| 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 | 30.7 | Very low | 60.2 | Low | 248 Ų | 248 | 74.3 Ų | 74.3 | 100% | 1.222 | 43% | 0.431 | S | S | * | . | 0 | 84.1 | 0 | -81.1 | 173.8 | 159.3 | 0 | 0 | 105.9 | S3 | M1-S3 PolarHBondContact O-N 3.38Š| |||
| 2 | A | 34.2 | Very low | 62.6 | Low | 92 Ų | 92 | 68.1 Ų | 68.1 | 76% | 0.76 | 40% | 0.395 | S | S | * | . | trans | -69.3 | 123.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | S | 38.9 | Very low | 64.7 | Low | 66 Ų | 66 | 62.8 Ų | 62.8 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | trans | -59.9 | 143.9 | 172.7 | 22.6 | 0 | 0 | 0 | 0 | 109.2 | M1 E5 D6 | M1-S3 PolarHBondContact O-N 3.38Å; S3-E5 PolarHBondContact O-N 3.22Å; S3-D6 PolarHBondContact O-N 3.4Å | ||
| 4 | A | 49.4 | Very low | 66.5 | Low | 83 Ų | 83 | 58.4 Ų | 58.4 | 69% | 0.686 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 3.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 5 | E | 49.8 | Very low | 68 | Low | 159 Ų | 159 | 54.6 Ų | 54.6 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14.1 | 174.8 | -60.5 | -170.8 | 149.9 | 0 | 0 | 113 | S3 | S3-E5 PolarHBondContact O-N 3.22Š|
| 6 | D | 55.7 | Low | 69.2 | Low | 65 Ų | 65 | 51.7 Ų | 51.7 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -99.4 | 1.2 | 178.7 | -74 | -41.8 | 0 | 0 | 0 | 114 | S3 Q148 | S3-D6 PolarHBondContact O-N 3.4Å; D6-Q148 HydrophobicContact CB-CG 4.47Å |
| 7 | E | 70.5 | Confident | 70 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.4 | 174.8 | -68.1 | -167.6 | 168 | 0 | 0 | 110.8 | T54 K151 | E7-T54 PolarHBondContact O-OG1 3.43Å; E7-K151 VanDerWaalsContact CD-NZ 3.29Å; E7-K151 IonicContact OE1-NZ 2.77Å; E7-K151 PolarHBondContact OE1-NZ 2.77Å; E7-K151 IonicContact OE2-NZ 3.96Å; E7-K151 PolarHBondContact OE2-NZ 3.15Å |
| 8 | L | 77.8 | Confident | 70.6 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.9 | 174.9 | -165.5 | 146.1 | 0 | 0 | 0 | 109.9 | L10 R56 L144 E149 M150 K151 | L8-L10 HydrophobicContact CD2-CB 4.32Å; L8-R56 HydrophobicContact CD2-CG 4.43Å; L8-L144 HydrophobicContact CD1-CD1 4.36Å; L8-L144 HydrophobicContact CD1-CD2 3.74Å; L8-E149 PolarHBondContact N-O 2.72Å; L8-E149 VanDerWaalsContact N-O 3.09Å; L8-M150 HydrophobicContact CD2-CE 4.11Å; L8-M150 HydrophobicContact CD2-CG 4.04Å; L8-M150 CarbonylContact O-C 3.43Å; L8-M150 WeakPolarHBondContact O-CA 3.37Å; L8-K151 PolarHBondContact O-N 3.04Å |
| 9 | N | 81.9 | Confident | 70.9 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.9 | 174.5 | -52.2 | -58.6 | 0 | 0 | 0 | 110.2 | N55 R56 K151 | N9-N55 WeakPolarHBondContact CB-OD1 3.37Å; N9-N55 PolarHBondContact ND2-OD1 2.89Å; N9-N55 VanDerWaalsContact ND2-OD1 3.14Å; N9-N55 CarbonylContact O-C 3.46Å; N9-N55 WeakPolarHBondContact O-CA 3.47Å; N9-R56 PolarHBondContact O-N 3.5Å; N9-K151 CarbonylContact C-O 3.51Å; N9-K151 WeakPolarHBondContact CA-O 3.46Å; N9-K151 WeakPolarHBondContact OD1-CB 3.26Å |
| 10 | L | 85.9 | Confident | 71.2 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.4 | 171.8 | 176.6 | 64 | 0 | 0 | 0 | 109.7 | L8 V12 R56 Y136 I137 M150 K151 S152 R153 | L8-L10 HydrophobicContact CD2-CB 4.32Å; L10-V12 HydrophobicContact CD2-CG2 4.19Å; L10-V12 HydrophobicContact CG-CG2 4.12Å; L10-R56 WeakPolarHBondContact CA-O 3.5Å; L10-R56 HydrophobicContact CD1-CB 3.65Å; L10-Y136 HydrophobicContact CD1-CE1 4.18Å; L10-Y136 HydrophobicContact CD2-CD1 4.18Å; L10-Y136 HydrophobicContact CD2-CE1 3.98Å; L10-I137 HydrophobicContact CD2-CB 4.43Å; L10-I137 HydrophobicContact CD2-CG1 3.76Å; L10-M150 HydrophobicContact CB-CE 3.35Å; L10-M150 HydrophobicContact CD2-CE 3.18Å; L10-M150 HydrophobicContact CG-CE 3.86Å; L10-K151 PolarHBondContact N-O 3.43Å; L10-S152 WeakPolarHBondContact O-CA 3.4Å; L10-R153 PolarHBondContact O-N 2.82Å |
| 11 | L | 86.9 | Confident | 71.5 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.7 | 169.2 | -178.5 | 63.6 | 0 | 0 | 0 | 109.4 | I13 M44 H48 R56 L57 A58 R153 L155 | L11-I13 HydrophobicContact CD2-CD1 4.17Å; L11-I13 HydrophobicContact CD2-CG1 4.14Å; L11-I13 HydrophobicContact CG-CG1 4.03Å; L11-M44 HydrophobicContact CD2-SD 4.05Å; L11-H48 VanDerWaalsContact CB-CE1 3.49Å; L11-H48 WeakPolarHBondContact CB-CE1 3.32Å; L11-H48 HydrophobicContact CD2-CB 4.1Å; L11-R56 PolarHBondContact N-O 2.94Å; L11-L57 HydrophobicContact CB-CD1 4.22Å; L11-L57 HydrophobicContact CD2-CD1 4.12Å; L11-L57 HydrophobicContact CG-CD1 4.21Å; L11-L57 CarbonylContact O-C 3.57Å; L11-L57 WeakPolarHBondContact O-CA 3.45Å; L11-A58 PolarHBondContact O-N 3.27Å; L11-R153 HydrophobicContact CD1-CB 4.19Å; L11-R153 HydrophobicContact CD1-CG 4.19Å; L11-L155 HydrophobicContact CD1-CB 4.44Å |
| 12 | V | 89.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.5 | 170.1 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | L10 A58 I60 A133 I137 R153 I154 L155 | L10-V12 HydrophobicContact CD2-CG2 4.19Å; L10-V12 HydrophobicContact CG-CG2 4.12Å; V12-A58 CarbonylContact C-O 3.54Å; V12-A58 VanDerWaalsContact CA-O 3.31Å; V12-A58 WeakPolarHBondContact CA-O 3.5Å; V12-A58 HydrophobicContact CG1-CB 4.18Å; V12-A58 HydrophobicContact CG2-CB 4.26Å; V12-I60 HydrophobicContact CG1-CD1 3.95Å; V12-I60 HydrophobicContact CG1-CG1 4.33Å; V12-A133 HydrophobicContact CG1-CB 3.79Å; V12-I137 HydrophobicContact CG2-CD1 3.84Å; V12-I137 HydrophobicContact CG2-CG1 3.84Å; V12-R153 PolarHBondContact N-O 2.47Å; V12-I154 HydrophobicContact CB-CG1 4.29Å; V12-I154 CarbonylContact O-C 3.58Å; V12-I154 VanDerWaalsContact O-CA 3.3Å; V12-I154 WeakPolarHBondContact O-CA 3.49Å; V12-L155 PolarHBondContact O-N 2.95Å |
| 13 | I | 89.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122 | 175.7 | -53.2 | 179.2 | 0 | 0 | 0 | 108.4 | L11 V15 V41 M44 L57 A58 V59 I60 L155 I157 | L11-I13 HydrophobicContact CD2-CD1 4.17Å; L11-I13 HydrophobicContact CD2-CG1 4.14Å; L11-I13 HydrophobicContact CG-CG1 4.03Å; I13-V15 HydrophobicContact CG2-CG2 3.81Å; I13-V41 HydrophobicContact CD1-CG1 4.12Å; I13-V41 HydrophobicContact CG2-CG1 3.91Å; I13-M44 HydrophobicContact CD1-CE 3.7Å; I13-M44 HydrophobicContact CD1-SD 4Å; I13-M44 HydrophobicContact CG1-CE 4.4Å; I13-L57 HydrophobicContact CD1-CD1 3.77Å; I13-L57 HydrophobicContact CG1-CD1 4Å; I13-A58 PolarHBondContact N-O 3.44Å; I13-V59 CarbonylContact O-C 3.53Å; I13-V59 WeakPolarHBondContact O-CA 3.4Å; I13-I60 PolarHBondContact O-N 2.77Å; I13-L155 CarbonylContact C-O 3.59Å; I13-L155 WeakPolarHBondContact CA-O 3.31Å; I13-L155 HydrophobicContact CG2-CD2 4.5Å; I13-I157 HydrophobicContact CG2-CD1 4.2Å |
| 14 | V | 90.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.9 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | I60 L126 L130 I154 L155 V156 I157 | V14-I60 CarbonylContact C-O 3.58Å; V14-I60 WeakPolarHBondContact CA-O 3.36Å; V14-I60 HydrophobicContact CG2-CB 4.42Å; V14-L126 HydrophobicContact CG1-CD1 3.99Å; V14-L130 HydrophobicContact CG2-CD2 4.32Å; V14-I154 HydrophobicContact CG2-CG2 4.26Å; V14-L155 PolarHBondContact N-O 3.49Å; V14-V156 HydrophobicContact CB-CG2 4.45Å; V14-I157 PolarHBondContact O-N 3.26Å |
| 15 | V | 88.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.3 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | I13 V17 L38 V41 V59 I60 A61 S62 | I13-V15 HydrophobicContact CG2-CG2 3.81Å; V15-V17 HydrophobicContact CB-CG2 4.49Å; V15-V17 HydrophobicContact CG1-CG2 4.2Å; V15-V17 PolarHBondContact O-N 2.83Å; V15-L38 HydrophobicContact CG1-CD2 4.21Å; V15-V41 HydrophobicContact CG2-CG1 4.03Å; V15-V41 HydrophobicContact CG2-CG2 4.44Å; V15-V59 HydrophobicContact CG2-CG1 4.35Å; V15-I60 PolarHBondContact N-O 2.83Å; V15-A61 WeakPolarHBondContact O-CA 3.44Å; V15-S62 PolarHBondContact O-N 2.89Å |
| 16 | D | 86.9 | Confident | 79.5 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114 | 171.5 | -172.7 | 3.3 | 0 | 0 | 0 | 111.1 | N18 W22 T124 I157 A159 A160 | D16-N18 PolarHBondContact OD1-N 3.28Å; D16-W22 PolarHBondContact O-NE1 2.91Å; D16-W22 VanDerWaalsContact O-NE1 3.1Å; D16-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D16-I157 VanDerWaalsContact CB-O 3.27Å; D16-I157 WeakPolarHBondContact CB-O 3.1Å; D16-I157 PolarHBondContact N-O 2.73Å; D16-A159 HydrophobicContact CB-CB 4.09Å; D16-A159 PolarHBondContact OD2-N 3.12Å; D16-A160 PolarHBondContact OD2-N 2.85Å |
| 17 | V | 82.9 | Confident | 80.1 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | trans | -112.2 | 46.3 | -177.7 | -159.4 | 0 | 0 | 0 | 0 | 110 | V15 P19 L34 A61 S62 M112 | V15-V17 HydrophobicContact CB-CG2 4.49Å; V15-V17 HydrophobicContact CG1-CG2 4.2Å; V15-V17 PolarHBondContact O-N 2.83Å; V17-P19 WeakPolarHBondContact O-CD 3.45Å; V17-L34 HydrophobicContact CG1-CD1 4.14Å; V17-L34 HydrophobicContact CG1-CD2 3.72Å; V17-A61 HydrophobicContact CG2-CB 3.75Å; V17-S62 PolarHBondContact N-O 2.83Å; V17-M112 HydrophobicContact CG1-CE 3.48Å; V17-M112 VanDerWaalsContact CG1-CE 3.48Å | ||
| 18 | N | 82 | Confident | 80 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | trans | -68.1 | 109.8 | 177.2 | -171 | -15.4 | 0 | 0 | 0 | 111.9 | D16 I20 W21 W22 T122 T124 A160 | D16-N18 PolarHBondContact OD1-N 3.28Å; N18-I20 PolarHBondContact O-N 3.25Å; N18-I20 PolarHBondContact OD1-N 3.41Å; N18-I20 VanDerWaalsContact OD1-N 3.13Å; N18-W21 HydrophobicContact CB-CB 4.18Å; N18-W21 PolarHBondContact O-N 3.44Å; N18-W22 WeakPolarHBondContact O-CB 3.19Å; N18-W22 PolarHBondContact O-N 3.39Å; N18-T122 PolarHBondContact ND2-O 2.71Å; N18-T124 HydrophobicContact CB-CG2 3.83Å; N18-A160 HydrophobicContact CB-CB 4.2Å; N18-A160 WeakPolarHBondContact ND2-CB 3.18Å | ||
| 19 | P | 75.7 | Confident | 79.4 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 20% | 0.195 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -27.9 | -175.2 | 28.2 | -36.1 | 0 | 0 | 0 | 112.6 | V17 G23 T115 | V17-P19 WeakPolarHBondContact O-CD 3.45Å; P19-G23 PolarHBondContact O-N 3.18Å; P19-T115 HydrophobicContact CG-CG2 4.09Å |
| 20 | I | 77.1 | Confident | 78.5 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.6 | -47.3 | -178.8 | -58.2 | 171.3 | 0 | 0 | 0 | 109.9 | N18 G23 Q24 T122 | N18-I20 PolarHBondContact O-N 3.25Å; N18-I20 PolarHBondContact OD1-N 3.41Å; N18-I20 VanDerWaalsContact OD1-N 3.13Å; I20-G23 PolarHBondContact O-N 2.77Å; I20-Q24 WeakPolarHBondContact O-CG 3.41Å; I20-Q24 PolarHBondContact O-N 2.98Å; I20-T122 HydrophobicContact CD1-CG2 3.88Å |
| 21 | W | 77.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -45 | 177.6 | -172.7 | 89.8 | 0 | 0 | 0 | 110.9 | N18 G23 Q24 Q25 A159 A160 L189 D190 | N18-W21 HydrophobicContact CB-CB 4.18Å; N18-W21 PolarHBondContact O-N 3.44Å; W21-G23 VanDerWaalsContact C-N 3.3Å; W21-G23 PolarHBondContact O-N 3.19Å; W21-Q24 PolarHBondContact O-N 3.06Å; W21-Q25 HydrophobicContact CE3-CB 4.24Å; W21-Q25 HydrophobicContact CH2-CB 4.29Å; W21-Q25 HydrophobicContact CH2-CG 3.96Å; W21-Q25 HydrophobicContact CZ2-CG 4.47Å; W21-Q25 HydrophobicContact CZ3-CB 4.12Å; W21-Q25 HydrophobicContact CZ3-CG 4.06Å; W21-Q25 VanDerWaalsContact O-CB 3.25Å; W21-Q25 WeakPolarHBondContact O-CB 3.36Å; W21-Q25 PolarHBondContact O-N 3.31Å; W21-A159 HydrophobicContact CD2-CB 4.02Å; W21-A159 VanDerWaalsContact CE2-O 3.25Å; W21-A159 HydrophobicContact CE3-CB 3.62Å; W21-A159 HydrophobicContact CH2-CB 4.27Å; W21-A159 HydrophobicContact CZ3-CB 3.74Å; W21-A159 PolarHBondContact NE1-O 3.49Å; W21-A160 HydrophobicContact CB-CB 4.36Å; W21-L189 HydrophobicContact CH2-CB 4.01Å; W21-L189 HydrophobicContact CH2-CD1 3.77Å; W21-L189 HydrophobicContact CZ2-CB 4.33Å; W21-L189 HydrophobicContact CZ3-CD1 3.94Å; W21-D190 HydrophobicContact CZ2-CB 3.88Å |
| 22 | W | 77.7 | Confident | 76.5 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 8% | 0.076 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 176.8 | -74.7 | 115 | 0 | 0 | 0 | 112.9 | D16 N18 G26 F32 L34 C37 A159 L189 | D16-W22 PolarHBondContact O-NE1 2.91Å; D16-W22 VanDerWaalsContact O-NE1 3.1Å; N18-W22 WeakPolarHBondContact O-CB 3.19Å; N18-W22 PolarHBondContact O-N 3.39Å; W22-G26 PolarHBondContact O-N 3.36Å; W22-F32 HydrophobicContact CH2-CD1 4.32Å; W22-F32 AromaticContact CH2-CE1 3.45Å; W22-F32 HydrophobicContact CH2-CE1 3.45Å; W22-F32 VanDerWaalsContact CH2-CE1 3.45Å; W22-F32 AromaticContact CH2-CZ 3.93Å; W22-F32 HydrophobicContact CH2-CZ 3.93Å; W22-F32 AromaticContact CZ3-CD1 3.85Å; W22-F32 HydrophobicContact CZ3-CD1 3.85Å; W22-F32 AromaticContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CE1 3.44Å; W22-F32 VanDerWaalsContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CZ 4.23Å; W22-L34 HydrophobicContact CD2-CB 3.76Å; W22-L34 HydrophobicContact CD2-CD1 4Å; W22-L34 HydrophobicContact CD2-CG 4.38Å; W22-L34 HydrophobicContact CE3-CB 3.81Å; W22-L34 HydrophobicContact CG-CB 4.07Å; W22-L34 HydrophobicContact CG-CD1 4.32Å; W22-L34 HydrophobicContact CG-CD2 4.47Å; W22-L34 HydrophobicContact CH2-CD1 4.49Å; W22-L34 HydrophobicContact CZ2-CD1 3.85Å; W22-L34 HydrophobicContact CZ3-CB 4.28Å; W22-C37 HydrophobicContact CH2-CB 3.54Å; W22-C37 HydrophobicContact CZ2-CB 4.16Å; W22-C37 HydrophobicContact CZ3-CB 4.33Å; W22-A159 HydrophobicContact CZ2-CB 4.36Å; W22-L189 HydrophobicContact CH2-CD1 3.98Å; W22-L189 HydrophobicContact CZ2-CD1 4.07Å |
| 23 | G | 76.4 | Confident | 75.9 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P19 I20 W21 G26 Q27 | P19-G23 PolarHBondContact O-N 3.18Å; I20-G23 PolarHBondContact O-N 2.77Å; W21-G23 VanDerWaalsContact C-N 3.3Å; W21-G23 PolarHBondContact O-N 3.19Å; G23-G26 PolarHBondContact O-N 2.96Å; G23-Q27 PolarHBondContact O-N 3.01Å |
| 24 | Q | 75.9 | Confident | 75.3 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 175.6 | -71 | 178.4 | 11.8 | 0 | 0 | 112 | I20 W21 G26 Q27 R28 | I20-Q24 WeakPolarHBondContact O-CG 3.41Å; I20-Q24 PolarHBondContact O-N 2.98Å; W21-Q24 PolarHBondContact O-N 3.06Å; Q24-G26 VanDerWaalsContact C-N 3.35Å; Q24-Q27 PolarHBondContact O-N 3.44Å; Q24-R28 WeakPolarHBondContact O-CG 3.47Å; Q24-R28 PolarHBondContact O-N 2.77Å; Q24-R28 VanDerWaalsContact O-N 3.11Å |
| 25 | Q | 72.3 | Confident | 74.8 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 177.1 | -178.4 | 62.3 | 22.3 | 0 | 0 | 111.1 | W21 Q27 R28 E29 F32 | W21-Q25 HydrophobicContact CE3-CB 4.24Å; W21-Q25 HydrophobicContact CH2-CB 4.29Å; W21-Q25 HydrophobicContact CH2-CG 3.96Å; W21-Q25 HydrophobicContact CZ2-CG 4.47Å; W21-Q25 HydrophobicContact CZ3-CB 4.12Å; W21-Q25 HydrophobicContact CZ3-CG 4.06Å; W21-Q25 VanDerWaalsContact O-CB 3.25Å; W21-Q25 WeakPolarHBondContact O-CB 3.36Å; W21-Q25 PolarHBondContact O-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.07Å; Q25-R28 PolarHBondContact O-N 3.06Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; Q25-E29 PolarHBondContact NE2-OE2 3.43Å; Q25-E29 PolarHBondContact O-N 3.09Å; Q25-F32 HydrophobicContact CG-CD1 4.37Å |
| 26 | G | 67.8 | Low | 74.4 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -24.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W22 G23 Q24 | W22-G26 PolarHBondContact O-N 3.36Å; G23-G26 PolarHBondContact O-N 2.96Å; Q24-G26 VanDerWaalsContact C-N 3.35Å |
| 27 | Q | 68.6 | Low | 74 | Confident | 171 Ų | 171 | 59.8 Ų | 59.8 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -82 | -33.2 | 172.5 | -69.7 | -179.1 | -3.8 | 0 | 0 | 113.1 | G23 Q24 Q25 | G23-Q27 PolarHBondContact O-N 3.01Å; Q24-Q27 PolarHBondContact O-N 3.44Å; Q25-Q27 PolarHBondContact O-N 3.07Å |
| 28 | R | 68.4 | Low | 73.9 | Confident | 179 Ų | 179 | 60.5 Ų | 60.5 | 68% | 0.675 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -80.5 | -43.9 | -178.4 | -71 | -179.7 | 178.8 | 179.6 | 1.9 | 112.5 | Q24 Q25 | Q24-R28 WeakPolarHBondContact O-CG 3.47Å; Q24-R28 PolarHBondContact O-N 2.77Å; Q24-R28 VanDerWaalsContact O-N 3.11Å; Q25-R28 PolarHBondContact O-N 3.06Å; Q25-R28 VanDerWaalsContact O-N 3.11Å |
| 29 | E | 66.1 | Low | 73.9 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | trans | -137.4 | 96.8 | -177.5 | -71.2 | -179.5 | 163.8 | 0 | 0 | 109.8 | Q25 E31 F32 K213 | Q25-E29 PolarHBondContact NE2-OE2 3.43Å; Q25-E29 PolarHBondContact O-N 3.09Å; E29-E31 PolarHBondContact O-N 2.99Å; E29-E31 VanDerWaalsContact O-N 3.15Å; E29-F32 PolarHBondContact O-N 3.12Å; E29-K213 WeakPolarHBondContact OE2-CD 3.18Å | ||
| 30 | P | 62 | Low | 74.1 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 66% | 0.662 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15 | -179.4 | 28 | -34.7 | 0 | 0 | 0 | 112.9 | F32 | P30-F32 VanDerWaalsContact C-N 3.35Š|
| 31 | E | 62.1 | Low | 74.4 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.4 | 179.1 | -67.9 | -168.8 | 159.5 | 0 | 0 | 113.5 | E29 K36 V214 | E29-E31 PolarHBondContact O-N 2.99Å; E29-E31 VanDerWaalsContact O-N 3.15Å; E31-K36 VanDerWaalsContact O-CD 3.26Å; E31-K36 WeakPolarHBondContact O-CD 3.34Å; E31-K36 WeakPolarHBondContact O-CE 3.39Å; E31-K36 PolarHBondContact O-NZ 3.24Å; E31-V214 HydrophobicContact CB-CG2 4.47Å |
| 32 | F | 68.6 | Low | 74.6 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | -116.7 | 95.8 | -177.1 | -172.7 | -105.3 | 0 | 0 | 0 | 111.6 | W22 Q25 E29 P30 C37 L189 K213 L216 | W22-F32 HydrophobicContact CH2-CD1 4.32Å; W22-F32 AromaticContact CH2-CE1 3.45Å; W22-F32 HydrophobicContact CH2-CE1 3.45Å; W22-F32 VanDerWaalsContact CH2-CE1 3.45Å; W22-F32 AromaticContact CH2-CZ 3.93Å; W22-F32 HydrophobicContact CH2-CZ 3.93Å; W22-F32 AromaticContact CZ3-CD1 3.85Å; W22-F32 HydrophobicContact CZ3-CD1 3.85Å; W22-F32 AromaticContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CE1 3.44Å; W22-F32 VanDerWaalsContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CZ 4.23Å; Q25-F32 HydrophobicContact CG-CD1 4.37Å; E29-F32 PolarHBondContact O-N 3.12Å; P30-F32 VanDerWaalsContact C-N 3.35Å; F32-C37 HydrophobicContact CE2-CB 4.25Å; F32-C37 HydrophobicContact CZ-CB 3.78Å; F32-L189 HydrophobicContact CE1-CD1 4.26Å; F32-L189 HydrophobicContact CZ-CD2 4.45Å; F32-K213 HydrophobicContact CB-CB 4.26Å; F32-K213 HydrophobicContact CD1-CB 3.98Å; F32-K213 HydrophobicContact CD1-CD 4.4Å; F32-K213 HydrophobicContact CD2-CB 4.14Å; F32-K213 WeakPolarHBondContact CD2-O 3.45Å; F32-K213 HydrophobicContact CE1-CB 4.35Å; F32-K213 VanDerWaalsContact CE2-O 3.27Å; F32-K213 WeakPolarHBondContact CE2-O 3.36Å; F32-K213 HydrophobicContact CG-CB 3.86Å; F32-L216 HydrophobicContact CE2-CB 3.87Å; F32-L216 HydrophobicContact CE2-CD1 4.11Å; F32-L216 HydrophobicContact CE2-CD2 4.07Å; F32-L216 HydrophobicContact CE2-CG 4.26Å; F32-L216 HydrophobicContact CZ-CB 4.45Å; F32-L216 HydrophobicContact CZ-CD1 3.86Å; F32-L216 HydrophobicContact CZ-CD2 4.1Å; F32-L216 HydrophobicContact CZ-CG 4.38Å | ||
| 33 | T | 77.1 | Confident | 74.8 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | trans | -100.7 | 155.2 | 178.4 | -42.5 | 0 | 0 | 0 | 0 | 111 | C35 K36 C37 | T33-C35 PolarHBondContact O-N 3.18Å; T33-C35 VanDerWaalsContact O-N 3.17Å; T33-K36 PolarHBondContact O-N 3.01Å; T33-C37 PolarHBondContact O-N 3.32Å; T33-C37 VanDerWaalsContact O-N 3.15Å | ||
| 34 | L | 77.9 | Confident | 75 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -47.3 | -42.2 | 170.3 | 174 | 60.6 | 0 | 0 | 0 | 112.2 | V17 W22 K36 C37 L38 M112 | V17-L34 HydrophobicContact CG1-CD1 4.14Å; V17-L34 HydrophobicContact CG1-CD2 3.72Å; W22-L34 HydrophobicContact CD2-CB 3.76Å; W22-L34 HydrophobicContact CD2-CD1 4Å; W22-L34 HydrophobicContact CD2-CG 4.38Å; W22-L34 HydrophobicContact CE3-CB 3.81Å; W22-L34 HydrophobicContact CG-CB 4.07Å; W22-L34 HydrophobicContact CG-CD1 4.32Å; W22-L34 HydrophobicContact CG-CD2 4.47Å; W22-L34 HydrophobicContact CH2-CD1 4.49Å; W22-L34 HydrophobicContact CZ2-CD1 3.85Å; W22-L34 HydrophobicContact CZ3-CB 4.28Å; L34-K36 PolarHBondContact O-N 2.85Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CD1-CD1 3.79Å; L34-L38 HydrophobicContact CD1-CD2 4.42Å; L34-L38 HydrophobicContact CD1-CG 3.88Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.7Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.39Å; L34-M112 HydrophobicContact CD2-SD 4.2Å |
| 35 | C | 79.6 | Confident | 75.2 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | T33 C37 L38 D39 | T33-C35 PolarHBondContact O-N 3.18Å; T33-C35 VanDerWaalsContact O-N 3.17Å; C35-C37 VanDerWaalsContact C-N 3.33Å; C35-C37 PolarHBondContact O-N 3.35Å; C35-L38 PolarHBondContact O-N 2.94Å; C35-D39 WeakPolarHBondContact O-CB 3.32Å; C35-D39 PolarHBondContact O-N 2.71Å |
| 36 | K | 79.1 | Confident | 75.6 | Confident | 113 Ų | 113 | 58.1 Ų | 58.1 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 178.3 | -66.9 | -174.6 | -179 | 178.9 | 0 | 112.5 | E31 T33 L34 A40 | E31-K36 VanDerWaalsContact O-CD 3.26Å; E31-K36 WeakPolarHBondContact O-CD 3.34Å; E31-K36 WeakPolarHBondContact O-CE 3.39Å; E31-K36 PolarHBondContact O-NZ 3.24Å; T33-K36 PolarHBondContact O-N 3.01Å; L34-K36 PolarHBondContact O-N 2.85Å; K36-A40 PolarHBondContact O-N 2.85Å |
| 37 | C | 78.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | W22 F32 T33 L34 C35 D39 A40 V41 L216 | W22-C37 HydrophobicContact CH2-CB 3.54Å; W22-C37 HydrophobicContact CZ2-CB 4.16Å; W22-C37 HydrophobicContact CZ3-CB 4.33Å; F32-C37 HydrophobicContact CE2-CB 4.25Å; F32-C37 HydrophobicContact CZ-CB 3.78Å; T33-C37 PolarHBondContact O-N 3.32Å; T33-C37 VanDerWaalsContact O-N 3.15Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.33Å; C35-C37 VanDerWaalsContact C-N 3.33Å; C35-C37 PolarHBondContact O-N 3.35Å; C37-D39 PolarHBondContact O-N 2.84Å; C37-A40 WeakPolarHBondContact O-CB 3.35Å; C37-A40 PolarHBondContact O-N 3.22Å; C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 2.99Å; C37-L216 HydrophobicContact CB-CD2 4.29Å |
| 38 | L | 81.8 | Confident | 76.6 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.7 | -68.1 | 165.7 | 0 | 0 | 0 | 112.2 | V15 L34 C35 A40 V41 M42 I108 | V15-L38 HydrophobicContact CG1-CD2 4.21Å; L34-L38 HydrophobicContact CD1-CD1 3.79Å; L34-L38 HydrophobicContact CD1-CD2 4.42Å; L34-L38 HydrophobicContact CD1-CG 3.88Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.7Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.39Å; C35-L38 PolarHBondContact O-N 2.94Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.1Å; L38-V41 PolarHBondContact O-N 3.14Å; L38-M42 WeakPolarHBondContact O-CB 3.41Å; L38-M42 VanDerWaalsContact O-CG 3.28Å; L38-M42 WeakPolarHBondContact O-CG 3.1Å; L38-M42 PolarHBondContact O-N 3.37Å; L38-I108 HydrophobicContact CD1-CD1 3.34Å; L38-I108 HydrophobicContact CD1-CG1 4.48Å; L38-I108 HydrophobicContact CD1-CG2 3.94Å; L38-I108 HydrophobicContact CD2-CD1 3.37Å; L38-I108 HydrophobicContact CG-CD1 3.91Å |
| 39 | D | 81.9 | Confident | 77.1 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.3 | -67.7 | -25.5 | 0 | 0 | 0 | 110.6 | C35 C37 V41 M42 V43 | C35-D39 WeakPolarHBondContact O-CB 3.32Å; C35-D39 PolarHBondContact O-N 2.71Å; C37-D39 PolarHBondContact O-N 2.84Å; D39-V41 PolarHBondContact O-N 2.88Å; D39-M42 HydrophobicContact CB-CE 4.45Å; D39-M42 PolarHBondContact O-N 3.07Å; D39-M42 WeakPolarHBondContact OD1-CE 3.47Å; D39-V43 VanDerWaalsContact O-CG2 3.24Å; D39-V43 WeakPolarHBondContact O-CG2 3.5Å; D39-V43 PolarHBondContact O-N 3.1Å |
| 40 | A | 79.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K36 C37 L38 V43 M44 L216 A217 L220 | K36-A40 PolarHBondContact O-N 2.85Å; C37-A40 WeakPolarHBondContact O-CB 3.35Å; C37-A40 PolarHBondContact O-N 3.22Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.1Å; A40-V43 PolarHBondContact O-N 2.93Å; A40-M44 WeakPolarHBondContact O-CB 3.27Å; A40-M44 PolarHBondContact O-N 3.1Å; A40-L216 HydrophobicContact CB-CD2 4.02Å; A40-A217 HydrophobicContact CB-CB 4.07Å; A40-L220 HydrophobicContact CB-CD1 3.92Å |
| 41 | V | 82.6 | Confident | 78.3 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | I13 V15 C37 L38 D39 M44 G45 I157 | I13-V41 HydrophobicContact CD1-CG1 4.12Å; I13-V41 HydrophobicContact CG2-CG1 3.91Å; V15-V41 HydrophobicContact CG2-CG1 4.03Å; V15-V41 HydrophobicContact CG2-CG2 4.44Å; C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 2.99Å; L38-V41 PolarHBondContact O-N 3.14Å; D39-V41 PolarHBondContact O-N 2.88Å; V41-M44 PolarHBondContact O-N 3.01Å; V41-G45 PolarHBondContact O-N 2.89Å; V41-I157 HydrophobicContact CG2-CD1 3.33Å |
| 42 | M | 82.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.2 | -74.9 | -173.9 | -65 | 0 | 0 | 110.8 | L38 D39 M44 G45 N46 N101 I104 | L38-M42 WeakPolarHBondContact O-CB 3.41Å; L38-M42 VanDerWaalsContact O-CG 3.28Å; L38-M42 WeakPolarHBondContact O-CG 3.1Å; L38-M42 PolarHBondContact O-N 3.37Å; D39-M42 HydrophobicContact CB-CE 4.45Å; D39-M42 PolarHBondContact O-N 3.07Å; D39-M42 WeakPolarHBondContact OD1-CE 3.47Å; M42-M44 VanDerWaalsContact C-N 3.28Å; M42-M44 PolarHBondContact O-N 3.2Å; M42-G45 PolarHBondContact O-N 2.91Å; M42-N46 VanDerWaalsContact O-CB 3.3Å; M42-N46 WeakPolarHBondContact O-CB 3.45Å; M42-N46 PolarHBondContact O-N 2.91Å; M42-N46 PolarHBondContact O-ND2 2.82Å; M42-N101 HydrophobicContact SD-CB 3.8Å; M42-I104 HydrophobicContact CG-CD1 4.33Å; M42-I104 HydrophobicContact CG-CG2 4.3Å; M42-I104 HydrophobicContact SD-CB 4.32Å; M42-I104 HydrophobicContact SD-CG2 4.06Å |
| 43 | V | 82.6 | Confident | 79.1 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | D39 A40 N46 S47 L221 | D39-V43 VanDerWaalsContact O-CG2 3.24Å; D39-V43 WeakPolarHBondContact O-CG2 3.5Å; D39-V43 PolarHBondContact O-N 3.1Å; A40-V43 PolarHBondContact O-N 2.93Å; V43-N46 PolarHBondContact O-N 3.36Å; V43-S47 WeakPolarHBondContact O-CB 3.48Å; V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 PolarHBondContact O-OG 2.83Å; V43-L221 HydrophobicContact CG1-CD1 4.08Å; V43-L221 HydrophobicContact CG1-CD2 3.75Å |
| 44 | M | 79.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 175.8 | -175.9 | -86 | -93.8 | 0 | 0 | 112 | L11 I13 A40 V41 M42 N46 S47 H48 L155 L227 | L11-M44 HydrophobicContact CD2-SD 4.05Å; I13-M44 HydrophobicContact CD1-CE 3.7Å; I13-M44 HydrophobicContact CD1-SD 4Å; I13-M44 HydrophobicContact CG1-CE 4.4Å; A40-M44 WeakPolarHBondContact O-CB 3.27Å; A40-M44 PolarHBondContact O-N 3.1Å; V41-M44 PolarHBondContact O-N 3.01Å; M42-M44 VanDerWaalsContact C-N 3.28Å; M42-M44 PolarHBondContact O-N 3.2Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 2.94Å; M44-S47 WeakPolarHBondContact O-CB 3.4Å; M44-S47 PolarHBondContact O-N 3.31Å; M44-S47 VanDerWaalsContact O-N 3.12Å; M44-H48 PolarHBondContact O-N 3.37Å; M44-L155 HydrophobicContact CE-CD2 3.09Å; M44-L227 HydrophobicContact CG-CD1 4.2Å |
| 45 | G | 79.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V41 M42 S47 H48 M49 | V41-G45 PolarHBondContact O-N 2.89Å; M42-G45 PolarHBondContact O-N 2.91Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 3.06Å; G45-H48 PolarHBondContact O-N 3.24Å; G45-M49 WeakPolarHBondContact O-CG 3.49Å; G45-M49 PolarHBondContact O-N 3.32Å |
| 46 | N | 81.4 | Confident | 79.4 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 175.4 | -69.5 | -31.5 | 0 | 0 | 0 | 111.8 | M42 V43 M44 M49 A50 L97 N101 | M42-N46 VanDerWaalsContact O-CB 3.3Å; M42-N46 WeakPolarHBondContact O-CB 3.45Å; M42-N46 PolarHBondContact O-N 2.91Å; M42-N46 PolarHBondContact O-ND2 2.82Å; V43-N46 PolarHBondContact O-N 3.36Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 2.94Å; N46-M49 PolarHBondContact O-N 3.31Å; N46-A50 WeakPolarHBondContact O-CB 3.37Å; N46-A50 PolarHBondContact O-N 3.12Å; N46-L97 WeakPolarHBondContact OD1-CD2 3.42Å; N46-N101 PolarHBondContact ND2-ND2 3.31Å; N46-N101 VanDerWaalsContact ND2-ND2 3.11Å; N46-N101 PolarHBondContact ND2-OD1 2.91Å |
| 47 | S | 79.1 | Confident | 79.7 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | V43 M44 G45 M49 A50 M51 | V43-S47 WeakPolarHBondContact O-CB 3.48Å; V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 PolarHBondContact O-OG 2.83Å; M44-S47 WeakPolarHBondContact O-CB 3.4Å; M44-S47 PolarHBondContact O-N 3.31Å; M44-S47 VanDerWaalsContact O-N 3.12Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 3.06Å; S47-M49 PolarHBondContact O-N 3.47Å; S47-A50 WeakPolarHBondContact O-CB 3.29Å; S47-A50 PolarHBondContact O-N 3.45Å; S47-A50 VanDerWaalsContact O-N 3.11Å; S47-M51 WeakPolarHBondContact O-CG 3.25Å; S47-M51 PolarHBondContact O-N 3.3Å; S47-M51 VanDerWaalsContact O-N 3.16Å |
| 48 | H | 78.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 175 | 177.8 | -98.4 | 0 | 0 | 0 | 112.2 | L11 M44 G45 A50 M51 N55 | L11-H48 VanDerWaalsContact CB-CE1 3.49Å; L11-H48 WeakPolarHBondContact CB-CE1 3.32Å; L11-H48 HydrophobicContact CD2-CB 4.1Å; M44-H48 PolarHBondContact O-N 3.37Å; G45-H48 PolarHBondContact O-N 3.24Å; H48-A50 PolarHBondContact O-N 3.04Å; H48-M51 PolarHBondContact O-N 3.3Å; H48-N55 PolarHBondContact O-ND2 3.37Å |
| 49 | M | 77.9 | Confident | 80.5 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -26.4 | 174.7 | -69.6 | -173.8 | 68.3 | 0 | 0 | 113 | G45 N46 S47 L57 L97 | G45-M49 WeakPolarHBondContact O-CG 3.49Å; G45-M49 PolarHBondContact O-N 3.32Å; N46-M49 PolarHBondContact O-N 3.31Å; S47-M49 PolarHBondContact O-N 3.47Å; M49-L57 HydrophobicContact CG-CB 4.15Å; M49-L57 HydrophobicContact SD-CB 4.02Å; M49-L57 HydrophobicContact SD-CD2 4.26Å; M49-L97 HydrophobicContact CB-CD2 3.86Å; M49-L97 HydrophobicContact CE-CD2 3.87Å; M49-L97 HydrophobicContact CG-CD2 4.33Å; M49-L97 HydrophobicContact SD-CD2 3.61Å |
| 50 | A | 78.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 45% | 0.446 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -75.7 | -26.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N46 S47 H48 | N46-A50 WeakPolarHBondContact O-CB 3.37Å; N46-A50 PolarHBondContact O-N 3.12Å; S47-A50 WeakPolarHBondContact O-CB 3.29Å; S47-A50 PolarHBondContact O-N 3.45Å; S47-A50 VanDerWaalsContact O-N 3.11Å; H48-A50 PolarHBondContact O-N 3.04Å |
| 51 | M | 74.6 | Confident | 81.2 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -48.9 | -177.4 | -71.7 | 175.1 | 79.3 | 0 | 0 | 112.8 | S47 H48 L227 | S47-M51 WeakPolarHBondContact O-CG 3.25Å; S47-M51 PolarHBondContact O-N 3.3Å; S47-M51 VanDerWaalsContact O-N 3.16Å; H48-M51 PolarHBondContact O-N 3.3Å; M51-L227 HydrophobicContact CE-CB 4.3Å; M51-L227 WeakPolarHBondContact CE-O 2.95Å; M51-L227 HydrophobicContact SD-CB 3.87Å; M51-L227 HydrophobicContact SD-CD2 3.71Å; M51-L227 HydrophobicContact SD-CG 3.83Å |
| 52 | T | 73.3 | Confident | 81.3 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | trans | -138.4 | 140.6 | -178.6 | -43.8 | 0 | 0 | 0 | 0 | 110.1 | T54 N55 | T52-T54 VanDerWaalsContact C-N 3.26Å; T52-T54 WeakPolarHBondContact CG2-OG1 3.28Å; T52-T54 PolarHBondContact O-N 3.21Å; T52-N55 WeakPolarHBondContact CB-OD1 3.32Å; T52-N55 PolarHBondContact N-ND2 3.43Å; T52-N55 WeakPolarHBondContact O-CB 3.42Å; T52-N55 PolarHBondContact O-N 2.68Å | ||
| 53 | R | 74 | Confident | 81.3 | Confident | 235 Ų | 235 | 38.2 Ų | 38.2 | 89% | 0.887 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.2 | -178.4 | -63.6 | -174.9 | -176.6 | -175.3 | 0.8 | 113.9 | N55 | R53-N55 VanDerWaalsContact C-N 3.31Š|
| 54 | T | 78.9 | Confident | 80.8 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 28% | 0.282 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.6 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | E7 T52 R56 | E7-T54 PolarHBondContact O-OG1 3.43Å; T52-T54 VanDerWaalsContact C-N 3.26Å; T52-T54 WeakPolarHBondContact CG2-OG1 3.28Å; T52-T54 PolarHBondContact O-N 3.21Å; T54-R56 PolarHBondContact O-N 3.12Å |
| 55 | N | 80.1 | Confident | 80.3 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -68.2 | 129.3 | -175.8 | -70.9 | -4.6 | 0 | 0 | 0 | 111 | N9 H48 T52 R53 | N9-N55 WeakPolarHBondContact CB-OD1 3.37Å; N9-N55 PolarHBondContact ND2-OD1 2.89Å; N9-N55 VanDerWaalsContact ND2-OD1 3.14Å; N9-N55 CarbonylContact O-C 3.46Å; N9-N55 WeakPolarHBondContact O-CA 3.47Å; H48-N55 PolarHBondContact O-ND2 3.37Å; T52-N55 WeakPolarHBondContact CB-OD1 3.32Å; T52-N55 PolarHBondContact N-ND2 3.43Å; T52-N55 WeakPolarHBondContact O-CB 3.42Å; T52-N55 PolarHBondContact O-N 2.68Å; R53-N55 VanDerWaalsContact C-N 3.31Å | ||
| 56 | R | 82.4 | Confident | 80 | Confident | 78 Ų | 78 | 43.6 Ų | 43.6 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 146.2 | 170.9 | -70.1 | -163 | -84.8 | -164.5 | -8.1 | 110 | L8 N9 L10 L11 T54 | L8-R56 HydrophobicContact CD2-CG 4.43Å; N9-R56 PolarHBondContact O-N 3.5Å; L10-R56 WeakPolarHBondContact CA-O 3.5Å; L10-R56 HydrophobicContact CD1-CB 3.65Å; L11-R56 PolarHBondContact N-O 2.94Å; T54-R56 PolarHBondContact O-N 3.12Å |
| 57 | L | 85.4 | Confident | 79.9 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.5 | 176.4 | -177.2 | 68.4 | 0 | 0 | 0 | 108.5 | L11 I13 M49 V59 Y71 | L11-L57 HydrophobicContact CB-CD1 4.22Å; L11-L57 HydrophobicContact CD2-CD1 4.12Å; L11-L57 HydrophobicContact CG-CD1 4.21Å; L11-L57 CarbonylContact O-C 3.57Å; L11-L57 WeakPolarHBondContact O-CA 3.45Å; I13-L57 HydrophobicContact CD1-CD1 3.77Å; I13-L57 HydrophobicContact CG1-CD1 4Å; M49-L57 HydrophobicContact CG-CB 4.15Å; M49-L57 HydrophobicContact SD-CB 4.02Å; M49-L57 HydrophobicContact SD-CD2 4.26Å; L57-V59 HydrophobicContact CD1-CG2 4.4Å; L57-V59 HydrophobicContact CD2-CG2 4.01Å; L57-V59 HydrophobicContact CG-CG2 4Å; L57-Y71 HydrophobicContact CB-CD1 4.41Å; L57-Y71 HydrophobicContact CB-CE1 4.3Å; L57-Y71 WeakPolarHBondContact O-CD1 3.29Å; L57-Y71 WeakPolarHBondContact O-CE1 3.37Å |
| 58 | A | 87.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L11 V12 I13 Y71 Y136 | L11-A58 PolarHBondContact O-N 3.27Å; V12-A58 CarbonylContact C-O 3.54Å; V12-A58 VanDerWaalsContact CA-O 3.31Å; V12-A58 WeakPolarHBondContact CA-O 3.5Å; V12-A58 HydrophobicContact CG1-CB 4.18Å; V12-A58 HydrophobicContact CG2-CB 4.26Å; I13-A58 PolarHBondContact N-O 3.44Å; A58-Y71 CarbonylContact C-O 3.51Å; A58-Y71 VanDerWaalsContact CA-O 3.32Å; A58-Y71 WeakPolarHBondContact CA-O 3.36Å; A58-Y136 HydrophobicContact CB-CD1 4.1Å; A58-Y136 HydrophobicContact CB-CE1 3.71Å |
| 59 | V | 88.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.3 | 179.7 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | I13 V15 L57 L70 Y71 I104 | I13-V59 CarbonylContact O-C 3.53Å; I13-V59 WeakPolarHBondContact O-CA 3.4Å; V15-V59 HydrophobicContact CG2-CG1 4.35Å; L57-V59 HydrophobicContact CD1-CG2 4.4Å; L57-V59 HydrophobicContact CD2-CG2 4.01Å; L57-V59 HydrophobicContact CG-CG2 4Å; V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 HydrophobicContact CG1-CB 4.21Å; V59-L70 HydrophobicContact CG1-CD1 3.92Å; V59-L70 PolarHBondContact O-N 2.85Å; V59-Y71 PolarHBondContact N-O 3.38Å; V59-Y71 PolarHBondContact O-N 3.06Å; V59-I104 HydrophobicContact CG2-CD1 4.28Å |
| 60 | I | 89.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.5 | -178.8 | -55.6 | 177.7 | 0 | 0 | 0 | 108.3 | V12 I13 V14 V15 H68 F69 K132 A133 | V12-I60 HydrophobicContact CG1-CD1 3.95Å; V12-I60 HydrophobicContact CG1-CG1 4.33Å; I13-I60 PolarHBondContact O-N 2.77Å; V14-I60 CarbonylContact C-O 3.58Å; V14-I60 WeakPolarHBondContact CA-O 3.36Å; V14-I60 HydrophobicContact CG2-CB 4.42Å; V15-I60 PolarHBondContact N-O 2.83Å; I60-H68 CarbonylContact C-O 3.48Å; I60-H68 WeakPolarHBondContact CA-O 3.44Å; I60-F69 HydrophobicContact CD1-CD1 4.08Å; I60-F69 HydrophobicContact CD1-CE1 3.49Å; I60-F69 VanDerWaalsContact CD1-CE1 3.49Å; I60-F69 HydrophobicContact CD1-CZ 3.88Å; I60-F69 HydrophobicContact CG1-CD1 3.67Å; I60-F69 HydrophobicContact CG1-CE1 3.64Å; I60-F69 HydrophobicContact CG1-CG 4.4Å; I60-F69 HydrophobicContact CG1-CZ 4.35Å; I60-K132 HydrophobicContact CD1-CB 4.5Å; I60-A133 HydrophobicContact CD1-CB 3.83Å |
| 61 | A | 87.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V15 V17 S67 H68 L70 I111 | V15-A61 WeakPolarHBondContact O-CA 3.44Å; V17-A61 HydrophobicContact CG2-CB 3.75Å; A61-S67 WeakPolarHBondContact O-CA 3.4Å; A61-H68 PolarHBondContact N-O 3.38Å; A61-H68 PolarHBondContact O-N 3.33Å; A61-L70 HydrophobicContact CB-CD1 3.83Å; A61-L70 HydrophobicContact CB-CD2 3.84Å; A61-L70 HydrophobicContact CB-CG 3.76Å; A61-I111 HydrophobicContact CB-CD1 4.16Å |
| 62 | S | 84.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.1 | 168.7 | -165.9 | 0 | 0 | 0 | 0 | 108.7 | V15 V17 S129 | V15-S62 PolarHBondContact O-N 2.89Å; V17-S62 PolarHBondContact N-O 2.83Å; S62-S129 VanDerWaalsContact CB-OG 3.26Å; S62-S129 WeakPolarHBondContact CB-OG 3.46Å; S62-S129 PolarHBondContact OG-OG 2.85Å; S62-S129 VanDerWaalsContact OG-OG 3.05Å |
| 63 | H | 81.3 | Confident | 79.3 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | trans | -101.2 | 168 | 172.4 | -173.8 | -109.6 | 0 | 0 | 0 | 110 | Q65 D66 I111 T115 | H63-Q65 VanDerWaalsContact C-N 3.33Å; H63-Q65 PolarHBondContact ND1-N 3.41Å; H63-D66 CarbonylContact C-O 3.5Å; H63-D66 VanDerWaalsContact CA-O 3.29Å; H63-D66 WeakPolarHBondContact CA-O 3.42Å; H63-D66 WeakPolarHBondContact CB-O 3.48Å; H63-D66 PolarHBondContact N-O 3.47Å; H63-I111 HydrophobicContact CB-CG2 4.4Å; H63-T115 PolarHBondContact NE2-OG1 3.05Å | ||
| 64 | C | 72.3 | Confident | 78.4 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 10% | 0.095 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -71.1 | -28.2 | -179.4 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | D123 L125 | C64-D123 WeakPolarHBondContact CA-O 3.31Å; C64-D123 WeakPolarHBondContact CB-O 3.32Å; C64-L125 WeakPolarHBondContact O-CD1 3.35Å |
| 65 | Q | 70.1 | Confident | 76.6 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 39% | 0.388 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -100 | -32.1 | -180 | -68.5 | 173.7 | -8.3 | 0 | 0 | 112.9 | H63 E116 L125 | H63-Q65 VanDerWaalsContact C-N 3.33Å; H63-Q65 PolarHBondContact ND1-N 3.41Å; Q65-E116 PolarHBondContact NE2-O 2.96Å; Q65-L125 VanDerWaalsContact C-CD1 3.45Å; Q65-L125 WeakPolarHBondContact O-CD1 3.5Å |
| 66 | D | 73.6 | Confident | 74.9 | Confident | 91 Ų | 91 | 41 Ų | 41 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | trans | -149.8 | 164.9 | -173.6 | -97.7 | -40.8 | 0 | 0 | 0 | 112.5 | H63 | H63-D66 CarbonylContact C-O 3.5Å; H63-D66 VanDerWaalsContact CA-O 3.29Å; H63-D66 WeakPolarHBondContact CA-O 3.42Å; H63-D66 WeakPolarHBondContact CB-O 3.48Å; H63-D66 PolarHBondContact N-O 3.47Å | ||
| 67 | S | 79.9 | Confident | 72.9 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 8% | 0.077 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.5 | 171.3 | 38.1 | 0 | 0 | 0 | 0 | 109.7 | A61 S129 K132 | A61-S67 WeakPolarHBondContact O-CA 3.4Å; S67-S129 VanDerWaalsContact CB-OG 3.24Å; S67-S129 WeakPolarHBondContact CB-OG 3.26Å; S67-K132 PolarHBondContact O-NZ 2.78Å; S67-K132 WeakPolarHBondContact OG-CD 3.42Å; S67-K132 WeakPolarHBondContact OG-CE 3.4Å; S67-K132 PolarHBondContact OG-NZ 2.79Å |
| 68 | H | 81.4 | Confident | 70.6 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.1 | -174.3 | -76 | -86.7 | 0 | 0 | 0 | 110.7 | I60 A61 L70 I111 | I60-H68 CarbonylContact C-O 3.48Å; I60-H68 WeakPolarHBondContact CA-O 3.44Å; A61-H68 PolarHBondContact N-O 3.38Å; A61-H68 PolarHBondContact O-N 3.33Å; H68-L70 PolarHBondContact O-N 3.34Å; H68-I111 HydrophobicContact CB-CD1 3.75Å; H68-I111 HydrophobicContact CB-CG1 4.49Å |
| 69 | F | 83.6 | Confident | 68.1 | Low | 46 Ų | 46 | 51.9 Ų | 51.9 | 20% | 0.202 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.7 | 169 | -76.6 | -90.3 | 0 | 0 | 0 | 107.9 | I60 K132 Y136 | I60-F69 HydrophobicContact CD1-CD1 4.08Å; I60-F69 HydrophobicContact CD1-CE1 3.49Å; I60-F69 VanDerWaalsContact CD1-CE1 3.49Å; I60-F69 HydrophobicContact CD1-CZ 3.88Å; I60-F69 HydrophobicContact CG1-CD1 3.67Å; I60-F69 HydrophobicContact CG1-CE1 3.64Å; I60-F69 HydrophobicContact CG1-CG 4.4Å; I60-F69 HydrophobicContact CG1-CZ 4.35Å; F69-K132 HydrophobicContact CE2-CB 3.95Å; F69-K132 HydrophobicContact CE2-CD 4.06Å; F69-K132 HydrophobicContact CE2-CG 4.28Å; F69-K132 HydrophobicContact CZ-CB 3.87Å; F69-Y136 HydrophobicContact CE1-CD2 4.33Å; F69-Y136 HydrophobicContact CE1-CG 4.24Å |
| 70 | L | 79.2 | Confident | 65.5 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -34.9 | 171.2 | -58.4 | -179.8 | 0 | 0 | 0 | 110.3 | V59 A61 H68 I104 E107 I108 I111 | V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 HydrophobicContact CG1-CB 4.21Å; V59-L70 HydrophobicContact CG1-CD1 3.92Å; V59-L70 PolarHBondContact O-N 2.85Å; A61-L70 HydrophobicContact CB-CD1 3.83Å; A61-L70 HydrophobicContact CB-CD2 3.84Å; A61-L70 HydrophobicContact CB-CG 3.76Å; H68-L70 PolarHBondContact O-N 3.34Å; L70-I104 HydrophobicContact CB-CG1 4.18Å; L70-I104 HydrophobicContact CD1-CG2 4.22Å; L70-E107 HydrophobicContact CD2-CB 3.67Å; L70-I108 HydrophobicContact CD1-CD1 3.69Å; L70-I108 HydrophobicContact CD1-CG1 3.72Å; L70-I108 HydrophobicContact CD2-CD1 4.5Å; L70-I108 HydrophobicContact CD2-CG1 3.64Å; L70-I108 HydrophobicContact CG-CG1 4.34Å; L70-I111 HydrophobicContact CD2-CD1 3.89Å |
| 71 | Y | 75.5 | Confident | 63 | Low | 27 Ų | 27 | 63.8 Ų | 63.8 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 137.7 | 177.1 | -172.1 | -99.5 | 0 | 0 | 0 | 109.9 | L57 A58 V59 W76 A100 | L57-Y71 HydrophobicContact CB-CD1 4.41Å; L57-Y71 HydrophobicContact CB-CE1 4.3Å; L57-Y71 WeakPolarHBondContact O-CD1 3.29Å; L57-Y71 WeakPolarHBondContact O-CE1 3.37Å; A58-Y71 CarbonylContact C-O 3.51Å; A58-Y71 VanDerWaalsContact CA-O 3.32Å; A58-Y71 WeakPolarHBondContact CA-O 3.36Å; V59-Y71 PolarHBondContact N-O 3.38Å; V59-Y71 PolarHBondContact O-N 3.06Å; Y71-W76 HydrophobicContact CE2-CH2 4.18Å; Y71-A100 HydrophobicContact CD2-CB 4.08Å; Y71-A100 HydrophobicContact CE2-CB 3.77Å |
| 72 | P | 68.6 | Low | 60.1 | Low | 28 Ų | 28 | 67.5 Ų | 67.5 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | S | Bend | cis | -67.1 | 139.5 | -13 | 28.7 | -34.5 | 0 | 0 | 0 | 111.3 | Y136 | P72-Y136 HydrophobicContact CG-CE2 3.87Š|
| 73 | S | 60.6 | Low | 57.8 | Low | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.063 | 43% | 0.426 | C | S | . | . | trans | -70.4 | 143.8 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | S75 W76 | S73-S75 VanDerWaalsContact CB-OG 3.31Å; S73-S75 WeakPolarHBondContact CB-OG 3.48Å; S73-S75 PolarHBondContact O-N 3.31Å; S73-S75 VanDerWaalsContact O-N 3.13Å; S73-S75 PolarHBondContact OG-N 3.26Å; S73-S75 PolarHBondContact OG-OG 3.38Å; S73-W76 PolarHBondContact O-N 2.77Å | ||
| 74 | K | 54.2 | Low | 55.5 | Low | 165 Ų | 165 | 77.9 Ų | 77.9 | 72% | 0.717 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -59.1 | -18.4 | 169.2 | -71.9 | -179.1 | 175.8 | -179.4 | 0 | 112.3 | W76 E77 | K74-W76 PolarHBondContact O-N 2.88Å; K74-E77 PolarHBondContact O-N 2.83Å |
| 75 | S | 42.4 | Very low | 54.1 | Low | 68 Ų | 68 | 86.3 Ų | 86.3 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -66.1 | -17 | 177.2 | 64.1 | 0 | 0 | 0 | 0 | 114 | S73 | S73-S75 VanDerWaalsContact CB-OG 3.31Å; S73-S75 WeakPolarHBondContact CB-OG 3.48Å; S73-S75 PolarHBondContact O-N 3.31Å; S73-S75 VanDerWaalsContact O-N 3.13Å; S73-S75 PolarHBondContact OG-N 3.26Å; S73-S75 PolarHBondContact OG-OG 3.38Å |
| 76 | W | 43.1 | Very low | 52.6 | Low | 144 Ų | 144 | 89.1 Ų | 89.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -75.9 | -25.3 | 175.4 | -79.5 | 8.6 | 0 | 0 | 0 | 113.7 | Y71 S73 K74 | Y71-W76 HydrophobicContact CE2-CH2 4.18Å; S73-W76 PolarHBondContact O-N 2.77Å; K74-W76 PolarHBondContact O-N 2.88Å |
| 77 | E | 41.8 | Very low | 51 | Low | 147 Ų | 147 | 88.6 Ų | 88.6 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -13.3 | 178.8 | -62.9 | -170.4 | 112.3 | 0 | 0 | 112.7 | K74 G79 R139 | K74-E77 PolarHBondContact O-N 2.83Å; E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.34Å; E77-R139 IonicContact OE2-NH1 3.8Å |
| 78 | S | 35.5 | Very low | 49.2 | Very low | 96 Ų | 96 | 93.7 Ų | 93.7 | 67% | 0.671 | 56% | 0.557 | S | S | * | * | trans | -97.3 | 37.6 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | D80 | S78-D80 PolarHBondContact O-N 2.81Š| ||
| 79 | G | 36.6 | Very low | 47.3 | Very low | 76 Ų | 76 | 93.9 Ų | 93.9 | 78% | 0.784 | 57% | 0.566 | S | S | * | * | trans | -71.8 | 74.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E77 | E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.34Å | ||
| 80 | D | 34.1 | Very low | 45.5 | Very low | 142 Ų | 142 | 103.6 Ų | 103.6 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | trans | -122.8 | 119.4 | 150.6 | -165.4 | 10.4 | 0 | 0 | 0 | 109.6 | S78 | S78-D80 PolarHBondContact O-N 2.81Š| ||
| 81 | S | 36.4 | Very low | 43.9 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 67.2 | 103 | 160.3 | -63.2 | 0 | 0 | 0 | 0 | 119.3 | ||
| 82 | G | 27.3 | Very low | 42.9 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 66% | 0.655 | S | S | * | * | trans | 147.5 | 82.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 83 | G | 37.3 | Very low | 42.2 | Very low | 72 Ų | 72 | 114.6 Ų | 114.6 | 74% | 0.742 | 67% | 0.67 | S | S | * | * | trans | -64.6 | 140.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | D | 32.3 | Very low | 42 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -163.2 | 113.9 | 138.1 | -92.4 | -21.8 | 0 | 0 | 0 | 110 | ||||
| 85 | E | 42.4 | Very low | 42.5 | Very low | 191 Ų | 191 | 116.8 Ų | 116.8 | 89% | 0.893 | 68% | 0.676 | S | S | * | * | trans | 34.6 | 85.2 | 149.1 | -52.3 | -157 | 136.8 | 0 | 0 | 119.4 | ||||
| 86 | I | 38.7 | Very low | 43.7 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 72% | 0.723 | 68% | 0.682 | S | S | * | * | trans | -106 | 100.2 | 147 | -60.3 | 175.4 | 0 | 0 | 0 | 107 | S88 | I86-S88 PolarHBondContact O-N 3.5Š| ||
| 87 | S | 40.5 | Very low | 45.1 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 56% | 0.559 | 66% | 0.66 | S | S | * | * | trans | -2.6 | 102.2 | 164.2 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | S89 | S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 2.8Å | ||
| 88 | S | 42.8 | Very low | 46.6 | Very low | 119 Ų | 119 | 108 Ų | 108 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | trans | -69.9 | 77.5 | 164.2 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | I86 | I86-S88 PolarHBondContact O-N 3.5Š| ||
| 89 | S | 40.8 | Very low | 48.6 | Very low | 75 Ų | 75 | 105.9 Ų | 105.9 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | trans | -110.1 | 74.6 | -175.8 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | S87 D91 E95 | S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.94Å; S89-E95 VanDerWaalsContact CA-OE1 3.31Å; S89-E95 WeakPolarHBondContact CA-OE1 3.37Å; S89-E95 PolarHBondContact N-OE1 2.95Å | ||
| 90 | R | 46.2 | Very low | 50.5 | Low | 251 Ų | 251 | 102.5 Ų | 102.5 | 95% | 0.947 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 33.9 | 35.8 | 145.8 | -69.7 | 176.7 | 73.4 | -177.3 | 3.2 | 119.8 | ||
| 91 | D | 44.1 | Very low | 52.8 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -148.6 | 69.6 | 161.9 | -150.1 | 9.9 | 0 | 0 | 0 | 111.1 | S89 K93 Y94 | S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.94Å; D91-K93 PolarHBondContact O-N 2.81Å; D91-Y94 PolarHBondContact O-N 2.87Å | ||
| 92 | G | 54.5 | Low | 55 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 9.8 | -160.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 93 | K | 54.2 | Low | 57.5 | Low | 116 Ų | 116 | 95.5 Ų | 95.5 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -32.5 | 173.9 | -164.9 | 178.6 | 179.1 | -169.8 | 0 | 113.1 | D91 | D91-K93 PolarHBondContact O-N 2.81Š|
| 94 | Y | 57.3 | Low | 59.7 | Low | 155 Ų | 155 | 92.4 Ų | 92.4 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -19.1 | -178.2 | -74.4 | -80.3 | 0 | 0 | 0 | 113.1 | D91 L97 A98 | D91-Y94 PolarHBondContact O-N 2.87Å; Y94-L97 HydrophobicContact CD1-CD1 4.23Å; Y94-L97 PolarHBondContact O-N 3.46Å; Y94-A98 WeakPolarHBondContact O-CB 3.38Å; Y94-A98 PolarHBondContact O-N 3.23Å |
| 95 | E | 64.8 | Low | 62.1 | Low | 65 Ų | 65 | 87 Ų | 87 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176 | -71.3 | -173.9 | 154.9 | 0 | 0 | 112.3 | S89 L97 A98 V99 | S89-E95 VanDerWaalsContact CA-OE1 3.31Å; S89-E95 WeakPolarHBondContact CA-OE1 3.37Å; S89-E95 PolarHBondContact N-OE1 2.95Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.82Å; E95-A98 PolarHBondContact O-N 3.35Å; E95-V99 WeakPolarHBondContact O-CB 3.34Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.88Å |
| 96 | L | 67.4 | Low | 64 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 59% | 0.586 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.3 | -38.6 | 177.6 | -75 | 163.7 | 0 | 0 | 0 | 112.4 | A100 | L96-A100 WeakPolarHBondContact O-CB 3.3Å; L96-A100 PolarHBondContact O-N 3.33Å |
| 97 | L | 71.4 | Confident | 66.1 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73.1 | -40.9 | 178.2 | -59.8 | 173 | 0 | 0 | 0 | 111.1 | N46 M49 Y94 E95 A100 N101 | N46-L97 WeakPolarHBondContact OD1-CD2 3.42Å; M49-L97 HydrophobicContact CB-CD2 3.86Å; M49-L97 HydrophobicContact CE-CD2 3.87Å; M49-L97 HydrophobicContact CG-CD2 4.33Å; M49-L97 HydrophobicContact SD-CD2 3.61Å; Y94-L97 HydrophobicContact CD1-CD1 4.23Å; Y94-L97 PolarHBondContact O-N 3.46Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.82Å; L97-A100 PolarHBondContact O-N 2.91Å; L97-N101 PolarHBondContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.43Å; L97-N101 PolarHBondContact O-OD1 3.46Å |
| 98 | A | 73.9 | Confident | 68 | Low | 45 Ų | 45 | 76 Ų | 76 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y94 E95 N101 N102 | Y94-A98 WeakPolarHBondContact O-CB 3.38Å; Y94-A98 PolarHBondContact O-N 3.23Å; E95-A98 PolarHBondContact O-N 3.35Å; A98-N101 PolarHBondContact O-N 3.43Å; A98-N102 VanDerWaalsContact O-CG 3.27Å; A98-N102 PolarHBondContact O-N 2.97Å; A98-N102 PolarHBondContact O-ND2 2.83Å |
| 99 | V | 78.7 | Confident | 69.9 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | E95 N101 N102 L103 | E95-V99 WeakPolarHBondContact O-CB 3.34Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.88Å; V99-N101 PolarHBondContact O-N 3.03Å; V99-N102 PolarHBondContact O-N 3.3Å; V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.46Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.11Å |
| 100 | A | 76.2 | Confident | 71.8 | Confident | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y71 L96 L97 N102 L103 I104 | Y71-A100 HydrophobicContact CD2-CB 4.08Å; Y71-A100 HydrophobicContact CE2-CB 3.77Å; L96-A100 WeakPolarHBondContact O-CB 3.3Å; L96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 2.91Å; A100-N102 PolarHBondContact O-N 3.03Å; A100-L103 PolarHBondContact O-N 3.16Å; A100-I104 WeakPolarHBondContact O-CB 3.5Å; A100-I104 VanDerWaalsContact O-CG1 3.24Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.8Å |
| 101 | N | 81.8 | Confident | 73.4 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.7 | -66.4 | -18.2 | 0 | 0 | 0 | 111.8 | M42 N46 L97 A98 V99 I104 A105 | M42-N101 HydrophobicContact SD-CB 3.8Å; N46-N101 PolarHBondContact ND2-ND2 3.31Å; N46-N101 VanDerWaalsContact ND2-ND2 3.11Å; N46-N101 PolarHBondContact ND2-OD1 2.91Å; L97-N101 PolarHBondContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.43Å; L97-N101 PolarHBondContact O-OD1 3.46Å; A98-N101 PolarHBondContact O-N 3.43Å; V99-N101 PolarHBondContact O-N 3.03Å; N101-I104 PolarHBondContact O-N 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 2.89Å |
| 102 | N | 81.6 | Confident | 74.8 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 178.1 | -72.5 | -28.3 | 0 | 0 | 0 | 111.7 | A98 V99 A100 A105 E106 | A98-N102 VanDerWaalsContact O-CG 3.27Å; A98-N102 PolarHBondContact O-N 2.97Å; A98-N102 PolarHBondContact O-ND2 2.83Å; V99-N102 PolarHBondContact O-N 3.3Å; A100-N102 PolarHBondContact O-N 3.03Å; N102-A105 PolarHBondContact O-N 3.38Å; N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 PolarHBondContact O-N 3.39Å |
| 103 | L | 81.7 | Confident | 76 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.2 | -72.3 | 170.3 | 0 | 0 | 0 | 111.9 | V99 A100 A105 E106 E107 | V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.46Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.11Å; A100-L103 PolarHBondContact O-N 3.16Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.87Å; L103-E106 PolarHBondContact O-N 2.89Å; L103-E107 WeakPolarHBondContact O-CB 3.2Å; L103-E107 WeakPolarHBondContact O-CG 3.26Å; L103-E107 PolarHBondContact O-N 3.01Å |
| 104 | I | 82.4 | Confident | 76.7 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 176.4 | -71.1 | 167.3 | 0 | 0 | 0 | 110.1 | M42 V59 L70 A100 N101 E106 I108 | M42-I104 HydrophobicContact CG-CD1 4.33Å; M42-I104 HydrophobicContact CG-CG2 4.3Å; M42-I104 HydrophobicContact SD-CB 4.32Å; M42-I104 HydrophobicContact SD-CG2 4.06Å; V59-I104 HydrophobicContact CG2-CD1 4.28Å; L70-I104 HydrophobicContact CB-CG1 4.18Å; L70-I104 HydrophobicContact CD1-CG2 4.22Å; A100-I104 WeakPolarHBondContact O-CB 3.5Å; A100-I104 VanDerWaalsContact O-CG1 3.24Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.8Å; N101-I104 PolarHBondContact O-N 3.31Å; I104-E106 PolarHBondContact O-N 3.18Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 WeakPolarHBondContact O-CB 3.47Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.38Å |
| 105 | A | 82.2 | Confident | 77.1 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N101 N102 L103 R109 | N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 2.89Å; N102-A105 PolarHBondContact O-N 3.38Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.87Å; A105-R109 WeakPolarHBondContact O-CB 3.47Å; A105-R109 PolarHBondContact O-N 2.93Å |
| 106 | E | 83.5 | Confident | 76.5 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.6 | -45.8 | 177.5 | -172.8 | 172.2 | -169.2 | 0 | 0 | 112.4 | N102 L103 I104 I108 R109 S110 | N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 PolarHBondContact O-N 3.39Å; L103-E106 PolarHBondContact O-N 2.89Å; I104-E106 PolarHBondContact O-N 3.18Å; E106-I108 PolarHBondContact O-N 3Å; E106-R109 WeakPolarHBondContact O-CB 3.34Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-S110 PolarHBondContact O-N 2.94Å |
| 107 | E | 81.1 | Confident | 76 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 177.4 | -75.3 | -65.3 | 160.9 | 0 | 0 | 111.4 | L70 L103 R109 S110 I111 | L70-E107 HydrophobicContact CD2-CB 3.67Å; L103-E107 WeakPolarHBondContact O-CB 3.2Å; L103-E107 WeakPolarHBondContact O-CG 3.26Å; L103-E107 PolarHBondContact O-N 3.01Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.46Å; E107-S110 WeakPolarHBondContact O-CB 3.27Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 VanDerWaalsContact O-N 3.17Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.21Å |
| 108 | I | 81.3 | Confident | 74.7 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.9 | -67 | 173.2 | 0 | 0 | 0 | 110.7 | L38 L70 I104 E106 S110 I111 M112 | L38-I108 HydrophobicContact CD1-CD1 3.34Å; L38-I108 HydrophobicContact CD1-CG1 4.48Å; L38-I108 HydrophobicContact CD1-CG2 3.94Å; L38-I108 HydrophobicContact CD2-CD1 3.37Å; L38-I108 HydrophobicContact CG-CD1 3.91Å; L70-I108 HydrophobicContact CD1-CD1 3.69Å; L70-I108 HydrophobicContact CD1-CG1 3.72Å; L70-I108 HydrophobicContact CD2-CD1 4.5Å; L70-I108 HydrophobicContact CD2-CG1 3.64Å; L70-I108 HydrophobicContact CG-CG1 4.34Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 WeakPolarHBondContact O-CB 3.47Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.38Å; E106-I108 PolarHBondContact O-N 3Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.02Å; I108-I111 PolarHBondContact O-N 2.83Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 2.93Å |
| 109 | R | 82.4 | Confident | 73.2 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 59% | 0.592 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 175.4 | -169 | -175.7 | -61.2 | 110.8 | 1.6 | 111 | A105 E106 E107 M112 T113 | A105-R109 WeakPolarHBondContact O-CB 3.47Å; A105-R109 PolarHBondContact O-N 2.93Å; E106-R109 WeakPolarHBondContact O-CB 3.34Å; E106-R109 PolarHBondContact O-N 3.26Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.46Å; R109-M112 PolarHBondContact O-N 3.12Å; R109-T113 WeakPolarHBondContact O-CG2 3.47Å; R109-T113 PolarHBondContact O-N 3.48Å; R109-T113 PolarHBondContact O-OG1 3.31Å |
| 110 | S | 81.6 | Confident | 71.7 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.7 | -162.4 | 0 | 0 | 0 | 0 | 112.2 | E106 E107 I108 T113 K114 | E106-S110 PolarHBondContact O-N 2.94Å; E107-S110 WeakPolarHBondContact O-CB 3.27Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 VanDerWaalsContact O-N 3.17Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.02Å; S110-T113 WeakPolarHBondContact CA-OG1 3.45Å; S110-T113 PolarHBondContact O-N 2.9Å; S110-T113 PolarHBondContact O-OG1 3.47Å; S110-T113 VanDerWaalsContact O-OG1 3.07Å; S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CD 3.46Å; S110-K114 WeakPolarHBondContact O-CG 3.27Å; S110-K114 PolarHBondContact O-N 2.92Å; S110-K114 WeakPolarHBondContact OG-CE 3.36Å; S110-K114 PolarHBondContact OG-NZ 3.43Å |
| 111 | I | 78.4 | Confident | 70.6 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 177.6 | -66.3 | 162.6 | 0 | 0 | 0 | 110.1 | A61 H63 H68 L70 E107 I108 T113 K114 T115 | A61-I111 HydrophobicContact CB-CD1 4.16Å; H63-I111 HydrophobicContact CB-CG2 4.4Å; H68-I111 HydrophobicContact CB-CD1 3.75Å; H68-I111 HydrophobicContact CB-CG1 4.49Å; L70-I111 HydrophobicContact CD2-CD1 3.89Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.21Å; I108-I111 PolarHBondContact O-N 2.83Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.38Å; I111-K114 PolarHBondContact O-N 3.15Å; I111-T115 PolarHBondContact O-N 3.38Å; I111-T115 PolarHBondContact O-OG1 3.43Å |
| 112 | M | 75.3 | Confident | 69.4 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 179.2 | -67.4 | -67 | 103.9 | 0 | 0 | 112.5 | V17 L34 I108 R109 | V17-M112 HydrophobicContact CG1-CE 3.48Å; V17-M112 VanDerWaalsContact CG1-CE 3.48Å; L34-M112 HydrophobicContact CD2-SD 4.2Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 2.93Å; R109-M112 PolarHBondContact O-N 3.12Å |
| 113 | T | 77.8 | Confident | 68.7 | Low | 110 Ų | 110 | 74.8 Ų | 74.8 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -78.2 | -31.8 | 176.9 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | R109 S110 I111 T115 | R109-T113 WeakPolarHBondContact O-CG2 3.47Å; R109-T113 PolarHBondContact O-N 3.48Å; R109-T113 PolarHBondContact O-OG1 3.31Å; S110-T113 WeakPolarHBondContact CA-OG1 3.45Å; S110-T113 PolarHBondContact O-N 2.9Å; S110-T113 PolarHBondContact O-OG1 3.47Å; S110-T113 VanDerWaalsContact O-OG1 3.07Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.38Å; T113-T115 PolarHBondContact O-N 3.31Å |
| 114 | K | 70.8 | Confident | 68.2 | Low | 146 Ų | 146 | 73.6 Ų | 73.6 | 64% | 0.635 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -74.1 | -12 | 175.1 | -75.9 | 169.4 | -179.5 | 157.7 | 0 | 113.7 | S110 I111 E116 | S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CD 3.46Å; S110-K114 WeakPolarHBondContact O-CG 3.27Å; S110-K114 PolarHBondContact O-N 2.92Å; S110-K114 WeakPolarHBondContact OG-CE 3.36Å; S110-K114 PolarHBondContact OG-NZ 3.43Å; I111-K114 PolarHBondContact O-N 3.15Å; K114-E116 VanDerWaalsContact C-N 3.33Å; K114-E116 PolarHBondContact O-N 2.93Å |
| 115 | T | 64.4 | Low | 68 | Low | 27 Ų | 27 | 76.2 Ų | 76.2 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | trans | -76.3 | 86.6 | -177.3 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | P19 H63 I111 T113 V117 | P19-T115 HydrophobicContact CG-CG2 4.09Å; H63-T115 PolarHBondContact NE2-OG1 3.05Å; I111-T115 PolarHBondContact O-N 3.38Å; I111-T115 PolarHBondContact O-OG1 3.43Å; T113-T115 PolarHBondContact O-N 3.31Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å | ||
| 116 | E | 52.8 | Low | 68 | Low | 151 Ų | 151 | 75 Ų | 75 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | trans | -79.5 | 117.1 | 155.3 | -65.9 | -171.8 | 172.9 | 0 | 0 | 107.2 | Q65 K114 T118 | Q65-E116 PolarHBondContact NE2-O 2.96Å; K114-E116 VanDerWaalsContact C-N 3.33Å; K114-E116 PolarHBondContact O-N 2.93Å; E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 PolarHBondContact O-OG1 3.42Å | ||
| 117 | V | 57.5 | Low | 68.1 | Low | 105 Ų | 105 | 69.7 Ų | 69.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | trans | -74.8 | 73.2 | -178.7 | -172 | 0 | 0 | 0 | 0 | 108.9 | T115 G119 | T115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-G119 PolarHBondContact O-N 3.28Å | ||
| 118 | T | 44.1 | Very low | 68.3 | Low | 107 Ų | 107 | 68.6 Ų | 68.6 | 66% | 0.656 | 38% | 0.383 | S | S | * | . | trans | -92.6 | 85.7 | 177.2 | -19.6 | 0 | 0 | 0 | 0 | 108.4 | E116 | E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 PolarHBondContact O-OG1 3.42Å | ||
| 119 | G | 41.5 | Very low | 68.6 | Low | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 108 | 152.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V117 S121 | V117-G119 PolarHBondContact O-N 3.28Å; G119-S121 PolarHBondContact O-N 2.86Å |
| 120 | N | 47 | Very low | 68.9 | Low | 168 Ų | 168 | 60.7 Ų | 60.7 | 90% | 0.898 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -58.6 | 20.4 | -173.5 | -73.9 | 7.5 | 0 | 0 | 0 | 117.3 | T122 | N120-T122 PolarHBondContact O-N 2.77Š|
| 121 | S | 53 | Low | 69.3 | Low | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -81 | 84.3 | 175.1 | 52.8 | 0 | 0 | 0 | 0 | 110 | G119 D123 | G119-S121 PolarHBondContact O-N 2.86Å; S121-D123 PolarHBondContact O-N 2.79Å | ||
| 122 | T | 57.4 | Low | 69.8 | Low | 80 Ų | 80 | 63.7 Ų | 63.7 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | trans | -72.7 | -4.7 | 168.9 | 47.4 | 0 | 0 | 0 | 0 | 113 | N18 I20 N120 | N18-T122 PolarHBondContact ND2-O 2.71Å; I20-T122 HydrophobicContact CD1-CG2 3.88Å; N120-T122 PolarHBondContact O-N 2.77Å | ||
| 123 | D | 66 | Low | 70.5 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | trans | -82.2 | 135.5 | -169.8 | -63.7 | -11.9 | 0 | 0 | 0 | 111.5 | C64 S121 C163 | C64-D123 WeakPolarHBondContact CA-O 3.31Å; C64-D123 WeakPolarHBondContact CB-O 3.32Å; S121-D123 PolarHBondContact O-N 2.79Å; D123-C163 HydrophobicContact CB-CB 4.26Å; D123-C163 PolarHBondContact OD2-SG 3.06Å | ||
| 124 | T | 70.8 | Confident | 71 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | trans | -87.7 | 131.3 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | D16 N18 L126 A160 Q166 | D16-T124 WeakPolarHBondContact OD1-CG2 3.42Å; N18-T124 HydrophobicContact CB-CG2 3.83Å; T124-L126 PolarHBondContact O-N 2.97Å; T124-A160 HydrophobicContact CG2-CB 3.6Å; T124-Q166 VanDerWaalsContact O-CD 3.26Å; T124-Q166 PolarHBondContact O-NE2 3.2Å; T124-Q166 PolarHBondContact O-OE1 2.83Å | ||
| 125 | L | 78.2 | Confident | 71.9 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | trans | -81.6 | 53.6 | -178.1 | -71.9 | 158.1 | 0 | 0 | 0 | 112.3 | C64 Q65 A127 G128 S129 | C64-L125 WeakPolarHBondContact O-CD1 3.35Å; Q65-L125 VanDerWaalsContact C-CD1 3.45Å; Q65-L125 WeakPolarHBondContact O-CD1 3.5Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.46Å; L125-G128 PolarHBondContact O-N 3.49Å; L125-G128 VanDerWaalsContact O-N 3.13Å; L125-S129 PolarHBondContact O-N 2.05Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 2.95Å | ||
| 126 | L | 83.4 | Confident | 73 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | -174.4 | -179 | 60.5 | 0 | 0 | 0 | 112.4 | V14 T124 G128 S129 L130 V156 F170 | V14-L126 HydrophobicContact CG1-CD1 3.99Å; T124-L126 PolarHBondContact O-N 2.97Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.39Å; L126-S129 PolarHBondContact O-N 3.02Å; L126-L130 HydrophobicContact CD1-CD1 4.38Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.47Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-V156 HydrophobicContact CD1-CG1 3.65Å; L126-V156 HydrophobicContact CD2-CG1 4.18Å; L126-F170 HydrophobicContact CD2-CD2 4.26Å; L126-F170 HydrophobicContact CD2-CE2 3.49Å; L126-F170 VanDerWaalsContact CD2-CE2 3.49Å; L126-F170 HydrophobicContact CD2-CZ 4.1Å; L126-F170 HydrophobicContact CG-CD2 4.32Å; L126-F170 HydrophobicContact CG-CE2 3.83Å |
| 127 | A | 84.9 | Confident | 74.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L125 A131 N169 F170 | L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.46Å; A127-A131 WeakPolarHBondContact O-CB 3Å; A127-A131 PolarHBondContact O-N 3.16Å; A127-N169 HydrophobicContact CB-CB 3.98Å; A127-F170 HydrophobicContact CB-CB 4.32Å |
| 128 | G | 86.1 | Confident | 76.2 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L125 L126 A131 K132 | L125-G128 PolarHBondContact O-N 3.49Å; L125-G128 VanDerWaalsContact O-N 3.13Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.39Å; G128-A131 PolarHBondContact O-N 3.11Å; G128-K132 PolarHBondContact O-N 2.9Å |
| 129 | S | 87.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 112 | S62 S67 L125 L126 K132 A133 | S62-S129 VanDerWaalsContact CB-OG 3.26Å; S62-S129 WeakPolarHBondContact CB-OG 3.46Å; S62-S129 PolarHBondContact OG-OG 2.85Å; S62-S129 VanDerWaalsContact OG-OG 3.05Å; S67-S129 VanDerWaalsContact CB-OG 3.24Å; S67-S129 WeakPolarHBondContact CB-OG 3.26Å; L125-S129 PolarHBondContact O-N 2.05Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 2.95Å; L126-S129 PolarHBondContact O-N 3.02Å; S129-K132 PolarHBondContact O-N 3.29Å; S129-A133 PolarHBondContact O-N 3.23Å |
| 130 | L | 88.6 | Confident | 80.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 175.9 | -73 | 174.4 | 0 | 0 | 0 | 112.5 | V14 L126 K132 A133 L134 I154 V156 F170 V173 | V14-L130 HydrophobicContact CG2-CD2 4.32Å; L126-L130 HydrophobicContact CD1-CD1 4.38Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.47Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L130-K132 VanDerWaalsContact C-N 3.32Å; L130-K132 PolarHBondContact O-N 3.49Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.4Å; L130-I154 HydrophobicContact CD2-CG2 3.78Å; L130-V156 HydrophobicContact CD2-CG2 3.8Å; L130-F170 HydrophobicContact CD1-CD2 3.92Å; L130-F170 HydrophobicContact CD1-CE2 3.4Å; L130-F170 HydrophobicContact CD1-CZ 4.33Å; L130-V173 HydrophobicContact CB-CG1 3.52Å; L130-V173 HydrophobicContact CD1-CG1 4.48Å |
| 131 | A | 89.5 | Confident | 81.9 | Confident | 37 Ų | 37 | 37 Ų | 37 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A127 G128 L134 C135 V173 | A127-A131 WeakPolarHBondContact O-CB 3Å; A127-A131 PolarHBondContact O-N 3.16Å; G128-A131 PolarHBondContact O-N 3.11Å; A131-L134 PolarHBondContact O-N 2.77Å; A131-C135 WeakPolarHBondContact O-CB 3.49Å; A131-C135 PolarHBondContact O-N 2.8Å; A131-C135 PolarHBondContact O-SG 2.88Å; A131-V173 HydrophobicContact CB-CG2 4.15Å |
| 132 | K | 89.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 42.4 Ų | 42.4 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.4 | -78.5 | 179.3 | 179.2 | 167.2 | 0 | 112.1 | I60 S67 F69 G128 S129 L130 C135 Y136 | I60-K132 HydrophobicContact CD1-CB 4.5Å; S67-K132 PolarHBondContact O-NZ 2.78Å; S67-K132 WeakPolarHBondContact OG-CD 3.42Å; S67-K132 WeakPolarHBondContact OG-CE 3.4Å; S67-K132 PolarHBondContact OG-NZ 2.79Å; F69-K132 HydrophobicContact CE2-CB 3.95Å; F69-K132 HydrophobicContact CE2-CD 4.06Å; F69-K132 HydrophobicContact CE2-CG 4.28Å; F69-K132 HydrophobicContact CZ-CB 3.87Å; G128-K132 PolarHBondContact O-N 2.9Å; S129-K132 PolarHBondContact O-N 3.29Å; L130-K132 VanDerWaalsContact C-N 3.32Å; L130-K132 PolarHBondContact O-N 3.49Å; K132-C135 PolarHBondContact O-N 2.77Å; K132-Y136 WeakPolarHBondContact O-CB 3.31Å; K132-Y136 PolarHBondContact O-N 3.42Å |
| 133 | A | 89.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V12 I60 S129 L130 C135 Y136 I137 I154 | V12-A133 HydrophobicContact CG1-CB 3.79Å; I60-A133 HydrophobicContact CD1-CB 3.83Å; S129-A133 PolarHBondContact O-N 3.23Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.33Å; A133-C135 PolarHBondContact O-N 2.94Å; A133-Y136 WeakPolarHBondContact O-CB 3.16Å; A133-Y136 PolarHBondContact O-N 3.37Å; A133-I137 VanDerWaalsContact O-CG1 3.27Å; A133-I137 WeakPolarHBondContact O-CG1 3.48Å; A133-I137 PolarHBondContact O-N 3Å; A133-I154 HydrophobicContact CB-CD1 4.23Å |
| 134 | L | 89.2 | Confident | 85 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 179.2 | -67.2 | 179.8 | 0 | 0 | 0 | 112.4 | L130 A131 Y136 I137 N138 I154 V173 A176 A177 I182 | L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.4Å; A131-L134 PolarHBondContact O-N 2.77Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.2Å; L134-I137 PolarHBondContact O-N 3.21Å; L134-N138 WeakPolarHBondContact O-CB 3.27Å; L134-N138 PolarHBondContact O-N 3.38Å; L134-I154 HydrophobicContact CD2-CD1 3.86Å; L134-V173 HydrophobicContact CD1-CG1 3.67Å; L134-V173 WeakPolarHBondContact CD1-O 3.35Å; L134-A176 HydrophobicContact CD1-CB 4.21Å; L134-A177 HydrophobicContact CD1-CB 4.15Å; L134-A177 HydrophobicContact CD2-CB 3.84Å; L134-I182 HydrophobicContact CD2-CD1 3.61Å |
| 135 | C | 89.1 | Confident | 84.5 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 175 | -73.7 | 0 | 0 | 0 | 0 | 112 | A131 K132 A133 N138 R139 | A131-C135 WeakPolarHBondContact O-CB 3.49Å; A131-C135 PolarHBondContact O-N 2.8Å; A131-C135 PolarHBondContact O-SG 2.88Å; K132-C135 PolarHBondContact O-N 2.77Å; A133-C135 PolarHBondContact O-N 2.94Å; C135-N138 PolarHBondContact O-N 3.01Å; C135-R139 PolarHBondContact O-N 3.42Å |
| 136 | Y | 88.4 | Confident | 83.5 | Confident | 28 Ų | 28 | 56 Ų | 56 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.2 | 178.2 | -97.5 | 0 | 0 | 0 | 111.3 | L10 A58 F69 P72 K132 A133 L134 N138 R139 V140 | L10-Y136 HydrophobicContact CD1-CE1 4.18Å; L10-Y136 HydrophobicContact CD2-CD1 4.18Å; L10-Y136 HydrophobicContact CD2-CE1 3.98Å; A58-Y136 HydrophobicContact CB-CD1 4.1Å; A58-Y136 HydrophobicContact CB-CE1 3.71Å; F69-Y136 HydrophobicContact CE1-CD2 4.33Å; F69-Y136 HydrophobicContact CE1-CG 4.24Å; P72-Y136 HydrophobicContact CG-CE2 3.87Å; K132-Y136 WeakPolarHBondContact O-CB 3.31Å; K132-Y136 PolarHBondContact O-N 3.42Å; A133-Y136 WeakPolarHBondContact O-CB 3.16Å; A133-Y136 PolarHBondContact O-N 3.37Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.2Å; Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.24Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 2.87Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; Y136-V140 HydrophobicContact CD1-CG2 4.18Å; Y136-V140 HydrophobicContact CD2-CG2 4.46Å; Y136-V140 HydrophobicContact CE1-CG2 3.75Å; Y136-V140 HydrophobicContact CE2-CG2 4.08Å; Y136-V140 WeakPolarHBondContact O-CG2 3.43Å; Y136-V140 PolarHBondContact O-N 3.44Å |
| 137 | I | 87.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.8 | -66.7 | 163.6 | 0 | 0 | 0 | 110.5 | L10 V12 A133 L134 R139 V140 S141 S152 I154 I182 | L10-I137 HydrophobicContact CD2-CB 4.43Å; L10-I137 HydrophobicContact CD2-CG1 3.76Å; V12-I137 HydrophobicContact CG2-CD1 3.84Å; V12-I137 HydrophobicContact CG2-CG1 3.84Å; A133-I137 VanDerWaalsContact O-CG1 3.27Å; A133-I137 WeakPolarHBondContact O-CG1 3.48Å; A133-I137 PolarHBondContact O-N 3Å; L134-I137 PolarHBondContact O-N 3.21Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.94Å; I137-V140 PolarHBondContact O-N 3.33Å; I137-S141 VanDerWaalsContact O-CB 3.29Å; I137-S141 WeakPolarHBondContact O-CB 3.3Å; I137-S141 PolarHBondContact O-N 2.68Å; I137-S152 VanDerWaalsContact CG2-OG 3.27Å; I137-S152 WeakPolarHBondContact CG2-OG 3.15Å; I137-I154 HydrophobicContact CD1-CD1 3.93Å; I137-I154 HydrophobicContact CD1-CG1 3.92Å; I137-I182 HydrophobicContact CB-CD1 4.49Å; I137-I182 HydrophobicContact CD1-CD1 3.97Å; I137-I182 HydrophobicContact CD1-CG2 4.41Å; I137-I182 HydrophobicContact CG2-CD1 3.87Å |
| 138 | N | 88.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.9 | -33.9 | 178.9 | -169.7 | 43.9 | 0 | 0 | 0 | 112.9 | L134 C135 Y136 K142 | L134-N138 WeakPolarHBondContact O-CB 3.27Å; L134-N138 PolarHBondContact O-N 3.38Å; C135-N138 PolarHBondContact O-N 3.01Å; Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.24Å; N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.32Å |
| 139 | R | 87.2 | Confident | 80.9 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.6 | -51.8 | 172.8 | -179.6 | 177.8 | 70 | 159.4 | 5.1 | 110.3 | E77 C135 Y136 I137 S141 K142 E143 | E77-R139 IonicContact OE2-NH1 3.8Å; C135-R139 PolarHBondContact O-N 3.42Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 2.87Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.94Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.76Å; R139-K142 WeakPolarHBondContact O-CB 3.46Å; R139-K142 PolarHBondContact O-N 2.96Å; R139-E143 WeakPolarHBondContact CG-OE1 3.15Å; R139-E143 PolarHBondContact O-N 2.85Å; R139-E143 VanDerWaalsContact O-N 3.12Å |
| 140 | V | 83.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | Y136 I137 K142 E143 L144 M150 | Y136-V140 HydrophobicContact CD1-CG2 4.18Å; Y136-V140 HydrophobicContact CD2-CG2 4.46Å; Y136-V140 HydrophobicContact CE1-CG2 3.75Å; Y136-V140 HydrophobicContact CE2-CG2 4.08Å; Y136-V140 WeakPolarHBondContact O-CG2 3.43Å; Y136-V140 PolarHBondContact O-N 3.44Å; I137-V140 PolarHBondContact O-N 3.33Å; V140-K142 PolarHBondContact O-N 3.29Å; V140-E143 PolarHBondContact O-N 2.82Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CD1 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.7Å; V140-M150 HydrophobicContact CB-CE 3.96Å; V140-M150 HydrophobicContact CG1-CE 3.45Å; V140-M150 VanDerWaalsContact CG1-CE 3.45Å; V140-M150 HydrophobicContact CG1-SD 3.99Å |
| 141 | S | 83.3 | Confident | 80 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | I137 R139 | I137-S141 VanDerWaalsContact O-CB 3.29Å; I137-S141 WeakPolarHBondContact O-CB 3.3Å; I137-S141 PolarHBondContact O-N 2.68Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.76Å |
| 142 | K | 83.3 | Confident | 79.7 | Confident | 162 Ų | 162 | 70.7 Ų | 70.7 | 70% | 0.704 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -84.2 | -25.8 | 176.3 | -74 | 178.6 | 179.3 | -173.8 | 0 | 113.7 | N138 R139 V140 L144 | N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.32Å; R139-K142 WeakPolarHBondContact O-CB 3.46Å; R139-K142 PolarHBondContact O-N 2.96Å; V140-K142 PolarHBondContact O-N 3.29Å; K142-L144 VanDerWaalsContact C-N 3.29Å |
| 143 | E | 81.9 | Confident | 79.5 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -77.2 | -17.4 | 177.2 | -72.7 | 169.7 | -175.9 | 0 | 0 | 112.4 | R139 V140 | R139-E143 WeakPolarHBondContact CG-OE1 3.15Å; R139-E143 PolarHBondContact O-N 2.85Å; R139-E143 VanDerWaalsContact O-N 3.12Å; V140-E143 PolarHBondContact O-N 2.82Å |
| 144 | L | 76.2 | Confident | 79.6 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -78.2 | 141.6 | 177.7 | -73.4 | 160.1 | 0 | 0 | 0 | 112 | L8 V140 K142 M150 | L8-L144 HydrophobicContact CD1-CD1 4.36Å; L8-L144 HydrophobicContact CD1-CD2 3.74Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CD1 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.7Å; K142-L144 VanDerWaalsContact C-N 3.29Å; L144-M150 HydrophobicContact CD1-CB 4Å; L144-M150 HydrophobicContact CD1-CG 4.06Å; L144-M150 HydrophobicContact CD1-SD 3.54Å; L144-M150 VanDerWaalsContact CD1-SD 3.54Å |
| 145 | E | 60.1 | Low | 79.5 | Confident | 166 Ų | 166 | 67.9 Ų | 67.9 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | trans | -70.6 | 157 | 179.8 | -65.3 | -175.4 | 172.2 | 0 | 0 | 112.5 | G147 Q148 | E145-G147 PolarHBondContact O-N 2.71Å; E145-Q148 PolarHBondContact O-N 3.2Å | ||
| 146 | V | 56.8 | Low | 79.5 | Confident | 165 Ų | 165 | 63.7 Ų | 63.7 | 100% | 1 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 95.7 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 147 | G | 60.8 | Low | 79.4 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 149.8 | -17 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E145 | E145-G147 PolarHBondContact O-N 2.71Š|
| 148 | Q | 68.7 | Low | 79.3 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | trans | -91.1 | 126 | 176.1 | -74.8 | 178.7 | -13 | 0 | 0 | 111.3 | D6 E145 | D6-Q148 HydrophobicContact CB-CG 4.47Å; E145-Q148 PolarHBondContact O-N 3.2Å | ||
| 149 | E | 69.6 | Low | 79 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.4 | 171.4 | -68.2 | -168.3 | 174.9 | 0 | 0 | 109.1 | L8 | L8-E149 PolarHBondContact N-O 2.72Å; L8-E149 VanDerWaalsContact N-O 3.09Å |
| 150 | M | 76 | Confident | 78.5 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 114 | -179 | -174.2 | -178.3 | -179.4 | 0 | 0 | 110 | L8 L10 V140 L144 S152 | L8-M150 HydrophobicContact CD2-CE 4.11Å; L8-M150 HydrophobicContact CD2-CG 4.04Å; L8-M150 CarbonylContact O-C 3.43Å; L8-M150 WeakPolarHBondContact O-CA 3.37Å; L10-M150 HydrophobicContact CB-CE 3.35Å; L10-M150 HydrophobicContact CD2-CE 3.18Å; L10-M150 HydrophobicContact CG-CE 3.86Å; V140-M150 HydrophobicContact CB-CE 3.96Å; V140-M150 HydrophobicContact CG1-CE 3.45Å; V140-M150 VanDerWaalsContact CG1-CE 3.45Å; V140-M150 HydrophobicContact CG1-SD 3.99Å; L144-M150 HydrophobicContact CD1-CB 4Å; L144-M150 HydrophobicContact CD1-CG 4.06Å; L144-M150 HydrophobicContact CD1-SD 3.54Å; L144-M150 VanDerWaalsContact CD1-SD 3.54Å; M150-S152 WeakPolarHBondContact CE-OG 3.4Å |
| 151 | K | 81.3 | Confident | 78 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113.2 | 170.8 | -70.4 | 174.7 | 179.7 | 163 | 0 | 108.3 | E7 L8 N9 L10 D229 | E7-K151 VanDerWaalsContact CD-NZ 3.29Å; E7-K151 IonicContact OE1-NZ 2.77Å; E7-K151 PolarHBondContact OE1-NZ 2.77Å; E7-K151 IonicContact OE2-NZ 3.96Å; E7-K151 PolarHBondContact OE2-NZ 3.15Å; L8-K151 PolarHBondContact O-N 3.04Å; N9-K151 CarbonylContact C-O 3.51Å; N9-K151 WeakPolarHBondContact CA-O 3.46Å; N9-K151 WeakPolarHBondContact OD1-CB 3.26Å; L10-K151 PolarHBondContact N-O 3.43Å; K151-D229 IonicContact NZ-OD2 2.7Å; K151-D229 PolarHBondContact NZ-OD2 3.25Å |
| 152 | S | 84.2 | Confident | 77.4 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.4 | 178.3 | -61 | 0 | 0 | 0 | 0 | 110.7 | L10 I137 M150 | L10-S152 WeakPolarHBondContact O-CA 3.4Å; I137-S152 VanDerWaalsContact CG2-OG 3.27Å; I137-S152 WeakPolarHBondContact CG2-OG 3.15Å; M150-S152 WeakPolarHBondContact CE-OG 3.4Å |
| 153 | R | 85.1 | Confident | 76.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.5 | 175 | -176.5 | 176.9 | -73.1 | 172.3 | 1.9 | 109.9 | L10 L11 V12 L183 D185 F226 P228 | L10-R153 PolarHBondContact O-N 2.82Å; L11-R153 HydrophobicContact CD1-CB 4.19Å; L11-R153 HydrophobicContact CD1-CG 4.19Å; V12-R153 PolarHBondContact N-O 2.47Å; R153-L183 HydrophobicContact CG-CB 4.43Å; R153-D185 WeakPolarHBondContact CD-OD2 3.27Å; R153-D185 IonicContact NE-OD2 3.66Å; R153-F226 PolarHBondContact NH1-O 2.86Å; R153-P228 PolarHBondContact NH1-O 2.82Å; R153-P228 PolarHBondContact NH2-O 3.45Å |
| 154 | I | 90.1 | Very high | 76 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.3 | 173.7 | -58.3 | 173.5 | 0 | 0 | 0 | 108 | V12 V14 L130 A133 L134 I137 V156 I182 L183 I184 D185 | V12-I154 HydrophobicContact CB-CG1 4.29Å; V12-I154 CarbonylContact O-C 3.58Å; V12-I154 VanDerWaalsContact O-CA 3.3Å; V12-I154 WeakPolarHBondContact O-CA 3.49Å; V14-I154 HydrophobicContact CG2-CG2 4.26Å; L130-I154 HydrophobicContact CD2-CG2 3.78Å; A133-I154 HydrophobicContact CB-CD1 4.23Å; L134-I154 HydrophobicContact CD2-CD1 3.86Å; I137-I154 HydrophobicContact CD1-CD1 3.93Å; I137-I154 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG2-CG2 4.09Å; I154-I182 HydrophobicContact CD1-CG2 3.87Å; I154-I182 HydrophobicContact CG1-CG2 3.83Å; I154-L183 PolarHBondContact N-O 3.47Å; I154-I184 HydrophobicContact CB-CG1 4.3Å; I154-I184 HydrophobicContact CD1-CG1 4.45Å; I154-I184 CarbonylContact O-C 3.55Å; I154-I184 WeakPolarHBondContact O-CA 3.01Å; I154-D185 PolarHBondContact O-N 3.49Å |
| 155 | L | 88.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.4 | 167.4 | 178.4 | 68.8 | 0 | 0 | 0 | 109 | L11 V12 I13 V14 M44 I157 D185 F226 | L11-L155 HydrophobicContact CD1-CB 4.44Å; V12-L155 PolarHBondContact O-N 2.95Å; I13-L155 CarbonylContact C-O 3.59Å; I13-L155 WeakPolarHBondContact CA-O 3.31Å; I13-L155 HydrophobicContact CG2-CD2 4.5Å; V14-L155 PolarHBondContact N-O 3.49Å; M44-L155 HydrophobicContact CE-CD2 3.09Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; L155-I157 HydrophobicContact CD2-CG1 4.29Å; L155-I157 HydrophobicContact CG-CG1 4.32Å; L155-D185 CarbonylContact C-O 3.6Å; L155-D185 WeakPolarHBondContact CA-O 2.91Å; L155-D185 HydrophobicContact CD1-CB 3.73Å; L155-F226 HydrophobicContact CD1-CD1 3.83Å; L155-F226 HydrophobicContact CD1-CE1 3.81Å; L155-F226 HydrophobicContact CD1-CG 4.48Å; L155-F226 HydrophobicContact CD1-CZ 4.41Å |
| 156 | V | 89.1 | Confident | 76.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.6 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | V14 L126 L130 I154 I184 D185 A186 C187 | V14-V156 HydrophobicContact CB-CG2 4.45Å; L126-V156 HydrophobicContact CD1-CG1 3.65Å; L126-V156 HydrophobicContact CD2-CG1 4.18Å; L130-V156 HydrophobicContact CD2-CG2 3.8Å; I154-V156 HydrophobicContact CG2-CG2 4.09Å; V156-I184 HydrophobicContact CG2-CG2 4.07Å; V156-D185 PolarHBondContact N-O 2.89Å; V156-A186 CarbonylContact O-C 3.6Å; V156-A186 WeakPolarHBondContact O-CA 3.41Å; V156-C187 PolarHBondContact O-N 3.24Å |
| 157 | I | 86.7 | Confident | 77.6 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 106.5 | 171.4 | -57.9 | 174.7 | 0 | 0 | 0 | 107.4 | I13 V14 D16 V41 L155 C187 | I13-I157 HydrophobicContact CG2-CD1 4.2Å; V14-I157 PolarHBondContact O-N 3.26Å; D16-I157 VanDerWaalsContact CB-O 3.27Å; D16-I157 WeakPolarHBondContact CB-O 3.1Å; D16-I157 PolarHBondContact N-O 2.73Å; V41-I157 HydrophobicContact CG2-CD1 3.33Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; L155-I157 HydrophobicContact CD2-CG1 4.29Å; L155-I157 HydrophobicContact CG-CG1 4.32Å; I157-C187 CarbonylContact C-O 3.59Å; I157-C187 WeakPolarHBondContact CA-O 3.27Å; I157-C187 HydrophobicContact CG1-CB 4.38Å |
| 158 | K | 86 | Confident | 78.6 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.6 | -176.6 | -178 | 177.8 | 170.9 | 69.9 | 0 | 110.4 | A160 D161 D162 C187 V188 L189 L196 | K158-A160 WeakPolarHBondContact CE-O 3.38Å; K158-A160 WeakPolarHBondContact CG-O 3.19Å; K158-A160 PolarHBondContact NZ-O 2.92Å; K158-D161 PolarHBondContact NZ-O 3.49Å; K158-D162 WeakPolarHBondContact CE-OD1 3.42Å; K158-D162 VanDerWaalsContact CE-OD2 3.27Å; K158-D162 WeakPolarHBondContact CE-OD2 3.34Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 3.28Å; K158-D162 IonicContact NZ-OD2 2.65Å; K158-C187 PolarHBondContact N-O 3.25Å; K158-V188 HydrophobicContact CB-CG2 4.37Å; K158-L189 PolarHBondContact O-N 3.25Å; K158-L196 HydrophobicContact CB-CD2 4.18Å; K158-L196 HydrophobicContact CD-CD2 3.91Å |
| 159 | A | 80.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | trans | -108.4 | -47.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D16 W21 W22 L189 | D16-A159 HydrophobicContact CB-CB 4.09Å; D16-A159 PolarHBondContact OD2-N 3.12Å; W21-A159 HydrophobicContact CD2-CB 4.02Å; W21-A159 VanDerWaalsContact CE2-O 3.25Å; W21-A159 HydrophobicContact CE3-CB 3.62Å; W21-A159 HydrophobicContact CH2-CB 4.27Å; W21-A159 HydrophobicContact CZ3-CB 3.74Å; W21-A159 PolarHBondContact NE1-O 3.49Å; W22-A159 HydrophobicContact CZ2-CB 4.36Å; A159-L189 HydrophobicContact CB-CD1 3.75Å | ||
| 160 | A | 76.7 | Confident | 80.1 | Confident | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -88.6 | 166.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D16 N18 W21 T124 K158 | D16-A160 PolarHBondContact OD2-N 2.85Å; N18-A160 HydrophobicContact CB-CB 4.2Å; N18-A160 WeakPolarHBondContact ND2-CB 3.18Å; W21-A160 HydrophobicContact CB-CB 4.36Å; T124-A160 HydrophobicContact CG2-CB 3.6Å; K158-A160 WeakPolarHBondContact CE-O 3.38Å; K158-A160 WeakPolarHBondContact CG-O 3.19Å; K158-A160 PolarHBondContact NZ-O 2.92Å |
| 161 | D | 73.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 162.2 | 175.3 | -65.9 | -35.7 | 0 | 0 | 0 | 112.7 | K158 S191 | K158-D161 PolarHBondContact NZ-O 3.49Å; D161-S191 WeakPolarHBondContact OD1-CB 2.93Å; D161-S191 PolarHBondContact OD1-OG 3.43Å |
| 162 | D | 70.9 | Confident | 81 | Confident | 57 Ų | 57 | 40.5 Ų | 40.5 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -86.3 | 142.3 | 175.2 | -67.4 | -62.2 | 0 | 0 | 0 | 113.1 | K158 S193 | K158-D162 WeakPolarHBondContact CE-OD1 3.42Å; K158-D162 VanDerWaalsContact CE-OD2 3.27Å; K158-D162 WeakPolarHBondContact CE-OD2 3.34Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 3.28Å; K158-D162 IonicContact NZ-OD2 2.65Å; D162-S193 WeakPolarHBondContact OD2-CB 3.39Å; D162-S193 PolarHBondContact OD2-OG 3.04Å |
| 163 | C | 68.6 | Low | 81.3 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -100 | 124.7 | 168.1 | -175.1 | 0 | 0 | 0 | 0 | 111 | D123 L165 Q166 | D123-C163 HydrophobicContact CB-CB 4.26Å; D123-C163 PolarHBondContact OD2-SG 3.06Å; C163-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 VanDerWaalsContact SG-CB 3.59Å; C163-Q166 PolarHBondContact O-N 3.35Å; C163-Q166 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 67.9 | Low | 81.6 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -60.5 | -20.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q166 Y167 | A164-Q166 PolarHBondContact O-N 2.95Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.65Å |
| 165 | L | 71.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 44.4 Ų | 44.4 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -61.4 | -33.4 | 174.8 | -73.6 | 167 | 0 | 0 | 0 | 112.4 | C163 Y167 | C163-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 VanDerWaalsContact SG-CB 3.59Å; L165-Y167 VanDerWaalsContact C-N 3.34Å |
| 166 | Q | 74.9 | Confident | 81.6 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -87.9 | -4.1 | -174 | -60.3 | -170.7 | 16.7 | 0 | 0 | 113.4 | T124 C163 A164 M168 N169 F170 | T124-Q166 VanDerWaalsContact O-CD 3.26Å; T124-Q166 PolarHBondContact O-NE2 3.2Å; T124-Q166 PolarHBondContact O-OE1 2.83Å; C163-Q166 PolarHBondContact O-N 3.35Å; C163-Q166 VanDerWaalsContact O-N 3.08Å; A164-Q166 PolarHBondContact O-N 2.95Å; Q166-M168 VanDerWaalsContact C-N 3.34Å; Q166-M168 PolarHBondContact O-N 3.38Å; Q166-N169 PolarHBondContact O-N 3.01Å; Q166-F170 VanDerWaalsContact O-CB 3.27Å; Q166-F170 WeakPolarHBondContact O-CB 3.3Å; Q166-F170 PolarHBondContact O-N 3.08Å |
| 167 | Y | 79.1 | Confident | 81.7 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -50.2 | -49.4 | -175.7 | 174.3 | -95.1 | 0 | 0 | 0 | 113.2 | A164 L165 F170 M171 L195 | A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.65Å; L165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-F170 PolarHBondContact O-N 3.09Å; Y167-M171 HydrophobicContact CD2-CE 4.37Å; Y167-M171 HydrophobicContact CD2-CG 4.28Å; Y167-M171 HydrophobicContact CE1-CG 4.11Å; Y167-M171 HydrophobicContact CE2-CE 3.56Å; Y167-M171 HydrophobicContact CE2-CG 3.86Å; Y167-M171 WeakPolarHBondContact O-CB 3.39Å; Y167-M171 WeakPolarHBondContact O-CG 3.28Å; Y167-M171 PolarHBondContact O-N 2.8Å; Y167-L195 HydrophobicContact CD2-CD1 4.43Å; Y167-L195 HydrophobicContact CD2-CD2 3.63Å; Y167-L195 HydrophobicContact CD2-CG 3.79Å; Y167-L195 HydrophobicContact CE2-CG 4.35Å; Y167-L195 HydrophobicContact CG-CD2 4.35Å |
| 168 | M | 82 | Confident | 81.8 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | -178.1 | -76.3 | -175.2 | -86.3 | 0 | 0 | 112.2 | Q166 F170 M171 N172 F251 | Q166-M168 VanDerWaalsContact C-N 3.34Å; Q166-M168 PolarHBondContact O-N 3.38Å; M168-F170 VanDerWaalsContact C-N 3.31Å; M168-F170 PolarHBondContact O-N 3.28Å; M168-M171 PolarHBondContact O-N 2.84Å; M168-N172 PolarHBondContact O-N 2.95Å; M168-N172 PolarHBondContact O-ND2 2.79Å; M168-F251 HydrophobicContact CE-CD1 4.5Å; M168-F251 HydrophobicContact CE-CE1 3.44Å; M168-F251 VanDerWaalsContact CE-CE1 3.44Å; M168-F251 HydrophobicContact CE-CZ 3.94Å; M168-F251 HydrophobicContact CG-CZ 4.28Å; M168-F251 HydrophobicContact SD-CE1 3.63Å; M168-F251 HydrophobicContact SD-CZ 3.54Å; M168-F251 VanDerWaalsContact SD-CZ 3.54Å |
| 169 | N | 84.6 | Confident | 82 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -178.9 | -66 | -15 | 0 | 0 | 0 | 110.7 | A127 Q166 V173 | A127-N169 HydrophobicContact CB-CB 3.98Å; Q166-N169 PolarHBondContact O-N 3.01Å; N169-V173 VanDerWaalsContact O-CG2 3.26Å; N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3.35Å |
| 170 | F | 85.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 177.2 | -172.1 | -110 | 0 | 0 | 0 | 111.8 | L126 A127 L130 Q166 Y167 M168 N172 V173 I174 L195 L196 A199 | L126-F170 HydrophobicContact CD2-CD2 4.26Å; L126-F170 HydrophobicContact CD2-CE2 3.49Å; L126-F170 VanDerWaalsContact CD2-CE2 3.49Å; L126-F170 HydrophobicContact CD2-CZ 4.1Å; L126-F170 HydrophobicContact CG-CD2 4.32Å; L126-F170 HydrophobicContact CG-CE2 3.83Å; A127-F170 HydrophobicContact CB-CB 4.32Å; L130-F170 HydrophobicContact CD1-CD2 3.92Å; L130-F170 HydrophobicContact CD1-CE2 3.4Å; L130-F170 HydrophobicContact CD1-CZ 4.33Å; Q166-F170 VanDerWaalsContact O-CB 3.27Å; Q166-F170 WeakPolarHBondContact O-CB 3.3Å; Q166-F170 PolarHBondContact O-N 3.08Å; Y167-F170 PolarHBondContact O-N 3.09Å; M168-F170 VanDerWaalsContact C-N 3.31Å; M168-F170 PolarHBondContact O-N 3.28Å; F170-N172 PolarHBondContact O-N 2.85Å; F170-V173 PolarHBondContact O-N 2.97Å; F170-I174 HydrophobicContact CD1-CD1 3.43Å; F170-I174 VanDerWaalsContact CD1-CD1 3.43Å; F170-I174 HydrophobicContact CE1-CD1 3.27Å; F170-I174 HydrophobicContact CE1-CG1 4.39Å; F170-I174 HydrophobicContact CE2-CD1 4.44Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.8Å; F170-I174 WeakPolarHBondContact O-CG1 2.98Å; F170-I174 PolarHBondContact O-N 3.34Å; F170-L195 HydrophobicContact CD1-CB 4.25Å; F170-L195 HydrophobicContact CD1-CD2 4.23Å; F170-L195 HydrophobicContact CE1-CB 4.06Å; F170-L196 HydrophobicContact CZ-CD1 3.75Å; F170-A199 HydrophobicContact CE1-CB 4.06Å; F170-A199 HydrophobicContact CZ-CB 4.18Å |
| 171 | M | 88 | Confident | 82.5 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 6% | 0.064 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.6 | -77.1 | -62.1 | 176.4 | 0 | 0 | 112.9 | Y167 M168 V173 I174 F175 Q198 I202 | Y167-M171 HydrophobicContact CD2-CE 4.37Å; Y167-M171 HydrophobicContact CD2-CG 4.28Å; Y167-M171 HydrophobicContact CE1-CG 4.11Å; Y167-M171 HydrophobicContact CE2-CE 3.56Å; Y167-M171 HydrophobicContact CE2-CG 3.86Å; Y167-M171 WeakPolarHBondContact O-CB 3.39Å; Y167-M171 WeakPolarHBondContact O-CG 3.28Å; Y167-M171 PolarHBondContact O-N 2.8Å; M168-M171 PolarHBondContact O-N 2.84Å; M171-V173 PolarHBondContact O-N 3.25Å; M171-I174 PolarHBondContact O-N 2.95Å; M171-I174 VanDerWaalsContact O-N 3.16Å; M171-I174 HydrophobicContact SD-CD1 4.16Å; M171-F175 HydrophobicContact CB-CD2 4.46Å; M171-F175 HydrophobicContact CB-CE2 4.26Å; M171-F175 WeakPolarHBondContact O-CD2 3.37Å; M171-F175 PolarHBondContact O-N 3.24Å; M171-Q198 HydrophobicContact CE-CB 3.87Å; M171-Q198 HydrophobicContact CE-CG 4.48Å; M171-I202 HydrophobicContact SD-CD1 4.33Å |
| 172 | N | 88.9 | Confident | 83.1 | Confident | 109 Ų | 109 | 65.5 Ų | 65.5 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.5 | -38.4 | 176.8 | -70.8 | -18.6 | 0 | 0 | 0 | 112.2 | M168 F170 A176 | M168-N172 PolarHBondContact O-N 2.95Å; M168-N172 PolarHBondContact O-ND2 2.79Å; F170-N172 PolarHBondContact O-N 2.85Å; N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.81Å |
| 173 | V | 90.2 | Very high | 83.8 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L130 A131 L134 N169 F170 M171 A176 A177 | L130-V173 HydrophobicContact CB-CG1 3.52Å; L130-V173 HydrophobicContact CD1-CG1 4.48Å; A131-V173 HydrophobicContact CB-CG2 4.15Å; L134-V173 HydrophobicContact CD1-CG1 3.67Å; L134-V173 WeakPolarHBondContact CD1-O 3.35Å; N169-V173 VanDerWaalsContact O-CG2 3.26Å; N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3.35Å; F170-V173 PolarHBondContact O-N 2.97Å; M171-V173 PolarHBondContact O-N 3.25Å; V173-A176 WeakPolarHBondContact O-CB 3.2Å; V173-A176 PolarHBondContact O-N 3.32Å; V173-A177 PolarHBondContact O-N 3.34Å |
| 174 | I | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176.6 | -65.9 | 158.7 | 0 | 0 | 0 | 111.3 | F170 M171 A176 A177 Q178 A199 I202 T203 | F170-I174 HydrophobicContact CD1-CD1 3.43Å; F170-I174 VanDerWaalsContact CD1-CD1 3.43Å; F170-I174 HydrophobicContact CE1-CD1 3.27Å; F170-I174 HydrophobicContact CE1-CG1 4.39Å; F170-I174 HydrophobicContact CE2-CD1 4.44Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.8Å; F170-I174 WeakPolarHBondContact O-CG1 2.98Å; F170-I174 PolarHBondContact O-N 3.34Å; M171-I174 PolarHBondContact O-N 2.95Å; M171-I174 VanDerWaalsContact O-N 3.16Å; M171-I174 HydrophobicContact SD-CD1 4.16Å; I174-A176 PolarHBondContact O-N 2.92Å; I174-A177 WeakPolarHBondContact O-CB 3.05Å; I174-A177 PolarHBondContact O-N 3.38Å; I174-A177 VanDerWaalsContact O-N 3.1Å; I174-Q178 PolarHBondContact O-N 2.78Å; I174-A199 HydrophobicContact CD1-CB 3.27Å; I174-A199 HydrophobicContact CG1-CB 3.87Å; I174-A199 HydrophobicContact CG2-CB 4.37Å; I174-I202 HydrophobicContact CG2-CB 4.04Å; I174-I202 HydrophobicContact CG2-CD1 4.29Å; I174-I202 HydrophobicContact CG2-CG2 3.81Å; I174-T203 HydrophobicContact CG2-CG2 4.06Å |
| 175 | F | 89.9 | Confident | 85.6 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 175.9 | -72.8 | -58.6 | 0 | 0 | 0 | 111.9 | M171 K179 I202 | M171-F175 HydrophobicContact CB-CD2 4.46Å; M171-F175 HydrophobicContact CB-CE2 4.26Å; M171-F175 WeakPolarHBondContact O-CD2 3.37Å; M171-F175 PolarHBondContact O-N 3.24Å; F175-K179 PolarHBondContact O-N 3.32Å; F175-I202 HydrophobicContact CD1-CG2 4.36Å; F175-I202 HydrophobicContact CE1-CD1 4.22Å; F175-I202 HydrophobicContact CE1-CG2 4.32Å; F175-I202 HydrophobicContact CZ-CD1 4.25Å |
| 176 | A | 89.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L134 N172 V173 I174 K179 Q180 | L134-A176 HydrophobicContact CD1-CB 4.21Å; N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.81Å; V173-A176 WeakPolarHBondContact O-CB 3.2Å; V173-A176 PolarHBondContact O-N 3.32Å; I174-A176 PolarHBondContact O-N 2.92Å; A176-K179 PolarHBondContact O-N 3.15Å; A176-Q180 PolarHBondContact O-N 3.13Å; A176-Q180 VanDerWaalsContact O-N 3.12Å |
| 177 | A | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L134 V173 I174 K179 Q180 N181 I182 I184 | L134-A177 HydrophobicContact CD1-CB 4.15Å; L134-A177 HydrophobicContact CD2-CB 3.84Å; V173-A177 PolarHBondContact O-N 3.34Å; I174-A177 WeakPolarHBondContact O-CB 3.05Å; I174-A177 PolarHBondContact O-N 3.38Å; I174-A177 VanDerWaalsContact O-N 3.1Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.01Å; A177-Q180 CarbonylContact O-C 3.58Å; A177-Q180 WeakPolarHBondContact O-CA 3.19Å; A177-Q180 PolarHBondContact O-N 2.98Å; A177-Q180 VanDerWaalsContact O-N 3.1Å; A177-N181 PolarHBondContact O-N 2.8Å; A177-I182 PolarHBondContact O-N 3.21Å; A177-I182 VanDerWaalsContact O-N 3.07Å; A177-I184 HydrophobicContact CB-CD1 3.82Å; A177-I184 HydrophobicContact CB-CG1 4.46Å |
| 178 | Q | 90.2 | Very high | 86.8 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.7 | -171.4 | -172.7 | 19.6 | 0 | 0 | 111.2 | I174 Q180 N181 I202 | I174-Q178 PolarHBondContact O-N 2.78Å; Q178-Q180 PolarHBondContact O-N 3.06Å; Q178-N181 PolarHBondContact O-N 2.65Å; Q178-I202 HydrophobicContact CB-CG2 4.15Å; Q178-I202 VanDerWaalsContact CD-CG2 3.47Å; Q178-I202 HydrophobicContact CG-CG2 4.15Å; Q178-I202 PolarHBondContact NE2-O 2.82Å; Q178-I202 VanDerWaalsContact OE1-CG2 3.24Å |
| 179 | K | 88.9 | Confident | 86.6 | Confident | 193 Ų | 193 | 46.2 Ų | 46.2 | 84% | 0.839 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -29.9 | 176.2 | -171.8 | 175.1 | -178.9 | 178.8 | 0 | 112.8 | F175 A176 A177 N181 | F175-K179 PolarHBondContact O-N 3.32Å; A176-K179 PolarHBondContact O-N 3.15Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.01Å; K179-N181 VanDerWaalsContact C-N 3.27Å |
| 180 | Q | 83.4 | Confident | 86 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1 | 173.1 | -67.9 | -167 | -34.7 | 0 | 0 | 113.3 | A176 A177 Q178 I182 | A176-Q180 PolarHBondContact O-N 3.13Å; A176-Q180 VanDerWaalsContact O-N 3.12Å; A177-Q180 CarbonylContact O-C 3.58Å; A177-Q180 WeakPolarHBondContact O-CA 3.19Å; A177-Q180 PolarHBondContact O-N 2.98Å; A177-Q180 VanDerWaalsContact O-N 3.1Å; Q178-Q180 PolarHBondContact O-N 3.06Å; Q180-I182 VanDerWaalsContact C-N 3.27Å; Q180-I182 HydrophobicContact CB-CD1 3.67Å; Q180-I182 HydrophobicContact CB-CG1 3.95Å; Q180-I182 PolarHBondContact O-N 3.13Å |
| 181 | N | 84.1 | Confident | 85.6 | Confident | 144 Ų | 144 | 45.6 Ų | 45.6 | 77% | 0.77 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 39.4 | -178.1 | -162.6 | 48.3 | 0 | 0 | 0 | 113.3 | A177 Q178 K179 | A177-N181 PolarHBondContact O-N 2.8Å; Q178-N181 PolarHBondContact O-N 2.65Å; K179-N181 VanDerWaalsContact C-N 3.27Å |
| 182 | I | 85.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | trans | -97.3 | 127.7 | 178.7 | -61.5 | 165.9 | 0 | 0 | 0 | 108.9 | L134 I137 I154 A177 Q180 | L134-I182 HydrophobicContact CD2-CD1 3.61Å; I137-I182 HydrophobicContact CB-CD1 4.49Å; I137-I182 HydrophobicContact CD1-CD1 3.97Å; I137-I182 HydrophobicContact CD1-CG2 4.41Å; I137-I182 HydrophobicContact CG2-CD1 3.87Å; I154-I182 HydrophobicContact CD1-CG2 3.87Å; I154-I182 HydrophobicContact CG1-CG2 3.83Å; A177-I182 PolarHBondContact O-N 3.21Å; A177-I182 VanDerWaalsContact O-N 3.07Å; Q180-I182 VanDerWaalsContact C-N 3.27Å; Q180-I182 HydrophobicContact CB-CD1 3.67Å; Q180-I182 HydrophobicContact CB-CG1 3.95Å; Q180-I182 PolarHBondContact O-N 3.13Å | ||
| 183 | L | 85.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.3 | 176.4 | -62.9 | 169.9 | 0 | 0 | 0 | 110.3 | R153 I154 T203 | R153-L183 HydrophobicContact CG-CB 4.43Å; I154-L183 PolarHBondContact N-O 3.47Å; L183-T203 WeakPolarHBondContact CD2-O 3.43Å |
| 184 | I | 87.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108.7 | 173.8 | -56.7 | -179.6 | 0 | 0 | 0 | 109.3 | I154 V156 A177 C200 T203 G205 | I154-I184 HydrophobicContact CB-CG1 4.3Å; I154-I184 HydrophobicContact CD1-CG1 4.45Å; I154-I184 CarbonylContact O-C 3.55Å; I154-I184 WeakPolarHBondContact O-CA 3.01Å; V156-I184 HydrophobicContact CG2-CG2 4.07Å; A177-I184 HydrophobicContact CB-CD1 3.82Å; A177-I184 HydrophobicContact CB-CG1 4.46Å; I184-C200 PolarHBondContact O-SG 3.19Å; I184-T203 HydrophobicContact CB-CG2 4.24Å; I184-T203 HydrophobicContact CD1-CG2 3.95Å; I184-T203 HydrophobicContact CG1-CG2 3.95Å; I184-T203 PolarHBondContact N-OG1 3.29Å; I184-G205 WeakPolarHBondContact O-CA 3.49Å |
| 185 | D | 86.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.2 | 171.1 | -80.2 | -25.6 | 0 | 0 | 0 | 109.5 | R153 I154 L155 V156 L206 F226 R233 | R153-D185 WeakPolarHBondContact CD-OD2 3.27Å; R153-D185 IonicContact NE-OD2 3.66Å; I154-D185 PolarHBondContact O-N 3.49Å; L155-D185 CarbonylContact C-O 3.6Å; L155-D185 WeakPolarHBondContact CA-O 2.91Å; L155-D185 HydrophobicContact CD1-CB 3.73Å; V156-D185 PolarHBondContact N-O 2.89Å; D185-L206 PolarHBondContact OD1-N 2.81Å; D185-F226 HydrophobicContact CB-CD1 3.97Å; D185-F226 HydrophobicContact CB-CE1 3.75Å; D185-R233 IonicContact OD1-CZ 3.58Å; D185-R233 IonicContact OD1-NH1 3.27Å; D185-R233 PolarHBondContact OD1-NH1 3.15Å; D185-R233 IonicContact OD1-NH2 3.62Å; D185-R233 PolarHBondContact OD1-NH2 2.99Å; D185-R233 IonicContact OD2-CZ 2.85Å; D185-R233 IonicContact OD2-NH1 3.5Å; D185-R233 PolarHBondContact OD2-NH1 3.4Å; D185-R233 IonicContact OD2-NH2 3.66Å; D185-R233 PolarHBondContact OD2-NH2 3.17Å |
| 186 | A | 85.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V156 L196 C200 L206 Y207 L208 | V156-A186 CarbonylContact O-C 3.6Å; V156-A186 WeakPolarHBondContact O-CA 3.41Å; A186-L196 HydrophobicContact CB-CD1 3.91Å; A186-L196 HydrophobicContact CB-CD2 3.49Å; A186-L196 VanDerWaalsContact CB-CD2 3.49Å; A186-L196 HydrophobicContact CB-CG 3.42Å; A186-L196 VanDerWaalsContact CB-CG 3.42Å; A186-C200 WeakPolarHBondContact CB-SG 3.24Å; A186-L206 PolarHBondContact N-O 3.14Å; A186-Y207 HydrophobicContact CB-CD2 4.05Å; A186-L208 PolarHBondContact O-N 3.24Å |
| 187 | C | 83.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.5 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 109 | V156 I157 K158 L208 I210 | V156-C187 PolarHBondContact O-N 3.24Å; I157-C187 CarbonylContact C-O 3.59Å; I157-C187 WeakPolarHBondContact CA-O 3.27Å; I157-C187 HydrophobicContact CG1-CB 4.38Å; K158-C187 PolarHBondContact N-O 3.25Å; C187-L208 WeakPolarHBondContact CA-O 3.24Å; C187-I210 WeakPolarHBondContact SG-CD1 3.48Å |
| 188 | V | 84 | Confident | 82.2 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.5 | -174.6 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | K158 S191 L196 Y207 L208 I210 | K158-V188 HydrophobicContact CB-CG2 4.37Å; V188-S191 WeakPolarHBondContact CG1-O 3.5Å; V188-L196 HydrophobicContact CG2-CD2 3.71Å; V188-Y207 HydrophobicContact CB-CE2 4.48Å; V188-Y207 HydrophobicContact CG2-CD2 4.36Å; V188-Y207 HydrophobicContact CG2-CE2 3.43Å; V188-Y207 VanDerWaalsContact CG2-CE2 3.43Å; V188-L208 PolarHBondContact N-O 2.92Å; V188-I210 PolarHBondContact O-N 2.92Å |
| 189 | L | 76.7 | Confident | 82 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -86.8 | -32.3 | -175.1 | -62.5 | -179.5 | 0 | 0 | 0 | 115 | W21 W22 F32 K158 A159 I210 K213 L216 | W21-L189 HydrophobicContact CH2-CB 4.01Å; W21-L189 HydrophobicContact CH2-CD1 3.77Å; W21-L189 HydrophobicContact CZ2-CB 4.33Å; W21-L189 HydrophobicContact CZ3-CD1 3.94Å; W22-L189 HydrophobicContact CH2-CD1 3.98Å; W22-L189 HydrophobicContact CZ2-CD1 4.07Å; F32-L189 HydrophobicContact CE1-CD1 4.26Å; F32-L189 HydrophobicContact CZ-CD2 4.45Å; K158-L189 PolarHBondContact O-N 3.25Å; A159-L189 HydrophobicContact CB-CD1 3.75Å; L189-I210 HydrophobicContact CD2-CD1 3.6Å; L189-K213 WeakPolarHBondContact O-CE 3.09Å; L189-L216 HydrophobicContact CD2-CD1 3.25Å |
| 190 | D | 73.1 | Confident | 81.7 | Confident | 53 Ų | 53 | 28 Ų | 28 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -136.7 | -75 | -168.3 | -144.5 | 32.8 | 0 | 0 | 0 | 111.6 | W21 K209 K213 | W21-D190 HydrophobicContact CZ2-CB 3.88Å; D190-K209 WeakPolarHBondContact O-CE 3.35Å; D190-K213 WeakPolarHBondContact OD1-CE 3.35Å; D190-K213 IonicContact OD1-NZ 3.67Å; D190-K213 PolarHBondContact OD1-NZ 3.32Å |
| 191 | S | 75.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -97.4 | 128.8 | -173.3 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | D161 V188 S193 | D161-S191 WeakPolarHBondContact OD1-CB 2.93Å; D161-S191 PolarHBondContact OD1-OG 3.43Å; V188-S191 WeakPolarHBondContact CG1-O 3.5Å; S191-S193 PolarHBondContact O-N 3.33Å |
| 192 | D | 74.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 22.5 Ų | 22.5 | 42% | 0.417 | 13% | 0.132 | S | C | . | . | trans | -62.8 | 135.8 | 175.3 | -75 | -52.3 | 0 | 0 | 0 | 112.2 | Y207 K209 | D192-Y207 VanDerWaalsContact CA-OH 3.28Å; D192-Y207 WeakPolarHBondContact CA-OH 2.96Å; D192-Y207 PolarHBondContact OD1-OH 2.74Å; D192-K209 VanDerWaalsContact OD1-CD 3.3Å; D192-K209 WeakPolarHBondContact OD1-CD 3.28Å; D192-K209 IonicContact OD1-NZ 3.55Å; D192-K209 WeakPolarHBondContact OD2-CD 3.39Å; D192-K209 WeakPolarHBondContact OD2-CE 3.4Å; D192-K209 IonicContact OD2-NZ 2.77Å; D192-K209 PolarHBondContact OD2-NZ 3.35Å | ||
| 193 | S | 75.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | trans | -108 | 111.7 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | D162 S191 L195 L196 Q197 Y207 | D162-S193 WeakPolarHBondContact OD2-CB 3.39Å; D162-S193 PolarHBondContact OD2-OG 3.04Å; S191-S193 PolarHBondContact O-N 3.33Å; S193-L195 VanDerWaalsContact C-N 3.25Å; S193-L195 PolarHBondContact O-N 2.62Å; S193-L195 PolarHBondContact OG-N 3.26Å; S193-L196 PolarHBondContact O-N 3.45Å; S193-L196 VanDerWaalsContact OG-CB 3.32Å; S193-L196 WeakPolarHBondContact OG-CB 3.3Å; S193-L196 PolarHBondContact OG-N 2.87Å; S193-Q197 VanDerWaalsContact O-CG 3.27Å; S193-Q197 WeakPolarHBondContact O-CG 3.38Å; S193-Q197 PolarHBondContact O-N 3.49Å; S193-Y207 PolarHBondContact N-OH 2.79Å | ||
| 194 | G | 78.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 24 Ų | 24 | 42% | 0.423 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -33.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q198 | G194-Q198 WeakPolarHBondContact O-CG 3.45Å; G194-Q198 PolarHBondContact O-N 3.43Å |
| 195 | L | 80.8 | Confident | 80.9 | Confident | 36 Ų | 36 | 24.9 Ų | 24.9 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.2 | -78.9 | 76.8 | 0 | 0 | 0 | 111.5 | Y167 F170 S193 Q198 A199 | Y167-L195 HydrophobicContact CD2-CD1 4.43Å; Y167-L195 HydrophobicContact CD2-CD2 3.63Å; Y167-L195 HydrophobicContact CD2-CG 3.79Å; Y167-L195 HydrophobicContact CE2-CG 4.35Å; Y167-L195 HydrophobicContact CG-CD2 4.35Å; F170-L195 HydrophobicContact CD1-CB 4.25Å; F170-L195 HydrophobicContact CD1-CD2 4.23Å; F170-L195 HydrophobicContact CE1-CB 4.06Å; S193-L195 VanDerWaalsContact C-N 3.25Å; S193-L195 PolarHBondContact O-N 2.62Å; S193-L195 PolarHBondContact OG-N 3.26Å; L195-Q198 WeakPolarHBondContact O-CB 3.39Å; L195-Q198 PolarHBondContact O-N 3.06Å; L195-A199 PolarHBondContact O-N 3.24Å |
| 196 | L | 82.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.2 | -32.7 | -177.9 | -163.2 | 62.3 | 0 | 0 | 0 | 111.2 | K158 F170 A186 V188 S193 A199 C200 Y207 | K158-L196 HydrophobicContact CB-CD2 4.18Å; K158-L196 HydrophobicContact CD-CD2 3.91Å; F170-L196 HydrophobicContact CZ-CD1 3.75Å; A186-L196 HydrophobicContact CB-CD1 3.91Å; A186-L196 HydrophobicContact CB-CD2 3.49Å; A186-L196 VanDerWaalsContact CB-CD2 3.49Å; A186-L196 HydrophobicContact CB-CG 3.42Å; A186-L196 VanDerWaalsContact CB-CG 3.42Å; V188-L196 HydrophobicContact CG2-CD2 3.71Å; S193-L196 PolarHBondContact O-N 3.45Å; S193-L196 VanDerWaalsContact OG-CB 3.32Å; S193-L196 WeakPolarHBondContact OG-CB 3.3Å; S193-L196 PolarHBondContact OG-N 2.87Å; L196-A199 HydrophobicContact CD1-CB 4.4Å; L196-A199 VanDerWaalsContact O-CB 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.33Å; L196-A199 PolarHBondContact O-N 3.33Å; L196-C200 PolarHBondContact O-N 2.77Å; L196-C200 PolarHBondContact O-SG 3Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; L196-Y207 HydrophobicContact CB-CD2 4.43Å; L196-Y207 HydrophobicContact CB-CE2 4.19Å; L196-Y207 HydrophobicContact CD2-CE2 4.26Å; L196-Y207 HydrophobicContact CG-CD2 4.34Å; L196-Y207 HydrophobicContact CG-CE2 4.36Å |
| 197 | Q | 82.8 | Confident | 80.4 | Confident | 34 Ų | 34 | 27.5 Ų | 27.5 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 168.9 | -72.8 | 172 | 15.8 | 0 | 0 | 111.5 | S193 A199 C200 D201 Y207 V244 | S193-Q197 VanDerWaalsContact O-CG 3.27Å; S193-Q197 WeakPolarHBondContact O-CG 3.38Å; S193-Q197 PolarHBondContact O-N 3.49Å; Q197-A199 VanDerWaalsContact C-N 3.27Å; Q197-A199 PolarHBondContact O-N 3.18Å; Q197-C200 PolarHBondContact O-N 2.95Å; Q197-D201 PolarHBondContact O-N 3.41Å; Q197-Y207 HydrophobicContact CG-CD1 3.81Å; Q197-Y207 HydrophobicContact CG-CD2 3.73Å; Q197-Y207 HydrophobicContact CG-CE1 3.82Å; Q197-Y207 HydrophobicContact CG-CE2 3.72Å; Q197-Y207 HydrophobicContact CG-CG 3.77Å; Q197-V244 HydrophobicContact CB-CG1 4.12Å; Q197-V244 HydrophobicContact CB-CG2 3.97Å |
| 198 | Q | 82.9 | Confident | 80.1 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 172.7 | -70.4 | 172.2 | -16.3 | 0 | 0 | 111.7 | M171 G194 L195 D201 I202 V244 D245 Y246 | M171-Q198 HydrophobicContact CE-CB 3.87Å; M171-Q198 HydrophobicContact CE-CG 4.48Å; G194-Q198 WeakPolarHBondContact O-CG 3.45Å; G194-Q198 PolarHBondContact O-N 3.43Å; L195-Q198 WeakPolarHBondContact O-CB 3.39Å; L195-Q198 PolarHBondContact O-N 3.06Å; Q198-D201 PolarHBondContact O-N 3.11Å; Q198-I202 WeakPolarHBondContact O-CB 3.36Å; Q198-I202 WeakPolarHBondContact O-CD1 3.44Å; Q198-I202 WeakPolarHBondContact O-CG1 3.37Å; Q198-I202 PolarHBondContact O-N 3.44Å; Q198-V244 HydrophobicContact CB-CG1 4.08Å; Q198-V244 HydrophobicContact CG-CG1 3.23Å; Q198-D245 PolarHBondContact NE2-O 3.34Å; Q198-Y246 HydrophobicContact CG-CD1 4.34Å; Q198-Y246 HydrophobicContact CG-CE1 4.34Å |
| 199 | A | 84.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F170 I174 L195 L196 Q197 T203 | F170-A199 HydrophobicContact CE1-CB 4.06Å; F170-A199 HydrophobicContact CZ-CB 4.18Å; I174-A199 HydrophobicContact CD1-CB 3.27Å; I174-A199 HydrophobicContact CG1-CB 3.87Å; I174-A199 HydrophobicContact CG2-CB 4.37Å; L195-A199 PolarHBondContact O-N 3.24Å; L196-A199 HydrophobicContact CD1-CB 4.4Å; L196-A199 VanDerWaalsContact O-CB 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.33Å; L196-A199 PolarHBondContact O-N 3.33Å; Q197-A199 VanDerWaalsContact C-N 3.27Å; Q197-A199 PolarHBondContact O-N 3.18Å; A199-T203 WeakPolarHBondContact O-CG2 3.31Å; A199-T203 PolarHBondContact O-N 3.05Å; A199-T203 VanDerWaalsContact O-N 3.1Å; A199-T203 PolarHBondContact O-OG1 2.93Å |
| 200 | C | 83.3 | Confident | 79.7 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | I184 A186 L196 Q197 T203 G204 G205 | I184-C200 PolarHBondContact O-SG 3.19Å; A186-C200 WeakPolarHBondContact CB-SG 3.24Å; L196-C200 PolarHBondContact O-N 2.77Å; L196-C200 PolarHBondContact O-SG 3Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; Q197-C200 PolarHBondContact O-N 2.95Å; C200-T203 PolarHBondContact O-N 3.5Å; C200-T203 PolarHBondContact O-OG1 3.1Å; C200-G204 CarbonylContact O-C 3.56Å; C200-G204 WeakPolarHBondContact O-CA 3.33Å; C200-G204 PolarHBondContact O-N 2.94Å; C200-G205 PolarHBondContact O-N 3.31Å |
| 201 | D | 84.5 | Confident | 79.2 | Confident | 83 Ų | 83 | 34.9 Ų | 34.9 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.8 | -160 | 12.2 | 0 | 0 | 0 | 112.1 | Q197 Q198 T203 G204 V244 Y246 | Q197-D201 PolarHBondContact O-N 3.41Å; Q198-D201 PolarHBondContact O-N 3.11Å; D201-T203 VanDerWaalsContact C-N 3.28Å; D201-T203 PolarHBondContact O-N 3.39Å; D201-G204 PolarHBondContact O-N 2.8Å; D201-V244 HydrophobicContact CB-CG2 4.23Å; D201-Y246 PolarHBondContact OD2-OH 2.96Å |
| 202 | I | 86.5 | Confident | 78.4 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 177.6 | -69.1 | 166.1 | 0 | 0 | 0 | 111.8 | M171 I174 F175 Q178 Q198 | M171-I202 HydrophobicContact SD-CD1 4.33Å; I174-I202 HydrophobicContact CG2-CB 4.04Å; I174-I202 HydrophobicContact CG2-CD1 4.29Å; I174-I202 HydrophobicContact CG2-CG2 3.81Å; F175-I202 HydrophobicContact CD1-CG2 4.36Å; F175-I202 HydrophobicContact CE1-CD1 4.22Å; F175-I202 HydrophobicContact CE1-CG2 4.32Å; F175-I202 HydrophobicContact CZ-CD1 4.25Å; Q178-I202 HydrophobicContact CB-CG2 4.15Å; Q178-I202 VanDerWaalsContact CD-CG2 3.47Å; Q178-I202 HydrophobicContact CG-CG2 4.15Å; Q178-I202 PolarHBondContact NE2-O 2.82Å; Q178-I202 VanDerWaalsContact OE1-CG2 3.24Å; Q198-I202 WeakPolarHBondContact O-CB 3.36Å; Q198-I202 WeakPolarHBondContact O-CD1 3.44Å; Q198-I202 WeakPolarHBondContact O-CG1 3.37Å; Q198-I202 PolarHBondContact O-N 3.44Å |
| 203 | T | 83.9 | Confident | 78 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -89.4 | -11.9 | -179 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | I174 L183 I184 A199 C200 D201 G205 | I174-T203 HydrophobicContact CG2-CG2 4.06Å; L183-T203 WeakPolarHBondContact CD2-O 3.43Å; I184-T203 HydrophobicContact CB-CG2 4.24Å; I184-T203 HydrophobicContact CD1-CG2 3.95Å; I184-T203 HydrophobicContact CG1-CG2 3.95Å; I184-T203 PolarHBondContact N-OG1 3.29Å; A199-T203 WeakPolarHBondContact O-CG2 3.31Å; A199-T203 PolarHBondContact O-N 3.05Å; A199-T203 VanDerWaalsContact O-N 3.1Å; A199-T203 PolarHBondContact O-OG1 2.93Å; C200-T203 PolarHBondContact O-N 3.5Å; C200-T203 PolarHBondContact O-OG1 3.1Å; D201-T203 VanDerWaalsContact C-N 3.28Å; D201-T203 PolarHBondContact O-N 3.39Å; T203-G205 VanDerWaalsContact C-N 3.27Å |
| 204 | G | 77.1 | Confident | 77.1 | Confident | 61 Ų | 61 | 40 Ų | 40 | 63% | 0.629 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C200 D201 | C200-G204 CarbonylContact O-C 3.56Å; C200-G204 WeakPolarHBondContact O-CA 3.33Å; C200-G204 PolarHBondContact O-N 2.94Å; D201-G204 PolarHBondContact O-N 2.8Å |
| 205 | G | 77.9 | Confident | 76.1 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | trans | -87.1 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I184 C200 T203 | I184-G205 WeakPolarHBondContact O-CA 3.49Å; C200-G205 PolarHBondContact O-N 3.31Å; T203-G205 VanDerWaalsContact C-N 3.27Å | ||
| 206 | L | 78.8 | Confident | 75.1 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | trans | -105.4 | 136.4 | -178.8 | -175.9 | 135.6 | 0 | 0 | 0 | 112 | D185 A186 L208 V225 F226 L238 | D185-L206 PolarHBondContact OD1-N 2.81Å; A186-L206 PolarHBondContact N-O 3.14Å; L206-L208 HydrophobicContact CD2-CB 3.82Å; L206-V225 HydrophobicContact CD1-CG1 3.63Å; L206-V225 HydrophobicContact CD2-CG1 4.05Å; L206-V225 HydrophobicContact CG-CG1 4.39Å; L206-F226 HydrophobicContact CD2-CE1 4.02Å; L206-F226 HydrophobicContact CD2-CZ 3.76Å; L206-L238 HydrophobicContact CD1-CD2 3.41Å; L206-L238 VanDerWaalsContact CD1-CD2 3.41Å | ||
| 207 | Y | 82.3 | Confident | 73.6 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 15% | 0.153 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.4 | 168.8 | 179.5 | -91.1 | 0 | 0 | 0 | 110 | A186 V188 D192 S193 L196 Q197 K209 | A186-Y207 HydrophobicContact CB-CD2 4.05Å; V188-Y207 HydrophobicContact CB-CE2 4.48Å; V188-Y207 HydrophobicContact CG2-CD2 4.36Å; V188-Y207 HydrophobicContact CG2-CE2 3.43Å; V188-Y207 VanDerWaalsContact CG2-CE2 3.43Å; D192-Y207 VanDerWaalsContact CA-OH 3.28Å; D192-Y207 WeakPolarHBondContact CA-OH 2.96Å; D192-Y207 PolarHBondContact OD1-OH 2.74Å; S193-Y207 PolarHBondContact N-OH 2.79Å; L196-Y207 HydrophobicContact CB-CD2 4.43Å; L196-Y207 HydrophobicContact CB-CE2 4.19Å; L196-Y207 HydrophobicContact CD2-CE2 4.26Å; L196-Y207 HydrophobicContact CG-CD2 4.34Å; L196-Y207 HydrophobicContact CG-CE2 4.36Å; Q197-Y207 HydrophobicContact CG-CD1 3.81Å; Q197-Y207 HydrophobicContact CG-CD2 3.73Å; Q197-Y207 HydrophobicContact CG-CE1 3.82Å; Q197-Y207 HydrophobicContact CG-CE2 3.72Å; Q197-Y207 HydrophobicContact CG-CG 3.77Å; Y207-K209 HydrophobicContact CE1-CB 4.44Å |
| 208 | L | 77.8 | Confident | 72.1 | Confident | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.9 | 175 | -173.9 | 74.5 | 0 | 0 | 0 | 110.7 | A186 C187 V188 L206 I210 F226 | A186-L208 PolarHBondContact O-N 3.24Å; C187-L208 WeakPolarHBondContact CA-O 3.24Å; V188-L208 PolarHBondContact N-O 2.92Å; L206-L208 HydrophobicContact CD2-CB 3.82Å; L208-I210 HydrophobicContact CD2-CG1 4.37Å; L208-F226 HydrophobicContact CB-CZ 4.26Å; L208-F226 HydrophobicContact CD2-CE2 4.06Å; L208-F226 HydrophobicContact CD2-CZ 4.34Å |
| 209 | K | 78.3 | Confident | 70.8 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.6 | 163.1 | -170.5 | -171.9 | -164.1 | 165.4 | 0 | 109.3 | D190 D192 Y207 P211 | D190-K209 WeakPolarHBondContact O-CE 3.35Å; D192-K209 VanDerWaalsContact OD1-CD 3.3Å; D192-K209 WeakPolarHBondContact OD1-CD 3.28Å; D192-K209 IonicContact OD1-NZ 3.55Å; D192-K209 WeakPolarHBondContact OD2-CD 3.39Å; D192-K209 WeakPolarHBondContact OD2-CE 3.4Å; D192-K209 IonicContact OD2-NZ 2.77Å; D192-K209 PolarHBondContact OD2-NZ 3.35Å; Y207-K209 HydrophobicContact CE1-CB 4.44Å; K209-P211 VanDerWaalsContact O-CD 3.31Å; K209-P211 WeakPolarHBondContact O-CD 3.26Å |
| 210 | I | 73.1 | Confident | 69.4 | Low | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -85.4 | 117.1 | 176.5 | -66.1 | 156.4 | 0 | 0 | 0 | 109.5 | C187 V188 L189 L208 Q212 L216 Y219 | C187-I210 WeakPolarHBondContact SG-CD1 3.48Å; V188-I210 PolarHBondContact O-N 2.92Å; L189-I210 HydrophobicContact CD2-CD1 3.6Å; L208-I210 HydrophobicContact CD2-CG1 4.37Å; I210-Q212 VanDerWaalsContact CG2-O 3.31Å; I210-Q212 WeakPolarHBondContact CG2-O 3.16Å; I210-L216 HydrophobicContact CD1-CD1 3.39Å; I210-L216 HydrophobicContact CD1-CG 4.37Å; I210-Y219 HydrophobicContact CG2-CD2 4.1Å; I210-Y219 HydrophobicContact CG2-CE2 4.5Å | ||
| 211 | P | 62.7 | Low | 67.8 | Low | 100 Ų | 100 | 49 Ų | 49 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77.3 | -25 | 179 | 30.3 | -34.3 | 0 | 0 | 0 | 112.9 | K209 Y219 | K209-P211 VanDerWaalsContact O-CD 3.31Å; K209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-Y219 HydrophobicContact CG-CE2 4.3Å |
| 212 | Q | 59.4 | Low | 65.5 | Low | 118 Ų | 118 | 51.6 Ų | 51.6 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | trans | -138.6 | 113 | -179.2 | -163 | 174.1 | 1.3 | 0 | 0 | 111.7 | I210 V214 A215 | I210-Q212 VanDerWaalsContact CG2-O 3.31Å; I210-Q212 WeakPolarHBondContact CG2-O 3.16Å; Q212-V214 VanDerWaalsContact C-N 3.29Å; Q212-V214 PolarHBondContact O-N 3.47Å; Q212-A215 PolarHBondContact O-N 3.24Å | ||
| 213 | K | 64.9 | Low | 63.2 | Low | 26 Ų | 26 | 52.3 Ų | 52.3 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -65 | -28.4 | -175.1 | -60.5 | 171.4 | -176.6 | 168.1 | 0 | 113.1 | E29 F32 L189 D190 A215 L216 | E29-K213 WeakPolarHBondContact OE2-CD 3.18Å; F32-K213 HydrophobicContact CB-CB 4.26Å; F32-K213 HydrophobicContact CD1-CB 3.98Å; F32-K213 HydrophobicContact CD1-CD 4.4Å; F32-K213 HydrophobicContact CD2-CB 4.14Å; F32-K213 WeakPolarHBondContact CD2-O 3.45Å; F32-K213 HydrophobicContact CE1-CB 4.35Å; F32-K213 VanDerWaalsContact CE2-O 3.27Å; F32-K213 WeakPolarHBondContact CE2-O 3.36Å; F32-K213 HydrophobicContact CG-CB 3.86Å; L189-K213 WeakPolarHBondContact O-CE 3.09Å; D190-K213 WeakPolarHBondContact OD1-CE 3.35Å; D190-K213 IonicContact OD1-NZ 3.67Å; D190-K213 PolarHBondContact OD1-NZ 3.32Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.96Å; K213-L216 WeakPolarHBondContact O-CB 3.4Å; K213-L216 PolarHBondContact O-N 3.41Å |
| 214 | V | 57.3 | Low | 61.3 | Low | 86 Ų | 86 | 61.1 Ų | 61.1 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -69.3 | -28.7 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | E31 Q212 L216 | E31-V214 HydrophobicContact CB-CG2 4.47Å; Q212-V214 VanDerWaalsContact C-N 3.29Å; Q212-V214 PolarHBondContact O-N 3.47Å; V214-L216 VanDerWaalsContact C-N 3.31Å |
| 215 | A | 56.7 | Low | 60 | Low | 17 Ų | 17 | 58.9 Ų | 58.9 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -93.2 | 19.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q212 K213 A217 Q218 Y219 | Q212-A215 PolarHBondContact O-N 3.24Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.96Å; A215-A217 PolarHBondContact O-N 2.96Å; A215-Q218 HydrophobicContact CB-CB 4.16Å; A215-Q218 CarbonylContact O-C 3.49Å; A215-Q218 WeakPolarHBondContact O-CA 3.24Å; A215-Q218 WeakPolarHBondContact O-CB 3.49Å; A215-Q218 PolarHBondContact O-N 3.34Å; A215-Y219 HydrophobicContact CB-CD2 3.82Å; A215-Y219 HydrophobicContact CB-CE2 3.66Å; A215-Y219 WeakPolarHBondContact O-CD2 3.38Å; A215-Y219 PolarHBondContact O-N 2.8Å |
| 216 | L | 59.3 | Low | 58.7 | Low | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.3 | -44.2 | 179.6 | -162.1 | 101.5 | 0 | 0 | 0 | 112.1 | F32 C37 A40 L189 I210 K213 V214 Q218 Y219 L220 | F32-L216 HydrophobicContact CE2-CB 3.87Å; F32-L216 HydrophobicContact CE2-CD1 4.11Å; F32-L216 HydrophobicContact CE2-CD2 4.07Å; F32-L216 HydrophobicContact CE2-CG 4.26Å; F32-L216 HydrophobicContact CZ-CB 4.45Å; F32-L216 HydrophobicContact CZ-CD1 3.86Å; F32-L216 HydrophobicContact CZ-CD2 4.1Å; F32-L216 HydrophobicContact CZ-CG 4.38Å; C37-L216 HydrophobicContact CB-CD2 4.29Å; A40-L216 HydrophobicContact CB-CD2 4.02Å; L189-L216 HydrophobicContact CD2-CD1 3.25Å; I210-L216 HydrophobicContact CD1-CD1 3.39Å; I210-L216 HydrophobicContact CD1-CG 4.37Å; K213-L216 WeakPolarHBondContact O-CB 3.4Å; K213-L216 PolarHBondContact O-N 3.41Å; V214-L216 VanDerWaalsContact C-N 3.31Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.47Å; L216-Y219 PolarHBondContact O-N 3.38Å; L216-L220 HydrophobicContact CD2-CD1 3.47Å; L216-L220 VanDerWaalsContact CD2-CD1 3.47Å; L216-L220 HydrophobicContact CG-CD1 3.76Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 VanDerWaalsContact O-CB 3.22Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 2.97Å |
| 217 | A | 52.3 | Low | 57.3 | Low | 41 Ų | 41 | 59.7 Ų | 59.7 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A40 A215 L220 L221 | A40-A217 HydrophobicContact CB-CB 4.07Å; A215-A217 PolarHBondContact O-N 2.96Å; A217-L220 PolarHBondContact O-N 2.9Å; A217-L221 HydrophobicContact CB-CD1 4.14Å; A217-L221 WeakPolarHBondContact O-CA 3.14Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.31Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 2.96Å |
| 218 | Q | 50.9 | Low | 55.8 | Low | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 175.5 | -156.9 | 177.7 | -10.4 | 0 | 0 | 111.8 | A215 L216 E222 Q223 | A215-Q218 HydrophobicContact CB-CB 4.16Å; A215-Q218 CarbonylContact O-C 3.49Å; A215-Q218 WeakPolarHBondContact O-CA 3.24Å; A215-Q218 WeakPolarHBondContact O-CB 3.49Å; A215-Q218 PolarHBondContact O-N 3.34Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.47Å; Q218-E222 HydrophobicContact CG-CB 3.87Å; Q218-E222 HydrophobicContact CG-CG 3.57Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.14Å; Q218-E222 PolarHBondContact NE2-OE2 3.28Å; Q218-E222 WeakPolarHBondContact O-CA 3.31Å; Q218-E222 WeakPolarHBondContact O-CB 3.27Å; Q218-E222 PolarHBondContact O-N 2.98Å; Q218-Q223 PolarHBondContact O-N 3Å |
| 219 | Y | 55.9 | Low | 54.6 | Low | 73 Ų | 73 | 59.4 Ų | 59.4 | 29% | 0.286 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.1 | -27.8 | 173.1 | -71.4 | -68.3 | 0 | 0 | 0 | 112.9 | I210 P211 A215 L216 Q223 | I210-Y219 HydrophobicContact CG2-CD2 4.1Å; I210-Y219 HydrophobicContact CG2-CE2 4.5Å; P211-Y219 HydrophobicContact CG-CE2 4.3Å; A215-Y219 HydrophobicContact CB-CD2 3.82Å; A215-Y219 HydrophobicContact CB-CE2 3.66Å; A215-Y219 WeakPolarHBondContact O-CD2 3.38Å; A215-Y219 PolarHBondContact O-N 2.8Å; L216-Y219 PolarHBondContact O-N 3.38Å; Y219-Q223 WeakPolarHBondContact O-CB 3.35Å |
| 220 | L | 54.4 | Low | 53.4 | Low | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -83.1 | -29.8 | 174 | -71.2 | 169.6 | 0 | 0 | 0 | 112.5 | A40 L216 A217 | A40-L220 HydrophobicContact CB-CD1 3.92Å; L216-L220 HydrophobicContact CD2-CD1 3.47Å; L216-L220 VanDerWaalsContact CD2-CD1 3.47Å; L216-L220 HydrophobicContact CG-CD1 3.76Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 VanDerWaalsContact O-CB 3.22Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 2.97Å; A217-L220 PolarHBondContact O-N 2.9Å |
| 221 | L | 48.8 | Very low | 52.2 | Low | 69 Ų | 69 | 63.9 Ų | 63.9 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -103.5 | -43.8 | -176.1 | -59.5 | 168.4 | 0 | 0 | 0 | 113.8 | V43 A217 | V43-L221 HydrophobicContact CG1-CD1 4.08Å; V43-L221 HydrophobicContact CG1-CD2 3.75Å; A217-L221 HydrophobicContact CB-CD1 4.14Å; A217-L221 WeakPolarHBondContact O-CA 3.14Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.31Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 2.96Å |
| 222 | E | 36.5 | Very low | 51.7 | Low | 137 Ų | 137 | 63.9 Ų | 63.9 | 64% | 0.64 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.5 | 177.1 | -67.5 | -148.7 | 146.7 | 0 | 0 | 114 | Q218 W224 | Q218-E222 HydrophobicContact CG-CB 3.87Å; Q218-E222 HydrophobicContact CG-CG 3.57Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.14Å; Q218-E222 PolarHBondContact NE2-OE2 3.28Å; Q218-E222 WeakPolarHBondContact O-CA 3.31Å; Q218-E222 WeakPolarHBondContact O-CB 3.27Å; Q218-E222 PolarHBondContact O-N 2.98Å; E222-W224 PolarHBondContact O-N 3.23Å |
| 223 | Q | 38.8 | Very low | 51.6 | Low | 44 Ų | 44 | 59.5 Ų | 59.5 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | trans | -77 | 90.6 | 163.1 | -126.6 | 174.5 | 26.8 | 0 | 0 | 107.4 | Q218 Y219 V225 | Q218-Q223 PolarHBondContact O-N 3Å; Y219-Q223 WeakPolarHBondContact O-CB 3.35Å; Q223-V225 HydrophobicContact CB-CB 4.42Å; Q223-V225 HydrophobicContact CB-CG2 4.46Å; Q223-V225 HydrophobicContact CG-CB 4.16Å; Q223-V225 HydrophobicContact CG-CG2 3.78Å; Q223-V225 PolarHBondContact O-N 2.9Å | ||
| 224 | W | 44.4 | Very low | 50.9 | Low | 201 Ų | 201 | 63.2 Ų | 63.2 | 76% | 0.761 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | 23 | 156.7 | -89.7 | 0.6 | 0 | 0 | 0 | 115 | E222 P228 L236 | E222-W224 PolarHBondContact O-N 3.23Å; W224-P228 VanDerWaalsContact O-CD 3.25Å; W224-P228 WeakPolarHBondContact O-CD 3.41Å; W224-P228 WeakPolarHBondContact O-CG 3.38Å; W224-L236 HydrophobicContact CE3-CD2 4.47Å; W224-L236 WeakPolarHBondContact O-CD1 3.46Å |
| 225 | V | 49.7 | Very low | 50.7 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -28 | -171.4 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | L206 Q223 R233 L238 | L206-V225 HydrophobicContact CD1-CG1 3.63Å; L206-V225 HydrophobicContact CD2-CG1 4.05Å; L206-V225 HydrophobicContact CG-CG1 4.39Å; Q223-V225 HydrophobicContact CB-CB 4.42Å; Q223-V225 HydrophobicContact CB-CG2 4.46Å; Q223-V225 HydrophobicContact CG-CB 4.16Å; Q223-V225 HydrophobicContact CG-CG2 3.78Å; Q223-V225 PolarHBondContact O-N 2.9Å; V225-R233 VanDerWaalsContact CG1-NH2 3.33Å; V225-R233 PolarHBondContact O-NH2 3.01Å; V225-L238 HydrophobicContact CG1-CD2 3.92Å |
| 226 | F | 51 | Low | 50.7 | Low | 9 Ų | 9 | 68.8 Ų | 68.8 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -101.8 | -22 | -178.2 | -62.8 | -67.4 | 0 | 0 | 0 | 114.9 | R153 L155 D185 L206 L208 | R153-F226 PolarHBondContact NH1-O 2.86Å; L155-F226 HydrophobicContact CD1-CD1 3.83Å; L155-F226 HydrophobicContact CD1-CE1 3.81Å; L155-F226 HydrophobicContact CD1-CG 4.48Å; L155-F226 HydrophobicContact CD1-CZ 4.41Å; D185-F226 HydrophobicContact CB-CD1 3.97Å; D185-F226 HydrophobicContact CB-CE1 3.75Å; L206-F226 HydrophobicContact CD2-CE1 4.02Å; L206-F226 HydrophobicContact CD2-CZ 3.76Å; L208-F226 HydrophobicContact CB-CZ 4.26Å; L208-F226 HydrophobicContact CD2-CE2 4.06Å; L208-F226 HydrophobicContact CD2-CZ 4.34Å |
| 227 | L | 49.5 | Very low | 50.2 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -76 | -33.6 | 175.8 | -92.5 | 76.3 | 0 | 0 | 0 | 115.4 | M44 M51 | M44-L227 HydrophobicContact CG-CD1 4.2Å; M51-L227 HydrophobicContact CE-CB 4.3Å; M51-L227 WeakPolarHBondContact CE-O 2.95Å; M51-L227 HydrophobicContact SD-CB 3.87Å; M51-L227 HydrophobicContact SD-CD2 3.71Å; M51-L227 HydrophobicContact SD-CG 3.83Å |
| 228 | P | 48.9 | Very low | 50.4 | Low | 13 Ų | 13 | 76.7 Ų | 76.7 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -78.5 | 146.7 | -175.1 | -5.9 | 20.1 | 0 | 0 | 0 | 113.1 | R153 W224 Q232 L236 | R153-P228 PolarHBondContact NH1-O 2.82Å; R153-P228 PolarHBondContact NH2-O 3.45Å; W224-P228 VanDerWaalsContact O-CD 3.25Å; W224-P228 WeakPolarHBondContact O-CD 3.41Å; W224-P228 WeakPolarHBondContact O-CG 3.38Å; P228-Q232 HydrophobicContact CB-CB 3.39Å; P228-Q232 HydrophobicContact CB-CG 4.31Å; P228-Q232 VanDerWaalsContact CB-OE1 3.31Å; P228-L236 HydrophobicContact CB-CD1 4.21Å; P228-L236 HydrophobicContact CG-CD1 3.66Å |
| 229 | D | 52.8 | Low | 50.7 | Low | 39 Ų | 39 | 74.3 Ų | 74.3 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | trans | -62.5 | 161.7 | 174.6 | -163.2 | 13.3 | 0 | 0 | 0 | 111.7 | K151 E231 Q232 R233 | K151-D229 IonicContact NZ-OD2 2.7Å; K151-D229 PolarHBondContact NZ-OD2 3.25Å; D229-E231 PolarHBondContact O-N 2.81Å; D229-Q232 PolarHBondContact O-N 2.88Å; D229-R233 PolarHBondContact O-N 3.18Å | ||
| 230 | S | 53.2 | Low | 50.5 | Low | 63 Ų | 63 | 76.3 Ų | 76.3 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -47 | -35.6 | -178.4 | -169.2 | 0 | 0 | 0 | 0 | 113 | ||
| 231 | E | 49.3 | Very low | 50.6 | Low | 128 Ų | 128 | 82 Ų | 82 | 60% | 0.598 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -73.2 | -37.2 | 179.7 | -60 | -172.3 | 167.7 | 0 | 0 | 113.5 | D229 R233 S234 | D229-E231 PolarHBondContact O-N 2.81Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.43Å; E231-S234 PolarHBondContact O-N 3.34Å; E231-S234 PolarHBondContact O-OG 3.21Å |
| 232 | Q | 51.9 | Low | 51.1 | Low | 100 Ų | 100 | 81.2 Ų | 81.2 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.1 | -22.9 | -178.6 | -69.6 | -176.2 | -47.4 | 0 | 0 | 112.1 | P228 D229 S234 Q235 L236 | P228-Q232 HydrophobicContact CB-CB 3.39Å; P228-Q232 HydrophobicContact CB-CG 4.31Å; P228-Q232 VanDerWaalsContact CB-OE1 3.31Å; D229-Q232 PolarHBondContact O-N 2.88Å; Q232-S234 VanDerWaalsContact C-N 3.31Å; Q232-S234 PolarHBondContact O-N 3.23Å; Q232-Q235 PolarHBondContact O-N 3.13Å; Q232-L236 WeakPolarHBondContact O-CD1 3.39Å; Q232-L236 WeakPolarHBondContact O-CG 3.11Å |
| 233 | R | 56.4 | Low | 52 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 10% | 0.098 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 175.4 | -122.3 | -167.8 | 178.3 | 116.4 | -3.2 | 113.2 | D185 V225 D229 E231 Q235 L236 L238 | D185-R233 IonicContact OD1-CZ 3.58Å; D185-R233 IonicContact OD1-NH1 3.27Å; D185-R233 PolarHBondContact OD1-NH1 3.15Å; D185-R233 IonicContact OD1-NH2 3.62Å; D185-R233 PolarHBondContact OD1-NH2 2.99Å; D185-R233 IonicContact OD2-CZ 2.85Å; D185-R233 IonicContact OD2-NH1 3.5Å; D185-R233 PolarHBondContact OD2-NH1 3.4Å; D185-R233 IonicContact OD2-NH2 3.66Å; D185-R233 PolarHBondContact OD2-NH2 3.17Å; V225-R233 VanDerWaalsContact CG1-NH2 3.33Å; V225-R233 PolarHBondContact O-NH2 3.01Å; D229-R233 PolarHBondContact O-N 3.18Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.43Å; R233-Q235 PolarHBondContact O-N 3.36Å; R233-L236 PolarHBondContact O-N 3.03Å; R233-L238 HydrophobicContact CB-CD1 4.46Å; R233-L238 HydrophobicContact CG-CD1 3.95Å; R233-L238 HydrophobicContact CG-CD2 3.99Å; R233-L238 HydrophobicContact CG-CG 4.43Å |
| 234 | S | 50.5 | Low | 53.2 | Low | 104 Ų | 104 | 81.4 Ų | 81.4 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.3 | 178.1 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | E231 Q232 | E231-S234 PolarHBondContact O-N 3.34Å; E231-S234 PolarHBondContact O-OG 3.21Å; Q232-S234 VanDerWaalsContact C-N 3.31Å; Q232-S234 PolarHBondContact O-N 3.23Å |
| 235 | Q | 53 | Low | 54.2 | Low | 169 Ų | 169 | 75.6 Ų | 75.6 | 79% | 0.79 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8.7 | 179 | -57.9 | -179 | 14.1 | 0 | 0 | 112.6 | Q232 R233 | Q232-Q235 PolarHBondContact O-N 3.13Å; R233-Q235 PolarHBondContact O-N 3.36Å |
| 236 | L | 57.4 | Low | 55.2 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -99.2 | 135.4 | -178.1 | -73.6 | 157.8 | 0 | 0 | 0 | 110 | W224 P228 Q232 R233 L238 | W224-L236 HydrophobicContact CE3-CD2 4.47Å; W224-L236 WeakPolarHBondContact O-CD1 3.46Å; P228-L236 HydrophobicContact CB-CD1 4.21Å; P228-L236 HydrophobicContact CG-CD1 3.66Å; Q232-L236 WeakPolarHBondContact O-CD1 3.39Å; Q232-L236 WeakPolarHBondContact O-CG 3.11Å; R233-L236 PolarHBondContact O-N 3.03Å; L236-L238 PolarHBondContact O-N 3.29Å |
| 237 | V | 47.6 | Very low | 56.2 | Low | 150 Ų | 150 | 85.6 Ų | 85.6 | 91% | 0.909 | 46% | 0.463 | S | S | * | . | trans | -73.6 | 96.9 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 238 | L | 57.9 | Low | 57.1 | Low | 62 Ų | 62 | 85 Ų | 85 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 150.5 | 177.6 | -70.6 | 150.6 | 0 | 0 | 0 | 110.6 | L206 V225 R233 L236 | L206-L238 HydrophobicContact CD1-CD2 3.41Å; L206-L238 VanDerWaalsContact CD1-CD2 3.41Å; V225-L238 HydrophobicContact CG1-CD2 3.92Å; R233-L238 HydrophobicContact CB-CD1 4.46Å; R233-L238 HydrophobicContact CG-CD1 3.95Å; R233-L238 HydrophobicContact CG-CD2 3.99Å; R233-L238 HydrophobicContact CG-CG 4.43Å; L236-L238 PolarHBondContact O-N 3.29Å |
| 239 | P | 55.9 | Low | 58.3 | Low | 60 Ų | 60 | 86.1 Ų | 86.1 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 141.3 | 167.5 | -19.1 | 29.6 | 0 | 0 | 0 | 110 | ||
| 240 | P | 52.5 | Low | 59.6 | Low | 116 Ų | 116 | 84.3 Ų | 84.3 | 75% | 0.753 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 140.3 | -179.2 | 22.8 | -31.3 | 0 | 0 | 0 | 110.3 | A242 | P240-A242 PolarHBondContact O-N 2.92Š|
| 241 | P | 56.7 | Low | 60.6 | Low | 122 Ų | 122 | 85.6 Ų | 85.6 | 79% | 0.792 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 126.2 | 178.1 | 23.6 | -32.2 | 0 | 0 | 0 | 109.2 | H243 | P241-H243 PolarHBondContact O-N 3.25Š|
| 242 | A | 58.5 | Low | 61.6 | Low | 53 Ų | 53 | 82.3 Ų | 82.3 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 133.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P240 V244 | P240-A242 PolarHBondContact O-N 2.92Å; A242-V244 VanDerWaalsContact O-CG2 3.28Å; A242-V244 WeakPolarHBondContact O-CG2 3.28Å; A242-V244 PolarHBondContact O-N 3.47Å; A242-V244 VanDerWaalsContact O-N 3.12Å |
| 243 | H | 56.7 | Low | 62.6 | Low | 170 Ų | 170 | 83 Ų | 83 | 79% | 0.787 | 46% | 0.457 | S | S | * | . | trans | -64.7 | 114.2 | 178.6 | -172.1 | -77 | 0 | 0 | 0 | 109.4 | P241 | P241-H243 PolarHBondContact O-N 3.25Š| ||
| 244 | V | 64.1 | Low | 63.3 | Low | 14 Ų | 14 | 88 Ų | 88 | 9% | 0.085 | 48% | 0.475 | C | S | . | . | trans | -91.7 | 130.6 | -175.6 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | Q197 Q198 D201 A242 Y246 | Q197-V244 HydrophobicContact CB-CG1 4.12Å; Q197-V244 HydrophobicContact CB-CG2 3.97Å; Q198-V244 HydrophobicContact CB-CG1 4.08Å; Q198-V244 HydrophobicContact CG-CG1 3.23Å; D201-V244 HydrophobicContact CB-CG2 4.23Å; A242-V244 VanDerWaalsContact O-CG2 3.28Å; A242-V244 WeakPolarHBondContact O-CG2 3.28Å; A242-V244 PolarHBondContact O-N 3.47Å; A242-V244 VanDerWaalsContact O-N 3.12Å; V244-Y246 HydrophobicContact CB-CE2 4.38Å; V244-Y246 PolarHBondContact O-N 3.42Å | ||
| 245 | D | 65.4 | Low | 64.3 | Low | 79 Ų | 79 | 87.8 Ų | 87.8 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | trans | -81.9 | 109.4 | 172.9 | -83.8 | -3.5 | 0 | 0 | 0 | 110.5 | Q198 R247 | Q198-D245 PolarHBondContact NE2-O 3.34Å; D245-R247 PolarHBondContact O-N 2.96Å; D245-R247 IonicContact OD2-CZ 2.85Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 IonicContact OD2-NH2 3.33Å; D245-R247 PolarHBondContact OD2-NH2 3.05Å | ||
| 246 | Y | 69.3 | Low | 65.4 | Low | 140 Ų | 140 | 84.4 Ų | 84.4 | 55% | 0.549 | 45% | 0.453 | S | S | . | . | trans | -83.8 | 19.5 | 176.7 | -72.9 | -76.4 | 0 | 0 | 0 | 114.9 | Q198 D201 V244 A248 | Q198-Y246 HydrophobicContact CG-CD1 4.34Å; Q198-Y246 HydrophobicContact CG-CE1 4.34Å; D201-Y246 PolarHBondContact OD2-OH 2.96Å; V244-Y246 HydrophobicContact CB-CE2 4.38Å; V244-Y246 PolarHBondContact O-N 3.42Å; Y246-A248 PolarHBondContact O-N 3.48Å | ||
| 247 | R | 72.9 | Confident | 66.5 | Low | 94 Ų | 94 | 83.3 Ų | 83.3 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.5 | -177.6 | -69.9 | -178.5 | -69.8 | 171.9 | -2.2 | 110.1 | D245 L256 E258 | D245-R247 PolarHBondContact O-N 2.96Å; D245-R247 IonicContact OD2-CZ 2.85Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 IonicContact OD2-NH2 3.33Å; D245-R247 PolarHBondContact OD2-NH2 3.05Å; R247-L256 HydrophobicContact CB-CB 4.13Å; R247-L256 HydrophobicContact CB-CD2 4.05Å; R247-L256 VanDerWaalsContact O-CD2 3.29Å; R247-L256 WeakPolarHBondContact O-CD2 3.5Å; R247-E258 HydrophobicContact CG-CG 4.42Å |
| 248 | A | 68.9 | Low | 68 | Low | 33 Ų | 33 | 84.2 Ų | 84.2 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 138.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y246 I257 I269 | Y246-A248 PolarHBondContact O-N 3.48Å; A248-I257 WeakPolarHBondContact O-CG1 3.2Å; A248-I257 PolarHBondContact O-N 3.28Å; A248-I269 HydrophobicContact CB-CD1 3.71Å |
| 249 | A | 74.3 | Confident | 69.2 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | N255 | A249-N255 CarbonylContact C-O 3.58Å; A249-N255 WeakPolarHBondContact CA-O 3.42Å |
| 250 | C | 78.5 | Confident | 70.6 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.007 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 138.8 | 178.7 | 90.1 | 0 | 0 | 0 | 0 | 111.5 | C252 R254 N255 I257 I269 C271 | C250-C252 PolarHBondContact O-N 3.39Å; C250-R254 WeakPolarHBondContact O-CA 3.2Å; C250-R254 PolarHBondContact O-N 2.79Å; C250-N255 PolarHBondContact N-O 3.17Å; C250-I257 HydrophobicContact CB-CD1 3.77Å; C250-I257 HydrophobicContact CB-CG1 4.23Å; C250-I257 HydrophobicContact CB-CG2 4.32Å; C250-I269 WeakPolarHBondContact CA-O 3.43Å; C250-C271 HydrophobicContact CB-CB 3.94Å; C250-C271 WeakPolarHBondContact CB-SG 3.35Å; C250-C271 WeakPolarHBondContact SG-CB 3.37Å; C250-C271 CovalentContact SG-SG 2.05Å; C250-C271 PolarHBondContact SG-SG 3.38Å |
| 251 | F | 74.6 | Confident | 72.1 | Confident | 90 Ų | 90 | 87 Ų | 87 | 40% | 0.395 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.4 | -176 | -85.4 | -103 | 0 | 0 | 0 | 113.8 | M168 I269 F270 | M168-F251 HydrophobicContact CE-CD1 4.5Å; M168-F251 HydrophobicContact CE-CE1 3.44Å; M168-F251 VanDerWaalsContact CE-CE1 3.44Å; M168-F251 HydrophobicContact CE-CZ 3.94Å; M168-F251 HydrophobicContact CG-CZ 4.28Å; M168-F251 HydrophobicContact SD-CE1 3.63Å; M168-F251 HydrophobicContact SD-CZ 3.54Å; M168-F251 VanDerWaalsContact SD-CZ 3.54Å; F251-I269 PolarHBondContact N-O 3.19Å; F251-F270 HydrophobicContact CB-CE1 4.43Å |
| 252 | C | 71.4 | Confident | 73.5 | Confident | 60 Ų | 60 | 85.5 Ų | 85.5 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -49.8 | 178 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | C250 F270 | C250-C252 PolarHBondContact O-N 3.39Å; C252-F270 WeakPolarHBondContact SG-CD1 3.4Å |
| 253 | H | 71.6 | Confident | 74.8 | Confident | 115 Ų | 115 | 83 Ų | 83 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -8.9 | -169.5 | -54 | 128.5 | 0 | 0 | 0 | 113.4 | N255 | H253-N255 PolarHBondContact O-N 2.92Å; H253-N255 PolarHBondContact O-OD1 2.89Å |
| 254 | R | 72 | Confident | 76 | Confident | 131 Ų | 131 | 79.7 Ų | 79.7 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | trans | 62.1 | 19.1 | -174.8 | -54 | 167.8 | -176.3 | -123 | -2.2 | 114.4 | C250 | C250-R254 WeakPolarHBondContact O-CA 3.2Å; C250-R254 PolarHBondContact O-N 2.79Å | ||
| 255 | N | 70.8 | Confident | 76.9 | Confident | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | trans | -83.5 | 144.1 | 174.2 | -66.5 | -14.6 | 0 | 0 | 0 | 110.3 | A249 C250 H253 I257 | A249-N255 CarbonylContact C-O 3.58Å; A249-N255 WeakPolarHBondContact CA-O 3.42Å; C250-N255 PolarHBondContact N-O 3.17Å; H253-N255 PolarHBondContact O-N 2.92Å; H253-N255 PolarHBondContact O-OD1 2.89Å; N255-I257 PolarHBondContact O-N 3.26Å | ||
| 256 | L | 76.9 | Confident | 77.8 | Confident | 98 Ų | 98 | 82 Ų | 82 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 127 | 172.1 | -64.2 | 159.4 | 0 | 0 | 0 | 109.1 | R247 | R247-L256 HydrophobicContact CB-CB 4.13Å; R247-L256 HydrophobicContact CB-CD2 4.05Å; R247-L256 VanDerWaalsContact O-CD2 3.29Å; R247-L256 WeakPolarHBondContact O-CD2 3.5Å |
| 257 | I | 80.8 | Confident | 78.5 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.7 | 178.7 | 59.3 | 168.6 | 0 | 0 | 0 | 111.1 | A248 C250 N255 G260 I269 C271 | A248-I257 WeakPolarHBondContact O-CG1 3.2Å; A248-I257 PolarHBondContact O-N 3.28Å; C250-I257 HydrophobicContact CB-CD1 3.77Å; C250-I257 HydrophobicContact CB-CG1 4.23Å; C250-I257 HydrophobicContact CB-CG2 4.32Å; N255-I257 PolarHBondContact O-N 3.26Å; I257-G260 VanDerWaalsContact CD1-CA 3.47Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; I257-C271 WeakPolarHBondContact CG2-SG 3.5Å |
| 258 | E | 79.1 | Confident | 79 | Confident | 168 Ų | 168 | 77.3 Ų | 77.3 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -91.8 | -36.2 | 173.8 | -67.8 | 178.7 | -179.1 | 0 | 0 | 112 | R247 | R247-E258 HydrophobicContact CG-CG 4.42Š|
| 259 | I | 82.4 | Confident | 79.8 | Confident | 146 Ų | 146 | 77.9 Ų | 77.9 | 75% | 0.749 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -121.6 | 121.7 | 178.2 | -57 | 174.7 | 0 | 0 | 0 | 107.7 | ||
| 260 | G | 85.2 | Confident | 80.2 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | trans | -136.9 | 155.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I257 F270 | I257-G260 VanDerWaalsContact CD1-CA 3.47Å; G260-F270 WeakPolarHBondContact CA-O 3.47Å | ||
| 261 | Y | 85.1 | Confident | 80.5 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 48% | 0.475 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.8 | 173.6 | -62.6 | -86.8 | 0 | 0 | 0 | 109.6 | I269 F270 F273 | Y261-I269 WeakPolarHBondContact O-CA 3.49Å; Y261-F270 PolarHBondContact N-O 3.01Å; Y261-F270 PolarHBondContact O-N 3.25Å; Y261-F273 HydrophobicContact CD1-CB 4.42Å; Y261-F273 HydrophobicContact CD1-CD2 4.02Å; Y261-F273 HydrophobicContact CD2-CB 4.21Å; Y261-F273 HydrophobicContact CE1-CB 4.22Å; Y261-F273 HydrophobicContact CE1-CD2 4.21Å; Y261-F273 HydrophobicContact CE2-CB 4.02Å; Y261-F273 HydrophobicContact CG-CB 4.41Å; Y261-F273 HydrophobicContact CG-CD2 4.45Å |
| 262 | V | 85.6 | Confident | 80.9 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.7 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 110 | L267 S268 I269 | V262-L267 HydrophobicContact CG1-CD2 4.18Å; V262-S268 WeakPolarHBondContact CA-O 3.45Å; V262-I269 HydrophobicContact CG2-CG1 4.37Å |
| 263 | C | 84.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 128.1 | 169.7 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | V265 C266 L267 S268 F270 C280 F284 | C263-V265 PolarHBondContact O-N 3.33Å; C263-V265 PolarHBondContact SG-N 2.96Å; C263-C266 VanDerWaalsContact CB-SG 3.58Å; C263-C266 PolarHBondContact SG-SG 2.75Å; C263-L267 VanDerWaalsContact O-CA 3.32Å; C263-L267 WeakPolarHBondContact O-CA 3.49Å; C263-L267 PolarHBondContact O-N 2.87Å; C263-S268 PolarHBondContact N-O 3.15Å; C263-F270 HydrophobicContact CB-CE2 4.26Å; C263-C280 VanDerWaalsContact SG-SG 3.61Å; C263-F284 HydrophobicContact CB-CE1 4.38Å; C263-F284 HydrophobicContact CB-CZ 3.91Å; C263-F284 VanDerWaalsContact SG-CZ 3.54Å |
| 264 | S | 82.6 | Confident | 81.7 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.9 | 178.2 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 265 | V | 84.4 | Confident | 81.9 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -51.1 | -176.4 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | C263 | C263-V265 PolarHBondContact O-N 3.33Å; C263-V265 PolarHBondContact SG-N 2.96Å |
| 266 | C | 83.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 1.8 | -173.7 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | C263 S268 C280 | C263-C266 VanDerWaalsContact CB-SG 3.58Å; C263-C266 PolarHBondContact SG-SG 2.75Å; C266-S268 PolarHBondContact O-N 3.25Å; C266-S268 PolarHBondContact SG-OG 2.83Å; C266-C280 HydrophobicContact CB-CB 4.16Å; C266-C280 PolarHBondContact SG-SG 3.5Å |
| 267 | L | 84.7 | Confident | 82.8 | Confident | 131 Ų | 131 | 70 Ų | 70 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | trans | 56.2 | 16.8 | -177.5 | -58.7 | 174.6 | 0 | 0 | 0 | 114.5 | V262 C263 | V262-L267 HydrophobicContact CG1-CD2 4.18Å; C263-L267 VanDerWaalsContact O-CA 3.32Å; C263-L267 WeakPolarHBondContact O-CA 3.49Å; C263-L267 PolarHBondContact O-N 2.87Å | ||
| 268 | S | 82 | Confident | 82.7 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | trans | -69.7 | 140.8 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | V262 C263 C266 F270 | V262-S268 WeakPolarHBondContact CA-O 3.45Å; C263-S268 PolarHBondContact N-O 3.15Å; C266-S268 PolarHBondContact O-N 3.25Å; C266-S268 PolarHBondContact SG-OG 2.83Å; S268-F270 VanDerWaalsContact OG-CE2 3.26Å; S268-F270 WeakPolarHBondContact OG-CE2 3.35Å; S268-F270 WeakPolarHBondContact OG-CZ 3.27Å | ||
| 269 | I | 85.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.1 | -176 | -55.9 | 173.6 | 0 | 0 | 0 | 109.4 | A248 C250 F251 I257 Y261 V262 | A248-I269 HydrophobicContact CB-CD1 3.71Å; C250-I269 WeakPolarHBondContact CA-O 3.43Å; F251-I269 PolarHBondContact N-O 3.19Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; Y261-I269 WeakPolarHBondContact O-CA 3.49Å; V262-I269 HydrophobicContact CG2-CG1 4.37Å |
| 270 | F | 84.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.8 | -178.8 | -62 | -58.4 | 0 | 0 | 0 | 112.7 | F251 C252 G260 Y261 C263 S268 C277 T278 | F251-F270 HydrophobicContact CB-CE1 4.43Å; C252-F270 WeakPolarHBondContact SG-CD1 3.4Å; G260-F270 WeakPolarHBondContact CA-O 3.47Å; Y261-F270 PolarHBondContact N-O 3.01Å; Y261-F270 PolarHBondContact O-N 3.25Å; C263-F270 HydrophobicContact CB-CE2 4.26Å; S268-F270 VanDerWaalsContact OG-CE2 3.26Å; S268-F270 WeakPolarHBondContact OG-CE2 3.35Å; S268-F270 WeakPolarHBondContact OG-CZ 3.27Å; F270-C277 HydrophobicContact CE2-CB 4.38Å; F270-C277 VanDerWaalsContact CE2-SG 3.58Å; F270-C277 WeakPolarHBondContact CZ-SG 3.25Å; F270-T278 VanDerWaalsContact CE1-OG1 3.3Å; F270-T278 WeakPolarHBondContact CE1-OG1 3.26Å |
| 271 | C | 84.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -67.2 | -38.8 | 175.7 | -80.8 | 0 | 0 | 0 | 0 | 111.7 | C250 I257 | C250-C271 HydrophobicContact CB-CB 3.94Å; C250-C271 WeakPolarHBondContact CB-SG 3.35Å; C250-C271 WeakPolarHBondContact SG-CB 3.37Å; C250-C271 CovalentContact SG-SG 2.05Å; C250-C271 PolarHBondContact SG-SG 3.38Å; I257-C271 WeakPolarHBondContact CG2-SG 3.5Å |
| 272 | N | 82.5 | Confident | 82.5 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -126.1 | 154.5 | -178.2 | -71.7 | -31.2 | 0 | 0 | 0 | 110.3 | S274 | N272-S274 PolarHBondContact O-N 3.41Š|
| 273 | F | 80.9 | Confident | 82.2 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | trans | -67.6 | 122 | 173.7 | -178.1 | -101 | 0 | 0 | 0 | 110.7 | Y261 I286 | Y261-F273 HydrophobicContact CD1-CB 4.42Å; Y261-F273 HydrophobicContact CD1-CD2 4.02Å; Y261-F273 HydrophobicContact CD2-CB 4.21Å; Y261-F273 HydrophobicContact CE1-CB 4.22Å; Y261-F273 HydrophobicContact CE1-CD2 4.21Å; Y261-F273 HydrophobicContact CE2-CB 4.02Å; Y261-F273 HydrophobicContact CG-CB 4.41Å; Y261-F273 HydrophobicContact CG-CD2 4.45Å; F273-I286 HydrophobicContact CE1-CD1 3.7Å; F273-I286 HydrophobicContact CZ-CD1 3.41Å; F273-I286 VanDerWaalsContact CZ-CD1 3.41Å; F273-I286 HydrophobicContact CZ-CG1 3.87Å | ||
| 274 | S | 78.2 | Confident | 82 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | trans | -121.3 | 135.6 | 170.3 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | N272 I276 F284 | N272-S274 PolarHBondContact O-N 3.41Å; S274-I276 WeakPolarHBondContact CB-O 3.45Å; S274-I276 PolarHBondContact O-N 3Å; S274-I276 PolarHBondContact OG-O 2.87Å; S274-F284 WeakPolarHBondContact O-CD2 3.49Å; S274-F284 WeakPolarHBondContact O-CE2 3.21Å | ||
| 275 | P | 77.6 | Confident | 81.3 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -71.6 | -15.4 | -179.9 | 27.9 | -34.1 | 0 | 0 | 0 | 113.2 | F284 I286 | P275-F284 WeakPolarHBondContact O-CD2 3.43Å; P275-F284 PolarHBondContact O-N 3.06Å; P275-I286 HydrophobicContact CB-CD1 4.31Å |
| 276 | I | 82.3 | Confident | 80.7 | Confident | 99 Ų | 99 | 73.6 Ų | 73.6 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -122.9 | 133.3 | 174.8 | -56.5 | 169.2 | 0 | 0 | 0 | 107.1 | S274 A283 | S274-I276 WeakPolarHBondContact CB-O 3.45Å; S274-I276 PolarHBondContact O-N 3Å; S274-I276 PolarHBondContact OG-O 2.87Å; I276-A283 HydrophobicContact CG1-CB 4.46Å |
| 277 | C | 82.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -74.4 | 125.8 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | F270 T279 C280 E281 T282 F284 | F270-C277 HydrophobicContact CE2-CB 4.38Å; F270-C277 VanDerWaalsContact CE2-SG 3.58Å; F270-C277 WeakPolarHBondContact CZ-SG 3.25Å; C277-T279 PolarHBondContact O-N 3.2Å; C277-T279 PolarHBondContact SG-N 3.38Å; C277-C280 WeakPolarHBondContact CB-SG 3.26Å; C277-C280 PolarHBondContact SG-SG 3.43Å; C277-E281 WeakPolarHBondContact O-CA 3.42Å; C277-E281 PolarHBondContact O-N 3.43Å; C277-T282 PolarHBondContact N-O 2.99Å; C277-T282 VanDerWaalsContact N-O 3.12Å; C277-F284 HydrophobicContact CB-CE2 4.17Å; C277-F284 HydrophobicContact CB-CZ 3.99Å | ||
| 278 | T | 79.8 | Confident | 77.8 | Confident | 97 Ų | 97 | 80.4 Ų | 80.4 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.8 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | F270 | F270-T278 VanDerWaalsContact CE1-OG1 3.3Å; F270-T278 WeakPolarHBondContact CE1-OG1 3.26Å |
| 279 | T | 80.8 | Confident | 76.2 | Confident | 80 Ų | 80 | 85.8 Ų | 85.8 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -39.5 | -176.2 | -50 | 0 | 0 | 0 | 0 | 112.9 | C277 | C277-T279 PolarHBondContact O-N 3.2Å; C277-T279 PolarHBondContact SG-N 3.38Å |
| 280 | C | 81.6 | Confident | 74.2 | Confident | 43 Ų | 43 | 92.3 Ų | 92.3 | 29% | 0.291 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 6.1 | -176.9 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | C263 C266 C277 T282 | C263-C280 VanDerWaalsContact SG-SG 3.61Å; C266-C280 HydrophobicContact CB-CB 4.16Å; C266-C280 PolarHBondContact SG-SG 3.5Å; C277-C280 WeakPolarHBondContact CB-SG 3.26Å; C277-C280 PolarHBondContact SG-SG 3.43Å; C280-T282 PolarHBondContact O-N 3.23Å; C280-T282 PolarHBondContact O-OG1 2.9Å; C280-T282 PolarHBondContact SG-OG1 3.41Å |
| 281 | E | 82.8 | Confident | 72.3 | Confident | 167 Ų | 167 | 100.5 Ų | 100.5 | 78% | 0.78 | 53% | 0.533 | S | S | * | . | trans | 54.4 | 13.2 | 176.5 | -61.2 | 178.9 | 170.3 | 0 | 0 | 114.8 | C277 A283 | C277-E281 WeakPolarHBondContact O-CA 3.42Å; C277-E281 PolarHBondContact O-N 3.43Å; E281-A283 PolarHBondContact O-N 3.5Å | ||
| 282 | T | 81.4 | Confident | 70.4 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 126.8 | -175.4 | -13.1 | 0 | 0 | 0 | 0 | 109.1 | C277 C280 | C277-T282 PolarHBondContact N-O 2.99Å; C277-T282 VanDerWaalsContact N-O 3.12Å; C280-T282 PolarHBondContact O-N 3.23Å; C280-T282 PolarHBondContact O-OG1 2.9Å; C280-T282 PolarHBondContact SG-OG1 3.41Å |
| 283 | A | 80.2 | Confident | 68.5 | Low | 71 Ų | 71 | 109 Ų | 109 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | B | Isolated β-bridge | trans | -77.5 | 121.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I276 E281 K285 | I276-A283 HydrophobicContact CG1-CB 4.46Å; E281-A283 PolarHBondContact O-N 3.5Å; A283-K285 PolarHBondContact O-N 3.35Å |
| 284 | F | 79.5 | Confident | 66.8 | Low | 52 Ų | 52 | 109.3 Ų | 109.3 | 23% | 0.228 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -71.2 | 120.8 | 175.8 | -60.7 | -66.2 | 0 | 0 | 0 | 109.1 | C263 S274 P275 C277 I286 | C263-F284 HydrophobicContact CB-CE1 4.38Å; C263-F284 HydrophobicContact CB-CZ 3.91Å; C263-F284 VanDerWaalsContact SG-CZ 3.54Å; S274-F284 WeakPolarHBondContact O-CD2 3.49Å; S274-F284 WeakPolarHBondContact O-CE2 3.21Å; P275-F284 WeakPolarHBondContact O-CD2 3.43Å; P275-F284 PolarHBondContact O-N 3.06Å; C277-F284 HydrophobicContact CB-CE2 4.17Å; C277-F284 HydrophobicContact CB-CZ 3.99Å; F284-I286 HydrophobicContact CB-CG1 4.24Å; F284-I286 PolarHBondContact O-N 3.19Å |
| 285 | K | 68.8 | Low | 65 | Low | 205 Ų | 205 | 117.4 Ų | 117.4 | 89% | 0.891 | 62% | 0.617 | S | S | * | * | trans | -74 | 82.7 | 167.4 | -73.6 | -172.5 | 180 | 179.2 | 0 | 108.4 | A283 Q287 | A283-K285 PolarHBondContact O-N 3.35Å; K285-Q287 PolarHBondContact O-N 2.69Å | ||
| 286 | I | 70.5 | Confident | 63.5 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 43% | 0.426 | 64% | 0.636 | S | S | . | * | trans | -69 | 103.3 | 173.3 | -52.9 | 154.2 | 0 | 0 | 0 | 106.1 | F273 P275 F284 L288 | F273-I286 HydrophobicContact CE1-CD1 3.7Å; F273-I286 HydrophobicContact CZ-CD1 3.41Å; F273-I286 VanDerWaalsContact CZ-CD1 3.41Å; F273-I286 HydrophobicContact CZ-CG1 3.87Å; P275-I286 HydrophobicContact CB-CD1 4.31Å; F284-I286 HydrophobicContact CB-CG1 4.24Å; F284-I286 PolarHBondContact O-N 3.19Å; I286-L288 PolarHBondContact O-N 2.78Å | ||
| 287 | Q | 57.2 | Low | 61.7 | Low | 185 Ų | 185 | 128.4 Ų | 128.4 | 86% | 0.864 | 65% | 0.654 | S | S | * | * | trans | -69.4 | 96 | 160.3 | -66.6 | -162.8 | -1.4 | 0 | 0 | 105.7 | K285 | K285-Q287 PolarHBondContact O-N 2.69Š| ||
| 288 | L | 52.2 | Low | 59.8 | Low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | -49.7 | 129.5 | 166.3 | -80.4 | 93.8 | 0 | 0 | 0 | 106.5 | I286 Q290 | I286-L288 PolarHBondContact O-N 2.78Å; L288-Q290 PolarHBondContact O-N 3.2Å | ||
| 289 | P | 46.6 | Very low | 58.2 | Low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | trans | -50.7 | 115.2 | 167.1 | -21 | 30.2 | 0 | 0 | 0 | 106.2 | M291 | P289-M291 PolarHBondContact O-N 3.35Š| ||
| 290 | Q | 44.8 | Very low | 56.3 | Low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -54.4 | 110.1 | 176.7 | -75.3 | -173.5 | -26 | 0 | 0 | 106 | L288 V292 | L288-Q290 PolarHBondContact O-N 3.2Å; Q290-V292 PolarHBondContact O-N 3.35Å | ||
| 291 | M | 43.8 | Very low | 54.5 | Low | 176 Ų | 176 | 154.4 Ų | 154.4 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -49.1 | 110 | 172.7 | -78.6 | 169 | 64.2 | 0 | 0 | 106.3 | P289 K293 | P289-M291 PolarHBondContact O-N 3.35Å; M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 2.98Å | ||
| 292 | V | 44.9 | Very low | 52.6 | Low | 137 Ų | 137 | 151.3 Ų | 151.3 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 101.1 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 104.7 | Q290 P294 | Q290-V292 PolarHBondContact O-N 3.35Å; V292-P294 WeakPolarHBondContact O-CD 3.31Å; V292-P294 VanDerWaalsContact O-N 3.09Å | ||
| 293 | K | 41.2 | Very low | 50.6 | Low | 183 Ų | 183 | 156.9 Ų | 156.9 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -52.6 | 122.2 | 178.1 | -69.4 | -178.9 | -179.5 | 177.8 | 0 | 106 | M291 K295 | M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 2.98Å; K293-K295 PolarHBondContact O-N 2.99Å | ||
| 294 | P | 45.4 | Very low | 49.2 | Very low | 119 Ų | 119 | 161.2 Ų | 161.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -59.2 | 115.4 | 177.4 | 22.2 | -29.9 | 0 | 0 | 0 | 107.1 | V292 K296 | V292-P294 WeakPolarHBondContact O-CD 3.31Å; V292-P294 VanDerWaalsContact O-N 3.09Å; P294-K296 PolarHBondContact O-N 2.87Å | ||
| 295 | K | 42.3 | Very low | 47.6 | Very low | 201 Ų | 201 | 166.9 Ų | 166.9 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | trans | -54.7 | 111.6 | 171.4 | -90.3 | -179.2 | 174.4 | 174.9 | 0 | 106.4 | K293 K297 | K293-K295 PolarHBondContact O-N 2.99Å; K295-K297 PolarHBondContact O-N 3.07Å | ||
| 296 | K | 44.3 | Very low | 46.4 | Very low | 203 Ų | 203 | 164.8 Ų | 164.8 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -50.8 | 107.9 | 169.7 | -76.5 | -175.3 | 174.8 | -178.3 | 0 | 107.6 | P294 K298 | P294-K296 PolarHBondContact O-N 2.87Å; K296-K298 PolarHBondContact O-N 3.42Å | ||
| 297 | K | 45.3 | Very low | 45 | Very low | 204 Ų | 204 | 169.6 Ų | 169.6 | 89% | 0.887 | 88% | 0.877 | S | S | * | * | trans | -60.1 | 109.4 | 165.3 | -87.1 | -177.5 | 174.8 | 178 | 0 | 106.2 | K295 L299 | K295-K297 PolarHBondContact O-N 3.07Å; K297-L299 PolarHBondContact O-N 3.11Å; K297-L299 VanDerWaalsContact O-N 3.15Å | ||
| 298 | K | 42.9 | Very low | 44.2 | Very low | 199 Ų | 199 | 168.7 Ų | 168.7 | 87% | 0.865 | 88% | 0.878 | S | S | * | * | trans | -59.5 | 115.5 | 165.3 | -77.9 | -174.9 | 173.9 | -176.4 | 0 | 106.8 | K296 K300 | K296-K298 PolarHBondContact O-N 3.42Å; K298-K300 PolarHBondContact O-N 2.91Å | ||
| 299 | L | 46.3 | Very low | 43.7 | Very low | 168 Ų | 168 | 170.8 Ų | 170.8 | 88% | 0.88 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.8 | 164.4 | -119.3 | 86.9 | 0 | 0 | 0 | 107 | K297 Q301 | K297-L299 PolarHBondContact O-N 3.11Å; K297-L299 VanDerWaalsContact O-N 3.15Å; L299-Q301 PolarHBondContact O-N 3.11Å |
| 300 | K | 40.3 | Very low | 43.5 | Very low | 205 Ų | 205 | 174.7 Ų | 174.7 | 89% | 0.891 | 90% | 0.899 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.6 | 162.9 | -84.7 | -178.5 | 171 | -177.1 | 0 | 106.9 | K298 A302 | K298-K300 PolarHBondContact O-N 2.91Å; K300-A302 PolarHBondContact O-N 3.37Å |
| 301 | Q | 43.5 | Very low | 43.4 | Very low | 193 Ų | 193 | 174.2 Ų | 174.2 | 90% | 0.902 | 90% | 0.903 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123 | 163.6 | -78.1 | 168.4 | -26.5 | 0 | 0 | 107.8 | L299 | L299-Q301 PolarHBondContact O-N 3.11Š|
| 302 | A | 42.3 | Very low | 43.3 | Very low | 102 Ų | 102 | 174.1 Ų | 174.1 | 84% | 0.843 | 91% | 0.906 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | K300 | K300-A302 PolarHBondContact O-N 3.37Š|
| 303 | A | 41.3 | Very low | 43.2 | Very low | 175 Ų | 175 | 177.5 Ų | 177.5 | 100% | 1.446 | 91% | 0.913 | S | S | * | * | trans | -76.9 | 0 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 303 of 303 residues in 358.4 ms
(Link to these results)