609 VanDerWaalsContact N-OD2 3.09Å; N606-D609 WeakPolarHBondContact O-CB 3.48Å; N606-D609 PolarHBondContact O-N 2.76Å; E607-D609 PolarHBondContact O-N 2.73Å; D609-N611 VanDerWaalsContact C-N 3.34Å; D609-N611 PolarHBondContact O-N 3.44Å; D609-S612 WeakPolarHBondContact O-CB 3.4Å; D609-S612 PolarHBondContact O-N 2.97Å; D609-S612 VanDerWaalsContact O-N 3.08Å; D609-S612 PolarHBondContact O-OG 3.39Å |
| 610 | F | 69.6 | Low | 66.9 | Low | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -62.9 | -39.8 | 178.6 | -179.4 | -99.3 | 0 | 0 | 0 | 112.5 | Q554 I558 E607 N608 S612 L613 M618 L621 P638 L641 | Q554-F610 HydrophobicContact CG-CE1 4.39Å; I558-F610 HydrophobicContact CD1-CE1 3.9Å; I558-F610 HydrophobicContact CD1-CE2 4.46Å; I558-F610 HydrophobicContact CD1-CZ 3.41Å; I558-F610 VanDerWaalsContact CD1-CZ 3.41Å; E607-F610 WeakPolarHBondContact O-CB 3.45Å; E607-F610 PolarHBondContact O-N 3.42Å; E607-F610 VanDerWaalsContact O-N 3.16Å; N608-F610 VanDerWaalsContact C-N 3.28Å; N608-F610 PolarHBondContact O-N 2.93Å; F610-S612 PolarHBondContact O-N 3.02Å; F610-L613 HydrophobicContact CD2-CD1 4.04Å; F610-L613 WeakPolarHBondContact O-CB 3.4Å; F610-L613 PolarHBondContact O-N 3.03Å; F610-M618 HydrophobicContact CD1-CE 4.48Å; F610-M618 HydrophobicContact CE1-CE 4.27Å; F610-M618 HydrophobicContact CE2-CG 4.4Å; F610-M618 HydrophobicContact CZ-CG 4.4Å; F610-M618 WeakPolarHBondContact O-CE 3.36Å; F610-L621 HydrophobicContact CD2-CD2 3.79Å; F610-L621 HydrophobicContact CE2-CD2 3.75Å; F610-P638 HydrophobicContact CB-CG 4.43Å; F610-P638 HydrophobicContact CD1-CG 3.66Å; F610-P638 HydrophobicContact CD2-CG 4.16Å; F610-P638 HydrophobicContact CE1-CG 3.81Å; F610-P638 HydrophobicContact CE2-CG 4.31Å; F610-P638 HydrophobicContact CG-CG 3.82Å; F610-P638 HydrophobicContact CZ-CG 4.1Å; F610-L641 HydrophobicContact CE2-CD2 3.79Å; F610-L641 HydrophobicContact CZ-CD2 3.91Å |
| 611 | N | 71.6 | Confident | 68.8 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -70.5 | -12.7 | 177.8 | -71.9 | -31.4 | 0 | 0 | 0 | 113.2 | Q554 D609 | Q554-N611 PolarHBondContact NE2-OD1 3.15Å; Q554-N611 VanDerWaalsContact NE2-OD1 3.09Å; D609-N611 VanDerWaalsContact C-N 3.34Å; D609-N611 PolarHBondContact O-N 3.44Å |
| 612 | S | 72.9 | Confident | 70.6 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -85 | -18.9 | 176.3 | 79.4 | 0 | 0 | 0 | 0 | 113.4 | D609 F610 | D609-S612 WeakPolarHBondContact O-CB 3.4Å; D609-S612 PolarHBondContact O-N 2.97Å; D609-S612 VanDerWaalsContact O-N 3.08Å; D609-S612 PolarHBondContact O-OG 3.39Å; F610-S612 PolarHBondContact O-N 3.02Å |
| 613 | L | 75.9 | Confident | 72.4 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -67.3 | 142.6 | -179.5 | -62.6 | 173.3 | 0 | 0 | 0 | 111.1 | F610 E617 M618 L621 | F610-L613 HydrophobicContact CD2-CD1 4.04Å; F610-L613 WeakPolarHBondContact O-CB 3.4Å; F610-L613 PolarHBondContact O-N 3.03Å; L613-E617 WeakPolarHBondContact CA-OE2 3.35Å; L613-E617 HydrophobicContact CB-CB 3.97Å; L613-E617 HydrophobicContact CD2-CB 3.94Å; L613-E617 HydrophobicContact CG-CB 4.41Å; L613-M618 HydrophobicContact CB-CE 4.25Å; L613-M618 HydrophobicContact CB-CG 3.86Å; L613-M618 WeakPolarHBondContact O-CE 3.47Å; L613-L621 HydrophobicContact CD1-CD2 4.31Å |
| 614 | N | 84.2 | Confident | 74.1 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -76.3 | 167.8 | 167.7 | 68.7 | 46.6 | 0 | 0 | 0 | 110.9 | T616 E617 M618 | N614-T616 VanDerWaalsContact C-N 3.25Å; N614-T616 PolarHBondContact O-N 2.78Å; N614-T616 WeakPolarHBondContact OD1-CA 3.32Å; N614-T616 VanDerWaalsContact OD1-CB 3.31Å; N614-T616 WeakPolarHBondContact OD1-CB 3.32Å; N614-T616 PolarHBondContact OD1-N 3.49Å; N614-E617 PolarHBondContact N-OE2 3.26Å; N614-E617 PolarHBondContact ND2-OE2 3.49Å; N614-E617 PolarHBondContact O-N 3.21Å; N614-E617 VanDerWaalsContact O-N 3.13Å; N614-E617 WeakPolarHBondContact OD1-CG 3.27Å; N614-E617 PolarHBondContact OD1-N 2.98Å; N614-M618 WeakPolarHBondContact O-CG 3.27Å; N614-M618 PolarHBondContact O-N 2.92Å | ||
| 615 | L | 83.7 | Confident | 75.5 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | -176.9 | -177.5 | 59.7 | 0 | 0 | 0 | 112.4 | I524 A561 I589 M618 I619 | I524-L615 HydrophobicContact CG2-CD1 3.76Å; I524-L615 HydrophobicContact CG2-CD2 4.02Å; A561-L615 HydrophobicContact CB-CD1 4.37Å; I589-L615 HydrophobicContact CB-CD2 4.32Å; I589-L615 HydrophobicContact CG2-CD2 3.89Å; L615-M618 PolarHBondContact O-N 3.16Å; L615-I619 HydrophobicContact CD1-CD1 4.38Å; L615-I619 HydrophobicContact CD1-CG1 4.41Å; L615-I619 HydrophobicContact CG-CD1 4.05Å; L615-I619 VanDerWaalsContact O-CG1 3.27Å; L615-I619 WeakPolarHBondContact O-CG1 3.05Å; L615-I619 PolarHBondContact O-N 3.3Å |
| 616 | T | 85.8 | Confident | 77 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | I589 N590 N614 I619 R620 | I589-T616 HydrophobicContact CD1-CG2 4.45Å; N590-T616 WeakPolarHBondContact OD1-CG2 3.26Å; N590-T616 PolarHBondContact OD1-OG1 3.42Å; N614-T616 VanDerWaalsContact C-N 3.25Å; N614-T616 PolarHBondContact O-N 2.78Å; N614-T616 WeakPolarHBondContact OD1-CA 3.32Å; N614-T616 VanDerWaalsContact OD1-CB 3.31Å; N614-T616 WeakPolarHBondContact OD1-CB 3.32Å; N614-T616 PolarHBondContact OD1-N 3.49Å; T616-I619 PolarHBondContact O-N 3.26Å; T616-R620 WeakPolarHBondContact O-CB 3.38Å; T616-R620 PolarHBondContact O-N 3.39Å |
| 617 | E | 84 | Confident | 78.2 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 175.6 | -69.6 | 173.4 | 141.6 | 0 | 0 | 111.7 | L613 N614 R620 L621 | L613-E617 WeakPolarHBondContact CA-OE2 3.35Å; L613-E617 HydrophobicContact CB-CB 3.97Å; L613-E617 HydrophobicContact CD2-CB 3.94Å; L613-E617 HydrophobicContact CG-CB 4.41Å; N614-E617 PolarHBondContact N-OE2 3.26Å; N614-E617 PolarHBondContact ND2-OE2 3.49Å; N614-E617 PolarHBondContact O-N 3.21Å; N614-E617 VanDerWaalsContact O-N 3.13Å; N614-E617 WeakPolarHBondContact OD1-CG 3.27Å; N614-E617 PolarHBondContact OD1-N 2.98Å; E617-R620 PolarHBondContact O-N 2.92Å; E617-L621 WeakPolarHBondContact O-CB 3.36Å; E617-L621 PolarHBondContact O-N 3.04Å |
| 618 | M | 86.3 | Confident | 79 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 174.4 | -71.5 | 177.4 | 174.7 | 0 | 0 | 112 | I558 F610 L613 N614 L615 R620 L621 A622 | I558-M618 HydrophobicContact CD1-CB 4.06Å; I558-M618 HydrophobicContact CD1-CG 4.11Å; I558-M618 HydrophobicContact CD1-SD 3.56Å; I558-M618 VanDerWaalsContact CD1-SD 3.56Å; I558-M618 HydrophobicContact CG1-CB 4.22Å; I558-M618 HydrophobicContact CG1-SD 4.08Å; I558-M618 HydrophobicContact CG2-CB 4.07Å; F610-M618 HydrophobicContact CD1-CE 4.48Å; F610-M618 HydrophobicContact CE1-CE 4.27Å; F610-M618 HydrophobicContact CE2-CG 4.4Å; F610-M618 HydrophobicContact CZ-CG 4.4Å; F610-M618 WeakPolarHBondContact O-CE 3.36Å; L613-M618 HydrophobicContact CB-CE 4.25Å; L613-M618 HydrophobicContact CB-CG 3.86Å; L613-M618 WeakPolarHBondContact O-CE 3.47Å; N614-M618 WeakPolarHBondContact O-CG 3.27Å; N614-M618 PolarHBondContact O-N 2.92Å; L615-M618 PolarHBondContact O-N 3.16Å; M618-R620 VanDerWaalsContact C-N 3.33Å; M618-R620 PolarHBondContact O-N 3.38Å; M618-L621 PolarHBondContact O-N 3.32Å; M618-A622 WeakPolarHBondContact O-CB 3.11Å; M618-A622 PolarHBondContact O-N 2.92Å |
| 619 | I | 86.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.7 | -69.1 | 164.5 | 0 | 0 | 0 | 110.2 | A561 T562 D565 W585 I589 L615 T616 L621 A622 K623 | A561-I619 HydrophobicContact CB-CD1 3.86Å; A561-I619 HydrophobicContact CB-CG1 3.9Å; T562-I619 HydrophobicContact CG2-CG2 4.45Å; D565-I619 HydrophobicContact CB-CG2 4.38Å; W585-I619 HydrophobicContact CZ2-CD1 4.1Å; I589-I619 HydrophobicContact CD1-CD1 4.21Å; L615-I619 HydrophobicContact CD1-CD1 4.38Å; L615-I619 HydrophobicContact CD1-CG1 4.41Å; L615-I619 HydrophobicContact CG-CD1 4.05Å; L615-I619 VanDerWaalsContact O-CG1 3.27Å; L615-I619 WeakPolarHBondContact O-CG1 3.05Å; L615-I619 PolarHBondContact O-N 3.3Å; T616-I619 PolarHBondContact O-N 3.26Å; I619-L621 VanDerWaalsContact C-N 3.33Å; I619-L621 PolarHBondContact O-N 3.01Å; I619-A622 PolarHBondContact O-N 3.19Å; I619-K623 WeakPolarHBondContact O-CG 3.22Å; I619-K623 PolarHBondContact O-N 3.25Å |
| 620 | R | 85.7 | Confident | 78.9 | Confident | 173 Ų | 173 | 50.7 Ų | 50.7 | 65% | 0.653 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 178.3 | -163.6 | 179 | -173.9 | 124 | 1.1 | 111.6 | L601 T616 E617 M618 K623 T624 | L601-R620 HydrophobicContact CD1-CG 4.49Å; T616-R620 WeakPolarHBondContact O-CB 3.38Å; T616-R620 PolarHBondContact O-N 3.39Å; E617-R620 PolarHBondContact O-N 2.92Å; M618-R620 VanDerWaalsContact C-N 3.33Å; M618-R620 PolarHBondContact O-N 3.38Å; R620-K623 PolarHBondContact O-N 3.21Å; R620-T624 PolarHBondContact O-N 2.95Å; R620-T624 PolarHBondContact O-OG1 3.35Å |
| 621 | L | 85.9 | Confident | 78.2 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 174 | -170.4 | 74.8 | 0 | 0 | 0 | 111.1 | L601 L604 F610 L613 E617 M618 I619 K623 T624 I625 I637 | L601-L621 HydrophobicContact CD2-CD1 4.24Å; L604-L621 HydrophobicContact CD1-CD1 4Å; F610-L621 HydrophobicContact CD2-CD2 3.79Å; F610-L621 HydrophobicContact CE2-CD2 3.75Å; L613-L621 HydrophobicContact CD1-CD2 4.31Å; E617-L621 WeakPolarHBondContact O-CB 3.36Å; E617-L621 PolarHBondContact O-N 3.04Å; M618-L621 PolarHBondContact O-N 3.32Å; I619-L621 VanDerWaalsContact C-N 3.33Å; I619-L621 PolarHBondContact O-N 3.01Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.3Å; L621-T624 WeakPolarHBondContact O-CA 2.97Å; L621-T624 VanDerWaalsContact O-CB 3.28Å; L621-T624 WeakPolarHBondContact O-CB 3.19Å; L621-T624 PolarHBondContact O-N 3.21Å; L621-I625 WeakPolarHBondContact O-CG1 3.42Å; L621-I625 PolarHBondContact O-N 3.41Å; L621-I637 HydrophobicContact CD1-CD1 4.33Å; L621-I637 HydrophobicContact CD2-CG1 4.44Å |
| 622 | A | 87.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I558 T562 M618 I619 T624 I625 A626 L641 | I558-A622 HydrophobicContact CG2-CB 3.97Å; T562-A622 HydrophobicContact CG2-CB 4.28Å; T562-A622 WeakPolarHBondContact OG1-CB 3.34Å; M618-A622 WeakPolarHBondContact O-CB 3.11Å; M618-A622 PolarHBondContact O-N 2.92Å; I619-A622 PolarHBondContact O-N 3.19Å; A622-T624 VanDerWaalsContact C-N 3.31Å; A622-T624 PolarHBondContact O-N 3.46Å; A622-I625 WeakPolarHBondContact O-CB 3.16Å; A622-I625 PolarHBondContact O-N 2.86Å; A622-A626 PolarHBondContact O-N 3.04Å; A622-A626 VanDerWaalsContact O-N 3.14Å; A622-L641 HydrophobicContact CB-CD1 4.49Å |
| 623 | K | 86.5 | Confident | 76.1 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 170.5 | -70.4 | -178.5 | 178.5 | -175.6 | 0 | 111.9 | T562 D565 I619 R620 L621 I625 A626 Y627 L655 | T562-K623 HydrophobicContact CG2-CG 3.66Å; D565-K623 WeakPolarHBondContact OD2-CE 3.29Å; D565-K623 IonicContact OD2-NZ 2.58Å; D565-K623 PolarHBondContact OD2-NZ 2.65Å; I619-K623 WeakPolarHBondContact O-CG 3.22Å; I619-K623 PolarHBondContact O-N 3.25Å; R620-K623 PolarHBondContact O-N 3.21Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.3Å; K623-I625 VanDerWaalsContact C-N 3.32Å; K623-I625 PolarHBondContact O-N 3.48Å; K623-A626 WeakPolarHBondContact O-CB 3.43Å; K623-A626 PolarHBondContact O-N 3.23Å; K623-A626 VanDerWaalsContact O-N 3.12Å; K623-Y627 HydrophobicContact CB-CE2 4.09Å; K623-Y627 WeakPolarHBondContact O-CD2 3.39Å; K623-Y627 WeakPolarHBondContact O-CE2 3.36Å; K623-Y627 PolarHBondContact O-N 3.05Å; K623-L655 HydrophobicContact CG-CD1 4.43Å; K623-L655 HydrophobicContact CG-CD2 4.49Å |
| 624 | T | 84.4 | Confident | 75.3 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.2 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | R620 L621 A622 A626 Y627 D628 | R620-T624 PolarHBondContact O-N 2.95Å; R620-T624 PolarHBondContact O-OG1 3.35Å; L621-T624 WeakPolarHBondContact O-CA 2.97Å; L621-T624 VanDerWaalsContact O-CB 3.28Å; L621-T624 WeakPolarHBondContact O-CB 3.19Å; L621-T624 PolarHBondContact O-N 3.21Å; A622-T624 VanDerWaalsContact C-N 3.31Å; A622-T624 PolarHBondContact O-N 3.46Å; T624-A626 VanDerWaalsContact C-N 3.27Å; T624-A626 PolarHBondContact O-N 2.82Å; T624-Y627 PolarHBondContact O-N 2.95Å; T624-Y627 VanDerWaalsContact O-N 3.15Å; T624-D628 PolarHBondContact O-N 2.98Å |
| 625 | I | 84 | Confident | 74 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 174.9 | -64.5 | 166.4 | 0 | 0 | 0 | 111.7 | L621 A622 K623 Y627 I637 L641 I642 M645 | L621-I625 WeakPolarHBondContact O-CG1 3.42Å; L621-I625 PolarHBondContact O-N 3.41Å; A622-I625 WeakPolarHBondContact O-CB 3.16Å; A622-I625 PolarHBondContact O-N 2.86Å; K623-I625 VanDerWaalsContact C-N 3.32Å; K623-I625 PolarHBondContact O-N 3.48Å; I625-Y627 VanDerWaalsContact C-N 3.31Å; I625-Y627 PolarHBondContact O-N 2.58Å; I625-I637 HydrophobicContact CD1-CD1 4.48Å; I625-I637 HydrophobicContact CD1-CG2 3.59Å; I625-I637 HydrophobicContact CG1-CD1 4.32Å; I625-I637 HydrophobicContact CG1-CG2 4.43Å; I625-L641 HydrophobicContact CD1-CD2 3.63Å; I625-L641 HydrophobicContact CD1-CG 3.87Å; I625-I642 HydrophobicContact CD1-CG1 4.21Å; I625-I642 HydrophobicContact CG2-CB 4.46Å; I625-I642 HydrophobicContact CG2-CG1 4.21Å; I625-I642 HydrophobicContact CG2-CG2 4.38Å; I625-M645 HydrophobicContact CG2-CB 4.29Å; I625-M645 HydrophobicContact CG2-CG 4.4Å |
| 626 | A | 82.1 | Confident | 73.3 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.8 | -26.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A622 K623 T624 M645 C652 L655 | A622-A626 PolarHBondContact O-N 3.04Å; A622-A626 VanDerWaalsContact O-N 3.14Å; K623-A626 WeakPolarHBondContact O-CB 3.43Å; K623-A626 PolarHBondContact O-N 3.23Å; K623-A626 VanDerWaalsContact O-N 3.12Å; T624-A626 VanDerWaalsContact C-N 3.27Å; T624-A626 PolarHBondContact O-N 2.82Å; A626-M645 HydrophobicContact CB-CE 3.56Å; A626-M645 HydrophobicContact CB-CG 4.25Å; A626-C652 HydrophobicContact CB-CB 4.23Å; A626-L655 HydrophobicContact CB-CD1 3.93Å |
| 627 | Y | 77.5 | Confident | 72.7 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.9 | -30.5 | 176.8 | -64.1 | -61.7 | 0 | 0 | 0 | 113.1 | K623 T624 I625 Q629 L655 T659 | K623-Y627 HydrophobicContact CB-CE2 4.09Å; K623-Y627 WeakPolarHBondContact O-CD2 3.39Å; K623-Y627 WeakPolarHBondContact O-CE2 3.36Å; K623-Y627 PolarHBondContact O-N 3.05Å; T624-Y627 PolarHBondContact O-N 2.95Å; T624-Y627 VanDerWaalsContact O-N 3.15Å; I625-Y627 VanDerWaalsContact C-N 3.31Å; I625-Y627 PolarHBondContact O-N 2.58Å; Y627-Q629 PolarHBondContact O-N 2.94Å; Y627-L655 VanDerWaalsContact CE1-C 3.48Å; Y627-L655 HydrophobicContact CE1-CB 4.13Å; Y627-L655 VanDerWaalsContact CE1-O 3.31Å; Y627-L655 WeakPolarHBondContact CE1-O 3.27Å; Y627-T659 HydrophobicContact CE1-CG2 3.76Å; Y627-T659 WeakPolarHBondContact OH-CG2 3.22Å |
| 628 | D | 70.1 | Confident | 72.6 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -82.2 | 108.3 | -172.4 | -159.8 | -11.9 | 0 | 0 | 0 | 112.1 | T624 T630 | T624-D628 PolarHBondContact O-N 2.98Å; D628-T630 VanDerWaalsContact C-N 3.28Å; D628-T630 WeakPolarHBondContact OD1-CB 3.43Å; D628-T630 PolarHBondContact OD1-N 2.95Å; D628-T630 PolarHBondContact OD1-OG1 2.7Å; D628-T630 PolarHBondContact OD2-OG1 3.25Å | ||
| 629 | Q | 59.5 | Low | 72.4 | Confident | 166 Ų | 166 | 70.3 Ų | 70.3 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | trans | -74.9 | -19.4 | 175.4 | -68.8 | -166.3 | 5.5 | 0 | 0 | 112.6 | Y627 N631 | Y627-Q629 PolarHBondContact O-N 2.94Å; Q629-N631 PolarHBondContact O-N 2.83Å | ||
| 630 | T | 54.3 | Low | 72.3 | Confident | 77 Ų | 77 | 71 Ų | 71 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -75.4 | 132.8 | -179.4 | 69.7 | 0 | 0 | 0 | 0 | 109.1 | D628 N632 | D628-T630 VanDerWaalsContact C-N 3.28Å; D628-T630 WeakPolarHBondContact OD1-CB 3.43Å; D628-T630 PolarHBondContact OD1-N 2.95Å; D628-T630 PolarHBondContact OD1-OG1 2.7Å; D628-T630 PolarHBondContact OD2-OG1 3.25Å; T630-N632 PolarHBondContact O-N 2.81Å |
| 631 | N | 54.4 | Low | 72.3 | Confident | 132 Ų | 132 | 62.8 Ų | 62.8 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | trans | -74.6 | 20.1 | 168.9 | -80 | -22.2 | 0 | 0 | 0 | 111.7 | Q629 V633 K646 | Q629-N631 PolarHBondContact O-N 2.83Å; N631-V633 PolarHBondContact O-N 2.97Å; N631-K646 PolarHBondContact OD1-NZ 2.82Å | ||
| 632 | N | 48.9 | Very low | 72.3 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | trans | -77.4 | 78.2 | 174.5 | -105.3 | -0.9 | 0 | 0 | 0 | 108.7 | T630 N634 | T630-N632 PolarHBondContact O-N 2.81Å; N632-N634 PolarHBondContact O-N 2.9Å | ||
| 633 | V | 51.1 | Low | 72.2 | Confident | 68 Ų | 68 | 71 Ų | 71 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | trans | -71.2 | 109.8 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | N631 S635 I642 | N631-V633 PolarHBondContact O-N 2.97Å; V633-S635 PolarHBondContact O-N 2.83Å; V633-I642 HydrophobicContact CB-CD1 4.08Å; V633-I642 HydrophobicContact CG1-CD1 3.25Å; V633-I642 HydrophobicContact CG2-CD1 3.74Å | ||
| 634 | N | 58.1 | Low | 72.2 | Confident | 115 Ų | 115 | 69.9 Ų | 69.9 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | trans | -51.7 | 125.1 | 160.8 | -100.9 | -13.1 | 0 | 0 | 0 | 108 | N632 T636 I637 | N632-N634 PolarHBondContact O-N 2.9Å; N634-T636 PolarHBondContact O-N 3.25Å; N634-I637 HydrophobicContact CB-CD1 4.49Å; N634-I637 PolarHBondContact O-N 2.97Å; N634-I637 VanDerWaalsContact O-N 3.17Å | ||
| 635 | S | 57.8 | Low | 72.4 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 77% | 0.769 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 3.2 | -177 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | V633 | V633-S635 PolarHBondContact O-N 2.83Š|
| 636 | T | 68.6 | Low | 72.4 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -9 | -178.5 | 47 | 0 | 0 | 0 | 0 | 113.7 | S605 N634 | S605-T636 VanDerWaalsContact C-CG2 3.43Å; S605-T636 WeakPolarHBondContact O-CG2 3.25Å; N634-T636 PolarHBondContact O-N 3.25Å |
| 637 | I | 74.4 | Confident | 72.4 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -100.9 | 130.4 | -178.7 | -57.3 | 178.2 | 0 | 0 | 0 | 110.2 | L621 I625 N634 L639 L641 I642 | L621-I637 HydrophobicContact CD1-CD1 4.33Å; L621-I637 HydrophobicContact CD2-CG1 4.44Å; I625-I637 HydrophobicContact CD1-CD1 4.48Å; I625-I637 HydrophobicContact CD1-CG2 3.59Å; I625-I637 HydrophobicContact CG1-CD1 4.32Å; I625-I637 HydrophobicContact CG1-CG2 4.43Å; N634-I637 HydrophobicContact CB-CD1 4.49Å; N634-I637 PolarHBondContact O-N 2.97Å; N634-I637 VanDerWaalsContact O-N 3.17Å; I637-L639 PolarHBondContact O-N 3.35Å; I637-L641 HydrophobicContact CG2-CD2 4.36Å; I637-I642 HydrophobicContact CB-CD1 4.14Å; I637-I642 HydrophobicContact CG2-CD1 3.88Å; I637-I642 HydrophobicContact CG2-CG1 3.79Å |
| 638 | P | 81.2 | Confident | 72.7 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | trans | -56.3 | 124.6 | 178.6 | -25.9 | 33.8 | 0 | 0 | 0 | 112.9 | F610 A640 L641 I642 | F610-P638 HydrophobicContact CB-CG 4.43Å; F610-P638 HydrophobicContact CD1-CG 3.66Å; F610-P638 HydrophobicContact CD2-CG 4.16Å; F610-P638 HydrophobicContact CE1-CG 3.81Å; F610-P638 HydrophobicContact CE2-CG 4.31Å; F610-P638 HydrophobicContact CG-CG 3.82Å; F610-P638 HydrophobicContact CZ-CG 4.1Å; P638-A640 PolarHBondContact O-N 3.49Å; P638-A640 VanDerWaalsContact O-N 3.16Å; P638-L641 HydrophobicContact CB-CB 4.32Å; P638-L641 WeakPolarHBondContact O-CB 3.25Å; P638-L641 PolarHBondContact O-N 2.99Å; P638-I642 PolarHBondContact O-N 3.2Å | ||
| 639 | L | 82 | Confident | 73.2 | Confident | 137 Ų | 137 | 68 Ų | 68 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.6 | -34.4 | 179.7 | -115.1 | 153.6 | 0 | 0 | 0 | 113.1 | I637 I642 K643 | I637-L639 PolarHBondContact O-N 3.35Å; L639-I642 PolarHBondContact O-N 3.39Å; L639-K643 WeakPolarHBondContact O-CB 3.2Å; L639-K643 PolarHBondContact O-N 3.4Å |
| 640 | A | 84.8 | Confident | 74 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V552 A555 P638 K643 I644 | V552-A640 HydrophobicContact CG2-CB 4.19Å; A555-A640 HydrophobicContact CB-CB 3.94Å; P638-A640 PolarHBondContact O-N 3.49Å; P638-A640 VanDerWaalsContact O-N 3.16Å; A640-K643 PolarHBondContact O-N 3.05Å; A640-I644 WeakPolarHBondContact O-CB 3.32Å; A640-I644 WeakPolarHBondContact O-CD1 3.29Å; A640-I644 VanDerWaalsContact O-CG1 3.27Å; A640-I644 WeakPolarHBondContact O-CG1 3.44Å; A640-I644 PolarHBondContact O-N 3.36Å |
| 641 | L | 86 | Confident | 75.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 178.4 | -177.8 | 63.8 | 0 | 0 | 0 | 111 | A555 I558 V559 F610 A622 I625 I637 P638 K643 I644 M645 | A555-L641 HydrophobicContact CB-CB 4.09Å; A555-L641 HydrophobicContact CB-CD1 4.32Å; I558-L641 HydrophobicContact CB-CD1 4.13Å; I558-L641 HydrophobicContact CG2-CD1 3.93Å; V559-L641 HydrophobicContact CG2-CD1 3.74Å; F610-L641 HydrophobicContact CE2-CD2 3.79Å; F610-L641 HydrophobicContact CZ-CD2 3.91Å; A622-L641 HydrophobicContact CB-CD1 4.49Å; I625-L641 HydrophobicContact CD1-CD2 3.63Å; I625-L641 HydrophobicContact CD1-CG 3.87Å; I637-L641 HydrophobicContact CG2-CD2 4.36Å; P638-L641 HydrophobicContact CB-CB 4.32Å; P638-L641 WeakPolarHBondContact O-CB 3.25Å; P638-L641 PolarHBondContact O-N 2.99Å; L641-K643 PolarHBondContact O-N 2.85Å; L641-I644 PolarHBondContact O-N 2.84Å; L641-M645 VanDerWaalsContact O-CB 3.23Å; L641-M645 WeakPolarHBondContact O-CB 3.33Å; L641-M645 PolarHBondContact O-N 3.45Å |
| 642 | I | 84.4 | Confident | 76.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 178.7 | -60.5 | 172.4 | 0 | 0 | 0 | 110.3 | I625 V633 I637 P638 L639 K646 | I625-I642 HydrophobicContact CD1-CG1 4.21Å; I625-I642 HydrophobicContact CG2-CB 4.46Å; I625-I642 HydrophobicContact CG2-CG1 4.21Å; I625-I642 HydrophobicContact CG2-CG2 4.38Å; V633-I642 HydrophobicContact CB-CD1 4.08Å; V633-I642 HydrophobicContact CG1-CD1 3.25Å; V633-I642 HydrophobicContact CG2-CD1 3.74Å; I637-I642 HydrophobicContact CB-CD1 4.14Å; I637-I642 HydrophobicContact CG2-CD1 3.88Å; I637-I642 HydrophobicContact CG2-CG1 3.79Å; P638-I642 PolarHBondContact O-N 3.2Å; L639-I642 PolarHBondContact O-N 3.39Å; I642-K646 HydrophobicContact CG2-CD 4.09Å; I642-K646 HydrophobicContact CG2-CG 4.41Å; I642-K646 WeakPolarHBondContact O-CB 3.26Å; I642-K646 WeakPolarHBondContact O-CG 3.48Å; I642-K646 PolarHBondContact O-N 3.01Å |
| 643 | K | 85.8 | Confident | 78.4 | Confident | 165 Ų | 165 | 51.7 Ų | 51.7 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | -178.5 | -169.8 | 177.3 | -179.7 | -179.8 | 0 | 112.1 | L639 A640 L641 S647 | L639-K643 WeakPolarHBondContact O-CB 3.2Å; L639-K643 PolarHBondContact O-N 3.4Å; A640-K643 PolarHBondContact O-N 3.05Å; L641-K643 PolarHBondContact O-N 2.85Å; K643-S647 WeakPolarHBondContact O-CB 3.48Å; K643-S647 PolarHBondContact O-N 3.23Å; K643-S647 VanDerWaalsContact O-N 3.13Å |
| 644 | I | 87 | Confident | 79.9 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.4 | -43.9 | -178.9 | -63.4 | 165.5 | 0 | 0 | 0 | 110.4 | L486 V552 A555 E556 V559 A640 L641 K646 S647 L648 | L486-I644 HydrophobicContact CD1-CG2 3.95Å; V552-I644 HydrophobicContact CG1-CD1 4.21Å; A555-I644 HydrophobicContact CB-CD1 3.78Å; E556-I644 HydrophobicContact CG-CD1 3.74Å; V559-I644 HydrophobicContact CB-CG2 4.04Å; V559-I644 HydrophobicContact CG1-CG2 4.09Å; V559-I644 HydrophobicContact CG2-CB 4.19Å; V559-I644 HydrophobicContact CG2-CG2 3.84Å; A640-I644 WeakPolarHBondContact O-CB 3.32Å; A640-I644 WeakPolarHBondContact O-CD1 3.29Å; A640-I644 VanDerWaalsContact O-CG1 3.27Å; A640-I644 WeakPolarHBondContact O-CG1 3.44Å; A640-I644 PolarHBondContact O-N 3.36Å; L641-I644 PolarHBondContact O-N 2.84Å; I644-K646 PolarHBondContact O-N 2.9Å; I644-S647 WeakPolarHBondContact O-CB 3.28Å; I644-S647 PolarHBondContact O-N 3.4Å; I644-S647 VanDerWaalsContact O-N 3.1Å; I644-S647 PolarHBondContact O-OG 3.5Å; I644-L648 PolarHBondContact O-N 3.08Å |
| 645 | M | 87.7 | Confident | 81 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 178.5 | -168 | 65.3 | -172.8 | 0 | 0 | 111.2 | V559 T562 I625 A626 L641 S647 L648 L651 C652 L655 | V559-M645 HydrophobicContact CB-SD 4.43Å; V559-M645 HydrophobicContact CG1-SD 3.87Å; V559-M645 HydrophobicContact CG2-CB 4.07Å; V559-M645 HydrophobicContact CG2-SD 4.05Å; T562-M645 HydrophobicContact CG2-CE 3.73Å; T562-M645 HydrophobicContact CG2-SD 4.46Å; I625-M645 HydrophobicContact CG2-CB 4.29Å; I625-M645 HydrophobicContact CG2-CG 4.4Å; A626-M645 HydrophobicContact CB-CE 3.56Å; A626-M645 HydrophobicContact CB-CG 4.25Å; L641-M645 VanDerWaalsContact O-CB 3.23Å; L641-M645 WeakPolarHBondContact O-CB 3.33Å; L641-M645 PolarHBondContact O-N 3.45Å; M645-S647 PolarHBondContact O-N 3.28Å; M645-L648 PolarHBondContact O-N 3.5Å; M645-L648 VanDerWaalsContact O-N 3.07Å; M645-L651 HydrophobicContact CE-CD2 3.76Å; M645-L651 HydrophobicContact CE-CG 4.25Å; M645-L651 HydrophobicContact SD-CD2 4.42Å; M645-C652 PolarHBondContact O-SG 2.75Å; M645-L655 HydrophobicContact CE-CD1 3.79Å |
| 646 | K | 84.3 | Confident | 81.9 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 30% | 0.296 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.6 | -18 | 177.5 | -68 | -166.9 | 179.1 | -163.8 | 0 | 113.3 | N631 I642 I644 L648 | N631-K646 PolarHBondContact OD1-NZ 2.82Å; I642-K646 HydrophobicContact CG2-CD 4.09Å; I642-K646 HydrophobicContact CG2-CG 4.41Å; I642-K646 WeakPolarHBondContact O-CB 3.26Å; I642-K646 WeakPolarHBondContact O-CG 3.48Å; I642-K646 PolarHBondContact O-N 3.01Å; I644-K646 PolarHBondContact O-N 2.9Å; K646-L648 VanDerWaalsContact C-N 3.34Å |
| 647 | S | 82.3 | Confident | 82 | Confident | 65 Ų | 65 | 52 Ų | 52 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.8 | -26.4 | 172.8 | 77.6 | 0 | 0 | 0 | 0 | 113 | K643 I644 M645 T649 | K643-S647 WeakPolarHBondContact O-CB 3.48Å; K643-S647 PolarHBondContact O-N 3.23Å; K643-S647 VanDerWaalsContact O-N 3.13Å; I644-S647 WeakPolarHBondContact O-CB 3.28Å; I644-S647 PolarHBondContact O-N 3.4Å; I644-S647 VanDerWaalsContact O-N 3.1Å; I644-S647 PolarHBondContact O-OG 3.5Å; M645-S647 PolarHBondContact O-N 3.28Å; S647-T649 PolarHBondContact O-N 3.49Å |
| 648 | L | 85.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | trans | -83.9 | 65.7 | 173.6 | -59.6 | -172.8 | 0 | 0 | 0 | 110.6 | Q484 L486 V559 I644 M645 K646 V650 L651 C652 | Q484-L648 VanDerWaalsContact C-CD2 3.45Å; L486-L648 HydrophobicContact CD1-CD1 4.39Å; L486-L648 HydrophobicContact CG-CD1 4.41Å; V559-L648 HydrophobicContact CG1-CD1 3.31Å; V559-L648 HydrophobicContact CG1-CG 4.17Å; I644-L648 PolarHBondContact O-N 3.08Å; M645-L648 PolarHBondContact O-N 3.5Å; M645-L648 VanDerWaalsContact O-N 3.07Å; K646-L648 VanDerWaalsContact C-N 3.34Å; L648-V650 VanDerWaalsContact C-N 3.28Å; L648-V650 PolarHBondContact O-N 2.93Å; L648-L651 HydrophobicContact CB-CB 4.01Å; L648-L651 HydrophobicContact CB-CD2 4.5Å; L648-L651 HydrophobicContact CD1-CD2 4Å; L648-L651 PolarHBondContact O-N 3.43Å; L648-C652 PolarHBondContact O-N 2.97Å; L648-C652 PolarHBondContact O-SG 3.36Å | ||
| 649 | T | 78.8 | Confident | 80.1 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.8 | -42.5 | -173.4 | 52.2 | 0 | 0 | 0 | 0 | 113 | S647 L651 C652 E653 | S647-T649 PolarHBondContact O-N 3.49Å; T649-L651 PolarHBondContact O-N 3.07Å; T649-C652 PolarHBondContact O-N 3.48Å; T649-E653 WeakPolarHBondContact O-CG 3.31Å; T649-E653 PolarHBondContact O-N 3.21Å |
| 650 | V | 77.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 112 | Q484 L648 R654 | Q484-V650 HydrophobicContact CB-CG2 4.49Å; Q484-V650 VanDerWaalsContact CD-CG2 3.49Å; Q484-V650 HydrophobicContact CG-CG2 4.22Å; L648-V650 VanDerWaalsContact C-N 3.28Å; L648-V650 PolarHBondContact O-N 2.93Å; V650-R654 VanDerWaalsContact O-CB 3.3Å; V650-R654 WeakPolarHBondContact O-CB 3.45Å; V650-R654 VanDerWaalsContact O-CG 3.3Å; V650-R654 WeakPolarHBondContact O-CG 3.49Å; V650-R654 PolarHBondContact O-N 3.2Å |
| 651 | L | 84.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 178 | 179.6 | 64.4 | 0 | 0 | 0 | 110.4 | Y477 E563 Y566 M645 L648 T649 R654 L655 | Y477-L651 HydrophobicContact CE2-CD1 4.38Å; E563-L651 HydrophobicContact CB-CD2 3.95Å; E563-L651 HydrophobicContact CG-CD2 4.19Å; Y566-L651 HydrophobicContact CD1-CD1 3.46Å; Y566-L651 VanDerWaalsContact CD1-CD1 3.46Å; Y566-L651 HydrophobicContact CE1-CD1 4.22Å; Y566-L651 HydrophobicContact CG-CD1 3.8Å; M645-L651 HydrophobicContact CE-CD2 3.76Å; M645-L651 HydrophobicContact CE-CG 4.25Å; M645-L651 HydrophobicContact SD-CD2 4.42Å; L648-L651 HydrophobicContact CB-CB 4.01Å; L648-L651 HydrophobicContact CB-CD2 4.5Å; L648-L651 HydrophobicContact CD1-CD2 4Å; L648-L651 PolarHBondContact O-N 3.43Å; T649-L651 PolarHBondContact O-N 3.07Å; L651-R654 PolarHBondContact O-N 2.74Å; L651-L655 HydrophobicContact CD1-CD1 4.1Å; L651-L655 HydrophobicContact CD1-CG 4.2Å; L651-L655 HydrophobicContact CG-CD1 3.91Å; L651-L655 HydrophobicContact CG-CG 4.43Å; L651-L655 WeakPolarHBondContact O-CB 3.22Å; L651-L655 WeakPolarHBondContact O-CG 3.4Å; L651-L655 PolarHBondContact O-N 3.45Å |
| 652 | C | 83.8 | Confident | 73.2 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.122 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.6 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | A626 M645 L648 T649 R654 L655 H656 | A626-C652 HydrophobicContact CB-CB 4.23Å; M645-C652 PolarHBondContact O-SG 2.75Å; L648-C652 PolarHBondContact O-N 2.97Å; L648-C652 PolarHBondContact O-SG 3.36Å; T649-C652 PolarHBondContact O-N 3.48Å; C652-R654 VanDerWaalsContact C-N 3.25Å; C652-R654 PolarHBondContact O-N 2.71Å; C652-L655 PolarHBondContact O-N 3.1Å; C652-H656 PolarHBondContact O-N 2.77Å; C652-H656 VanDerWaalsContact O-N 3.11Å |
| 653 | E | 81.2 | Confident | 70.5 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.3 | -39.9 | 176.7 | -77.3 | -178.7 | -178.9 | 0 | 0 | 112.3 | T649 K657 | T649-E653 WeakPolarHBondContact O-CG 3.31Å; T649-E653 PolarHBondContact O-N 3.21Å; E653-K657 PolarHBondContact O-N 2.74Å |
| 654 | R | 82.1 | Confident | 67.7 | Low | 81 Ų | 81 | 68.2 Ų | 68.2 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -79 | -36.2 | -176.6 | -77.2 | -155.9 | -177.4 | -167.4 | 7.3 | 114 | R476 Y566 V650 L651 C652 H656 K657 H658 | R476-R654 PolarHBondContact O-NH1 2.94Å; Y566-R654 HydrophobicContact CE1-CB 4.09Å; Y566-R654 WeakPolarHBondContact OH-CB 3.17Å; V650-R654 VanDerWaalsContact O-CB 3.3Å; V650-R654 WeakPolarHBondContact O-CB 3.45Å; V650-R654 VanDerWaalsContact O-CG 3.3Å; V650-R654 WeakPolarHBondContact O-CG 3.49Å; V650-R654 PolarHBondContact O-N 3.2Å; L651-R654 PolarHBondContact O-N 2.74Å; C652-R654 VanDerWaalsContact C-N 3.25Å; C652-R654 PolarHBondContact O-N 2.71Å; R654-H656 VanDerWaalsContact C-N 3.26Å; R654-H656 PolarHBondContact O-N 3.31Å; R654-K657 PolarHBondContact O-N 2.91Å; R654-H658 PolarHBondContact O-N 2.73Å |
| 655 | L | 82.6 | Confident | 64.8 | Low | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 170 | -77.9 | 168.5 | 0 | 0 | 0 | 109.6 | Y566 K623 A626 Y627 M645 L651 C652 K657 H658 | Y566-L655 HydrophobicContact CD2-CD2 3.44Å; Y566-L655 VanDerWaalsContact CD2-CD2 3.44Å; Y566-L655 HydrophobicContact CD2-CG 4.2Å; Y566-L655 HydrophobicContact CE2-CD2 3.98Å; Y566-L655 HydrophobicContact CE2-CG 4.5Å; Y566-L655 HydrophobicContact CG-CD2 4.03Å; K623-L655 HydrophobicContact CG-CD1 4.43Å; K623-L655 HydrophobicContact CG-CD2 4.49Å; A626-L655 HydrophobicContact CB-CD1 3.93Å; Y627-L655 VanDerWaalsContact CE1-C 3.48Å; Y627-L655 HydrophobicContact CE1-CB 4.13Å; Y627-L655 VanDerWaalsContact CE1-O 3.31Å; Y627-L655 WeakPolarHBondContact CE1-O 3.27Å; M645-L655 HydrophobicContact CE-CD1 3.79Å; L651-L655 HydrophobicContact CD1-CD1 4.1Å; L651-L655 HydrophobicContact CD1-CG 4.2Å; L651-L655 HydrophobicContact CG-CD1 3.91Å; L651-L655 HydrophobicContact CG-CG 4.43Å; L651-L655 WeakPolarHBondContact O-CB 3.22Å; L651-L655 WeakPolarHBondContact O-CG 3.4Å; L651-L655 PolarHBondContact O-N 3.45Å; C652-L655 PolarHBondContact O-N 3.1Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 2.98Å; L655-H658 PolarHBondContact O-N 3.24Å |
| 656 | H | 75.2 | Confident | 61.8 | Low | 79 Ų | 79 | 80.4 Ų | 80.4 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.9 | -41.8 | 178.4 | -160.4 | 82.9 | 0 | 0 | 0 | 113.3 | C652 R654 H658 T659 | C652-H656 PolarHBondContact O-N 2.77Å; C652-H656 VanDerWaalsContact O-N 3.11Å; R654-H656 VanDerWaalsContact C-N 3.26Å; R654-H656 PolarHBondContact O-N 3.31Å; H656-H658 VanDerWaalsContact C-N 3.33Å; H656-H658 PolarHBondContact O-N 2.78Å; H656-T659 PolarHBondContact O-OG1 3.12Å |
| 657 | K | 70.6 | Confident | 58.9 | Low | 147 Ų | 147 | 83.7 Ų | 83.7 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -72.5 | -22.8 | 177.4 | -72.2 | -177.9 | -179.7 | 177.7 | 0 | 114.3 | E653 R654 L655 | E653-K657 PolarHBondContact O-N 2.74Å; R654-K657 PolarHBondContact O-N 2.91Å; L655-K657 VanDerWaalsContact C-N 3.33Å; L655-K657 PolarHBondContact O-N 2.98Å |
| 658 | H | 63.8 | Low | 56.1 | Low | 77 Ų | 77 | 86.9 Ų | 86.9 | 36% | 0.356 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.4 | -18.2 | -173.9 | -152.8 | -70.4 | 0 | 0 | 0 | 112.8 | Y566 R654 L655 H656 | Y566-H658 HydrophobicContact CE2-CB 4.38Å; R654-H658 PolarHBondContact O-N 2.73Å; L655-H658 PolarHBondContact O-N 3.24Å; H656-H658 VanDerWaalsContact C-N 3.33Å; H656-H658 PolarHBondContact O-N 2.78Å |
| 659 | T | 52.9 | Low | 53.2 | Low | 58 Ų | 58 | 92.5 Ų | 92.5 | 36% | 0.356 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76 | -38.5 | 174 | 34.9 | 0 | 0 | 0 | 0 | 112.7 | Y627 H656 F661 H662 | Y627-T659 HydrophobicContact CE1-CG2 3.76Å; Y627-T659 WeakPolarHBondContact OH-CG2 3.22Å; H656-T659 PolarHBondContact O-OG1 3.12Å; T659-F661 PolarHBondContact O-N 2.83Å; T659-F661 VanDerWaalsContact O-N 3.15Å; T659-H662 PolarHBondContact O-N 3.39Å; T659-H662 VanDerWaalsContact O-N 3.14Å |
| 660 | D | 39 | Very low | 50.5 | Low | 103 Ų | 103 | 98.2 Ų | 98.2 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -23.5 | -177.6 | -64.3 | -18.2 | 0 | 0 | 0 | 113.4 | S664 | D660-S664 PolarHBondContact O-OG 3.49Å |
| 661 | F | 35.9 | Very low | 48 | Very low | 143 Ų | 143 | 105.3 Ų | 105.3 | 63% | 0.627 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -83.7 | -16.2 | 178.8 | -96 | -80.4 | 0 | 0 | 0 | 114.8 | T659 S664 | T659-F661 PolarHBondContact O-N 2.83Å; T659-F661 VanDerWaalsContact O-N 3.15Å; F661-S664 WeakPolarHBondContact CA-OG 3.39Å |
| 662 | H | 32.1 | Very low | 45.1 | Very low | 130 Ų | 130 | 112.6 Ų | 112.6 | 60% | 0.602 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -85.4 | -29.2 | 177.7 | -108.8 | -78.3 | 0 | 0 | 0 | 112.6 | T659 S664 | T659-H662 PolarHBondContact O-N 3.39Å; T659-H662 VanDerWaalsContact O-N 3.14Å; H662-S664 VanDerWaalsContact C-N 3.29Å; H662-S664 PolarHBondContact O-N 3.46Å |
| 663 | D | 28 | Very low | 42.4 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.6 | -17.5 | 174.1 | -76.1 | -19.9 | 0 | 0 | 0 | 113.3 | ||
| 664 | S | 27.5 | Very low | 39.6 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -95 | 0.2 | 179.6 | 36.5 | 0 | 0 | 0 | 0 | 114.6 | D660 F661 H662 C666 | D660-S664 PolarHBondContact O-OG 3.49Å; F661-S664 WeakPolarHBondContact CA-OG 3.39Å; H662-S664 VanDerWaalsContact C-N 3.29Å; H662-S664 PolarHBondContact O-N 3.46Å; S664-C666 VanDerWaalsContact C-N 3.35Å |
| 665 | K | 26.3 | Very low | 36.9 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -87.4 | 4.9 | 172.6 | -84.5 | -176.4 | 179.8 | 173.6 | 0 | 114.7 | ||
| 666 | C | 24.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -103.4 | 18.2 | 173 | -141.2 | 0 | 0 | 0 | 0 | 114.1 | S664 | S664-C666 VanDerWaalsContact C-N 3.35Š|
| 667 | I | 23.8 | Very low | 31.6 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -128.3 | 77.8 | 169 | -52.2 | 177.7 | 0 | 0 | 0 | 108 | ||||
| 668 | T | 23.2 | Very low | 29.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | -124.5 | 66.8 | 158.7 | -44.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 669 | T | 23.6 | Very low | 27.7 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -151.6 | 127.4 | 161.9 | 3 | 0 | 0 | 0 | 0 | 106 | ||
| 670 | Q | 23.8 | Very low | 26.5 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 84.4 | 80.1 | -178.4 | -52.6 | -175.6 | -4.1 | 0 | 0 | 116.6 | ||||
| 671 | I | 24.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -114.5 | 93.5 | 136.5 | -62.5 | 178.5 | 0 | 0 | 0 | 106.4 | ||||
| 672 | N | 22.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -145.8 | 133.6 | 158 | -108.5 | -17.3 | 0 | 0 | 0 | 106.4 | ||||
| 673 | Q | 26.4 | Very low | 25.1 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 90.3 | 103.7 | 179.2 | -54.5 | 179.2 | 3.7 | 0 | 0 | 114.7 | ||||
| 674 | K | 23 | Very low | 25 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 68.4 | 102.7 | 80.9 | -84 | -172.2 | 174.4 | -179.5 | 0 | 113.6 | |||||
| 675 | S | 26.2 | Very low | 24.8 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -176.5 | 105.9 | 140.9 | 42.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 676 | T | 23.8 | Very low | 24.6 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | 56 | 107.1 | 95.4 | 58.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 677 | C | 22.5 | Very low | 24.5 | Very low | 135 Ų | 135 | 150 Ų | 150 | 91% | 0.912 | 82% | 0.82 | S | S | * | * | trans | -140.6 | 124 | 148.8 | -139.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 678 | N | 24.1 | Very low | 24.4 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -76.8 | 159 | 176.3 | -91.1 | -24.6 | 0 | 0 | 0 | 111.3 | ||||
| 679 | P | 27.2 | Very low | 24.3 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -90.3 | 149.9 | -172.5 | 36.1 | -32.1 | 0 | 0 | 0 | 112.1 | ||||
| 680 | V | 29.2 | Very low | 24.3 | Very low | 149 Ų | 149 | 150 Ų | 150 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -131.2 | 138.3 | 160.2 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 681 | Q | 26.9 | Very low | 24.4 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 145.1 | -165.5 | -71.8 | 165.5 | -48.3 | 0 | 0 | 115.8 | ||||
| 682 | S | 25.7 | Very low | 24.6 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 50.2 | 127.5 | 137 | 78.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 683 | S | 24.9 | Very low | 25.1 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | -178.3 | 157.2 | 86.7 | 61.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 684 | K | 25.1 | Very low | 25.6 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | 80.4 | 87.1 | 174.1 | -77.2 | -178.7 | 176.2 | 175.9 | 0 | 118.4 | M686 | K684-M686 PolarHBondContact O-N 2.99Š| ||
| 685 | M | 23.9 | Very low | 26.6 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | trans | -58.5 | 101.7 | 158.1 | -171.2 | 170.6 | 157.7 | 0 | 0 | 110.5 | V687 | M685-V687 HydrophobicContact CG-CG2 4.39Š| ||
| 686 | M | 21.2 | Very low | 27.4 | Very low | 151 Ų | 151 | 134 Ų | 134 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | -121.9 | 102.3 | 161.9 | -168.9 | 178.1 | 155.1 | 0 | 0 | 105.1 | K684 I688 | K684-M686 PolarHBondContact O-N 2.99Å; M686-I688 HydrophobicContact CE-CD1 3.58Å; M686-I688 HydrophobicContact CE-CG1 3.71Å; M686-I688 HydrophobicContact CG-CD1 4.46Å; M686-I688 HydrophobicContact CG-CG1 4.02Å; M686-I688 PolarHBondContact O-N 2.84Å; M686-I688 HydrophobicContact SD-CD1 4.18Å; M686-I688 HydrophobicContact SD-CG1 4.34Å | ||
| 687 | V | 22.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | trans | -73.6 | 83.9 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 107 | M685 V689 | M685-V687 HydrophobicContact CG-CG2 4.39Å; V687-V689 HydrophobicContact CG1-CG2 4.36Å | ||
| 688 | I | 21.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 53% | 0.533 | 71% | 0.707 | S | S | . | * | trans | -82.7 | 112.2 | 162 | -58 | 179.2 | 0 | 0 | 0 | 105.2 | M686 E690 | M686-I688 HydrophobicContact CE-CD1 3.58Å; M686-I688 HydrophobicContact CE-CG1 3.71Å; M686-I688 HydrophobicContact CG-CD1 4.46Å; M686-I688 HydrophobicContact CG-CG1 4.02Å; M686-I688 PolarHBondContact O-N 2.84Å; M686-I688 HydrophobicContact SD-CD1 4.18Å; M686-I688 HydrophobicContact SD-CG1 4.34Å; I688-E690 HydrophobicContact CG2-CG 3.88Å; I688-E690 PolarHBondContact O-N 3.32Å | ||
| 689 | V | 22.6 | Very low | 30.1 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | trans | -70.6 | 86.2 | 168 | -179 | 0 | 0 | 0 | 0 | 106.4 | V687 | V687-V689 HydrophobicContact CG1-CG2 4.36Š| ||
| 690 | E | 23.7 | Very low | 30.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | trans | -70.7 | 141.5 | 171.7 | -78.3 | -167.5 | 157.7 | 0 | 0 | 110 | I688 A692 | I688-E690 HydrophobicContact CG2-CG 3.88Å; I688-E690 PolarHBondContact O-N 3.32Å; E690-A692 PolarHBondContact O-N 3.39Å; E690-A692 VanDerWaalsContact O-N 3.15Å | ||
| 691 | P | 25.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | trans | -65.4 | 119.2 | 178.1 | 27.7 | -30.9 | 0 | 0 | 0 | 108.2 | D693 | P691-D693 PolarHBondContact O-N 2.84Å; P691-D693 VanDerWaalsContact O-N 3.14Å | ||
| 692 | A | 28.1 | Very low | 31.6 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -11.2 | 103.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E690 R694 | E690-A692 PolarHBondContact O-N 3.39Å; E690-A692 VanDerWaalsContact O-N 3.15Å; A692-R694 PolarHBondContact O-N 2.82Å | ||
| 693 | D | 33.5 | Very low | 32.1 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 45% | 0.449 | 65% | 0.651 | S | S | . | * | trans | -51.6 | 108.3 | 173.3 | 172.7 | 17.1 | 0 | 0 | 0 | 109.5 | P691 T695 N696 F697 | P691-D693 PolarHBondContact O-N 2.84Å; P691-D693 VanDerWaalsContact O-N 3.14Å; D693-T695 PolarHBondContact O-N 2.63Å; D693-T695 VanDerWaalsContact OD1-CB 3.24Å; D693-T695 WeakPolarHBondContact OD1-CB 3.44Å; D693-T695 PolarHBondContact OD1-N 2.8Å; D693-T695 PolarHBondContact OD1-OG1 3.21Å; D693-N696 HydrophobicContact CB-CB 4.26Å; D693-N696 WeakPolarHBondContact O-CB 3.29Å; D693-N696 PolarHBondContact O-N 3.08Å; D693-F697 PolarHBondContact O-N 2.77Å; D693-F697 VanDerWaalsContact O-N 3.14Å | ||
| 694 | R | 37.5 | Very low | 32.5 | Very low | 196 Ų | 196 | 122.7 Ų | 122.7 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -51.9 | -29.2 | 180 | -179.6 | 178.9 | 174.5 | -178.6 | -0 | 111.7 | A692 I698 | A692-R694 PolarHBondContact O-N 2.82Å; R694-I698 HydrophobicContact CG-CD1 4.4Å; R694-I698 WeakPolarHBondContact O-CG1 3.42Å; R694-I698 PolarHBondContact O-N 3.33Å; R694-I698 VanDerWaalsContact O-N 3.11Å |
| 695 | T | 42.7 | Very low | 32.7 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71 | -45.1 | -179.9 | -26 | 0 | 0 | 0 | 0 | 110.8 | D693 F697 I698 D699 | D693-T695 PolarHBondContact O-N 2.63Å; D693-T695 VanDerWaalsContact OD1-CB 3.24Å; D693-T695 WeakPolarHBondContact OD1-CB 3.44Å; D693-T695 PolarHBondContact OD1-N 2.8Å; D693-T695 PolarHBondContact OD1-OG1 3.21Å; T695-F697 PolarHBondContact O-N 3.32Å; T695-I698 PolarHBondContact O-N 3.25Å; T695-D699 PolarHBondContact O-N 3.41Å |
| 696 | N | 43.5 | Very low | 33.1 | Very low | 92 Ų | 92 | 125 Ų | 125 | 49% | 0.492 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.6 | -36.7 | 175.6 | -121.7 | -51.4 | 0 | 0 | 0 | 112.7 | D693 R700 | D693-N696 HydrophobicContact CB-CB 4.26Å; D693-N696 WeakPolarHBondContact O-CB 3.29Å; D693-N696 PolarHBondContact O-N 3.08Å; N696-R700 WeakPolarHBondContact O-CG 3.32Å; N696-R700 PolarHBondContact O-N 3.37Å |
| 697 | F | 38.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 52% | 0.522 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.1 | -41.6 | 174.9 | -177.9 | -103.6 | 0 | 0 | 0 | 112.3 | D693 T695 L701 | D693-F697 PolarHBondContact O-N 2.77Å; D693-F697 VanDerWaalsContact O-N 3.14Å; T695-F697 PolarHBondContact O-N 3.32Å; F697-L701 HydrophobicContact CD1-CD1 3.94Å; F697-L701 HydrophobicContact CE1-CD1 3.54Å; F697-L701 HydrophobicContact CZ-CD1 3.95Å; F697-L701 PolarHBondContact O-N 3.05Å |
| 698 | I | 42.8 | Very low | 33.7 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.1 | -37.8 | 178.5 | -73.1 | -174.3 | 0 | 0 | 0 | 111.9 | R694 T695 R700 L701 K702 | R694-I698 HydrophobicContact CG-CD1 4.4Å; R694-I698 WeakPolarHBondContact O-CG1 3.42Å; R694-I698 PolarHBondContact O-N 3.33Å; R694-I698 VanDerWaalsContact O-N 3.11Å; T695-I698 PolarHBondContact O-N 3.25Å; I698-R700 PolarHBondContact O-N 3.47Å; I698-L701 WeakPolarHBondContact O-CB 3.34Å; I698-L701 PolarHBondContact O-N 2.98Å; I698-K702 PolarHBondContact O-N 3.22Å |
| 699 | D | 45.8 | Very low | 34 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 46% | 0.46 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70.2 | -31.6 | 179.3 | -83.2 | -11.8 | 0 | 0 | 0 | 113 | T695 L701 K702 | T695-D699 PolarHBondContact O-N 3.41Å; D699-L701 VanDerWaalsContact C-N 3.28Å; D699-L701 PolarHBondContact O-N 3.13Å; D699-K702 PolarHBondContact O-N 3.02Å; D699-K702 IonicContact OD1-NZ 3.29Å; D699-K702 PolarHBondContact OD1-NZ 2.89Å |
| 700 | R | 40.7 | Very low | 34.3 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 75% | 0.751 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.3 | -21.9 | 171.2 | -71.3 | -172.6 | -178.9 | -161.6 | 0.6 | 113.7 | N696 I698 S703 | N696-R700 WeakPolarHBondContact O-CG 3.32Å; N696-R700 PolarHBondContact O-N 3.37Å; I698-R700 PolarHBondContact O-N 3.47Å; R700-S703 PolarHBondContact O-OG 2.85Å; R700-S703 VanDerWaalsContact O-OG 3.09Å |
| 701 | L | 35.8 | Very low | 34.5 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 41% | 0.408 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.4 | -27.2 | 174.4 | -80.5 | 162.6 | 0 | 0 | 0 | 112.8 | F697 I698 D699 S703 A704 | F697-L701 HydrophobicContact CD1-CD1 3.94Å; F697-L701 HydrophobicContact CE1-CD1 3.54Å; F697-L701 HydrophobicContact CZ-CD1 3.95Å; F697-L701 PolarHBondContact O-N 3.05Å; I698-L701 WeakPolarHBondContact O-CB 3.34Å; I698-L701 PolarHBondContact O-N 2.98Å; D699-L701 VanDerWaalsContact C-N 3.28Å; D699-L701 PolarHBondContact O-N 3.13Å; L701-S703 VanDerWaalsContact C-N 3.32Å; L701-S703 PolarHBondContact O-N 2.96Å; L701-A704 PolarHBondContact O-N 3.36Å |
| 702 | K | 38.6 | Very low | 34.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 55% | 0.548 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.5 | -24.8 | -176.4 | -74.6 | 175.2 | -172.1 | 158.3 | 0 | 114.1 | I698 D699 A704 | I698-K702 PolarHBondContact O-N 3.22Å; D699-K702 PolarHBondContact O-N 3.02Å; D699-K702 IonicContact OD1-NZ 3.29Å; D699-K702 PolarHBondContact OD1-NZ 2.89Å; K702-A704 PolarHBondContact O-N 3.35Å; K702-A704 VanDerWaalsContact O-N 3.12Å |
| 703 | S | 35.8 | Very low | 34.3 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -2.6 | 178.8 | 35.2 | 0 | 0 | 0 | 0 | 114.9 | R700 L701 | R700-S703 PolarHBondContact O-OG 2.85Å; R700-S703 VanDerWaalsContact O-OG 3.09Å; L701-S703 VanDerWaalsContact C-N 3.32Å; L701-S703 PolarHBondContact O-N 2.96Å |
| 704 | A | 33.3 | Very low | 34 | Very low | 71 Ų | 71 | 147.6 Ų | 147.6 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L701 K702 R706 | L701-A704 PolarHBondContact O-N 3.36Å; K702-A704 PolarHBondContact O-N 3.35Å; K702-A704 VanDerWaalsContact O-N 3.12Å; A704-R706 PolarHBondContact O-N 3.01Å |
| 705 | K | 29.2 | Very low | 33.2 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -77.8 | 82.2 | 173.1 | -83.3 | -171.7 | 174.5 | -177.2 | 0 | 111.5 | ||||
| 706 | R | 33.2 | Very low | 32.4 | Very low | 244 Ų | 244 | 147.6 Ų | 147.6 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 143.7 | 163 | -87.9 | -174.9 | 175.9 | 178.2 | -0 | 111 | A704 | A704-R706 PolarHBondContact O-N 3.01Š|
| 707 | R | 28.3 | Very low | 31.5 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.9 | 178.8 | -73.4 | 177 | 175.9 | 174.8 | -2.1 | 111.1 | V709 | R707-V709 PolarHBondContact O-N 2.77Š|
| 708 | R | 27.8 | Very low | 30.9 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56 | 116.9 | 168.7 | -83.4 | -178.1 | 175.6 | 166.3 | -0.1 | 109.1 | ||
| 709 | V | 28.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -110.1 | 126.1 | 160.9 | 180 | 0 | 0 | 0 | 0 | 106.3 | R707 M711 | R707-V709 PolarHBondContact O-N 2.77Å; V709-M711 PolarHBondContact O-N 3.35Å | ||
| 710 | Q | 28.3 | Very low | 29.3 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -57.2 | 130.9 | 171 | -77.9 | 170.8 | -33.8 | 0 | 0 | 109.5 | ||||
| 711 | M | 28.1 | Very low | 28.7 | Very low | 152 Ų | 152 | 147 Ų | 147 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 175.5 | 137 | 130.2 | -97.3 | -179.5 | 87.6 | 0 | 0 | 114.4 | V709 | V709-M711 PolarHBondContact O-N 3.35Š| ||
| 712 | Q | 26.2 | Very low | 28.3 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | 58.8 | 125.1 | 146.9 | -71.1 | -178.2 | -12.4 | 0 | 0 | 121.9 | L714 | Q712-L714 PolarHBondContact O-N 2.97Š| ||
| 713 | K | 23.6 | Very low | 28.1 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 92% | 0.922 | 72% | 0.72 | S | S | * | * | trans | -46.5 | 112.6 | 169.4 | -150.4 | 175.8 | -173 | -179 | 0 | 110.1 | ||||
| 714 | L | 25.6 | Very low | 27.9 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -109 | 127.3 | 174.7 | -79.5 | 162.6 | 0 | 0 | 0 | 108.9 | Q712 F716 | Q712-L714 PolarHBondContact O-N 2.97Å; L714-F716 PolarHBondContact O-N 3.02Å | ||
| 715 | D | 22.2 | Very low | 28 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | -62.4 | 122.7 | -179.4 | -73.6 | -37.8 | 0 | 0 | 0 | 111.2 | ||||
| 716 | F | 25.2 | Very low | 28 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 54% | 0.544 | 72% | 0.724 | S | S | . | * | trans | -80.7 | 116.1 | 175.4 | -98.8 | -99.1 | 0 | 0 | 0 | 110.4 | Y504 L714 G718 | Y504-F716 AromaticContact CE1-CE2 3.75Å; Y504-F716 HydrophobicContact CE1-CE2 3.75Å; Y504-F716 AromaticContact CE1-CZ 3.93Å; Y504-F716 HydrophobicContact CE1-CZ 3.93Å; Y504-F716 AromaticContact CZ-CE2 3.72Å; Y504-F716 WeakPolarHBondContact OH-CD2 3.35Å; Y504-F716 WeakPolarHBondContact OH-CE2 3.27Å; Y504-F716 WeakPolarHBondContact OH-CZ 3.44Å; L714-F716 PolarHBondContact O-N 3.02Å; F716-G718 PolarHBondContact O-N 2.9Å | ||
| 717 | V | 24.5 | Very low | 28 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -84.1 | 103.9 | 159.7 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | V719 | V717-V719 PolarHBondContact O-N 3.22Š| ||
| 718 | G | 25.5 | Very low | 28.3 | Very low | 57 Ų | 57 | 125.5 Ų | 125.5 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -55.6 | 130 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F716 L720 | F716-G718 PolarHBondContact O-N 2.9Å; G718-L720 PolarHBondContact O-N 3.43Å | ||
| 719 | V | 27.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 74% | 0.739 | 66% | 0.661 | S | S | * | * | trans | -76.6 | 102.2 | 169.8 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | A451 V717 | A451-V719 HydrophobicContact CB-CG1 4.31Å; V717-V719 PolarHBondContact O-N 3.22Å | ||
| 720 | L | 27.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.5 | 174.3 | -77.2 | 156.8 | 0 | 0 | 0 | 110.8 | G718 Q729 | G718-L720 PolarHBondContact O-N 3.43Å; L720-Q729 VanDerWaalsContact CB-OE1 3.23Å |
| 721 | T | 28.8 | Very low | 29.5 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.3 | -175.6 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | Q729 | T721-Q729 PolarHBondContact O-NE2 3.03Š|
| 722 | A | 27.7 | Very low | 30.2 | Very low | 41 Ų | 41 | 117.7 Ų | 117.7 | 34% | 0.339 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 128.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 723 | D | 34.7 | Very low | 31 | Very low | 49 Ų | 49 | 112.2 Ų | 112.2 | 26% | 0.262 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 169.4 | 177 | 68.9 | 19.3 | 0 | 0 | 0 | 111.7 | K725 G726 R732 | D723-K725 PolarHBondContact O-N 2.74Å; D723-K725 WeakPolarHBondContact OD1-CB 3.43Å; D723-K725 PolarHBondContact OD1-N 2.82Å; D723-K725 VanDerWaalsContact OD1-N 3.14Å; D723-G726 PolarHBondContact O-N 3Å; D723-R732 IonicContact OD2-NH2 2.74Å; D723-R732 PolarHBondContact OD2-NH2 3.11Å |
| 724 | S | 30.7 | Very low | 31.9 | Very low | 129 Ų | 129 | 107.1 Ų | 107.1 | 90% | 0.902 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 0.9 | -178.6 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 725 | K | 35.3 | Very low | 32.9 | Very low | 176 Ų | 176 | 106.5 Ų | 106.5 | 77% | 0.765 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 4.1 | 175.7 | -64 | -175 | 177.6 | -178.8 | 0 | 113.6 | D723 L727 | D723-K725 PolarHBondContact O-N 2.74Å; D723-K725 WeakPolarHBondContact OD1-CB 3.43Å; D723-K725 PolarHBondContact OD1-N 2.82Å; D723-K725 VanDerWaalsContact OD1-N 3.14Å; K725-L727 PolarHBondContact O-N 2.88Å |
| 726 | G | 30.6 | Very low | 34.2 | Very low | 56 Ų | 56 | 103.2 Ų | 103.2 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | trans | 69.8 | 11.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D723 C728 | D723-G726 PolarHBondContact O-N 3Å; G726-C728 PolarHBondContact O-N 3.29Å | ||
| 727 | L | 31.4 | Very low | 35.2 | Very low | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | trans | -81.7 | 113.2 | 169.1 | -112.7 | 95.5 | 0 | 0 | 0 | 108.9 | K725 Q729 | K725-L727 PolarHBondContact O-N 2.88Å; L727-Q729 PolarHBondContact O-N 2.94Å | ||
| 728 | C | 35.4 | Very low | 36.3 | Very low | 65 Ų | 65 | 105 Ų | 105 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | trans | -56.5 | 126.6 | 163.8 | -82.7 | 0 | 0 | 0 | 0 | 108.9 | G726 L730 Y731 | G726-C728 PolarHBondContact O-N 3.29Å; C728-L730 HydrophobicContact CB-CB 4.45Å; C728-L730 PolarHBondContact O-N 3.36Å; C728-Y731 WeakPolarHBondContact O-CB 3.44Å; C728-Y731 PolarHBondContact O-N 2.84Å | ||
| 729 | Q | 38.2 | Very low | 37.4 | Very low | 81 Ų | 81 | 109.5 Ų | 109.5 | 38% | 0.379 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -55.6 | -20.3 | 176.9 | -67.3 | -169.5 | 9.8 | 0 | 0 | 113.2 | L720 T721 L727 Y731 R732 G733 | L720-Q729 VanDerWaalsContact CB-OE1 3.23Å; T721-Q729 PolarHBondContact O-NE2 3.03Å; L727-Q729 PolarHBondContact O-N 2.94Å; Q729-Y731 PolarHBondContact O-N 2.63Å; Q729-R732 PolarHBondContact O-N 3.08Å; Q729-G733 PolarHBondContact O-N 3.48Å |
| 730 | L | 36.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -54.3 | -36 | 171.3 | -136.1 | 106.5 | 0 | 0 | 0 | 112.6 | C728 L734 | C728-L730 HydrophobicContact CB-CB 4.45Å; C728-L730 PolarHBondContact O-N 3.36Å; L730-L734 WeakPolarHBondContact O-CG 3.27Å; L730-L734 PolarHBondContact O-N 3.03Å; L730-L734 VanDerWaalsContact O-N 3.13Å |
| 731 | Y | 35.6 | Very low | 39.3 | Very low | 160 Ų | 160 | 108.4 Ų | 108.4 | 63% | 0.627 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.4 | -28.6 | 178.6 | -125.6 | -85.1 | 0 | 0 | 0 | 112.8 | C728 Q729 K735 | C728-Y731 WeakPolarHBondContact O-CB 3.44Å; C728-Y731 PolarHBondContact O-N 2.84Å; Q729-Y731 PolarHBondContact O-N 2.63Å; Y731-K735 WeakPolarHBondContact O-CB 3.48Å; Y731-K735 PolarHBondContact O-N 3.07Å |
| 732 | R | 42.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 50% | 0.498 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.7 | -43.4 | 174.5 | -132.1 | -177 | -82.7 | -175.8 | 1.1 | 110.2 | D723 Q729 L734 K735 D736 | D723-R732 IonicContact OD2-NH2 2.74Å; D723-R732 PolarHBondContact OD2-NH2 3.11Å; Q729-R732 PolarHBondContact O-N 3.08Å; R732-L734 VanDerWaalsContact C-N 3.34Å; R732-L734 PolarHBondContact O-N 2.87Å; R732-K735 PolarHBondContact O-N 3.42Å; R732-D736 WeakPolarHBondContact O-CB 3.35Å; R732-D736 VanDerWaalsContact O-CG 3.27Å; R732-D736 PolarHBondContact O-N 2.86Å |
| 733 | G | 43.2 | Very low | 40.3 | Very low | 42 Ų | 42 | 113.1 Ų | 113.1 | 43% | 0.433 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.4 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q729 K737 | Q729-G733 PolarHBondContact O-N 3.48Å; G733-K737 PolarHBondContact O-N 3.29Å |
| 734 | L | 41.2 | Very low | 40.6 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.3 | -42 | 173.5 | -77 | 166.6 | 0 | 0 | 0 | 112.1 | L730 R732 D736 K737 E738 | L730-L734 WeakPolarHBondContact O-CG 3.27Å; L730-L734 PolarHBondContact O-N 3.03Å; L730-L734 VanDerWaalsContact O-N 3.13Å; R732-L734 VanDerWaalsContact C-N 3.34Å; R732-L734 PolarHBondContact O-N 2.87Å; L734-D736 PolarHBondContact O-N 3.36Å; L734-K737 PolarHBondContact O-N 3Å; L734-E738 PolarHBondContact O-N 3.17Å; L734-E738 VanDerWaalsContact O-N 3.17Å |
| 735 | K | 46.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.1 | -31.8 | 179.6 | -160.5 | 174.3 | -174.1 | 173.4 | 0 | 113.2 | Y731 R732 K739 | Y731-K735 WeakPolarHBondContact O-CB 3.48Å; Y731-K735 PolarHBondContact O-N 3.07Å; R732-K735 PolarHBondContact O-N 3.42Å; K735-K739 PolarHBondContact O-N 2.98Å |
| 736 | D | 49.8 | Very low | 41.4 | Very low | 93 Ų | 93 | 112.2 Ų | 112.2 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.3 | -28.4 | 176.2 | -66.9 | -25.2 | 0 | 0 | 0 | 111.7 | R732 L734 K739 S740 | R732-D736 WeakPolarHBondContact O-CB 3.35Å; R732-D736 VanDerWaalsContact O-CG 3.27Å; R732-D736 PolarHBondContact O-N 2.86Å; L734-D736 PolarHBondContact O-N 3.36Å; D736-K739 PolarHBondContact O-N 3.43Å; D736-S740 PolarHBondContact O-N 2.73Å |
| 737 | K | 47.1 | Very low | 42.1 | Very low | 150 Ų | 150 | 115.8 Ų | 115.8 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.6 | -33.6 | 170.9 | -96.3 | -173.8 | 174.5 | -177.3 | 0 | 113.8 | G733 L734 K739 S740 N741 | G733-K737 PolarHBondContact O-N 3.29Å; L734-K737 PolarHBondContact O-N 3Å; K737-K739 VanDerWaalsContact C-N 3.29Å; K737-S740 WeakPolarHBondContact CA-OG 3.15Å; K737-S740 PolarHBondContact O-N 2.77Å; K737-S740 PolarHBondContact O-OG 2.88Å; K737-N741 PolarHBondContact O-N 3.43Å |
| 738 | E | 47.8 | Very low | 42.8 | Very low | 147 Ų | 147 | 117.5 Ų | 117.5 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.2 | -32.4 | 172.7 | -77.8 | 179.2 | 159.3 | 0 | 0 | 112 | L734 | L734-E738 PolarHBondContact O-N 3.17Å; L734-E738 VanDerWaalsContact O-N 3.17Å |
| 739 | K | 47.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.9 | -17.9 | 175.2 | -78.8 | -174.3 | 174.3 | -174.2 | 0 | 114.9 | K735 D736 K737 | K735-K739 PolarHBondContact O-N 2.98Å; D736-K739 PolarHBondContact O-N 3.43Å; K737-K739 VanDerWaalsContact C-N 3.29Å |
| 740 | S | 50.8 | Low | 43.8 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88.9 | -10.9 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | D736 K737 | D736-S740 PolarHBondContact O-N 2.73Å; K737-S740 WeakPolarHBondContact CA-OG 3.15Å; K737-S740 PolarHBondContact O-N 2.77Å; K737-S740 PolarHBondContact O-OG 2.88Å |
| 741 | N | 42.9 | Very low | 44.4 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | trans | -108.4 | 9 | 178.9 | -74.4 | -6.5 | 0 | 0 | 0 | 113.2 | K737 | K737-N741 PolarHBondContact O-N 3.43Š| ||
| 742 | A | 37.3 | Very low | 45.2 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 100% | 1.149 | 64% | 0.64 | S | S | * | * | trans | -121.9 | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 742 of 742 residues in 388 ms
(Link to these results)