| 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 | 32.1 | Very low | 69.3 | Low | 238 Ų | 238 | 89.5 Ų | 89.5 | 100% | 1.172 | 50% | 0.499 | S | S | * | . | 0 | 95.9 | 0 | -74.2 | -82.6 | 173.3 | 0 | 0 | 106.4 | Q3 | M1-Q3 PolarHBondContact O-N 3.1Š| |||
| 2 | A | 42 | Very low | 71.7 | Confident | 100 Ų | 100 | 82.1 Ų | 82.1 | 83% | 0.826 | 46% | 0.457 | S | S | * | . | trans | -64.4 | 117.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | I4 | A2-I4 PolarHBondContact O-N 2.93Š| ||
| 3 | Q | 42.1 | Very low | 73.8 | Confident | 186 Ų | 186 | 75.8 Ų | 75.8 | 87% | 0.869 | 42% | 0.422 | S | S | * | . | trans | -56.8 | 126.6 | 168.8 | -73.6 | -168.1 | 4.4 | 0 | 0 | 106.3 | M1 A5 | M1-Q3 PolarHBondContact O-N 3.1Å; Q3-A5 VanDerWaalsContact C-N 3.31Å; Q3-A5 PolarHBondContact O-N 2.77Å | ||
| 4 | I | 46.8 | Very low | 75.5 | Confident | 170 Ų | 170 | 70.4 Ų | 70.4 | 87% | 0.872 | 39% | 0.392 | S | S | * | . | trans | -62.1 | 103.5 | 169.3 | -63.8 | 169.4 | 0 | 0 | 0 | 104.5 | A2 S6 | A2-I4 PolarHBondContact O-N 2.93Å; I4-S6 PolarHBondContact O-N 3.19Å | ||
| 5 | A | 56.6 | Low | 77 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 126.8 | 177 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q3 K7 | Q3-A5 VanDerWaalsContact C-N 3.31Å; Q3-A5 PolarHBondContact O-N 2.77Å; A5-K7 PolarHBondContact O-N 2.89Å |
| 6 | S | 73.1 | Confident | 78.3 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 127.2 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 108.1 | I4 | I4-S6 PolarHBondContact O-N 3.19Š|
| 7 | K | 86.6 | Confident | 79.4 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 129.1 | 175.6 | -178.7 | -170.9 | 166.2 | -144.8 | 0 | 109.4 | A5 D136 | A5-K7 PolarHBondContact O-N 2.89Å; K7-D136 IonicContact NZ-OD1 3.44Å; K7-D136 PolarHBondContact NZ-OD1 3.46Å |
| 8 | P | 93.8 | Very high | 80.2 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.3 | 177.9 | -21.5 | 29.3 | 0 | 0 | 0 | 111.9 | L10 I86 V115 D116 | P8-L10 HydrophobicContact CB-CD2 4.46Å; P8-I86 HydrophobicContact CB-CG2 4.28Å; P8-I86 HydrophobicContact CG-CG2 4.14Å; P8-I86 WeakPolarHBondContact CG-O 3.35Å; P8-V115 HydrophobicContact CB-CG1 4.15Å; P8-V115 WeakPolarHBondContact CB-O 3.27Å; P8-V115 HydrophobicContact CG-CG1 3.94Å; P8-V115 VanDerWaalsContact CG-O 3.28Å; P8-V115 WeakPolarHBondContact CG-O 3.44Å; P8-D116 WeakPolarHBondContact CA-O 3.36Å |
| 9 | F | 94.4 | Very high | 81.1 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.6 | 174.4 | -165.4 | -94.8 | 0 | 0 | 0 | 110 | I11 D116 V117 V118 D136 L137 L211 L214 L220 | F9-I11 HydrophobicContact CD1-CD1 4.13Å; F9-I11 HydrophobicContact CD1-CG1 3.69Å; F9-I11 HydrophobicContact CE1-CD1 4.28Å; F9-I11 HydrophobicContact CE1-CG1 3.8Å; F9-D116 PolarHBondContact N-O 2.95Å; F9-V117 HydrophobicContact CB-CG2 4.45Å; F9-V117 WeakPolarHBondContact O-CA 3.42Å; F9-V118 PolarHBondContact O-N 3.32Å; F9-D136 HydrophobicContact CD2-CB 3.87Å; F9-D136 HydrophobicContact CE1-CB 4.28Å; F9-D136 HydrophobicContact CE2-CB 3.54Å; F9-D136 HydrophobicContact CG-CB 4.37Å; F9-D136 HydrophobicContact CZ-CB 3.77Å; F9-L137 HydrophobicContact CE1-CB 3.83Å; F9-L137 HydrophobicContact CZ-CB 4.04Å; F9-L211 HydrophobicContact CD1-CD2 4.14Å; F9-L211 HydrophobicContact CE1-CD2 3.68Å; F9-L214 HydrophobicContact CE1-CD1 4.36Å; F9-L214 HydrophobicContact CE2-CD1 3.94Å; F9-L214 HydrophobicContact CZ-CD1 3.7Å; F9-L220 HydrophobicContact CD2-CD1 4.42Å |
| 10 | L | 97.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.8 | -177.3 | -61 | -163.1 | 0 | 0 | 0 | 111.7 | P8 L83 I86 K87 V118 M134 F135 D136 L137 | P8-L10 HydrophobicContact CB-CD2 4.46Å; L10-L83 HydrophobicContact CD1-CB 4.45Å; L10-L83 HydrophobicContact CD1-CD2 4.32Å; L10-I86 HydrophobicContact CD2-CG2 4.07Å; L10-K87 HydrophobicContact CD1-CD 4.18Å; L10-K87 HydrophobicContact CD1-CG 3.95Å; L10-K87 HydrophobicContact CG-CG 4.43Å; L10-V118 WeakPolarHBondContact CA-O 3.49Å; L10-V118 HydrophobicContact CD2-CB 3.68Å; L10-V118 HydrophobicContact CD2-CG1 4.37Å; L10-V118 HydrophobicContact CD2-CG2 4.33Å; L10-M134 HydrophobicContact CD1-CB 4.37Å; L10-F135 HydrophobicContact CB-CD1 4.13Å; L10-D136 PolarHBondContact N-OD2 3.11Å; L10-D136 PolarHBondContact O-N 3.37Å; L10-L137 PolarHBondContact O-N 3.39Å |
| 11 | I | 97.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.9 | 177.5 | -52.1 | 176 | 0 | 0 | 0 | 108.3 | F9 I13 V117 V118 I119 V120 L137 I139 L211 | F9-I11 HydrophobicContact CD1-CD1 4.13Å; F9-I11 HydrophobicContact CD1-CG1 3.69Å; F9-I11 HydrophobicContact CE1-CD1 4.28Å; F9-I11 HydrophobicContact CE1-CG1 3.8Å; I11-I13 HydrophobicContact CG2-CD1 4.33Å; I11-I13 HydrophobicContact CG2-CG1 4Å; I11-V117 HydrophobicContact CD1-CG1 3.72Å; I11-V117 HydrophobicContact CG1-CG1 4.26Å; I11-V118 PolarHBondContact N-O 3Å; I11-I119 HydrophobicContact CB-CG1 4.2Å; I11-I119 HydrophobicContact CD1-CG1 4.13Å; I11-I119 CarbonylContact O-C 3.58Å; I11-I119 VanDerWaalsContact O-CA 3.32Å; I11-I119 WeakPolarHBondContact O-CA 3.4Å; I11-V120 PolarHBondContact O-N 3Å; I11-L137 CarbonylContact C-O 3.57Å; I11-L137 WeakPolarHBondContact CA-O 3.4Å; I11-L137 HydrophobicContact CG1-CB 4.45Å; I11-L137 HydrophobicContact CG2-CB 4.42Å; I11-L137 HydrophobicContact CG2-CD2 4.33Å; I11-L137 HydrophobicContact CG2-CG 4.44Å; I11-I139 HydrophobicContact CG2-CD1 3.98Å; I11-L211 HydrophobicContact CD1-CD1 3.54Å; I11-L211 HydrophobicContact CD1-CD2 3.52Å; I11-L211 HydrophobicContact CD1-CG 4.17Å; I11-L211 HydrophobicContact CG1-CD2 4.36Å |
| 12 | G | 98.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V120 F126 F135 L137 K138 I139 | G12-V120 CarbonylContact C-O 3.58Å; G12-F126 WeakPolarHBondContact O-CE1 3.44Å; G12-F126 VanDerWaalsContact O-CZ 3.25Å; G12-F126 WeakPolarHBondContact O-CZ 3.4Å; G12-F135 VanDerWaalsContact N-CD1 3.26Å; G12-L137 PolarHBondContact N-O 2.83Å; G12-K138 WeakPolarHBondContact O-CA 3.35Å; G12-I139 PolarHBondContact O-N 2.89Å |
| 13 | I | 98.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.5 | 176.3 | -58.3 | -169.9 | 0 | 0 | 0 | 108.9 | I11 K21 C25 I28 I119 V120 E121 G122 T125 I139 I141 | I11-I13 HydrophobicContact CG2-CD1 4.33Å; I11-I13 HydrophobicContact CG2-CG1 4Å; I13-K21 HydrophobicContact CG2-CB 4.29Å; I13-K21 HydrophobicContact CG2-CG 4.17Å; I13-C25 VanDerWaalsContact CD1-SG 3.58Å; I13-I28 HydrophobicContact CD1-CD1 3.89Å; I13-I119 HydrophobicContact CD1-CG2 3.65Å; I13-I119 HydrophobicContact CG1-CG2 3.93Å; I13-V120 PolarHBondContact N-O 3.11Å; I13-E121 HydrophobicContact CB-CB 4.28Å; I13-E121 WeakPolarHBondContact O-CA 3.39Å; I13-G122 PolarHBondContact O-N 3.08Å; I13-G122 VanDerWaalsContact O-N 3.1Å; I13-T125 PolarHBondContact O-OG1 3.2Å; I13-T125 VanDerWaalsContact O-OG1 3.11Å; I13-I139 CarbonylContact C-O 3.6Å; I13-I139 WeakPolarHBondContact CA-O 3.28Å; I13-I139 HydrophobicContact CD1-CD1 4.21Å; I13-I139 HydrophobicContact CG1-CB 4.24Å; I13-I139 HydrophobicContact CG1-CD1 4.32Å; I13-I141 HydrophobicContact CG2-CD1 4.15Å; I13-I141 HydrophobicContact CG2-CG1 3.72Å |
| 14 | S | 98.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 173.7 | 179.2 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | K21 G122 I123 F126 I139 F140 I141 | S14-K21 VanDerWaalsContact C-CD 3.49Å; S14-G122 WeakPolarHBondContact CA-O 3.15Å; S14-G122 PolarHBondContact OG-O 2.91Å; S14-I123 PolarHBondContact OG-O 3.01Å; S14-F126 VanDerWaalsContact CB-CD2 3.45Å; S14-F126 VanDerWaalsContact CB-CE2 3.46Å; S14-I139 PolarHBondContact N-O 3.35Å; S14-F140 CarbonylContact O-C 3.49Å; S14-F140 WeakPolarHBondContact O-CA 3.3Å; S14-I141 PolarHBondContact O-N 3.1Å |
| 15 | G | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 141.4 | 158.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K21 I123 | G15-K21 WeakPolarHBondContact O-CD 3.41Å; G15-K21 VanDerWaalsContact O-CE 3.3Å; G15-K21 WeakPolarHBondContact O-CE 3.48Å; G15-K21 PolarHBondContact O-NZ 3.18Å; G15-I123 WeakPolarHBondContact O-CA 3.28Å | ||
| 16 | G | 97.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -62.3 | 165 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A18 S19 K21 F179 | G16-A18 PolarHBondContact O-N 2.8Å; G16-S19 WeakPolarHBondContact O-CB 3.35Å; G16-S19 PolarHBondContact O-N 3.37Å; G16-S19 VanDerWaalsContact O-N 3.11Å; G16-S19 PolarHBondContact O-OG 2.79Å; G16-K21 PolarHBondContact O-NZ 3.2Å; G16-F179 VanDerWaalsContact CA-CE2 3.5Å |
| 17 | A | 96.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | S19 R148 V175 | A17-S19 PolarHBondContact O-N 3.05Å; A17-S19 VanDerWaalsContact O-N 3.16Å; A17-R148 WeakPolarHBondContact O-CB 3.47Å; A17-R148 WeakPolarHBondContact O-CD 3.5Å; A17-V175 HydrophobicContact CB-CG1 3.58Å |
| 18 | A | 95.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 16% | 0.157 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G16 G20 R148 R151 K152 | G16-A18 PolarHBondContact O-N 2.8Å; A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 3Å; A18-R148 WeakPolarHBondContact CB-O 3.47Å; A18-R151 HydrophobicContact CB-CB 4Å; A18-R151 WeakPolarHBondContact O-CD 3.34Å; A18-K152 HydrophobicContact CB-CB 3.91Å |
| 19 | S | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -73 | -10.9 | 176.2 | 66.3 | 0 | 0 | 0 | 0 | 115.4 | G16 A17 K21 I141 R151 | G16-S19 WeakPolarHBondContact O-CB 3.35Å; G16-S19 PolarHBondContact O-N 3.37Å; G16-S19 VanDerWaalsContact O-N 3.11Å; G16-S19 PolarHBondContact O-OG 2.79Å; A17-S19 PolarHBondContact O-N 3.05Å; A17-S19 VanDerWaalsContact O-N 3.16Å; S19-K21 WeakPolarHBondContact OG-CG 3.41Å; S19-K21 PolarHBondContact OG-NZ 3.26Å; S19-I141 VanDerWaalsContact O-CG2 3.26Å; S19-I141 WeakPolarHBondContact O-CG2 3.2Å; S19-R151 PolarHBondContact O-NH1 3.37Å |
| 20 | G | 95.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 101.1 | 13.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A18 E23 A24 | A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 3Å; G20-E23 WeakPolarHBondContact CA-OE2 3.49Å; G20-E23 PolarHBondContact O-N 2.97Å; G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.44Å |
| 21 | K | 96.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 7% | 0.065 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -54.5 | 180 | -69.2 | 179.9 | -58.4 | -63.9 | 0 | 112.8 | I13 S14 G15 G16 S19 E23 A24 C25 G122 I141 | I13-K21 HydrophobicContact CG2-CB 4.29Å; I13-K21 HydrophobicContact CG2-CG 4.17Å; S14-K21 VanDerWaalsContact C-CD 3.49Å; G15-K21 WeakPolarHBondContact O-CD 3.41Å; G15-K21 VanDerWaalsContact O-CE 3.3Å; G15-K21 WeakPolarHBondContact O-CE 3.48Å; G15-K21 PolarHBondContact O-NZ 3.18Å; G16-K21 PolarHBondContact O-NZ 3.2Å; S19-K21 WeakPolarHBondContact OG-CG 3.41Å; S19-K21 PolarHBondContact OG-NZ 3.26Å; K21-E23 VanDerWaalsContact C-N 3.26Å; K21-E23 PolarHBondContact O-N 3.47Å; K21-A24 PolarHBondContact O-N 2.61Å; K21-A24 VanDerWaalsContact O-N 3.17Å; K21-C25 PolarHBondContact O-N 3.38Å; K21-C25 PolarHBondContact O-SG 2.93Å; K21-G122 WeakPolarHBondContact CD-O 3.43Å; K21-I141 HydrophobicContact CB-CG1 4.41Å; K21-I141 HydrophobicContact CG-CB 3.98Å; K21-I141 HydrophobicContact CG-CG1 3.76Å |
| 22 | A | 94.3 | Very high | 95 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61 | -39.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C25 K26 | A22-C25 PolarHBondContact O-N 2.72Å; A22-K26 WeakPolarHBondContact O-CB 3.27Å; A22-K26 PolarHBondContact O-N 3.23Å |
| 23 | E | 94 | Very high | 94.7 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 45% | 0.453 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67 | -41.2 | 176.5 | -62.1 | 80 | 179.1 | 0 | 0 | 112 | G20 K21 K26 K27 P198 | G20-E23 WeakPolarHBondContact CA-OE2 3.49Å; G20-E23 PolarHBondContact O-N 2.97Å; K21-E23 VanDerWaalsContact C-N 3.26Å; K21-E23 PolarHBondContact O-N 3.47Å; E23-K26 PolarHBondContact O-N 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.04Å; E23-P198 HydrophobicContact CB-CB 3.75Å; E23-P198 HydrophobicContact CB-CG 3.78Å; E23-P198 HydrophobicContact CG-CG 4.36Å |
| 24 | A | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G20 K21 K26 K27 I28 I141 A197 | G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.44Å; K21-A24 PolarHBondContact O-N 2.61Å; K21-A24 VanDerWaalsContact O-N 3.17Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 2.92Å; A24-K27 PolarHBondContact O-N 2.97Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.5Å; A24-I28 PolarHBondContact O-N 2.74Å; A24-I141 HydrophobicContact CB-CD1 4.02Å; A24-A197 HydrophobicContact CB-CB 4.23Å |
| 25 | C | 94.8 | Very high | 94 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | I13 K21 A22 I28 K29 V43 E121 | I13-C25 VanDerWaalsContact CD1-SG 3.58Å; K21-C25 PolarHBondContact O-N 3.38Å; K21-C25 PolarHBondContact O-SG 2.93Å; A22-C25 PolarHBondContact O-N 2.72Å; C25-I28 PolarHBondContact O-N 3.49Å; C25-K29 WeakPolarHBondContact O-CB 3.28Å; C25-K29 PolarHBondContact O-N 3.42Å; C25-V43 HydrophobicContact CB-CG1 4.31Å; C25-E121 WeakPolarHBondContact SG-CB 3.14Å |
| 26 | K | 93.7 | Very high | 93.4 | Very high | 142 Ų | 142 | 49.9 Ų | 49.9 | 62% | 0.617 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.1 | -48.5 | 176.3 | -176.1 | 178.1 | 178.6 | 179.7 | 0 | 111.2 | A22 E23 A24 I28 K29 D30 | A22-K26 WeakPolarHBondContact O-CB 3.27Å; A22-K26 PolarHBondContact O-N 3.23Å; E23-K26 PolarHBondContact O-N 3.29Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 2.92Å; K26-I28 PolarHBondContact O-N 2.81Å; K26-K29 PolarHBondContact O-N 3.03Å; K26-D30 WeakPolarHBondContact O-CB 3.4Å; K26-D30 PolarHBondContact O-N 3.34Å |
| 27 | K | 92.9 | Very high | 93 | Very high | 56 Ų | 56 | 58 Ų | 58 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.3 | -73 | -173.5 | 174.5 | -175.4 | 0 | 112.1 | E23 A24 D30 V31 P198 H201 V204 | E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.04Å; A24-K27 PolarHBondContact O-N 2.97Å; K27-D30 PolarHBondContact O-N 3.03Å; K27-V31 WeakPolarHBondContact O-CG2 3.37Å; K27-V31 PolarHBondContact O-N 2.98Å; K27-P198 HydrophobicContact CD-CB 4.01Å; K27-P198 PolarHBondContact NZ-O 3.08Å; K27-H201 PolarHBondContact NZ-CE1 3.12Å; K27-V204 HydrophobicContact CB-CG1 4.06Å |
| 28 | I | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 177.4 | -67.7 | 165.5 | 0 | 0 | 0 | 110.3 | I13 A24 C25 K26 D30 V31 L32 I119 I139 V204 I207 T208 L211 | I13-I28 HydrophobicContact CD1-CD1 3.89Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.5Å; A24-I28 PolarHBondContact O-N 2.74Å; C25-I28 PolarHBondContact O-N 3.49Å; K26-I28 PolarHBondContact O-N 2.81Å; I28-D30 PolarHBondContact O-N 2.94Å; I28-V31 PolarHBondContact O-N 3.34Å; I28-L32 HydrophobicContact CG2-CD1 3.9Å; I28-L32 HydrophobicContact CG2-CG 4.38Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 2.71Å; I28-I119 HydrophobicContact CB-CD1 4.4Å; I28-I119 HydrophobicContact CG2-CD1 3.77Å; I28-I139 HydrophobicContact CD1-CD1 4.46Å; I28-V204 HydrophobicContact CG1-CG1 4.32Å; I28-I207 HydrophobicContact CD1-CG2 4.27Å; I28-T208 HydrophobicContact CB-CG2 4.16Å; I28-T208 HydrophobicContact CG1-CG2 3.91Å; I28-T208 HydrophobicContact CG2-CG2 4.19Å; I28-L211 HydrophobicContact CG2-CD1 3.85Å |
| 29 | K | 93.4 | Very high | 92.3 | Very high | 62 Ų | 62 | 63 Ų | 63 | 27% | 0.27 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 177.6 | -175.6 | 173.3 | -175.8 | 159.2 | 0 | 111.3 | C25 K26 V31 L32 Y33 V41 E42 V43 | C25-K29 WeakPolarHBondContact O-CB 3.28Å; C25-K29 PolarHBondContact O-N 3.42Å; K26-K29 PolarHBondContact O-N 3.03Å; K29-V31 VanDerWaalsContact C-N 3.35Å; K29-V31 PolarHBondContact O-N 3.26Å; K29-L32 PolarHBondContact O-N 2.97Å; K29-Y33 VanDerWaalsContact O-CB 3.24Å; K29-Y33 WeakPolarHBondContact O-CB 3.46Å; K29-Y33 PolarHBondContact O-N 3.13Å; K29-V41 WeakPolarHBondContact CE-O 3.22Å; K29-V41 HydrophobicContact CG-CG1 4.26Å; K29-V41 PolarHBondContact NZ-O 3.45Å; K29-E42 IonicContact NZ-OE1 3.63Å; K29-E42 IonicContact NZ-OE2 3.36Å; K29-V43 HydrophobicContact CB-CG2 4.26Å; K29-V43 HydrophobicContact CD-CG2 3.79Å; K29-V43 HydrophobicContact CG-CG2 4.46Å |
| 30 | D | 92.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | -179.8 | -72.4 | -15 | 0 | 0 | 0 | 112.2 | K26 K27 I28 K34 | K26-D30 WeakPolarHBondContact O-CB 3.4Å; K26-D30 PolarHBondContact O-N 3.34Å; K27-D30 PolarHBondContact O-N 3.03Å; I28-D30 PolarHBondContact O-N 2.94Å; D30-K34 WeakPolarHBondContact O-CD 3.32Å; D30-K34 VanDerWaalsContact O-CG 3.26Å; D30-K34 WeakPolarHBondContact O-CG 3.43Å; D30-K34 PolarHBondContact O-N 3.22Å |
| 31 | V | 90.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.3 | -46 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | K27 I28 K29 K34 K35 T208 L212 | K27-V31 WeakPolarHBondContact O-CG2 3.37Å; K27-V31 PolarHBondContact O-N 2.98Å; I28-V31 PolarHBondContact O-N 3.34Å; K29-V31 VanDerWaalsContact C-N 3.35Å; K29-V31 PolarHBondContact O-N 3.26Å; V31-K34 PolarHBondContact O-N 3.18Å; V31-K35 HydrophobicContact CG1-CD 4.11Å; V31-K35 WeakPolarHBondContact O-CB 3.38Å; V31-K35 PolarHBondContact O-N 3.34Å; V31-T208 HydrophobicContact CB-CG2 3.89Å; V31-T208 HydrophobicContact CG1-CG2 4.02Å; V31-T208 HydrophobicContact CG2-CG2 4.3Å; V31-L212 HydrophobicContact CG1-CD1 4.22Å |
| 32 | L | 91.7 | Very high | 92 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.3 | -68.1 | 176.5 | 0 | 0 | 0 | 111.4 | I28 K29 K34 K35 A36 V41 V117 L211 L212 | I28-L32 HydrophobicContact CG2-CD1 3.9Å; I28-L32 HydrophobicContact CG2-CG 4.38Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 2.71Å; K29-L32 PolarHBondContact O-N 2.97Å; L32-K34 PolarHBondContact O-N 2.89Å; L32-K35 PolarHBondContact O-N 3.41Å; L32-K35 VanDerWaalsContact O-N 3.16Å; L32-A36 HydrophobicContact CB-CB 4.49Å; L32-A36 WeakPolarHBondContact O-CA 3.49Å; L32-A36 WeakPolarHBondContact O-CB 2.98Å; L32-A36 PolarHBondContact O-N 2.89Å; L32-V41 HydrophobicContact CB-CG2 3.89Å; L32-V41 HydrophobicContact CD1-CG1 4.1Å; L32-V41 HydrophobicContact CD1-CG2 4.18Å; L32-V117 HydrophobicContact CD1-CG1 4.42Å; L32-L211 HydrophobicContact CD1-CD1 4.26Å; L32-L211 HydrophobicContact CD2-CB 3.89Å; L32-L212 HydrophobicContact CD2-CD2 3.83Å; L32-L212 HydrophobicContact CD2-CG 3.94Å |
| 33 | Y | 90.6 | Very high | 92.1 | Very high | 189 Ų | 189 | 67.9 Ų | 67.9 | 74% | 0.741 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -54.8 | -39.7 | 176.5 | -179.5 | -98.2 | 0 | 0 | 0 | 112.3 | K29 | K29-Y33 VanDerWaalsContact O-CB 3.24Å; K29-Y33 WeakPolarHBondContact O-CB 3.46Å; K29-Y33 PolarHBondContact O-N 3.13Å |
| 34 | K | 91 | Very high | 92.3 | Very high | 169 Ų | 169 | 63.2 Ų | 63.2 | 74% | 0.735 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.3 | -31.8 | -179.9 | -72 | 172 | -175.4 | 174.7 | 0 | 114 | D30 V31 L32 | D30-K34 WeakPolarHBondContact O-CD 3.32Å; D30-K34 VanDerWaalsContact O-CG 3.26Å; D30-K34 WeakPolarHBondContact O-CG 3.43Å; D30-K34 PolarHBondContact O-N 3.22Å; V31-K34 PolarHBondContact O-N 3.18Å; L32-K34 PolarHBondContact O-N 2.89Å |
| 35 | K | 92.2 | Very high | 92.4 | Very high | 117 Ų | 117 | 64.6 Ų | 64.6 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -117.6 | -16.3 | -165.9 | -68.7 | -176.4 | 175 | -176.6 | 0 | 114.9 | V31 L32 K37 L212 | V31-K35 HydrophobicContact CG1-CD 4.11Å; V31-K35 WeakPolarHBondContact O-CB 3.38Å; V31-K35 PolarHBondContact O-N 3.34Å; L32-K35 PolarHBondContact O-N 3.41Å; L32-K35 VanDerWaalsContact O-N 3.16Å; K35-K37 PolarHBondContact O-N 3Å; K35-K37 VanDerWaalsContact O-N 3.1Å; K35-L212 HydrophobicContact CB-CD1 3.63Å; K35-L212 HydrophobicContact CB-CD2 3.5Å; K35-L212 VanDerWaalsContact CB-CD2 3.5Å; K35-L212 HydrophobicContact CB-CG 4.23Å; K35-L212 HydrophobicContact CD-CD1 3.5Å; K35-L212 VanDerWaalsContact CD-CD1 3.5Å; K35-L212 HydrophobicContact CG-CD1 4.24Å |
| 36 | A | 86 | Confident | 92.5 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -85.3 | 33.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L32 G38 K39 L212 V215 | L32-A36 HydrophobicContact CB-CB 4.49Å; L32-A36 WeakPolarHBondContact O-CA 3.49Å; L32-A36 WeakPolarHBondContact O-CB 2.98Å; L32-A36 PolarHBondContact O-N 2.89Å; A36-G38 VanDerWaalsContact C-N 3.3Å; A36-G38 PolarHBondContact O-N 3.31Å; A36-K39 HydrophobicContact CB-CB 3.84Å; A36-K39 HydrophobicContact CB-CG 4.26Å; A36-K39 WeakPolarHBondContact O-CB 3.41Å; A36-K39 WeakPolarHBondContact O-CG 3.24Å; A36-K39 PolarHBondContact O-N 3.48Å; A36-L212 HydrophobicContact CB-CD2 3.85Å; A36-V215 HydrophobicContact CB-CG1 4.14Å |
| 37 | K | 87.2 | Confident | 92.5 | Very high | 172 Ų | 172 | 59.2 Ų | 59.2 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 42.5 | 168.6 | -58.2 | -180 | -176.5 | 172.7 | 0 | 116.3 | K35 N216 | K35-K37 PolarHBondContact O-N 3Å; K35-K37 VanDerWaalsContact O-N 3.1Å; K37-N216 WeakPolarHBondContact CG-OD1 3.28Å |
| 38 | G | 87.2 | Confident | 92.6 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 78% | 0.784 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 9.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | A36 | A36-G38 VanDerWaalsContact C-N 3.3Å; A36-G38 PolarHBondContact O-N 3.31Å |
| 39 | K | 89.8 | Confident | 92.7 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 29% | 0.287 | S | S | . | . | trans | -72 | 140.6 | 177.2 | -63.7 | -82.6 | -174.8 | -171.8 | 0 | 111.7 | A36 D116 V215 | A36-K39 HydrophobicContact CB-CB 3.84Å; A36-K39 HydrophobicContact CB-CG 4.26Å; A36-K39 WeakPolarHBondContact O-CB 3.41Å; A36-K39 WeakPolarHBondContact O-CG 3.24Å; A36-K39 PolarHBondContact O-N 3.48Å; K39-D116 WeakPolarHBondContact CA-OD2 3.35Å; K39-D116 HydrophobicContact CB-CB 4.07Å; K39-D116 WeakPolarHBondContact CB-OD2 3.45Å; K39-D116 HydrophobicContact CD-CB 3.83Å; K39-D116 WeakPolarHBondContact CD-OD1 3.36Å; K39-D116 VanDerWaalsContact CD-OD2 3.24Å; K39-D116 WeakPolarHBondContact CD-OD2 3.44Å; K39-D116 WeakPolarHBondContact CE-OD1 3.35Å; K39-D116 IonicContact NZ-OD1 3.57Å; K39-D116 PolarHBondContact NZ-OD1 3.04Å; K39-V215 HydrophobicContact CB-CG1 3.74Å; K39-V215 HydrophobicContact CD-CG1 3.83Å; K39-V215 WeakPolarHBondContact CE-O 3.06Å; K39-V215 HydrophobicContact CG-CG1 3.49Å; K39-V215 VanDerWaalsContact CG-CG1 3.49Å | ||
| 40 | K | 92.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | trans | -89.5 | 127.4 | -176.5 | -64.8 | -176.1 | -173.9 | 179 | 0 | 110.8 | P112 D114 V115 D116 V117 | K40-P112 HydrophobicContact CD-CG 3.96Å; K40-D114 VanDerWaalsContact CD-OD1 3.31Å; K40-D114 WeakPolarHBondContact CD-OD1 3.34Å; K40-D114 WeakPolarHBondContact CE-OD1 3.22Å; K40-D114 WeakPolarHBondContact CE-OD2 3.4Å; K40-D114 IonicContact NZ-OD1 3.42Å; K40-D114 PolarHBondContact NZ-OD1 2.94Å; K40-D114 IonicContact NZ-OD2 2.65Å; K40-D114 PolarHBondContact NZ-OD2 3.45Å; K40-V115 HydrophobicContact CB-CG2 4.49Å; K40-D116 PolarHBondContact N-OD2 2.93Å; K40-D116 PolarHBondContact O-N 3.28Å; K40-V117 PolarHBondContact O-N 3.34Å | ||
| 41 | V | 94.2 | Very high | 93 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | K29 L32 V117 I119 | K29-V41 WeakPolarHBondContact CE-O 3.22Å; K29-V41 HydrophobicContact CG-CG1 4.26Å; K29-V41 PolarHBondContact NZ-O 3.45Å; L32-V41 HydrophobicContact CB-CG2 3.89Å; L32-V41 HydrophobicContact CD1-CG1 4.1Å; L32-V41 HydrophobicContact CD1-CG2 4.18Å; V41-V117 WeakPolarHBondContact CA-O 3.29Å; V41-V117 HydrophobicContact CB-CB 4.48Å; V41-V117 HydrophobicContact CG1-CB 4.15Å; V41-V117 HydrophobicContact CG1-CG1 4.26Å; V41-V117 HydrophobicContact CG2-CB 4.12Å; V41-V117 HydrophobicContact CG2-CG2 4.42Å; V41-I119 HydrophobicContact CG1-CD1 4.36Å |
| 42 | E | 95.6 | Very high | 93.1 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 20% | 0.201 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.3 | 176.8 | -76.5 | -53.4 | 125.7 | 0 | 0 | 113.1 | K29 Q109 V115 V117 V118 I119 | K29-E42 IonicContact NZ-OE1 3.63Å; K29-E42 IonicContact NZ-OE2 3.36Å; E42-Q109 PolarHBondContact OE2-NE2 3.23Å; E42-V115 HydrophobicContact CB-CG2 4.25Å; E42-V115 HydrophobicContact CG-CG2 4.29Å; E42-V117 PolarHBondContact N-O 2.89Å; E42-V118 CarbonylContact O-C 3.57Å; E42-V118 WeakPolarHBondContact O-CA 3.34Å; E42-I119 PolarHBondContact O-N 2.93Å |
| 43 | V | 96.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.2 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | C25 K29 Q109 I119 E121 | C25-V43 HydrophobicContact CB-CG1 4.31Å; K29-V43 HydrophobicContact CB-CG2 4.26Å; K29-V43 HydrophobicContact CD-CG2 3.79Å; K29-V43 HydrophobicContact CG-CG2 4.46Å; V43-Q109 PolarHBondContact O-NE2 2.87Å; V43-Q109 PolarHBondContact O-OE1 2.72Å; V43-I119 CarbonylContact C-O 3.6Å; V43-I119 VanDerWaalsContact CA-O 3.28Å; V43-I119 WeakPolarHBondContact CA-O 3.26Å; V43-I119 HydrophobicContact CG2-CB 4.06Å; V43-I119 HydrophobicContact CG2-CD1 4.17Å; V43-E121 HydrophobicContact CG1-CG 4.15Å |
| 44 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 175.9 | -54.3 | -172.7 | 0 | 0 | 0 | 108.9 | F49 V82 L83 I86 L94 V111 V118 I119 V120 E121 | L44-F49 HydrophobicContact CB-CE2 4.49Å; L44-V82 HydrophobicContact CD1-CG1 4.35Å; L44-L83 HydrophobicContact CD1-CD2 4.47Å; L44-I86 HydrophobicContact CD1-CD1 3.8Å; L44-L94 HydrophobicContact CD1-CD1 4.12Å; L44-L94 HydrophobicContact CD2-CD1 3.59Å; L44-L94 HydrophobicContact CG-CD1 4.37Å; L44-V111 HydrophobicContact CD2-CG2 3.8Å; L44-V118 HydrophobicContact CD1-CG1 3.8Å; L44-V118 HydrophobicContact CG-CG1 3.86Å; L44-I119 PolarHBondContact N-O 3.15Å; L44-V120 HydrophobicContact CB-CG2 4.34Å; L44-V120 HydrophobicContact CD1-CG2 4.44Å; L44-V120 CarbonylContact O-C 3.55Å; L44-V120 WeakPolarHBondContact O-CA 3.46Å; L44-E121 PolarHBondContact O-N 3.1Å |
| 45 | S | 96.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.3 | 171.3 | -168 | 0 | 0 | 0 | 0 | 110.2 | S47 S48 F49 E121 | S45-S47 PolarHBondContact O-N 2.89Å; S45-S47 VanDerWaalsContact O-N 3.12Å; S45-S47 PolarHBondContact OG-OG 3.36Å; S45-S47 VanDerWaalsContact OG-OG 3.07Å; S45-S48 WeakPolarHBondContact O-CB 3.25Å; S45-S48 PolarHBondContact O-N 3.29Å; S45-F49 WeakPolarHBondContact O-CD2 3.49Å; S45-E121 WeakPolarHBondContact CB-OE1 3.37Å; S45-E121 PolarHBondContact OG-OE1 3.41Å |
| 46 | L | 96.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59.3 | -22.8 | 174.1 | -173.5 | 62.6 | 0 | 0 | 0 | 111.7 | S48 F49 F74 F76 L79 E121 L124 | L46-S48 PolarHBondContact O-N 3.49Å; L46-F49 WeakPolarHBondContact O-CB 3.09Å; L46-F49 PolarHBondContact O-N 2.74Å; L46-F74 HydrophobicContact CD1-CD1 4.15Å; L46-F74 HydrophobicContact CD2-CD1 4.14Å; L46-F74 HydrophobicContact CD2-CE1 3.97Å; L46-F74 HydrophobicContact CD2-CZ 4.28Å; L46-F74 HydrophobicContact CG-CD1 3.67Å; L46-F74 HydrophobicContact CG-CE1 3.7Å; L46-F74 HydrophobicContact CG-CG 4.43Å; L46-F74 HydrophobicContact CG-CZ 4.5Å; L46-F76 HydrophobicContact CD1-CE1 4.28Å; L46-L79 HydrophobicContact CD1-CD2 3.62Å; L46-E121 WeakPolarHBondContact CB-O 3.4Å; L46-E121 PolarHBondContact N-O 3.11Å; L46-L124 HydrophobicContact CD2-CB 3.99Å |
| 47 | S | 93.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -63 | -27 | 174.2 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | S45 F49 Y50 Y97 | S45-S47 PolarHBondContact O-N 2.89Å; S45-S47 VanDerWaalsContact O-N 3.12Å; S45-S47 PolarHBondContact OG-OG 3.36Å; S45-S47 VanDerWaalsContact OG-OG 3.07Å; S47-F49 PolarHBondContact O-N 2.8Å; S47-F49 VanDerWaalsContact O-N 3.1Å; S47-Y50 WeakPolarHBondContact O-CD2 2.86Å; S47-Y50 PolarHBondContact O-N 2.85Å; S47-Y97 WeakPolarHBondContact O-CB 3.15Å |
| 48 | S | 95.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 53 Ų | 53 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69 | -3.1 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | S45 L46 | S45-S48 WeakPolarHBondContact O-CB 3.25Å; S45-S48 PolarHBondContact O-N 3.29Å; L46-S48 PolarHBondContact O-N 3.49Å |
| 49 | F | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -118.4 | 21.5 | 179.6 | -56.2 | -92.2 | 0 | 0 | 0 | 111.6 | L44 S45 L46 S47 F74 D75 Y78 L79 V82 L94 | L44-F49 HydrophobicContact CB-CE2 4.49Å; S45-F49 WeakPolarHBondContact O-CD2 3.49Å; L46-F49 WeakPolarHBondContact O-CB 3.09Å; L46-F49 PolarHBondContact O-N 2.74Å; S47-F49 PolarHBondContact O-N 2.8Å; S47-F49 VanDerWaalsContact O-N 3.1Å; F49-F74 CarbonylContact O-C 3.46Å; F49-F74 VanDerWaalsContact O-CA 3.31Å; F49-F74 WeakPolarHBondContact O-CA 3.33Å; F49-D75 PolarHBondContact O-N 2.89Å; F49-Y78 AromaticContact CD1-CD1 3.6Å; F49-Y78 HydrophobicContact CD1-CD1 3.6Å; F49-Y78 HydrophobicContact CD1-CE1 4.03Å; F49-Y78 HydrophobicContact CD1-CG 4.42Å; F49-Y78 AromaticContact CE1-CD1 3.97Å; F49-Y78 HydrophobicContact CE1-CD1 3.97Å; F49-Y78 HydrophobicContact CE1-CE1 4.03Å; F49-L79 HydrophobicContact CD1-CB 3.68Å; F49-L79 HydrophobicContact CD1-CD1 4.03Å; F49-L79 HydrophobicContact CD1-CG 4.43Å; F49-L79 HydrophobicContact CD2-CD1 4.03Å; F49-L79 HydrophobicContact CE1-CB 4.05Å; F49-L79 HydrophobicContact CE1-CD1 3.73Å; F49-L79 HydrophobicContact CE2-CD1 3.73Å; F49-L79 HydrophobicContact CG-CB 4.07Å; F49-L79 HydrophobicContact CG-CD1 4.17Å; F49-L79 HydrophobicContact CZ-CD1 3.57Å; F49-V82 HydrophobicContact CE1-CB 4.11Å; F49-V82 HydrophobicContact CE1-CG1 4.29Å; F49-V82 HydrophobicContact CE1-CG2 4.04Å; F49-V82 HydrophobicContact CZ-CB 4.48Å; F49-V82 HydrophobicContact CZ-CG1 4.17Å; F49-L94 HydrophobicContact CE1-CD2 4.24Å; F49-L94 HydrophobicContact CE2-CD1 4.5Å; F49-L94 HydrophobicContact CZ-CD1 3.91Å; F49-L94 HydrophobicContact CZ-CD2 4.17Å |
| 50 | Y | 96.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 17% | 0.169 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 137.7 | 162.2 | -79.1 | -61.6 | 0 | 0 | 0 | 109.2 | S47 F68 S73 F74 Y97 | S47-Y50 WeakPolarHBondContact O-CD2 2.86Å; S47-Y50 PolarHBondContact O-N 2.85Å; Y50-F68 HydrophobicContact CD1-CD1 4.22Å; Y50-F68 HydrophobicContact CE1-CB 4.1Å; Y50-F68 AromaticContact CE1-CD1 3.91Å; Y50-F68 HydrophobicContact CE1-CD1 3.91Å; Y50-F68 WeakPolarHBondContact CE1-O 3.03Å; Y50-F68 PolarHBondContact OH-O 2.7Å; Y50-S73 WeakPolarHBondContact CA-O 3.39Å; Y50-S73 WeakPolarHBondContact CD1-O 3.45Å; Y50-F74 HydrophobicContact CD1-CD1 4.05Å; Y50-F74 AromaticContact CD1-CE1 3.87Å; Y50-F74 HydrophobicContact CD1-CE1 3.87Å; Y50-F74 HydrophobicContact CD1-CZ 4.36Å; Y50-F74 HydrophobicContact CE1-CD1 4.03Å; Y50-F74 AromaticContact CE1-CE1 3.4Å; Y50-F74 HydrophobicContact CE1-CE1 3.4Å; Y50-F74 VanDerWaalsContact CE1-CE1 3.4Å; Y50-F74 HydrophobicContact CE1-CE2 4.26Å; Y50-F74 AromaticContact CE1-CZ 3.54Å; Y50-F74 HydrophobicContact CE1-CZ 3.54Å; Y50-F74 HydrophobicContact CE2-CE1 4.41Å; Y50-F74 AromaticContact CZ-CE1 3.71Å; Y50-F74 AromaticContact CZ-CZ 3.9Å; Y50-Y97 AromaticContact CD2-CD1 3.59Å; Y50-Y97 HydrophobicContact CD2-CD1 3.59Å; Y50-Y97 HydrophobicContact CD2-CD2 4.3Å; Y50-Y97 AromaticContact CD2-CE1 3.4Å; Y50-Y97 HydrophobicContact CD2-CE1 3.4Å; Y50-Y97 VanDerWaalsContact CD2-CE1 3.4Å; Y50-Y97 HydrophobicContact CD2-CE2 4.16Å; Y50-Y97 HydrophobicContact CD2-CG 4.02Å; Y50-Y97 AromaticContact CD2-CZ 3.71Å; Y50-Y97 HydrophobicContact CE2-CD1 4.18Å; Y50-Y97 AromaticContact CE2-CE1 3.98Å; Y50-Y97 HydrophobicContact CE2-CE1 3.98Å; Y50-Y97 HydrophobicContact CG-CE1 4.19Å; Y50-Y97 HydrophobicContact CG-CE2 4.31Å |
| 51 | R | 94.6 | Very high | 95 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 160.6 | 170.3 | 67 | 170.1 | 174.8 | 85.4 | -1.3 | 110.3 | E57 N72 S73 D75 | R51-E57 IonicContact CZ-OE1 2.77Å; R51-E57 IonicContact CZ-OE2 2.62Å; R51-E57 IonicContact NH1-OE1 3.08Å; R51-E57 PolarHBondContact NH1-OE1 2.95Å; R51-E57 IonicContact NH1-OE2 2.72Å; R51-E57 PolarHBondContact NH1-OE2 2.77Å; R51-E57 IonicContact NH2-OE1 2.82Å; R51-E57 PolarHBondContact NH2-OE1 3.13Å; R51-E57 IonicContact NH2-OE2 2.64Å; R51-N72 WeakPolarHBondContact CD-O 3.32Å; R51-N72 PolarHBondContact NE-O 3.15Å; R51-S73 PolarHBondContact N-O 3.03Å; R51-D75 HydrophobicContact CB-CB 4.43Å |
| 52 | E | 93.2 | Very high | 94.8 | Very high | 175 Ų | 175 | 56.2 Ų | 56.2 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 138.3 | 167.6 | -65.3 | -177.8 | 175.3 | 0 | 0 | 110.4 | ||
| 53 | L | 93.7 | Very high | 94.5 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 140.8 | 175.2 | -60.7 | -174.1 | 0 | 0 | 0 | 109.4 | E57 L58 A61 F66 F68 | L53-E57 HydrophobicContact CB-CB 4.01Å; L53-E57 HydrophobicContact CD2-CB 4.27Å; L53-L58 HydrophobicContact CB-CB 4.48Å; L53-A61 HydrophobicContact CD1-CB 3.89Å; L53-F66 HydrophobicContact CD2-CD1 4.48Å; L53-F66 HydrophobicContact CD2-CE1 3.73Å; L53-F66 HydrophobicContact CD2-CE2 4.1Å; L53-F66 HydrophobicContact CD2-CZ 3.51Å; L53-F68 HydrophobicContact CD1-CE1 4.11Å; L53-F68 HydrophobicContact CD1-CZ 4.03Å |
| 54 | S | 94.9 | Very high | 94 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 42% | 0.42 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 162.5 | 165 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | D56 E57 L58 | S54-D56 PolarHBondContact O-N 3.34Å; S54-D56 VanDerWaalsContact O-N 3.16Å; S54-E57 PolarHBondContact N-OE2 3.08Å; S54-E57 PolarHBondContact O-N 3.1Å; S54-E57 VanDerWaalsContact OG-CD 3.25Å; S54-E57 WeakPolarHBondContact OG-CG 3.25Å; S54-E57 PolarHBondContact OG-N 2.9Å; S54-E57 PolarHBondContact OG-OE2 2.85Å; S54-L58 PolarHBondContact O-N 2.82Å |
| 55 | D | 94.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.6 | -36.6 | 179.1 | -69.3 | -18.2 | 0 | 0 | 0 | 113 | K59 | D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 2.83Å |
| 56 | D | 96.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 63.7 Ų | 63.7 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.7 | -37 | 178.7 | -71 | -24.7 | 0 | 0 | 0 | 112.2 | S54 L58 K59 L60 | S54-D56 PolarHBondContact O-N 3.34Å; S54-D56 VanDerWaalsContact O-N 3.16Å; D56-L58 VanDerWaalsContact C-N 3.35Å; D56-K59 PolarHBondContact O-N 2.78Å; D56-K59 IonicContact OD1-NZ 2.81Å; D56-K59 PolarHBondContact OD1-NZ 2.83Å; D56-L60 WeakPolarHBondContact O-CG 3.29Å; D56-L60 PolarHBondContact O-N 3.22Å; D56-L60 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 96 | Very high | 93.6 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 173.7 | -69.1 | 170.5 | 138.5 | 0 | 0 | 112 | R51 L53 S54 K59 L60 A61 F66 | R51-E57 IonicContact CZ-OE1 2.77Å; R51-E57 IonicContact CZ-OE2 2.62Å; R51-E57 IonicContact NH1-OE1 3.08Å; R51-E57 PolarHBondContact NH1-OE1 2.95Å; R51-E57 IonicContact NH1-OE2 2.72Å; R51-E57 PolarHBondContact NH1-OE2 2.77Å; R51-E57 IonicContact NH2-OE1 2.82Å; R51-E57 PolarHBondContact NH2-OE1 3.13Å; R51-E57 IonicContact NH2-OE2 2.64Å; L53-E57 HydrophobicContact CB-CB 4.01Å; L53-E57 HydrophobicContact CD2-CB 4.27Å; S54-E57 PolarHBondContact N-OE2 3.08Å; S54-E57 PolarHBondContact O-N 3.1Å; S54-E57 VanDerWaalsContact OG-CD 3.25Å; S54-E57 WeakPolarHBondContact OG-CG 3.25Å; S54-E57 PolarHBondContact OG-N 2.9Å; S54-E57 PolarHBondContact OG-OE2 2.85Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-L60 WeakPolarHBondContact O-CB 3.34Å; E57-L60 PolarHBondContact O-N 2.98Å; E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 3.09Å; E57-F66 HydrophobicContact CB-CD2 4.03Å; E57-F66 HydrophobicContact CB-CE2 3.82Å; E57-F66 HydrophobicContact CG-CD2 4.23Å; E57-F66 HydrophobicContact CG-CE2 3.76Å |
| 58 | L | 93.6 | Very high | 93.6 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.6 | -177.1 | 61.5 | 0 | 0 | 0 | 111 | L53 S54 D56 L60 A61 L62 Y102 | L53-L58 HydrophobicContact CB-CB 4.48Å; S54-L58 PolarHBondContact O-N 2.82Å; D56-L58 VanDerWaalsContact C-N 3.35Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.28Å; L58-A61 PolarHBondContact O-N 2.8Å; L58-L62 HydrophobicContact CG-CD1 4.27Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.48Å; L58-L62 PolarHBondContact O-N 3.07Å; L58-Y102 HydrophobicContact CD1-CD2 4.2Å |
| 59 | K | 94.7 | Very high | 93.7 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 172.8 | -68.8 | 167 | -158.6 | 157.4 | 0 | 111.4 | D55 D56 E57 L62 N63 | D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 2.83Å; D56-K59 PolarHBondContact O-N 2.78Å; D56-K59 IonicContact OD1-NZ 2.81Å; D56-K59 PolarHBondContact OD1-NZ 2.83Å; E57-K59 VanDerWaalsContact C-N 3.34Å; K59-L62 PolarHBondContact O-N 2.83Å; K59-N63 PolarHBondContact O-N 3.09Å; K59-N63 PolarHBondContact O-ND2 2.86Å |
| 60 | L | 94.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175.7 | -67.5 | 172.7 | 0 | 0 | 0 | 111.4 | D56 E57 L58 L62 N63 S64 E65 F66 | D56-L60 WeakPolarHBondContact O-CG 3.29Å; D56-L60 PolarHBondContact O-N 3.22Å; D56-L60 VanDerWaalsContact O-N 3.13Å; E57-L60 WeakPolarHBondContact O-CB 3.34Å; E57-L60 PolarHBondContact O-N 2.98Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.28Å; L60-L62 PolarHBondContact O-N 2.86Å; L60-N63 CarbonylContact O-C 3.46Å; L60-N63 PolarHBondContact O-N 3.48Å; L60-N63 VanDerWaalsContact O-N 3.12Å; L60-S64 PolarHBondContact O-N 2.87Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L60-E65 HydrophobicContact CB-CB 4.32Å; L60-E65 HydrophobicContact CD2-CB 4.04Å; L60-E65 WeakPolarHBondContact O-CA 3.44Å; L60-E65 PolarHBondContact O-N 3.31Å; L60-F66 HydrophobicContact CB-CB 4.19Å |
| 61 | A | 91.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L53 E57 L58 N63 S64 F66 F68 Y102 | L53-A61 HydrophobicContact CD1-CB 3.89Å; E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 3.09Å; L58-A61 PolarHBondContact O-N 2.8Å; A61-N63 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.45Å; A61-F66 HydrophobicContact CB-CB 3.97Å; A61-F66 HydrophobicContact CB-CG 4.48Å; A61-F68 HydrophobicContact CB-CE2 3.93Å; A61-F68 HydrophobicContact CB-CZ 3.67Å; A61-Y102 HydrophobicContact CB-CD1 4.28Å; A61-Y102 HydrophobicContact CB-CD2 4.02Å; A61-Y102 HydrophobicContact CB-CE1 4.3Å; A61-Y102 HydrophobicContact CB-CE2 4.03Å; A61-Y102 HydrophobicContact CB-CG 4.13Å; A61-Y102 PolarHBondContact O-OH 2.79Å |
| 62 | L | 88.9 | Confident | 93.9 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.1 | -32.8 | 174.9 | -71.4 | 167.6 | 0 | 0 | 0 | 112 | L58 K59 L60 S64 Y102 | L58-L62 HydrophobicContact CG-CD1 4.27Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.48Å; L58-L62 PolarHBondContact O-N 3.07Å; K59-L62 PolarHBondContact O-N 2.83Å; L60-L62 PolarHBondContact O-N 2.86Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-Y102 HydrophobicContact CD2-CD2 4.33Å; L62-Y102 HydrophobicContact CD2-CE2 4.11Å; L62-Y102 HydrophobicContact CG-CE2 4.49Å |
| 63 | N | 89.5 | Confident | 94.1 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.8 | 174.7 | -65.5 | -22.4 | 0 | 0 | 0 | 114 | K59 L60 A61 E65 | K59-N63 PolarHBondContact O-N 3.09Å; K59-N63 PolarHBondContact O-ND2 2.86Å; L60-N63 CarbonylContact O-C 3.46Å; L60-N63 PolarHBondContact O-N 3.48Å; L60-N63 VanDerWaalsContact O-N 3.12Å; A61-N63 PolarHBondContact O-N 3.36Å; N63-E65 HydrophobicContact CB-CG 4.01Å; N63-E65 PolarHBondContact O-N 3.21Å |
| 64 | S | 87.1 | Confident | 94.3 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 28 | -172.8 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | L60 A61 L62 R162 | L60-S64 PolarHBondContact O-N 2.87Å; L60-S64 VanDerWaalsContact O-N 3.15Å; A61-S64 PolarHBondContact O-N 3.45Å; L62-S64 VanDerWaalsContact C-N 3.32Å; S64-R162 PolarHBondContact OG-NH2 2.88Å |
| 65 | E | 91.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 60 Ų | 60 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | trans | -107.8 | 16.5 | -178.2 | -60.1 | -172.2 | 129.6 | 0 | 0 | 113.4 | L60 N63 Y174 | L60-E65 HydrophobicContact CB-CB 4.32Å; L60-E65 HydrophobicContact CD2-CB 4.04Å; L60-E65 WeakPolarHBondContact O-CA 3.44Å; L60-E65 PolarHBondContact O-N 3.31Å; N63-E65 HydrophobicContact CB-CG 4.01Å; N63-E65 PolarHBondContact O-N 3.21Å; E65-Y174 VanDerWaalsContact CA-OH 3.31Å; E65-Y174 WeakPolarHBondContact CA-OH 3.31Å; E65-Y174 PolarHBondContact O-OH 2.77Å | ||
| 66 | F | 93.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -113.5 | 137.1 | 178 | -172.9 | -93.5 | 0 | 0 | 0 | 111.7 | L53 E57 L60 A61 F68 | L53-F66 HydrophobicContact CD2-CD1 4.48Å; L53-F66 HydrophobicContact CD2-CE1 3.73Å; L53-F66 HydrophobicContact CD2-CE2 4.1Å; L53-F66 HydrophobicContact CD2-CZ 3.51Å; E57-F66 HydrophobicContact CB-CD2 4.03Å; E57-F66 HydrophobicContact CB-CE2 3.82Å; E57-F66 HydrophobicContact CG-CD2 4.23Å; E57-F66 HydrophobicContact CG-CE2 3.76Å; L60-F66 HydrophobicContact CB-CB 4.19Å; A61-F66 HydrophobicContact CB-CB 3.97Å; A61-F66 HydrophobicContact CB-CG 4.48Å; F66-F68 HydrophobicContact CB-CE2 4.18Å; F66-F68 AromaticContact CD1-CD1 3.9Å; F66-F68 HydrophobicContact CD1-CD1 3.9Å; F66-F68 AromaticContact CD1-CD2 3.8Å; F66-F68 HydrophobicContact CD1-CD2 3.8Å; F66-F68 AromaticContact CD1-CE1 3.77Å; F66-F68 HydrophobicContact CD1-CE1 3.77Å; F66-F68 AromaticContact CD1-CE2 3.66Å; F66-F68 HydrophobicContact CD1-CE2 3.66Å; F66-F68 AromaticContact CD1-CG 3.91Å; F66-F68 HydrophobicContact CD1-CG 3.91Å; F66-F68 AromaticContact CD1-CZ 3.64Å; F66-F68 HydrophobicContact CD1-CZ 3.64Å; F66-F68 AromaticContact CE1-CD1 3.94Å; F66-F68 HydrophobicContact CE1-CD1 3.94Å; F66-F68 AromaticContact CE1-CE1 3.94Å; F66-F68 HydrophobicContact CE1-CE1 3.94Å; F66-F68 HydrophobicContact CE1-CG 4.28Å; F66-F68 HydrophobicContact CE1-CZ 4.26Å; F66-F68 HydrophobicContact CG-CE2 4.37Å; F66-F68 HydrophobicContact CG-CZ 4.45Å; F66-F68 PolarHBondContact O-N 2.93Å |
| 67 | D | 95.2 | Very high | 94.6 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.203 | 29% | 0.289 | C | S | . | . | trans | -89.3 | 91.5 | -179.6 | -168.9 | -9.6 | 0 | 0 | 0 | 111.7 | D69 H70 S73 Y174 | D67-D69 PolarHBondContact O-N 2.85Å; D67-D69 WeakPolarHBondContact OD1-CA 3.28Å; D67-D69 PolarHBondContact OD1-N 3.11Å; D67-H70 HydrophobicContact CB-CB 4.15Å; D67-H70 PolarHBondContact OD1-N 2.61Å; D67-H70 VanDerWaalsContact OD1-N 3.09Å; D67-S73 PolarHBondContact O-OG 2.98Å; D67-Y174 HydrophobicContact CB-CD1 3.5Å; D67-Y174 VanDerWaalsContact CB-CD1 3.5Å; D67-Y174 HydrophobicContact CB-CE1 3.93Å; D67-Y174 HydrophobicContact CB-CG 4.15Å | ||
| 68 | F | 94.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.5 | 173.8 | -71.2 | -79.7 | 0 | 0 | 0 | 113.5 | Y50 L53 A61 F66 Y102 | Y50-F68 HydrophobicContact CD1-CD1 4.22Å; Y50-F68 HydrophobicContact CE1-CB 4.1Å; Y50-F68 AromaticContact CE1-CD1 3.91Å; Y50-F68 HydrophobicContact CE1-CD1 3.91Å; Y50-F68 WeakPolarHBondContact CE1-O 3.03Å; Y50-F68 PolarHBondContact OH-O 2.7Å; L53-F68 HydrophobicContact CD1-CE1 4.11Å; L53-F68 HydrophobicContact CD1-CZ 4.03Å; A61-F68 HydrophobicContact CB-CE2 3.93Å; A61-F68 HydrophobicContact CB-CZ 3.67Å; F66-F68 HydrophobicContact CB-CE2 4.18Å; F66-F68 AromaticContact CD1-CD1 3.9Å; F66-F68 HydrophobicContact CD1-CD1 3.9Å; F66-F68 AromaticContact CD1-CD2 3.8Å; F66-F68 HydrophobicContact CD1-CD2 3.8Å; F66-F68 AromaticContact CD1-CE1 3.77Å; F66-F68 HydrophobicContact CD1-CE1 3.77Å; F66-F68 AromaticContact CD1-CE2 3.66Å; F66-F68 HydrophobicContact CD1-CE2 3.66Å; F66-F68 AromaticContact CD1-CG 3.91Å; F66-F68 HydrophobicContact CD1-CG 3.91Å; F66-F68 AromaticContact CD1-CZ 3.64Å; F66-F68 HydrophobicContact CD1-CZ 3.64Å; F66-F68 AromaticContact CE1-CD1 3.94Å; F66-F68 HydrophobicContact CE1-CD1 3.94Å; F66-F68 AromaticContact CE1-CE1 3.94Å; F66-F68 HydrophobicContact CE1-CE1 3.94Å; F66-F68 HydrophobicContact CE1-CG 4.28Å; F66-F68 HydrophobicContact CE1-CZ 4.26Å; F66-F68 HydrophobicContact CG-CE2 4.37Å; F66-F68 HydrophobicContact CG-CZ 4.45Å; F66-F68 PolarHBondContact O-N 2.93Å; F68-Y102 AromaticContact CE1-CD1 3.91Å; F68-Y102 HydrophobicContact CE1-CD1 3.91Å; F68-Y102 HydrophobicContact CE1-CE1 4.46Å; F68-Y102 AromaticContact CE2-CD1 3.81Å; F68-Y102 HydrophobicContact CE2-CD1 3.81Å; F68-Y102 AromaticContact CE2-CE1 3.54Å; F68-Y102 HydrophobicContact CE2-CE1 3.54Å; F68-Y102 AromaticContact CZ-CD1 3.21Å; F68-Y102 HydrophobicContact CZ-CD1 3.21Å; F68-Y102 AromaticContact CZ-CE1 3.48Å; F68-Y102 HydrophobicContact CZ-CE1 3.48Å; F68-Y102 VanDerWaalsContact CZ-CE1 3.48Å; F68-Y102 HydrophobicContact CZ-CG 4.06Å |
| 69 | D | 96.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.8 | -178.4 | -60.5 | -77.2 | 0 | 0 | 0 | 112.3 | D67 I123 L124 V175 A178 | D67-D69 PolarHBondContact O-N 2.85Å; D67-D69 WeakPolarHBondContact OD1-CA 3.28Å; D67-D69 PolarHBondContact OD1-N 3.11Å; D69-I123 HydrophobicContact CB-CD1 3.83Å; D69-I123 VanDerWaalsContact OD1-CD1 3.23Å; D69-I123 WeakPolarHBondContact OD1-CD1 3.44Å; D69-L124 WeakPolarHBondContact O-CD1 3.4Å; D69-V175 WeakPolarHBondContact OD2-CG2 3.21Å; D69-A178 HydrophobicContact CB-CB 3.47Å; D69-A178 VanDerWaalsContact CB-CB 3.47Å |
| 70 | H | 97.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 25% | 0.25 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -71.1 | 141.6 | 174.7 | -168.2 | -87.5 | 0 | 0 | 0 | 112.2 | D67 N72 S73 F182 | D67-H70 HydrophobicContact CB-CB 4.15Å; D67-H70 PolarHBondContact OD1-N 2.61Å; D67-H70 VanDerWaalsContact OD1-N 3.09Å; H70-N72 VanDerWaalsContact CE1-CG 3.43Å; H70-N72 PolarHBondContact CE1-ND2 3.07Å; H70-N72 WeakPolarHBondContact ND1-CB 3.15Å; H70-N72 PolarHBondContact ND1-N 2.79Å; H70-N72 PolarHBondContact O-N 3.36Å; H70-N72 VanDerWaalsContact O-N 3.12Å; H70-S73 VanDerWaalsContact O-CB 3.29Å; H70-S73 WeakPolarHBondContact O-CB 3.43Å; H70-S73 PolarHBondContact O-N 3.36Å; H70-S73 PolarHBondContact O-OG 2.99Å; H70-F182 AromaticContact CD2-CE2 3.49Å; H70-F182 VanDerWaalsContact CD2-CE2 3.49Å; H70-F182 WeakPolarHBondContact CD2-CE2 3.47Å; H70-F182 AromaticContact CD2-CZ 3.53Å; H70-F182 AromaticContact NE2-CZ 3.59Å |
| 71 | P | 98 | Very high | 95.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -53 | -35.3 | 178.6 | -28.4 | 32.4 | 0 | 0 | 0 | 115.4 | S73 F74 F76 L124 Y127 F182 | P71-S73 PolarHBondContact O-N 3.22Å; P71-S73 VanDerWaalsContact O-N 3.15Å; P71-F74 PolarHBondContact O-N 2.93Å; P71-F74 VanDerWaalsContact O-N 3.15Å; P71-F76 HydrophobicContact CB-CE2 4.24Å; P71-F76 WeakPolarHBondContact O-CE2 3.32Å; P71-L124 HydrophobicContact CB-CD1 4.21Å; P71-L124 HydrophobicContact CG-CD1 3.87Å; P71-Y127 HydrophobicContact CB-CD1 3.83Å; P71-Y127 HydrophobicContact CB-CE1 3.36Å; P71-Y127 HydrophobicContact CB-CE2 4.37Å; P71-Y127 HydrophobicContact CG-CD1 4.06Å; P71-Y127 HydrophobicContact CG-CD2 4.13Å; P71-Y127 HydrophobicContact CG-CE1 3.58Å; P71-Y127 HydrophobicContact CG-CE2 3.62Å; P71-Y127 HydrophobicContact CG-CG 4.33Å; P71-F182 VanDerWaalsContact CD-CD2 3.44Å; P71-F182 HydrophobicContact CG-CB 4.04Å; P71-F182 HydrophobicContact CG-CD1 3.69Å; P71-F182 HydrophobicContact CG-CD2 4.1Å; P71-F182 HydrophobicContact CG-CE1 4.14Å; P71-F182 HydrophobicContact CG-CG 3.66Å |
| 72 | N | 96.7 | Very high | 95.6 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -67.5 | -8.5 | 178.5 | -64.8 | -8.3 | 0 | 0 | 0 | 114.1 | R51 H70 F74 | R51-N72 WeakPolarHBondContact CD-O 3.32Å; R51-N72 PolarHBondContact NE-O 3.15Å; H70-N72 VanDerWaalsContact CE1-CG 3.43Å; H70-N72 PolarHBondContact CE1-ND2 3.07Å; H70-N72 WeakPolarHBondContact ND1-CB 3.15Å; H70-N72 PolarHBondContact ND1-N 2.79Å; H70-N72 PolarHBondContact O-N 3.36Å; H70-N72 VanDerWaalsContact O-N 3.12Å; N72-F74 VanDerWaalsContact C-N 3.28Å |
| 73 | S | 96.4 | Very high | 96 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -79.8 | -14.9 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | Y50 R51 D67 H70 P71 | Y50-S73 WeakPolarHBondContact CA-O 3.39Å; Y50-S73 WeakPolarHBondContact CD1-O 3.45Å; R51-S73 PolarHBondContact N-O 3.03Å; D67-S73 PolarHBondContact O-OG 2.98Å; H70-S73 VanDerWaalsContact O-CB 3.29Å; H70-S73 WeakPolarHBondContact O-CB 3.43Å; H70-S73 PolarHBondContact O-N 3.36Å; H70-S73 PolarHBondContact O-OG 2.99Å; P71-S73 PolarHBondContact O-N 3.22Å; P71-S73 VanDerWaalsContact O-N 3.15Å |
| 74 | F | 97.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -106.1 | 138.7 | -178.6 | -56.4 | -83.7 | 0 | 0 | 0 | 112.5 | L46 F49 Y50 P71 N72 F76 I123 L124 | L46-F74 HydrophobicContact CD1-CD1 4.15Å; L46-F74 HydrophobicContact CD2-CD1 4.14Å; L46-F74 HydrophobicContact CD2-CE1 3.97Å; L46-F74 HydrophobicContact CD2-CZ 4.28Å; L46-F74 HydrophobicContact CG-CD1 3.67Å; L46-F74 HydrophobicContact CG-CE1 3.7Å; L46-F74 HydrophobicContact CG-CG 4.43Å; L46-F74 HydrophobicContact CG-CZ 4.5Å; F49-F74 CarbonylContact O-C 3.46Å; F49-F74 VanDerWaalsContact O-CA 3.31Å; F49-F74 WeakPolarHBondContact O-CA 3.33Å; Y50-F74 HydrophobicContact CD1-CD1 4.05Å; Y50-F74 AromaticContact CD1-CE1 3.87Å; Y50-F74 HydrophobicContact CD1-CE1 3.87Å; Y50-F74 HydrophobicContact CD1-CZ 4.36Å; Y50-F74 HydrophobicContact CE1-CD1 4.03Å; Y50-F74 AromaticContact CE1-CE1 3.4Å; Y50-F74 HydrophobicContact CE1-CE1 3.4Å; Y50-F74 VanDerWaalsContact CE1-CE1 3.4Å; Y50-F74 HydrophobicContact CE1-CE2 4.26Å; Y50-F74 AromaticContact CE1-CZ 3.54Å; Y50-F74 HydrophobicContact CE1-CZ 3.54Å; Y50-F74 HydrophobicContact CE2-CE1 4.41Å; Y50-F74 AromaticContact CZ-CE1 3.71Å; Y50-F74 AromaticContact CZ-CZ 3.9Å; P71-F74 PolarHBondContact O-N 2.93Å; P71-F74 VanDerWaalsContact O-N 3.15Å; N72-F74 VanDerWaalsContact C-N 3.28Å; F74-F76 HydrophobicContact CB-CD2 3.95Å; F74-F76 HydrophobicContact CB-CE1 4.41Å; F74-F76 HydrophobicContact CB-CE2 3.69Å; F74-F76 HydrophobicContact CB-CG 4.43Å; F74-F76 HydrophobicContact CB-CZ 3.93Å; F74-F76 HydrophobicContact CD2-CE2 4.27Å; F74-F76 HydrophobicContact CD2-CZ 4.2Å; F74-F76 HydrophobicContact CG-CE2 4.34Å; F74-F76 HydrophobicContact CG-CZ 4.24Å; F74-F76 PolarHBondContact O-N 3.24Å; F74-F76 VanDerWaalsContact O-N 3.15Å; F74-I123 HydrophobicContact CE2-CD1 4.45Å; F74-I123 HydrophobicContact CZ-CD1 4.26Å; F74-I123 HydrophobicContact CZ-CG1 4.27Å; F74-L124 HydrophobicContact CD2-CD1 4.06Å; F74-L124 HydrophobicContact CE2-CD1 3.81Å; F74-L124 HydrophobicContact CE2-CG 4.44Å |
| 75 | D | 97 | Very high | 96.9 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | trans | -83.6 | 80.2 | 165.6 | -166.9 | -16.9 | 0 | 0 | 0 | 110.7 | F49 R51 K77 Y78 L79 | F49-D75 PolarHBondContact O-N 2.89Å; R51-D75 HydrophobicContact CB-CB 4.43Å; D75-K77 PolarHBondContact O-N 3.14Å; D75-K77 WeakPolarHBondContact OD1-CB 3.46Å; D75-K77 PolarHBondContact OD1-N 3.48Å; D75-K77 VanDerWaalsContact OD1-N 3.07Å; D75-Y78 VanDerWaalsContact CG-CB 3.41Å; D75-Y78 PolarHBondContact O-N 3.32Å; D75-Y78 PolarHBondContact OD1-N 3Å; D75-L79 PolarHBondContact O-N 3.16Å | ||
| 76 | F | 98.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -21.1 | 176 | -71.7 | -73.3 | 0 | 0 | 0 | 113.9 | L46 P71 F74 L79 A80 L124 Y127 Q128 V131 | L46-F76 HydrophobicContact CD1-CE1 4.28Å; P71-F76 HydrophobicContact CB-CE2 4.24Å; P71-F76 WeakPolarHBondContact O-CE2 3.32Å; F74-F76 HydrophobicContact CB-CD2 3.95Å; F74-F76 HydrophobicContact CB-CE1 4.41Å; F74-F76 HydrophobicContact CB-CE2 3.69Å; F74-F76 HydrophobicContact CB-CG 4.43Å; F74-F76 HydrophobicContact CB-CZ 3.93Å; F74-F76 HydrophobicContact CD2-CE2 4.27Å; F74-F76 HydrophobicContact CD2-CZ 4.2Å; F74-F76 HydrophobicContact CG-CE2 4.34Å; F74-F76 HydrophobicContact CG-CZ 4.24Å; F74-F76 PolarHBondContact O-N 3.24Å; F74-F76 VanDerWaalsContact O-N 3.15Å; F76-L79 HydrophobicContact CD1-CD2 4.19Å; F76-A80 WeakPolarHBondContact O-CB 3.42Å; F76-A80 PolarHBondContact O-N 3.44Å; F76-L124 HydrophobicContact CZ-CB 3.99Å; F76-Y127 HydrophobicContact CE2-CD1 4.12Å; F76-Y127 HydrophobicContact CZ-CD1 4.21Å; F76-Q128 HydrophobicContact CB-CB 4.49Å; F76-Q128 HydrophobicContact CB-CG 3.63Å; F76-Q128 HydrophobicContact CD1-CB 4.14Å; F76-Q128 HydrophobicContact CD1-CG 3.65Å; F76-Q128 HydrophobicContact CD2-CG 3.63Å; F76-Q128 HydrophobicContact CE1-CG 4.17Å; F76-Q128 HydrophobicContact CE2-CG 4.12Å; F76-Q128 HydrophobicContact CG-CB 4.29Å; F76-Q128 HydrophobicContact CG-CG 3.36Å; F76-Q128 HydrophobicContact CZ-CG 4.38Å; F76-V131 HydrophobicContact CD1-CG2 4.47Å |
| 77 | K | 97.9 | Very high | 97.3 | Very high | 179 Ų | 179 | 45.1 Ų | 45.1 | 78% | 0.778 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -70.7 | -44.8 | 175.9 | -68.7 | -179.5 | 179.9 | 175.6 | 0 | 109.4 | D75 A80 E81 | D75-K77 PolarHBondContact O-N 3.14Å; D75-K77 WeakPolarHBondContact OD1-CB 3.46Å; D75-K77 PolarHBondContact OD1-N 3.48Å; D75-K77 VanDerWaalsContact OD1-N 3.07Å; K77-A80 PolarHBondContact O-N 3.01Å; K77-E81 PolarHBondContact O-N 2.99Å |
| 78 | Y | 97.7 | Very high | 97.3 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -43 | 173.8 | -178.6 | -127.9 | 0 | 0 | 0 | 111.9 | F49 D75 A80 E81 V82 L94 | F49-Y78 AromaticContact CD1-CD1 3.6Å; F49-Y78 HydrophobicContact CD1-CD1 3.6Å; F49-Y78 HydrophobicContact CD1-CE1 4.03Å; F49-Y78 HydrophobicContact CD1-CG 4.42Å; F49-Y78 AromaticContact CE1-CD1 3.97Å; F49-Y78 HydrophobicContact CE1-CD1 3.97Å; F49-Y78 HydrophobicContact CE1-CE1 4.03Å; D75-Y78 VanDerWaalsContact CG-CB 3.41Å; D75-Y78 PolarHBondContact O-N 3.32Å; D75-Y78 PolarHBondContact OD1-N 3Å; Y78-A80 PolarHBondContact O-N 3.36Å; Y78-E81 PolarHBondContact O-N 3.05Å; Y78-V82 HydrophobicContact CD2-CG2 4.12Å; Y78-V82 HydrophobicContact CE1-CG2 4.32Å; Y78-V82 HydrophobicContact CE2-CG2 3.68Å; Y78-V82 WeakPolarHBondContact O-CG2 3.37Å; Y78-V82 PolarHBondContact O-N 3.27Å; Y78-L94 HydrophobicContact CE1-CD2 4.18Å; Y78-L94 WeakPolarHBondContact OH-CD2 3.41Å |
| 79 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -47 | 172.7 | 177.6 | 59.5 | 0 | 0 | 0 | 112.1 | L46 F49 D75 F76 E81 V82 L83 V120 V131 | L46-L79 HydrophobicContact CD1-CD2 3.62Å; F49-L79 HydrophobicContact CD1-CB 3.68Å; F49-L79 HydrophobicContact CD1-CD1 4.03Å; F49-L79 HydrophobicContact CD1-CG 4.43Å; F49-L79 HydrophobicContact CD2-CD1 4.03Å; F49-L79 HydrophobicContact CE1-CB 4.05Å; F49-L79 HydrophobicContact CE1-CD1 3.73Å; F49-L79 HydrophobicContact CE2-CD1 3.73Å; F49-L79 HydrophobicContact CG-CB 4.07Å; F49-L79 HydrophobicContact CG-CD1 4.17Å; F49-L79 HydrophobicContact CZ-CD1 3.57Å; D75-L79 PolarHBondContact O-N 3.16Å; F76-L79 HydrophobicContact CD1-CD2 4.19Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.96Å; L79-V82 PolarHBondContact O-N 2.62Å; L79-L83 HydrophobicContact CD1-CD1 3.99Å; L79-L83 HydrophobicContact CD1-CD2 4.4Å; L79-L83 HydrophobicContact CD1-CG 3.98Å; L79-L83 HydrophobicContact CG-CD1 4.09Å; L79-L83 HydrophobicContact CG-CG 4.43Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 2.64Å; L79-V120 HydrophobicContact CD1-CG1 4.4Å; L79-V131 HydrophobicContact CD2-CG1 3.77Å; L79-V131 HydrophobicContact CD2-CG2 4.11Å; L79-V131 HydrophobicContact CG-CG1 4.24Å; L79-V131 HydrophobicContact CG-CG2 4.17Å |
| 80 | A | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F76 K77 Y78 R84 V131 M134 | F76-A80 WeakPolarHBondContact O-CB 3.42Å; F76-A80 PolarHBondContact O-N 3.44Å; K77-A80 PolarHBondContact O-N 3.01Å; Y78-A80 PolarHBondContact O-N 3.36Å; A80-R84 WeakPolarHBondContact O-CB 3.4Å; A80-R84 PolarHBondContact O-N 3Å; A80-V131 HydrophobicContact CB-CG2 4.08Å; A80-M134 HydrophobicContact CB-CE 4.18Å |
| 81 | E | 98.2 | Very high | 97.2 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.2 | -172.7 | -169.5 | 145.6 | 0 | 0 | 111.6 | K77 Y78 L79 L83 R84 K85 | K77-E81 PolarHBondContact O-N 2.99Å; Y78-E81 PolarHBondContact O-N 3.05Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.96Å; E81-L83 PolarHBondContact O-N 2.96Å; E81-R84 WeakPolarHBondContact O-CB 3.37Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 VanDerWaalsContact O-N 3.14Å; E81-K85 PolarHBondContact O-N 3.05Å; E81-K85 WeakPolarHBondContact OE1-CE 3.48Å; E81-K85 IonicContact OE1-NZ 2.61Å; E81-K85 PolarHBondContact OE1-NZ 2.63Å |
| 82 | V | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.9 | 163.3 | 0 | 0 | 0 | 0 | 111.3 | L44 F49 Y78 L79 R84 K85 I86 V92 L94 | L44-V82 HydrophobicContact CD1-CG1 4.35Å; F49-V82 HydrophobicContact CE1-CB 4.11Å; F49-V82 HydrophobicContact CE1-CG1 4.29Å; F49-V82 HydrophobicContact CE1-CG2 4.04Å; F49-V82 HydrophobicContact CZ-CB 4.48Å; F49-V82 HydrophobicContact CZ-CG1 4.17Å; Y78-V82 HydrophobicContact CD2-CG2 4.12Å; Y78-V82 HydrophobicContact CE1-CG2 4.32Å; Y78-V82 HydrophobicContact CE2-CG2 3.68Å; Y78-V82 WeakPolarHBondContact O-CG2 3.37Å; Y78-V82 PolarHBondContact O-N 3.27Å; L79-V82 PolarHBondContact O-N 2.62Å; V82-R84 VanDerWaalsContact C-N 3.25Å; V82-R84 PolarHBondContact O-N 3.03Å; V82-K85 PolarHBondContact O-N 2.78Å; V82-I86 HydrophobicContact CG1-CD1 3.83Å; V82-I86 WeakPolarHBondContact O-CG1 3.24Å; V82-I86 PolarHBondContact O-N 3.38Å; V82-V92 HydrophobicContact CG1-CG1 3.97Å; V82-V92 HydrophobicContact CG2-CG1 4.03Å; V82-L94 HydrophobicContact CG1-CD1 4.38Å; V82-L94 HydrophobicContact CG1-CD2 4.19Å; V82-L94 HydrophobicContact CG2-CD2 3.84Å |
| 83 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 177.4 | -64.3 | 178.4 | 0 | 0 | 0 | 112.2 | L10 L44 L79 E81 I86 K87 V120 V131 M134 F135 | L10-L83 HydrophobicContact CD1-CB 4.45Å; L10-L83 HydrophobicContact CD1-CD2 4.32Å; L44-L83 HydrophobicContact CD1-CD2 4.47Å; L79-L83 HydrophobicContact CD1-CD1 3.99Å; L79-L83 HydrophobicContact CD1-CD2 4.4Å; L79-L83 HydrophobicContact CD1-CG 3.98Å; L79-L83 HydrophobicContact CG-CD1 4.09Å; L79-L83 HydrophobicContact CG-CG 4.43Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 2.64Å; E81-L83 PolarHBondContact O-N 2.96Å; L83-I86 HydrophobicContact CD2-CD1 4.49Å; L83-K87 WeakPolarHBondContact O-CB 3.49Å; L83-K87 WeakPolarHBondContact O-CG 3.16Å; L83-K87 PolarHBondContact O-N 3.45Å; L83-V120 HydrophobicContact CD2-CG2 3.66Å; L83-V131 HydrophobicContact CD1-CG1 3.88Å; L83-M134 HydrophobicContact CB-SD 3.64Å; L83-M134 HydrophobicContact CD1-SD 4.47Å; L83-F135 HydrophobicContact CD1-CE1 4.36Å; L83-F135 HydrophobicContact CD1-CZ 4.31Å |
| 84 | R | 97.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -49.6 | 173.3 | -160.6 | -178.1 | -56.4 | 131.5 | 1.4 | 110.2 | A80 E81 V82 I86 K87 H88 E130 | A80-R84 WeakPolarHBondContact O-CB 3.4Å; A80-R84 PolarHBondContact O-N 3Å; E81-R84 WeakPolarHBondContact O-CB 3.37Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 VanDerWaalsContact O-N 3.14Å; V82-R84 VanDerWaalsContact C-N 3.25Å; V82-R84 PolarHBondContact O-N 3.03Å; R84-I86 PolarHBondContact O-N 2.78Å; R84-K87 WeakPolarHBondContact O-CB 3.33Å; R84-K87 PolarHBondContact O-N 3Å; R84-K87 VanDerWaalsContact O-N 3.16Å; R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 VanDerWaalsContact O-N 3.13Å; R84-H88 PolarHBondContact O-ND1 3.1Å; R84-E130 IonicContact NH2-OE1 2.7Å; R84-E130 PolarHBondContact NH2-OE1 2.94Å |
| 85 | K | 97.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.6 | -49.9 | 176 | -76.8 | 177.9 | 166 | 161.7 | 0 | 112 | E81 V82 K87 H88 G89 E90 V92 | E81-K85 PolarHBondContact O-N 3.05Å; E81-K85 WeakPolarHBondContact OE1-CE 3.48Å; E81-K85 IonicContact OE1-NZ 2.61Å; E81-K85 PolarHBondContact OE1-NZ 2.63Å; V82-K85 PolarHBondContact O-N 2.78Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 2.77Å; K85-H88 CarbonylContact O-C 3.59Å; K85-H88 WeakPolarHBondContact O-CA 3.32Å; K85-H88 PolarHBondContact O-N 3.17Å; K85-G89 PolarHBondContact O-N 2.82Å; K85-E90 HydrophobicContact CB-CB 4.01Å; K85-E90 HydrophobicContact CG-CB 4.45Å; K85-E90 WeakPolarHBondContact O-CB 3.42Å; K85-E90 PolarHBondContact O-N 2.93Å; K85-V92 HydrophobicContact CB-CG2 3.73Å; K85-V92 HydrophobicContact CD-CG2 4.34Å |
| 86 | I | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 176.4 | -69.4 | 168.8 | 0 | 0 | 0 | 111 | P8 L10 L44 V82 L83 R84 H88 G89 V92 V111 V115 V118 | P8-I86 HydrophobicContact CB-CG2 4.28Å; P8-I86 HydrophobicContact CG-CG2 4.14Å; P8-I86 WeakPolarHBondContact CG-O 3.35Å; L10-I86 HydrophobicContact CD2-CG2 4.07Å; L44-I86 HydrophobicContact CD1-CD1 3.8Å; V82-I86 HydrophobicContact CG1-CD1 3.83Å; V82-I86 WeakPolarHBondContact O-CG1 3.24Å; V82-I86 PolarHBondContact O-N 3.38Å; L83-I86 HydrophobicContact CD2-CD1 4.49Å; R84-I86 PolarHBondContact O-N 2.78Å; I86-H88 PolarHBondContact O-N 2.89Å; I86-G89 PolarHBondContact O-N 2.83Å; I86-V92 HydrophobicContact CG1-CG2 3.93Å; I86-V111 HydrophobicContact CD1-CG1 4.11Å; I86-V111 HydrophobicContact CG1-CG1 4.07Å; I86-V115 HydrophobicContact CG2-CG1 4.07Å; I86-V118 HydrophobicContact CD1-CG1 4.37Å; I86-V118 HydrophobicContact CG2-CG2 3.82Å |
| 87 | K | 95.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -25.7 | 177.6 | -80.7 | -175.1 | 174.5 | -171.9 | 0 | 114.4 | L10 L83 R84 K85 G89 M134 | L10-K87 HydrophobicContact CD1-CD 4.18Å; L10-K87 HydrophobicContact CD1-CG 3.95Å; L10-K87 HydrophobicContact CG-CG 4.43Å; L83-K87 WeakPolarHBondContact O-CB 3.49Å; L83-K87 WeakPolarHBondContact O-CG 3.16Å; L83-K87 PolarHBondContact O-N 3.45Å; R84-K87 WeakPolarHBondContact O-CB 3.33Å; R84-K87 PolarHBondContact O-N 3Å; R84-K87 VanDerWaalsContact O-N 3.16Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 2.77Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-M134 WeakPolarHBondContact CE-O 3.35Å; K87-M134 PolarHBondContact NZ-O 2.76Å |
| 88 | H | 95.2 | Very high | 95.6 | Very high | 133 Ų | 133 | 52.3 Ų | 52.3 | 62% | 0.616 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.8 | 177.2 | -68.3 | 82.1 | 0 | 0 | 0 | 112.6 | R84 K85 I86 E90 | R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 VanDerWaalsContact O-N 3.13Å; R84-H88 PolarHBondContact O-ND1 3.1Å; K85-H88 CarbonylContact O-C 3.59Å; K85-H88 WeakPolarHBondContact O-CA 3.32Å; K85-H88 PolarHBondContact O-N 3.17Å; I86-H88 PolarHBondContact O-N 2.89Å; H88-E90 VanDerWaalsContact C-N 3.32Å; H88-E90 HydrophobicContact CB-CG 4.37Å |
| 89 | G | 95 | Very high | 94.9 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 30.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K85 I86 K87 D113 | K85-G89 PolarHBondContact O-N 2.82Å; I86-G89 PolarHBondContact O-N 2.83Å; K87-G89 VanDerWaalsContact C-N 3.31Å; G89-D113 WeakPolarHBondContact O-CB 3.48Å |
| 90 | E | 96.2 | Very high | 94 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | trans | -93.3 | 134.6 | 172.8 | -65.4 | 176 | -134.2 | 0 | 0 | 109.5 | K85 H88 | K85-E90 HydrophobicContact CB-CB 4.01Å; K85-E90 HydrophobicContact CG-CB 4.45Å; K85-E90 WeakPolarHBondContact O-CB 3.42Å; K85-E90 PolarHBondContact O-N 2.93Å; H88-E90 VanDerWaalsContact C-N 3.32Å; H88-E90 HydrophobicContact CB-CG 4.37Å | ||
| 91 | P | 96.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | trans | -68.6 | 143.2 | 175.8 | 30.5 | -32.2 | 0 | 0 | 0 | 109.9 | V111 D113 | P91-V111 CarbonylContact C-O 3.5Å; P91-V111 VanDerWaalsContact CA-O 3.28Å; P91-V111 WeakPolarHBondContact CA-O 3.31Å; P91-D113 HydrophobicContact CB-CB 4.47Å | ||
| 92 | V | 97.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.9 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | V82 K85 I86 L94 V111 | V82-V92 HydrophobicContact CG1-CG1 3.97Å; V82-V92 HydrophobicContact CG2-CG1 4.03Å; K85-V92 HydrophobicContact CB-CG2 3.73Å; K85-V92 HydrophobicContact CD-CG2 4.34Å; I86-V92 HydrophobicContact CG1-CG2 3.93Å; V92-L94 HydrophobicContact CG1-CD2 3.78Å; V92-L94 HydrophobicContact CG1-CG 3.96Å; V92-V111 HydrophobicContact CB-CB 4.37Å; V92-V111 PolarHBondContact N-O 3.33Å; V92-V111 PolarHBondContact O-N 3.07Å |
| 93 | V | 96.8 | Very high | 92.1 | Very high | 78 Ų | 78 | 58.8 Ų | 58.8 | 47% | 0.473 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.3 | 170.8 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | V108 E110 | V93-V108 HydrophobicContact CG1-CB 3.65Å; V93-V108 HydrophobicContact CG1-CG1 3.78Å; V93-V108 HydrophobicContact CG1-CG2 4.13Å; V93-E110 HydrophobicContact CG2-CG 4.3Å |
| 94 | L | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135 | -179.4 | -63.9 | 176.3 | 0 | 0 | 0 | 110.1 | L44 F49 Y78 V82 V92 V108 Q109 | L44-L94 HydrophobicContact CD1-CD1 4.12Å; L44-L94 HydrophobicContact CD2-CD1 3.59Å; L44-L94 HydrophobicContact CG-CD1 4.37Å; F49-L94 HydrophobicContact CE1-CD2 4.24Å; F49-L94 HydrophobicContact CE2-CD1 4.5Å; F49-L94 HydrophobicContact CZ-CD1 3.91Å; F49-L94 HydrophobicContact CZ-CD2 4.17Å; Y78-L94 HydrophobicContact CE1-CD2 4.18Å; Y78-L94 WeakPolarHBondContact OH-CD2 3.41Å; V82-L94 HydrophobicContact CG1-CD1 4.38Å; V82-L94 HydrophobicContact CG1-CD2 4.19Å; V82-L94 HydrophobicContact CG2-CD2 3.84Å; V92-L94 HydrophobicContact CG1-CD2 3.78Å; V92-L94 HydrophobicContact CG1-CG 3.96Å; L94-V108 CarbonylContact O-C 3.59Å; L94-V108 VanDerWaalsContact O-CA 3.25Å; L94-V108 WeakPolarHBondContact O-CA 3.41Å; L94-Q109 PolarHBondContact N-O 3.08Å; L94-Q109 PolarHBondContact O-N 3.34Å |
| 95 | H | 92.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 58 Ų | 58 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.4 | 167.5 | -69.9 | -83.6 | 0 | 0 | 0 | 109.9 | T105 | H95-T105 PolarHBondContact ND1-O 2.83Å; H95-T105 VanDerWaalsContact ND1-O 3.12Å |
| 96 | K | 90.7 | Very high | 90.7 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 154.6 | 168.7 | -63.9 | 179.7 | -171 | 165.4 | 0 | 109 | S104 T105 D107 | K96-S104 CarbonylContact O-C 3.59Å; K96-S104 WeakPolarHBondContact O-CA 3.32Å; K96-T105 PolarHBondContact O-N 2.97Å; K96-T105 PolarHBondContact O-OG1 3.36Å; K96-D107 HydrophobicContact CD-CB 3.91Å; K96-D107 HydrophobicContact CG-CB 4.43Å; K96-D107 PolarHBondContact N-O 2.92Å |
| 97 | Y | 89.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 65 Ų | 65 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.8 | 178.9 | -171.1 | -94.9 | 0 | 0 | 0 | 111.1 | S47 Y50 Y102 | S47-Y97 WeakPolarHBondContact O-CB 3.15Å; Y50-Y97 AromaticContact CD2-CD1 3.59Å; Y50-Y97 HydrophobicContact CD2-CD1 3.59Å; Y50-Y97 HydrophobicContact CD2-CD2 4.3Å; Y50-Y97 AromaticContact CD2-CE1 3.4Å; Y50-Y97 HydrophobicContact CD2-CE1 3.4Å; Y50-Y97 VanDerWaalsContact CD2-CE1 3.4Å; Y50-Y97 HydrophobicContact CD2-CE2 4.16Å; Y50-Y97 HydrophobicContact CD2-CG 4.02Å; Y50-Y97 AromaticContact CD2-CZ 3.71Å; Y50-Y97 HydrophobicContact CE2-CD1 4.18Å; Y50-Y97 AromaticContact CE2-CE1 3.98Å; Y50-Y97 HydrophobicContact CE2-CE1 3.98Å; Y50-Y97 HydrophobicContact CG-CE1 4.19Å; Y50-Y97 HydrophobicContact CG-CE2 4.31Å; Y97-Y102 VanDerWaalsContact OH-CA 3.24Å; Y97-Y102 WeakPolarHBondContact OH-CA 3.18Å; Y97-Y102 PolarHBondContact OH-O 2.79Å |
| 98 | D | 86.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.1 | 171.1 | -176.6 | -5.1 | 0 | 0 | 0 | 109.7 | S100 A101 Y102 S103 T105 | D98-S100 VanDerWaalsContact CG-OG 3.26Å; D98-S100 PolarHBondContact O-N 3.05Å; D98-S100 WeakPolarHBondContact OD1-CA 3.19Å; D98-S100 WeakPolarHBondContact OD1-CB 3.47Å; D98-S100 PolarHBondContact OD1-N 3.43Å; D98-S100 PolarHBondContact OD1-OG 3.29Å; D98-S100 PolarHBondContact OD2-OG 3.21Å; D98-A101 HydrophobicContact CB-CB 4.03Å; D98-A101 PolarHBondContact O-N 3.27Å; D98-A101 PolarHBondContact OD1-N 3.16Å; D98-A101 WeakPolarHBondContact OD2-CB 3.5Å; D98-Y102 PolarHBondContact O-N 3.27Å; D98-S103 PolarHBondContact N-O 3.05Å; D98-S103 PolarHBondContact O-N 3.45Å; D98-T105 HydrophobicContact CB-CG2 3.5Å; D98-T105 VanDerWaalsContact CB-CG2 3.5Å |
| 99 | C | 81.1 | Confident | 90.3 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.3 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | Y102 | C99-Y102 WeakPolarHBondContact O-CE1 3.23Š|
| 100 | S | 80.8 | Confident | 90.4 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -34.9 | 176.9 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | D98 | D98-S100 VanDerWaalsContact CG-OG 3.26Å; D98-S100 PolarHBondContact O-N 3.05Å; D98-S100 WeakPolarHBondContact OD1-CA 3.19Å; D98-S100 WeakPolarHBondContact OD1-CB 3.47Å; D98-S100 PolarHBondContact OD1-N 3.43Å; D98-S100 PolarHBondContact OD1-OG 3.29Å; D98-S100 PolarHBondContact OD2-OG 3.21Å |
| 101 | A | 83.1 | Confident | 90.5 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D98 S103 | D98-A101 HydrophobicContact CB-CB 4.03Å; D98-A101 PolarHBondContact O-N 3.27Å; D98-A101 PolarHBondContact OD1-N 3.16Å; D98-A101 WeakPolarHBondContact OD2-CB 3.5Å; A101-S103 WeakPolarHBondContact CB-OG 3.47Å; A101-S103 PolarHBondContact O-N 2.9Å; A101-S103 VanDerWaalsContact O-N 3.08Å; A101-S103 PolarHBondContact O-OG 2.96Å |
| 102 | Y | 84.6 | Confident | 90.4 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 32.2 | -176 | -53 | -63.2 | 0 | 0 | 0 | 113.9 | L58 A61 L62 F68 Y97 D98 C99 | L58-Y102 HydrophobicContact CD1-CD2 4.2Å; A61-Y102 HydrophobicContact CB-CD1 4.28Å; A61-Y102 HydrophobicContact CB-CD2 4.02Å; A61-Y102 HydrophobicContact CB-CE1 4.3Å; A61-Y102 HydrophobicContact CB-CE2 4.03Å; A61-Y102 HydrophobicContact CB-CG 4.13Å; A61-Y102 PolarHBondContact O-OH 2.79Å; L62-Y102 HydrophobicContact CD2-CD2 4.33Å; L62-Y102 HydrophobicContact CD2-CE2 4.11Å; L62-Y102 HydrophobicContact CG-CE2 4.49Å; F68-Y102 AromaticContact CE1-CD1 3.91Å; F68-Y102 HydrophobicContact CE1-CD1 3.91Å; F68-Y102 HydrophobicContact CE1-CE1 4.46Å; F68-Y102 AromaticContact CE2-CD1 3.81Å; F68-Y102 HydrophobicContact CE2-CD1 3.81Å; F68-Y102 AromaticContact CE2-CE1 3.54Å; F68-Y102 HydrophobicContact CE2-CE1 3.54Å; F68-Y102 AromaticContact CZ-CD1 3.21Å; F68-Y102 HydrophobicContact CZ-CD1 3.21Å; F68-Y102 AromaticContact CZ-CE1 3.48Å; F68-Y102 HydrophobicContact CZ-CE1 3.48Å; F68-Y102 VanDerWaalsContact CZ-CE1 3.48Å; F68-Y102 HydrophobicContact CZ-CG 4.06Å; Y97-Y102 VanDerWaalsContact OH-CA 3.24Å; Y97-Y102 WeakPolarHBondContact OH-CA 3.18Å; Y97-Y102 PolarHBondContact OH-O 2.79Å; D98-Y102 PolarHBondContact O-N 3.27Å; C99-Y102 WeakPolarHBondContact O-CE1 3.23Å |
| 103 | S | 87.9 | Confident | 90.3 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.7 | -171.2 | 50 | 0 | 0 | 0 | 0 | 112 | D98 A101 | D98-S103 PolarHBondContact N-O 3.05Å; D98-S103 PolarHBondContact O-N 3.45Å; A101-S103 WeakPolarHBondContact CB-OG 3.47Å; A101-S103 PolarHBondContact O-N 2.9Å; A101-S103 VanDerWaalsContact O-N 3.08Å; A101-S103 PolarHBondContact O-OG 2.96Å |
| 104 | S | 87.2 | Confident | 90.2 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 47% | 0.469 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.6 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 111 | K96 | K96-S104 CarbonylContact O-C 3.59Å; K96-S104 WeakPolarHBondContact O-CA 3.32Å |
| 105 | T | 88.1 | Confident | 90.1 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.172 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 161.3 | 176.4 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | H95 K96 D98 D107 | H95-T105 PolarHBondContact ND1-O 2.83Å; H95-T105 VanDerWaalsContact ND1-O 3.12Å; K96-T105 PolarHBondContact O-N 2.97Å; K96-T105 PolarHBondContact O-OG1 3.36Å; D98-T105 HydrophobicContact CB-CG2 3.5Å; D98-T105 VanDerWaalsContact CB-CG2 3.5Å; T105-D107 PolarHBondContact O-N 3.07Å; T105-D107 WeakPolarHBondContact OG1-CB 3.32Å; T105-D107 PolarHBondContact OG1-N 3.39Å; T105-D107 PolarHBondContact OG1-O 2.97Å |
| 106 | P | 87.8 | Confident | 90.2 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 79% | 0.792 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -19.8 | 168.8 | -21.4 | 33.8 | 0 | 0 | 0 | 113.2 | V108 | P106-V108 PolarHBondContact O-N 3.27Å |
| 107 | D | 92 | Very high | 90.4 | Very high | 100 Ų | 100 | 55.7 Ų | 55.7 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.8 | 179.3 | -66 | -29.8 | 0 | 0 | 0 | 110.6 | K96 T105 | K96-D107 HydrophobicContact CD-CB 3.91Å; K96-D107 HydrophobicContact CG-CB 4.43Å; K96-D107 PolarHBondContact N-O 2.92Å; T105-D107 PolarHBondContact O-N 3.07Å; T105-D107 WeakPolarHBondContact OG1-CB 3.32Å; T105-D107 PolarHBondContact OG1-N 3.39Å; T105-D107 PolarHBondContact OG1-O 2.97Å |
| 108 | V | 93.7 | Very high | 90.7 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 155.4 | 178.3 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | V93 L94 P106 | V93-V108 HydrophobicContact CG1-CB 3.65Å; V93-V108 HydrophobicContact CG1-CG1 3.78Å; V93-V108 HydrophobicContact CG1-CG2 4.13Å; L94-V108 CarbonylContact O-C 3.59Å; L94-V108 VanDerWaalsContact O-CA 3.25Å; L94-V108 WeakPolarHBondContact O-CA 3.41Å; P106-V108 PolarHBondContact O-N 3.27Å |
| 109 | Q | 95.4 | Very high | 91.3 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.8 | 163.7 | 177.2 | 177.9 | 2.7 | 0 | 0 | 107.7 | E42 V43 L94 | E42-Q109 PolarHBondContact OE2-NE2 3.23Å; V43-Q109 PolarHBondContact O-NE2 2.87Å; V43-Q109 PolarHBondContact O-OE1 2.72Å; L94-Q109 PolarHBondContact N-O 3.08Å; L94-Q109 PolarHBondContact O-N 3.34Å |
| 110 | E | 96.5 | Very high | 92.1 | Very high | 137 Ų | 137 | 48.6 Ų | 48.6 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.3 | 176.3 | -60.9 | -177.7 | -178.2 | 0 | 0 | 109.7 | V93 | V93-E110 HydrophobicContact CG2-CG 4.3Å |
| 111 | V | 97.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.4 | 168.9 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | L44 I86 P91 V92 V115 V118 | L44-V111 HydrophobicContact CD2-CG2 3.8Å; I86-V111 HydrophobicContact CD1-CG1 4.11Å; I86-V111 HydrophobicContact CG1-CG1 4.07Å; P91-V111 CarbonylContact C-O 3.5Å; P91-V111 VanDerWaalsContact CA-O 3.28Å; P91-V111 WeakPolarHBondContact CA-O 3.31Å; V92-V111 HydrophobicContact CB-CB 4.37Å; V92-V111 PolarHBondContact N-O 3.33Å; V92-V111 PolarHBondContact O-N 3.07Å; V111-V115 HydrophobicContact CG1-CB 4.17Å; V111-V115 HydrophobicContact CG1-CG1 3.83Å; V111-V115 HydrophobicContact CG1-CG2 4.37Å; V111-V118 HydrophobicContact CG1-CG2 4.37Å |
| 112 | P | 95.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | trans | -72.6 | 161.4 | -177.5 | 31.6 | -35.5 | 0 | 0 | 0 | 111.7 | K40 D114 V115 | K40-P112 HydrophobicContact CD-CG 3.96Å; P112-D114 WeakPolarHBondContact CB-OD1 3.37Å; P112-D114 PolarHBondContact O-N 3.23Å; P112-V115 HydrophobicContact CG-CB 4.26Å; P112-V115 WeakPolarHBondContact O-CG1 3.34Å; P112-V115 PolarHBondContact O-N 3.42Å | ||
| 113 | D | 94.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 42.9 Ų | 42.9 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.1 | 178.3 | 53.8 | -3.9 | 0 | 0 | 0 | 114 | G89 P91 | G89-D113 WeakPolarHBondContact O-CB 3.48Å; P91-D113 HydrophobicContact CB-CB 4.47Å |
| 114 | D | 93.7 | Very high | 94.7 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 27 | 178.7 | 70.3 | -16.1 | 0 | 0 | 0 | 113.4 | K40 P112 | K40-D114 VanDerWaalsContact CD-OD1 3.31Å; K40-D114 WeakPolarHBondContact CD-OD1 3.34Å; K40-D114 WeakPolarHBondContact CE-OD1 3.22Å; K40-D114 WeakPolarHBondContact CE-OD2 3.4Å; K40-D114 IonicContact NZ-OD1 3.42Å; K40-D114 PolarHBondContact NZ-OD1 2.94Å; K40-D114 IonicContact NZ-OD2 2.65Å; K40-D114 PolarHBondContact NZ-OD2 3.45Å; P112-D114 WeakPolarHBondContact CB-OD1 3.37Å; P112-D114 PolarHBondContact O-N 3.23Å |
| 115 | V | 94.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | trans | -65.3 | 132.3 | 174.8 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | P8 K40 E42 I86 V111 P112 V117 V118 | P8-V115 HydrophobicContact CB-CG1 4.15Å; P8-V115 WeakPolarHBondContact CB-O 3.27Å; P8-V115 HydrophobicContact CG-CG1 3.94Å; P8-V115 VanDerWaalsContact CG-O 3.28Å; P8-V115 WeakPolarHBondContact CG-O 3.44Å; K40-V115 HydrophobicContact CB-CG2 4.49Å; E42-V115 HydrophobicContact CB-CG2 4.25Å; E42-V115 HydrophobicContact CG-CG2 4.29Å; I86-V115 HydrophobicContact CG2-CG1 4.07Å; V111-V115 HydrophobicContact CG1-CB 4.17Å; V111-V115 HydrophobicContact CG1-CG1 3.83Å; V111-V115 HydrophobicContact CG1-CG2 4.37Å; P112-V115 HydrophobicContact CG-CB 4.26Å; P112-V115 WeakPolarHBondContact O-CG1 3.34Å; P112-V115 PolarHBondContact O-N 3.42Å; V115-V117 WeakPolarHBondContact CG2-O 3.32Å; V115-V118 HydrophobicContact CB-CG2 4.33Å; V115-V118 HydrophobicContact CG1-CG2 3.73Å; V115-V118 HydrophobicContact CG2-CG2 3.61Å | ||
| 116 | D | 93.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -91.8 | -37.2 | -178.6 | -62.9 | -87.6 | 0 | 0 | 0 | 112.6 | P8 F9 K39 K40 | P8-D116 WeakPolarHBondContact CA-O 3.36Å; F9-D116 PolarHBondContact N-O 2.95Å; K39-D116 WeakPolarHBondContact CA-OD2 3.35Å; K39-D116 HydrophobicContact CB-CB 4.07Å; K39-D116 WeakPolarHBondContact CB-OD2 3.45Å; K39-D116 HydrophobicContact CD-CB 3.83Å; K39-D116 WeakPolarHBondContact CD-OD1 3.36Å; K39-D116 VanDerWaalsContact CD-OD2 3.24Å; K39-D116 WeakPolarHBondContact CD-OD2 3.44Å; K39-D116 WeakPolarHBondContact CE-OD1 3.35Å; K39-D116 IonicContact NZ-OD1 3.57Å; K39-D116 PolarHBondContact NZ-OD1 3.04Å; K40-D116 PolarHBondContact N-OD2 2.93Å; K40-D116 PolarHBondContact O-N 3.28Å |
| 117 | V | 94.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.1 | -179 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | F9 I11 L32 K40 V41 E42 V115 I119 V215 | F9-V117 HydrophobicContact CB-CG2 4.45Å; F9-V117 WeakPolarHBondContact O-CA 3.42Å; I11-V117 HydrophobicContact CD1-CG1 3.72Å; I11-V117 HydrophobicContact CG1-CG1 4.26Å; L32-V117 HydrophobicContact CD1-CG1 4.42Å; K40-V117 PolarHBondContact O-N 3.34Å; V41-V117 WeakPolarHBondContact CA-O 3.29Å; V41-V117 HydrophobicContact CB-CB 4.48Å; V41-V117 HydrophobicContact CG1-CB 4.15Å; V41-V117 HydrophobicContact CG1-CG1 4.26Å; V41-V117 HydrophobicContact CG2-CB 4.12Å; V41-V117 HydrophobicContact CG2-CG2 4.42Å; E42-V117 PolarHBondContact N-O 2.89Å; V115-V117 WeakPolarHBondContact CG2-O 3.32Å; V117-I119 HydrophobicContact CG1-CG1 4.32Å; V117-V215 HydrophobicContact CG2-CG2 3.48Å; V117-V215 VanDerWaalsContact CG2-CG2 3.48Å |
| 118 | V | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.8 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | F9 L10 I11 E42 L44 I86 V111 V115 V120 | F9-V118 PolarHBondContact O-N 3.32Å; L10-V118 WeakPolarHBondContact CA-O 3.49Å; L10-V118 HydrophobicContact CD2-CB 3.68Å; L10-V118 HydrophobicContact CD2-CG1 4.37Å; L10-V118 HydrophobicContact CD2-CG2 4.33Å; I11-V118 PolarHBondContact N-O 3Å; E42-V118 CarbonylContact O-C 3.57Å; E42-V118 WeakPolarHBondContact O-CA 3.34Å; L44-V118 HydrophobicContact CD1-CG1 3.8Å; L44-V118 HydrophobicContact CG-CG1 3.86Å; I86-V118 HydrophobicContact CD1-CG1 4.37Å; I86-V118 HydrophobicContact CG2-CG2 3.82Å; V111-V118 HydrophobicContact CG1-CG2 4.37Å; V115-V118 HydrophobicContact CB-CG2 4.33Å; V115-V118 HydrophobicContact CG1-CG2 3.73Å; V115-V118 HydrophobicContact CG2-CG2 3.61Å; V118-V120 HydrophobicContact CG1-CG2 4.44Å |
| 119 | I | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.4 | 176.2 | -55.5 | 176.2 | 0 | 0 | 0 | 108.1 | I11 I13 I28 V41 E42 V43 L44 V117 | I11-I119 HydrophobicContact CB-CG1 4.2Å; I11-I119 HydrophobicContact CD1-CG1 4.13Å; I11-I119 CarbonylContact O-C 3.58Å; I11-I119 VanDerWaalsContact O-CA 3.32Å; I11-I119 WeakPolarHBondContact O-CA 3.4Å; I13-I119 HydrophobicContact CD1-CG2 3.65Å; I13-I119 HydrophobicContact CG1-CG2 3.93Å; I28-I119 HydrophobicContact CB-CD1 4.4Å; I28-I119 HydrophobicContact CG2-CD1 3.77Å; V41-I119 HydrophobicContact CG1-CD1 4.36Å; E42-I119 PolarHBondContact O-N 2.93Å; V43-I119 CarbonylContact C-O 3.6Å; V43-I119 VanDerWaalsContact CA-O 3.28Å; V43-I119 WeakPolarHBondContact CA-O 3.26Å; V43-I119 HydrophobicContact CG2-CB 4.06Å; V43-I119 HydrophobicContact CG2-CD1 4.17Å; L44-I119 PolarHBondContact N-O 3.15Å; V117-I119 HydrophobicContact CG1-CG1 4.32Å |
| 120 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.2 | 171.4 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | I11 G12 I13 L44 L79 L83 V118 T125 F135 | I11-V120 PolarHBondContact O-N 3Å; G12-V120 CarbonylContact C-O 3.58Å; I13-V120 PolarHBondContact N-O 3.11Å; L44-V120 HydrophobicContact CB-CG2 4.34Å; L44-V120 HydrophobicContact CD1-CG2 4.44Å; L44-V120 CarbonylContact O-C 3.55Å; L44-V120 WeakPolarHBondContact O-CA 3.46Å; L79-V120 HydrophobicContact CD1-CG1 4.4Å; L83-V120 HydrophobicContact CD2-CG2 3.66Å; V118-V120 HydrophobicContact CG1-CG2 4.44Å; V120-T125 HydrophobicContact CB-CG2 4.18Å; V120-T125 HydrophobicContact CG1-CG2 3.98Å; V120-F135 HydrophobicContact CB-CE1 3.7Å; V120-F135 HydrophobicContact CB-CZ 3.91Å; V120-F135 HydrophobicContact CG1-CZ 4.29Å; V120-F135 HydrophobicContact CG2-CE1 3.66Å; V120-F135 HydrophobicContact CG2-CZ 4.19Å |
| 121 | E | 97.8 | Very high | 97 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.2 | -177 | 74.7 | 78.6 | -156.4 | 0 | 0 | 112.3 | I13 C25 V43 L44 S45 L46 | I13-E121 HydrophobicContact CB-CB 4.28Å; I13-E121 WeakPolarHBondContact O-CA 3.39Å; C25-E121 WeakPolarHBondContact SG-CB 3.14Å; V43-E121 HydrophobicContact CG1-CG 4.15Å; L44-E121 PolarHBondContact O-N 3.1Å; S45-E121 WeakPolarHBondContact CB-OE1 3.37Å; S45-E121 PolarHBondContact OG-OE1 3.41Å; L46-E121 WeakPolarHBondContact CB-O 3.4Å; L46-E121 PolarHBondContact N-O 3.11Å |
| 122 | G | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 168.2 | 166.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | I13 S14 K21 L124 T125 | I13-G122 PolarHBondContact O-N 3.08Å; I13-G122 VanDerWaalsContact O-N 3.1Å; S14-G122 WeakPolarHBondContact CA-O 3.15Å; S14-G122 PolarHBondContact OG-O 2.91Å; K21-G122 WeakPolarHBondContact CD-O 3.43Å; G122-L124 VanDerWaalsContact C-N 3.31Å; G122-L124 PolarHBondContact O-N 2.88Å; G122-T125 WeakPolarHBondContact CA-OG1 3.34Å; G122-T125 PolarHBondContact N-OG1 2.91Å; G122-T125 VanDerWaalsContact N-OG1 3.1Å; G122-T125 PolarHBondContact O-OG1 3.21Å; G122-T125 VanDerWaalsContact O-OG1 3.11Å |
| 123 | I | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -29.1 | -178.7 | 52 | 155.9 | 0 | 0 | 0 | 113 | S14 G15 D69 F74 C183 | S14-I123 PolarHBondContact OG-O 3.01Å; G15-I123 WeakPolarHBondContact O-CA 3.28Å; D69-I123 HydrophobicContact CB-CD1 3.83Å; D69-I123 VanDerWaalsContact OD1-CD1 3.23Å; D69-I123 WeakPolarHBondContact OD1-CD1 3.44Å; F74-I123 HydrophobicContact CE2-CD1 4.45Å; F74-I123 HydrophobicContact CZ-CD1 4.26Å; F74-I123 HydrophobicContact CZ-CG1 4.27Å; I123-C183 PolarHBondContact O-SG 2.78Å |
| 124 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 22.8 | -173.8 | -64.1 | -175 | 0 | 0 | 0 | 113.3 | L46 D69 P71 F74 F76 G122 F126 Y127 F182 C183 | L46-L124 HydrophobicContact CD2-CB 3.99Å; D69-L124 WeakPolarHBondContact O-CD1 3.4Å; P71-L124 HydrophobicContact CB-CD1 4.21Å; P71-L124 HydrophobicContact CG-CD1 3.87Å; F74-L124 HydrophobicContact CD2-CD1 4.06Å; F74-L124 HydrophobicContact CE2-CD1 3.81Å; F74-L124 HydrophobicContact CE2-CG 4.44Å; F76-L124 HydrophobicContact CZ-CB 3.99Å; G122-L124 VanDerWaalsContact C-N 3.31Å; G122-L124 PolarHBondContact O-N 2.88Å; L124-F126 PolarHBondContact O-N 2.74Å; L124-Y127 HydrophobicContact CD2-CD2 4.48Å; L124-Y127 VanDerWaalsContact O-CB 3.23Å; L124-Y127 WeakPolarHBondContact O-CB 3.33Å; L124-Y127 PolarHBondContact O-N 3.37Å; L124-F182 HydrophobicContact CD1-CB 4.48Å; L124-F182 HydrophobicContact CD2-CB 3.63Å; L124-C183 HydrophobicContact CD2-CB 4.06Å |
| 125 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -32.7 | 178.3 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | I13 V120 G122 F135 | I13-T125 PolarHBondContact O-OG1 3.2Å; I13-T125 VanDerWaalsContact O-OG1 3.11Å; V120-T125 HydrophobicContact CB-CG2 4.18Å; V120-T125 HydrophobicContact CG1-CG2 3.98Å; G122-T125 WeakPolarHBondContact CA-OG1 3.34Å; G122-T125 PolarHBondContact N-OG1 2.91Å; G122-T125 VanDerWaalsContact N-OG1 3.1Å; G122-T125 PolarHBondContact O-OG1 3.21Å; G122-T125 VanDerWaalsContact O-OG1 3.11Å; T125-F135 HydrophobicContact CG2-CE1 4.33Å; T125-F135 HydrophobicContact CG2-CE2 3.53Å; T125-F135 HydrophobicContact CG2-CZ 3.39Å; T125-F135 WeakPolarHBondContact O-CE2 3.3Å |
| 126 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.7 | -179.7 | -57.6 | -20.5 | 0 | 0 | 0 | 114.4 | G12 S14 L124 R132 F135 K138 I139 F140 T186 A190 | G12-F126 WeakPolarHBondContact O-CE1 3.44Å; G12-F126 VanDerWaalsContact O-CZ 3.25Å; G12-F126 WeakPolarHBondContact O-CZ 3.4Å; S14-F126 VanDerWaalsContact CB-CD2 3.45Å; S14-F126 VanDerWaalsContact CB-CE2 3.46Å; L124-F126 PolarHBondContact O-N 2.74Å; F126-R132 HydrophobicContact CB-CG 4.48Å; F126-R132 WeakPolarHBondContact O-CD 3.4Å; F126-R132 PolarHBondContact O-NH1 3.14Å; F126-F135 HydrophobicContact CD1-CD2 4.24Å; F126-F135 HydrophobicContact CD1-CE2 4.27Å; F126-F135 HydrophobicContact CE1-CD2 4.21Å; F126-F135 HydrophobicContact CE1-CE2 4.43Å; F126-K138 HydrophobicContact CD1-CG 4.29Å; F126-K138 HydrophobicContact CE1-CB 3.77Å; F126-K138 HydrophobicContact CE1-CG 3.76Å; F126-K138 HydrophobicContact CE2-CB 4.05Å; F126-K138 HydrophobicContact CZ-CB 3.5Å; F126-K138 VanDerWaalsContact CZ-CB 3.5Å; F126-K138 HydrophobicContact CZ-CG 4.05Å; F126-I139 WeakPolarHBondContact CZ-O 3.35Å; F126-F140 HydrophobicContact CD2-CD2 4.42Å; F126-F140 HydrophobicContact CE2-CB 4.35Å; F126-F140 HydrophobicContact CE2-CD2 4.4Å; F126-T186 HydrophobicContact CB-CG2 4.43Å; F126-A190 HydrophobicContact CE2-CB 4.26Å |
| 127 | Y | 98.5 | Very high | 97.9 | Very high | 83 Ų | 83 | 31.5 Ų | 31.5 | 33% | 0.325 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -60.6 | -174.6 | -178.5 | -99.5 | 0 | 0 | 0 | 111.2 | P71 F76 L124 K129 R132 F182 T186 | P71-Y127 HydrophobicContact CB-CD1 3.83Å; P71-Y127 HydrophobicContact CB-CE1 3.36Å; P71-Y127 HydrophobicContact CB-CE2 4.37Å; P71-Y127 HydrophobicContact CG-CD1 4.06Å; P71-Y127 HydrophobicContact CG-CD2 4.13Å; P71-Y127 HydrophobicContact CG-CE1 3.58Å; P71-Y127 HydrophobicContact CG-CE2 3.62Å; P71-Y127 HydrophobicContact CG-CG 4.33Å; F76-Y127 HydrophobicContact CE2-CD1 4.12Å; F76-Y127 HydrophobicContact CZ-CD1 4.21Å; L124-Y127 HydrophobicContact CD2-CD2 4.48Å; L124-Y127 VanDerWaalsContact O-CB 3.23Å; L124-Y127 WeakPolarHBondContact O-CB 3.33Å; L124-Y127 PolarHBondContact O-N 3.37Å; Y127-K129 PolarHBondContact O-N 3.45Å; Y127-R132 PolarHBondContact O-NH1 3.02Å; Y127-F182 HydrophobicContact CD2-CB 4.13Å; Y127-F182 HydrophobicContact CE2-CB 4.07Å; Y127-F182 AromaticContact CE2-CD1 3.85Å; Y127-F182 HydrophobicContact CE2-CD1 3.85Å; Y127-F182 HydrophobicContact CE2-CG 4.35Å; Y127-T186 HydrophobicContact CD2-CG2 4.5Å |
| 128 | Q | 98.2 | Very high | 98.1 | Very high | 83 Ų | 83 | 32.9 Ų | 32.9 | 39% | 0.388 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -73.5 | 128.5 | 179.5 | -74.2 | -69.2 | 24.6 | 0 | 0 | 111.9 | F76 E130 V131 R132 | F76-Q128 HydrophobicContact CB-CB 4.49Å; F76-Q128 HydrophobicContact CB-CG 3.63Å; F76-Q128 HydrophobicContact CD1-CB 4.14Å; F76-Q128 HydrophobicContact CD1-CG 3.65Å; F76-Q128 HydrophobicContact CD2-CG 3.63Å; F76-Q128 HydrophobicContact CE1-CG 4.17Å; F76-Q128 HydrophobicContact CE2-CG 4.12Å; F76-Q128 HydrophobicContact CG-CB 4.29Å; F76-Q128 HydrophobicContact CG-CG 3.36Å; F76-Q128 HydrophobicContact CZ-CG 4.38Å; Q128-E130 PolarHBondContact O-N 2.85Å; Q128-V131 HydrophobicContact CB-CB 4.3Å; Q128-V131 HydrophobicContact CB-CG2 4.3Å; Q128-V131 PolarHBondContact O-N 3.07Å; Q128-R132 WeakPolarHBondContact O-CB 3.28Å; Q128-R132 PolarHBondContact O-N 3.43Å |
| 129 | K | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 32.9 Ų | 32.9 | 54% | 0.535 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | -179.2 | 177.2 | 168.5 | 165.7 | 47.5 | 0 | 112.3 | Y127 R132 D133 | Y127-K129 PolarHBondContact O-N 3.45Å; K129-R132 PolarHBondContact O-N 3.09Å; K129-D133 WeakPolarHBondContact CG-OD2 3.49Å; K129-D133 IonicContact NZ-OD1 2.61Å; K129-D133 PolarHBondContact NZ-OD1 3.41Å; K129-D133 IonicContact NZ-OD2 3.93Å; K129-D133 PolarHBondContact NZ-OD2 3.03Å; K129-D133 WeakPolarHBondContact O-CB 3.49Å; K129-D133 PolarHBondContact O-N 3.32Å |
| 130 | E | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 33.1 Ų | 33.1 | 48% | 0.481 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.8 | -52.4 | -179.1 | -174.6 | -177.4 | 175.7 | 0 | 0 | 111.4 | R84 Q128 R132 D133 M134 | R84-E130 IonicContact NH2-OE1 2.7Å; R84-E130 PolarHBondContact NH2-OE1 2.94Å; Q128-E130 PolarHBondContact O-N 2.85Å; E130-R132 PolarHBondContact O-N 2.89Å; E130-D133 PolarHBondContact O-N 3.34Å; E130-M134 HydrophobicContact CG-CE 4Å; E130-M134 WeakPolarHBondContact O-CG 3.17Å; E130-M134 PolarHBondContact O-N 3.44Å |
| 131 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | F76 L79 A80 L83 Q128 D133 M134 F135 | F76-V131 HydrophobicContact CD1-CG2 4.47Å; L79-V131 HydrophobicContact CD2-CG1 3.77Å; L79-V131 HydrophobicContact CD2-CG2 4.11Å; L79-V131 HydrophobicContact CG-CG1 4.24Å; L79-V131 HydrophobicContact CG-CG2 4.17Å; A80-V131 HydrophobicContact CB-CG2 4.08Å; L83-V131 HydrophobicContact CD1-CG1 3.88Å; Q128-V131 HydrophobicContact CB-CB 4.3Å; Q128-V131 HydrophobicContact CB-CG2 4.3Å; Q128-V131 PolarHBondContact O-N 3.07Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 3.22Å; V131-M134 WeakPolarHBondContact O-CB 3.37Å; V131-M134 PolarHBondContact O-N 3.46Å; V131-F135 HydrophobicContact CG1-CE2 3.82Å; V131-F135 HydrophobicContact CG1-CZ 3.84Å |
| 132 | R | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | -179.1 | 179.2 | 177 | 62.6 | -132.9 | 4.9 | 112.4 | F126 Y127 Q128 K129 E130 M134 F135 K138 Y189 | F126-R132 HydrophobicContact CB-CG 4.48Å; F126-R132 WeakPolarHBondContact O-CD 3.4Å; F126-R132 PolarHBondContact O-NH1 3.14Å; Y127-R132 PolarHBondContact O-NH1 3.02Å; Q128-R132 WeakPolarHBondContact O-CB 3.28Å; Q128-R132 PolarHBondContact O-N 3.43Å; K129-R132 PolarHBondContact O-N 3.09Å; E130-R132 PolarHBondContact O-N 2.89Å; R132-M134 PolarHBondContact O-N 2.75Å; R132-F135 PolarHBondContact O-N 2.95Å; R132-K138 HydrophobicContact CG-CD 4.18Å; R132-K138 WeakPolarHBondContact O-CE 3.46Å; R132-Y189 VanDerWaalsContact CD-CG 3.46Å; R132-Y189 VanDerWaalsContact CZ-CE2 3.48Å; R132-Y189 VanDerWaalsContact CZ-CZ 3.46Å; R132-Y189 VanDerWaalsContact NH1-CD2 3.35Å |
| 133 | D | 98.4 | Very high | 98.1 | Very high | 93 Ų | 93 | 36 Ų | 36 | 50% | 0.497 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.6 | -12.2 | -180 | -65.7 | -10.9 | 0 | 0 | 0 | 112.1 | K129 E130 V131 | K129-D133 WeakPolarHBondContact CG-OD2 3.49Å; K129-D133 IonicContact NZ-OD1 2.61Å; K129-D133 PolarHBondContact NZ-OD1 3.41Å; K129-D133 IonicContact NZ-OD2 3.93Å; K129-D133 PolarHBondContact NZ-OD2 3.03Å; K129-D133 WeakPolarHBondContact O-CB 3.49Å; K129-D133 PolarHBondContact O-N 3.32Å; E130-D133 PolarHBondContact O-N 3.34Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 3.22Å |
| 134 | M | 98.2 | Very high | 97.9 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.9 | -23.5 | 174.9 | -62.3 | -162 | -167.5 | 0 | 0 | 113.9 | L10 A80 L83 K87 E130 V131 R132 | L10-M134 HydrophobicContact CD1-CB 4.37Å; A80-M134 HydrophobicContact CB-CE 4.18Å; L83-M134 HydrophobicContact CB-SD 3.64Å; L83-M134 HydrophobicContact CD1-SD 4.47Å; K87-M134 WeakPolarHBondContact CE-O 3.35Å; K87-M134 PolarHBondContact NZ-O 2.76Å; E130-M134 HydrophobicContact CG-CE 4Å; E130-M134 WeakPolarHBondContact O-CG 3.17Å; E130-M134 PolarHBondContact O-N 3.44Å; V131-M134 WeakPolarHBondContact O-CB 3.37Å; V131-M134 PolarHBondContact O-N 3.46Å; R132-M134 PolarHBondContact O-N 2.75Å |
| 135 | F | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -74.7 | 135.1 | -178.5 | -59.9 | -59.6 | 0 | 0 | 0 | 112.1 | L10 G12 L83 V120 T125 F126 V131 R132 K138 | L10-F135 HydrophobicContact CB-CD1 4.13Å; G12-F135 VanDerWaalsContact N-CD1 3.26Å; L83-F135 HydrophobicContact CD1-CE1 4.36Å; L83-F135 HydrophobicContact CD1-CZ 4.31Å; V120-F135 HydrophobicContact CB-CE1 3.7Å; V120-F135 HydrophobicContact CB-CZ 3.91Å; V120-F135 HydrophobicContact CG1-CZ 4.29Å; V120-F135 HydrophobicContact CG2-CE1 3.66Å; V120-F135 HydrophobicContact CG2-CZ 4.19Å; T125-F135 HydrophobicContact CG2-CE1 4.33Å; T125-F135 HydrophobicContact CG2-CE2 3.53Å; T125-F135 HydrophobicContact CG2-CZ 3.39Å; T125-F135 WeakPolarHBondContact O-CE2 3.3Å; F126-F135 HydrophobicContact CD1-CD2 4.24Å; F126-F135 HydrophobicContact CD1-CE2 4.27Å; F126-F135 HydrophobicContact CE1-CD2 4.21Å; F126-F135 HydrophobicContact CE1-CE2 4.43Å; V131-F135 HydrophobicContact CG1-CE2 3.82Å; V131-F135 HydrophobicContact CG1-CZ 3.84Å; R132-F135 PolarHBondContact O-N 2.95Å; F135-K138 HydrophobicContact CB-CG 3.89Å; F135-K138 HydrophobicContact CD2-CG 4.39Å; F135-K138 PolarHBondContact O-NZ 2.89Å | ||
| 136 | D | 97 | Very high | 97.7 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -82.7 | -26.8 | 172.7 | -51.8 | -68.5 | 0 | 0 | 0 | 111.1 | K7 F9 L10 | K7-D136 IonicContact NZ-OD1 3.44Å; K7-D136 PolarHBondContact NZ-OD1 3.46Å; F9-D136 HydrophobicContact CD2-CB 3.87Å; F9-D136 HydrophobicContact CE1-CB 4.28Å; F9-D136 HydrophobicContact CE2-CB 3.54Å; F9-D136 HydrophobicContact CG-CB 4.37Å; F9-D136 HydrophobicContact CZ-CB 3.77Å; L10-D136 PolarHBondContact N-OD2 3.11Å; L10-D136 PolarHBondContact O-N 3.37Å |
| 137 | L | 97.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.4 | 171.5 | 177.8 | 64.8 | 0 | 0 | 0 | 111.5 | F9 L10 I11 G12 I139 D191 V192 L211 | F9-L137 HydrophobicContact CE1-CB 3.83Å; F9-L137 HydrophobicContact CZ-CB 4.04Å; L10-L137 PolarHBondContact O-N 3.39Å; I11-L137 CarbonylContact C-O 3.57Å; I11-L137 WeakPolarHBondContact CA-O 3.4Å; I11-L137 HydrophobicContact CG1-CB 4.45Å; I11-L137 HydrophobicContact CG2-CB 4.42Å; I11-L137 HydrophobicContact CG2-CD2 4.33Å; I11-L137 HydrophobicContact CG2-CG 4.44Å; G12-L137 PolarHBondContact N-O 2.83Å; L137-I139 HydrophobicContact CD2-CD1 3.95Å; L137-I139 HydrophobicContact CD2-CG1 4.15Å; L137-I139 HydrophobicContact CG-CD1 4.36Å; L137-I139 HydrophobicContact CG-CG1 4.06Å; L137-D191 HydrophobicContact CD1-CB 4.05Å; L137-V192 HydrophobicContact CD1-CG2 4.35Å; L137-L211 HydrophobicContact CD2-CD2 3.91Å |
| 138 | K | 98.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.4 | 179 | -65.3 | 157.4 | -154.3 | 64.8 | 0 | 110.4 | G12 F126 R132 F135 Y189 D191 V192 | G12-K138 WeakPolarHBondContact O-CA 3.35Å; F126-K138 HydrophobicContact CD1-CG 4.29Å; F126-K138 HydrophobicContact CE1-CB 3.77Å; F126-K138 HydrophobicContact CE1-CG 3.76Å; F126-K138 HydrophobicContact CE2-CB 4.05Å; F126-K138 HydrophobicContact CZ-CB 3.5Å; F126-K138 VanDerWaalsContact CZ-CB 3.5Å; F126-K138 HydrophobicContact CZ-CG 4.05Å; R132-K138 HydrophobicContact CG-CD 4.18Å; R132-K138 WeakPolarHBondContact O-CE 3.46Å; F135-K138 HydrophobicContact CB-CG 3.89Å; F135-K138 HydrophobicContact CD2-CG 4.39Å; F135-K138 PolarHBondContact O-NZ 2.89Å; K138-Y189 WeakPolarHBondContact CD-O 3.24Å; K138-D191 WeakPolarHBondContact CB-OD2 3.24Å; K138-D191 PolarHBondContact N-OD2 2.86Å; K138-D191 IonicContact NZ-OD2 3.38Å; K138-D191 PolarHBondContact O-N 3.12Å; K138-V192 PolarHBondContact O-N 3.17Å; K138-V192 VanDerWaalsContact O-N 3.09Å |
| 139 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.3 | 177.7 | -53.7 | 164.5 | 0 | 0 | 0 | 109.2 | I11 G12 I13 S14 I28 F126 L137 I141 V192 L194 I207 | I11-I139 HydrophobicContact CG2-CD1 3.98Å; G12-I139 PolarHBondContact O-N 2.89Å; I13-I139 CarbonylContact C-O 3.6Å; I13-I139 WeakPolarHBondContact CA-O 3.28Å; I13-I139 HydrophobicContact CD1-CD1 4.21Å; I13-I139 HydrophobicContact CG1-CB 4.24Å; I13-I139 HydrophobicContact CG1-CD1 4.32Å; S14-I139 PolarHBondContact N-O 3.35Å; I28-I139 HydrophobicContact CD1-CD1 4.46Å; F126-I139 WeakPolarHBondContact CZ-O 3.35Å; L137-I139 HydrophobicContact CD2-CD1 3.95Å; L137-I139 HydrophobicContact CD2-CG1 4.15Å; L137-I139 HydrophobicContact CG-CD1 4.36Å; L137-I139 HydrophobicContact CG-CG1 4.06Å; I139-I141 HydrophobicContact CG2-CD1 3.94Å; I139-V192 CarbonylContact C-O 3.56Å; I139-V192 WeakPolarHBondContact CA-O 3.49Å; I139-V192 HydrophobicContact CG1-CB 4.38Å; I139-L194 HydrophobicContact CG2-CB 4.07Å; I139-I207 HydrophobicContact CD1-CD1 4.23Å; I139-I207 HydrophobicContact CD1-CG2 3.81Å; I139-I207 HydrophobicContact CG2-CD1 4.38Å |
| 140 | F | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.3 | 170.6 | -167.2 | -82.7 | 0 | 0 | 0 | 110.3 | S14 F126 E142 F179 K187 A190 V192 I193 L194 | S14-F140 CarbonylContact O-C 3.49Å; S14-F140 WeakPolarHBondContact O-CA 3.3Å; F126-F140 HydrophobicContact CD2-CD2 4.42Å; F126-F140 HydrophobicContact CE2-CB 4.35Å; F126-F140 HydrophobicContact CE2-CD2 4.4Å; F140-E142 PolarHBondContact O-N 3.49Å; F140-F179 HydrophobicContact CZ-CE2 4.43Å; F140-K187 HydrophobicContact CB-CG 4.5Å; F140-K187 HydrophobicContact CD1-CB 4.35Å; F140-K187 HydrophobicContact CD1-CD 4.22Å; F140-K187 HydrophobicContact CD1-CG 3.87Å; F140-K187 HydrophobicContact CD2-CB 4.03Å; F140-K187 HydrophobicContact CD2-CG 4.3Å; F140-K187 HydrophobicContact CE1-CB 4.27Å; F140-K187 HydrophobicContact CE1-CD 4.15Å; F140-K187 HydrophobicContact CE1-CG 4.09Å; F140-K187 HydrophobicContact CE2-CB 3.94Å; F140-K187 HydrophobicContact CE2-CG 4.49Å; F140-K187 HydrophobicContact CG-CB 4.22Å; F140-K187 HydrophobicContact CG-CG 3.97Å; F140-K187 HydrophobicContact CZ-CB 4.05Å; F140-K187 HydrophobicContact CZ-CG 4.38Å; F140-A190 HydrophobicContact CB-CB 3.62Å; F140-V192 PolarHBondContact N-O 2.92Å; F140-I193 CarbonylContact O-C 3.54Å; F140-I193 WeakPolarHBondContact O-CA 3.46Å; F140-L194 PolarHBondContact O-N 3.24Å |
| 141 | I | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.4 | 177.7 | -54.6 | -55.2 | 0 | 0 | 0 | 109.6 | I13 S14 S19 K21 A24 I139 L194 A197 | I13-I141 HydrophobicContact CG2-CD1 4.15Å; I13-I141 HydrophobicContact CG2-CG1 3.72Å; S14-I141 PolarHBondContact O-N 3.1Å; S19-I141 VanDerWaalsContact O-CG2 3.26Å; S19-I141 WeakPolarHBondContact O-CG2 3.2Å; K21-I141 HydrophobicContact CB-CG1 4.41Å; K21-I141 HydrophobicContact CG-CB 3.98Å; K21-I141 HydrophobicContact CG-CG1 3.76Å; A24-I141 HydrophobicContact CB-CD1 4.02Å; I139-I141 HydrophobicContact CG2-CD1 3.94Å; I141-L194 HydrophobicContact CD1-CB 3.87Å; I141-L194 HydrophobicContact CD1-CD2 3.8Å; I141-L194 HydrophobicContact CD1-CG 4.26Å; I141-A197 HydrophobicContact CD1-CB 4.39Å; I141-A197 HydrophobicContact CG2-CB 3.54Å |
| 142 | E | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.3 | -179.1 | 179.8 | 149.6 | -126.7 | 0 | 0 | 112 | F140 K187 I193 L194 P195 R196 | F140-E142 PolarHBondContact O-N 3.49Å; E142-K187 IonicContact OE1-NZ 2.77Å; E142-K187 PolarHBondContact OE1-NZ 3.16Å; E142-K187 WeakPolarHBondContact OE2-CE 3.4Å; E142-K187 IonicContact OE2-NZ 3.75Å; E142-K187 PolarHBondContact OE2-NZ 2.97Å; E142-I193 HydrophobicContact CB-CG2 3.78Å; E142-I193 VanDerWaalsContact OE2-CG2 3.25Å; E142-I193 WeakPolarHBondContact OE2-CG2 3.32Å; E142-L194 PolarHBondContact N-O 3.02Å; E142-P195 WeakPolarHBondContact O-CA 3.43Å; E142-R196 PolarHBondContact O-N 3.44Å; E142-R196 VanDerWaalsContact O-N 3.07Å |
| 143 | S | 95.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -154.6 | 142.4 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | T147 R148 | S143-T147 WeakPolarHBondContact OG-CG2 3.45Å; S143-R148 PolarHBondContact O-NE 3.2Å | ||
| 144 | D | 94.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 42 Ų | 42 | 58% | 0.578 | 23% | 0.228 | S | C | * | . | trans | -57.7 | 148.7 | 179.9 | -56 | -40.7 | 0 | 0 | 0 | 111.9 | D146 T147 R148 | D144-D146 VanDerWaalsContact C-N 3.34Å; D144-D146 WeakPolarHBondContact CB-OD1 3.34Å; D144-D146 PolarHBondContact O-N 3.3Å; D144-T147 PolarHBondContact O-N 3.44Å; D144-R148 WeakPolarHBondContact O-CG 2.88Å; D144-R148 PolarHBondContact O-N 2.95Å | ||
| 145 | A | 95.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R148 L149 | A145-R148 PolarHBondContact O-N 3.16Å; A145-L149 WeakPolarHBondContact O-CB 3.38Å; A145-L149 PolarHBondContact O-N 2.95Å |
| 146 | D | 95.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 44.6 Ų | 44.6 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66 | -43.3 | 175.3 | 59.2 | -14.3 | 0 | 0 | 0 | 112 | D144 R148 L149 C150 | D144-D146 VanDerWaalsContact C-N 3.34Å; D144-D146 WeakPolarHBondContact CB-OD1 3.34Å; D144-D146 PolarHBondContact O-N 3.3Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.36Å; D146-L149 PolarHBondContact O-N 3.42Å; D146-C150 VanDerWaalsContact O-CB 3.3Å; D146-C150 WeakPolarHBondContact O-CB 3.09Å; D146-C150 PolarHBondContact O-N 2.98Å |
| 147 | T | 95.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | S143 D144 C150 R151 | S143-T147 WeakPolarHBondContact OG-CG2 3.45Å; D144-T147 PolarHBondContact O-N 3.44Å; T147-C150 PolarHBondContact O-N 3.31Å; T147-R151 WeakPolarHBondContact O-CB 3.43Å; T147-R151 VanDerWaalsContact O-CG 3.31Å; T147-R151 WeakPolarHBondContact O-CG 3.37Å; T147-R151 PolarHBondContact O-N 3.48Å |
| 148 | R | 96.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 6% | 0.06 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.6 | -73.6 | -174.6 | -69.4 | 108 | -9.1 | 112 | A17 A18 S143 D144 A145 D146 R151 K152 | A17-R148 WeakPolarHBondContact O-CB 3.47Å; A17-R148 WeakPolarHBondContact O-CD 3.5Å; A18-R148 WeakPolarHBondContact CB-O 3.47Å; S143-R148 PolarHBondContact O-NE 3.2Å; D144-R148 WeakPolarHBondContact O-CG 2.88Å; D144-R148 PolarHBondContact O-N 2.95Å; A145-R148 PolarHBondContact O-N 3.16Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.36Å; R148-R151 PolarHBondContact O-N 3.3Å; R148-K152 WeakPolarHBondContact O-CB 3.26Å; R148-K152 PolarHBondContact O-N 2.69Å |
| 149 | L | 97.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 54 Ų | 54 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 178.1 | 177.6 | 57.9 | 0 | 0 | 0 | 111.1 | A145 D146 R151 K152 V153 L168 Y171 | A145-L149 WeakPolarHBondContact O-CB 3.38Å; A145-L149 PolarHBondContact O-N 2.95Å; D146-L149 PolarHBondContact O-N 3.42Å; L149-R151 PolarHBondContact O-N 2.84Å; L149-K152 WeakPolarHBondContact O-CB 3.41Å; L149-K152 PolarHBondContact O-N 2.8Å; L149-K152 VanDerWaalsContact O-N 3.16Å; L149-V153 HydrophobicContact CD1-CG2 4.02Å; L149-V153 HydrophobicContact CG-CG2 4.45Å; L149-V153 WeakPolarHBondContact O-CG2 3.39Å; L149-V153 PolarHBondContact O-N 3.1Å; L149-L168 HydrophobicContact CD1-CD2 4.21Å; L149-Y171 HydrophobicContact CB-CE2 4.37Å; L149-Y171 HydrophobicContact CD1-CD1 3.77Å; L149-Y171 HydrophobicContact CD1-CD2 3.76Å; L149-Y171 HydrophobicContact CD1-CE1 4Å; L149-Y171 HydrophobicContact CD1-CE2 4Å; L149-Y171 HydrophobicContact CD1-CG 3.63Å; L149-Y171 HydrophobicContact CD2-CD1 4.28Å; L149-Y171 HydrophobicContact CD2-CE1 3.95Å; L149-Y171 HydrophobicContact CG-CE1 4.43Å |
| 150 | C | 96.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 49% | 0.486 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | D146 T147 K152 V153 L154 | D146-C150 VanDerWaalsContact O-CB 3.3Å; D146-C150 WeakPolarHBondContact O-CB 3.09Å; D146-C150 PolarHBondContact O-N 2.98Å; T147-C150 PolarHBondContact O-N 3.31Å; C150-K152 VanDerWaalsContact C-N 3.32Å; C150-K152 PolarHBondContact O-N 2.76Å; C150-V153 PolarHBondContact O-N 3.02Å; C150-L154 WeakPolarHBondContact O-CG 3.47Å; C150-L154 PolarHBondContact O-N 3.49Å |
| 151 | R | 95.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 175.3 | -72.7 | 172.2 | 177.4 | -178.8 | -3.6 | 112 | A18 S19 T147 R148 L149 R155 A197 D199 | A18-R151 HydrophobicContact CB-CB 4Å; A18-R151 WeakPolarHBondContact O-CD 3.34Å; S19-R151 PolarHBondContact O-NH1 3.37Å; T147-R151 WeakPolarHBondContact O-CB 3.43Å; T147-R151 VanDerWaalsContact O-CG 3.31Å; T147-R151 WeakPolarHBondContact O-CG 3.37Å; T147-R151 PolarHBondContact O-N 3.48Å; R148-R151 PolarHBondContact O-N 3.3Å; L149-R151 PolarHBondContact O-N 2.84Å; R151-R155 VanDerWaalsContact O-CB 3.26Å; R151-R155 WeakPolarHBondContact O-CB 3.4Å; R151-R155 PolarHBondContact O-N 2.79Å; R151-A197 PolarHBondContact NH1-O 2.83Å; R151-A197 PolarHBondContact NH2-O 3.16Å; R151-D199 IonicContact NH2-OD2 2.93Å |
| 152 | K | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.8 | -179.3 | 176.9 | 165.1 | 68.1 | 0 | 111.6 | A18 R148 L149 C150 R155 D156 Y171 | A18-K152 HydrophobicContact CB-CB 3.91Å; R148-K152 WeakPolarHBondContact O-CB 3.26Å; R148-K152 PolarHBondContact O-N 2.69Å; L149-K152 WeakPolarHBondContact O-CB 3.41Å; L149-K152 PolarHBondContact O-N 2.8Å; L149-K152 VanDerWaalsContact O-N 3.16Å; C150-K152 VanDerWaalsContact C-N 3.32Å; C150-K152 PolarHBondContact O-N 2.76Å; K152-R155 PolarHBondContact O-N 3.15Å; K152-D156 WeakPolarHBondContact CG-OD2 3.49Å; K152-D156 IonicContact NZ-OD2 3.66Å; K152-D156 PolarHBondContact NZ-OD2 3.28Å; K152-D156 VanDerWaalsContact O-CB 3.31Å; K152-D156 WeakPolarHBondContact O-CB 3.43Å; K152-D156 PolarHBondContact O-N 2.98Å; K152-Y171 HydrophobicContact CD-CD2 4.33Å |
| 153 | V | 97.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 177.7 | 169 | 0 | 0 | 0 | 0 | 110.3 | L149 C150 R155 D156 V157 L164 V167 L168 | L149-V153 HydrophobicContact CD1-CG2 4.02Å; L149-V153 HydrophobicContact CG-CG2 4.45Å; L149-V153 WeakPolarHBondContact O-CG2 3.39Å; L149-V153 PolarHBondContact O-N 3.1Å; C150-V153 PolarHBondContact O-N 3.02Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 2.95Å; V153-D156 PolarHBondContact O-N 3.09Å; V153-V157 HydrophobicContact CG1-CG2 4.1Å; V153-V157 WeakPolarHBondContact O-CB 3.29Å; V153-V157 VanDerWaalsContact O-CG2 3.32Å; V153-V157 WeakPolarHBondContact O-CG2 3.21Å; V153-V157 PolarHBondContact O-N 3.31Å; V153-L164 HydrophobicContact CG1-CD1 3.65Å; V153-L164 HydrophobicContact CG2-CD1 4.41Å; V153-V167 HydrophobicContact CG2-CG1 4.18Å; V153-L168 HydrophobicContact CG2-CD2 4.06Å |
| 154 | L | 95.9 | Very high | 94.2 | Very high | 101 Ų | 101 | 69.1 Ų | 69.1 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | I | π-helix | trans | -57.9 | -44.5 | 178.1 | -70.6 | 172.2 | 0 | 0 | 0 | 112 | C150 S158 | C150-L154 WeakPolarHBondContact O-CG 3.47Å; C150-L154 PolarHBondContact O-N 3.49Å; L154-S158 WeakPolarHBondContact O-CA 3.31Å; L154-S158 WeakPolarHBondContact O-CB 3.33Å; L154-S158 PolarHBondContact O-N 3Å; L154-S158 PolarHBondContact O-OG 2.82Å |
| 155 | R | 94 | Very high | 94.3 | Very high | 82 Ų | 82 | 69 Ų | 69 | 31% | 0.309 | 38% | 0.384 | S | S | . | . | I | π-helix | trans | -66.4 | -52.8 | 178.3 | -176.2 | -163.6 | 68.2 | -165.9 | -2 | 112.1 | R151 K152 V153 M159 K160 | R151-R155 VanDerWaalsContact O-CB 3.26Å; R151-R155 WeakPolarHBondContact O-CB 3.4Å; R151-R155 PolarHBondContact O-N 2.79Å; K152-R155 PolarHBondContact O-N 3.15Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 2.95Å; R155-M159 HydrophobicContact CG-SD 4.15Å; R155-M159 WeakPolarHBondContact O-CA 3.18Å; R155-M159 WeakPolarHBondContact O-CB 3.43Å; R155-M159 PolarHBondContact O-N 3.12Å; R155-K160 PolarHBondContact O-N 3.15Å; R155-K160 VanDerWaalsContact O-N 3.13Å |
| 156 | D | 93.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -76.3 | -31.4 | -170.7 | -67.6 | -13.5 | 0 | 0 | 0 | 111.7 | K152 V153 K160 G161 R162 V167 | K152-D156 WeakPolarHBondContact CG-OD2 3.49Å; K152-D156 IonicContact NZ-OD2 3.66Å; K152-D156 PolarHBondContact NZ-OD2 3.28Å; K152-D156 VanDerWaalsContact O-CB 3.31Å; K152-D156 WeakPolarHBondContact O-CB 3.43Å; K152-D156 PolarHBondContact O-N 2.98Å; V153-D156 PolarHBondContact O-N 3.09Å; D156-K160 CarbonylContact O-C 3.52Å; D156-K160 WeakPolarHBondContact O-CB 3.23Å; D156-K160 WeakPolarHBondContact OD1-CD 3.43Å; D156-K160 WeakPolarHBondContact OD1-CE 3.43Å; D156-K160 IonicContact OD1-NZ 3.52Å; D156-K160 PolarHBondContact OD1-NZ 2.6Å; D156-K160 VanDerWaalsContact OD1-NZ 3.08Å; D156-G161 PolarHBondContact O-N 3.12Å; D156-R162 WeakPolarHBondContact O-CB 3.48Å; D156-R162 PolarHBondContact O-N 3.45Å; D156-V167 HydrophobicContact CB-CG1 4.28Å; D156-V167 HydrophobicContact CB-CG2 3.85Å |
| 157 | V | 95.5 | Very high | 94 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -81.1 | -57.4 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | V153 G161 L164 V167 | V153-V157 HydrophobicContact CG1-CG2 4.1Å; V153-V157 WeakPolarHBondContact O-CB 3.29Å; V153-V157 VanDerWaalsContact O-CG2 3.32Å; V153-V157 WeakPolarHBondContact O-CG2 3.21Å; V153-V157 PolarHBondContact O-N 3.31Å; V157-G161 VanDerWaalsContact O-CA 3.28Å; V157-G161 WeakPolarHBondContact O-CA 3.42Å; V157-G161 PolarHBondContact O-N 3.09Å; V157-G161 VanDerWaalsContact O-N 3.11Å; V157-L164 HydrophobicContact CG2-CB 4.36Å; V157-L164 HydrophobicContact CG2-CD1 4.25Å; V157-V167 HydrophobicContact CG2-CG2 4.22Å |
| 158 | S | 93.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | I | π-helix | trans | -77.9 | -35.7 | -171.1 | -48.4 | 0 | 0 | 0 | 0 | 113.6 | L154 | L154-S158 WeakPolarHBondContact O-CA 3.31Å; L154-S158 WeakPolarHBondContact O-CB 3.33Å; L154-S158 PolarHBondContact O-N 3Å; L154-S158 PolarHBondContact O-OG 2.82Å |
| 159 | M | 89.9 | Confident | 94.1 | Very high | 157 Ų | 157 | 67.6 Ų | 67.6 | 77% | 0.773 | 37% | 0.372 | S | S | * | . | I | π-helix | trans | -97.2 | -32.8 | -176.6 | -51.7 | 176.7 | 176 | 0 | 0 | 113.1 | R155 | R155-M159 HydrophobicContact CG-SD 4.15Å; R155-M159 WeakPolarHBondContact O-CA 3.18Å; R155-M159 WeakPolarHBondContact O-CB 3.43Å; R155-M159 PolarHBondContact O-N 3.12Å |
| 160 | K | 87.3 | Confident | 93.9 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -2.9 | 179.9 | -55.6 | -177 | -178.5 | 167.7 | 0 | 114.4 | R155 D156 R162 | R155-K160 PolarHBondContact O-N 3.15Å; R155-K160 VanDerWaalsContact O-N 3.13Å; D156-K160 CarbonylContact O-C 3.52Å; D156-K160 WeakPolarHBondContact O-CB 3.23Å; D156-K160 WeakPolarHBondContact OD1-CD 3.43Å; D156-K160 WeakPolarHBondContact OD1-CE 3.43Å; D156-K160 IonicContact OD1-NZ 3.52Å; D156-K160 PolarHBondContact OD1-NZ 2.6Å; D156-K160 VanDerWaalsContact OD1-NZ 3.08Å; K160-R162 VanDerWaalsContact C-N 3.29Å; K160-R162 HydrophobicContact CB-CG 4.35Å; K160-R162 PolarHBondContact O-N 3.07Å |
| 161 | G | 88.9 | Confident | 93.9 | Very high | 65 Ų | 65 | 64 Ų | 64 | 67% | 0.67 | 35% | 0.348 | S | S | * | . | trans | 67.6 | 21.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D156 V157 | D156-G161 PolarHBondContact O-N 3.12Å; V157-G161 VanDerWaalsContact O-CA 3.28Å; V157-G161 WeakPolarHBondContact O-CA 3.42Å; V157-G161 PolarHBondContact O-N 3.09Å; V157-G161 VanDerWaalsContact O-N 3.11Å | ||
| 162 | R | 90.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 66.7 Ų | 66.7 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | trans | -77.9 | 151 | 178.7 | -59.5 | -170.8 | 82.6 | 171.7 | 5.7 | 111.4 | S64 D156 K160 V167 | S64-R162 PolarHBondContact OG-NH2 2.88Å; D156-R162 WeakPolarHBondContact O-CB 3.48Å; D156-R162 PolarHBondContact O-N 3.45Å; K160-R162 VanDerWaalsContact C-N 3.29Å; K160-R162 HydrophobicContact CB-CG 4.35Å; K160-R162 PolarHBondContact O-N 3.07Å; R162-V167 HydrophobicContact CB-CG2 3.67Å | ||
| 163 | C | 93.5 | Very high | 94 | Very high | 77 Ų | 77 | 71.5 Ų | 71.5 | 52% | 0.52 | 38% | 0.383 | S | S | . | . | trans | -64.9 | 136.4 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | D165 S166 V167 | C163-D165 PolarHBondContact O-N 3.49Å; C163-S166 PolarHBondContact O-N 2.91Å; C163-V167 WeakPolarHBondContact O-CG2 3.4Å; C163-V167 PolarHBondContact O-N 3.34Å | ||
| 164 | L | 96.3 | Very high | 94 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.4 | -48.8 | 179.2 | 176.3 | 61.6 | 0 | 0 | 0 | 111.9 | V153 V157 S166 V167 L168 | V153-L164 HydrophobicContact CG1-CD1 3.65Å; V153-L164 HydrophobicContact CG2-CD1 4.41Å; V157-L164 HydrophobicContact CG2-CB 4.36Å; V157-L164 HydrophobicContact CG2-CD1 4.25Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.23Å; L164-V167 WeakPolarHBondContact O-CB 3.42Å; L164-V167 PolarHBondContact O-N 2.88Å; L164-V167 VanDerWaalsContact O-N 3.1Å; L164-L168 HydrophobicContact CD1-CD1 4.02Å; L164-L168 HydrophobicContact CD1-CG 4.06Å; L164-L168 HydrophobicContact CG-CD1 4.05Å; L164-L168 HydrophobicContact CG-CG 4.44Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.42Å |
| 165 | D | 96.2 | Very high | 94.1 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | -178 | -62.4 | -28.3 | 0 | 0 | 0 | 110.9 | C163 V167 L168 D169 | C163-D165 PolarHBondContact O-N 3.49Å; D165-V167 VanDerWaalsContact C-N 3.31Å; D165-V167 PolarHBondContact O-N 2.9Å; D165-L168 PolarHBondContact O-N 3.37Å; D165-L168 VanDerWaalsContact O-N 3.15Å; D165-D169 WeakPolarHBondContact O-CB 3.38Å; D165-D169 VanDerWaalsContact O-CG 3.28Å; D165-D169 PolarHBondContact O-N 3.48Å |
| 166 | S | 92.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | C163 L164 S170 | C163-S166 PolarHBondContact O-N 2.91Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.23Å; S166-S170 WeakPolarHBondContact O-CB 3.33Å; S166-S170 PolarHBondContact O-N 3.48Å |
| 167 | V | 94 | Very high | 94.5 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | V153 D156 V157 R162 C163 L164 D165 Y171 | V153-V167 HydrophobicContact CG2-CG1 4.18Å; D156-V167 HydrophobicContact CB-CG1 4.28Å; D156-V167 HydrophobicContact CB-CG2 3.85Å; V157-V167 HydrophobicContact CG2-CG2 4.22Å; R162-V167 HydrophobicContact CB-CG2 3.67Å; C163-V167 WeakPolarHBondContact O-CG2 3.4Å; C163-V167 PolarHBondContact O-N 3.34Å; L164-V167 WeakPolarHBondContact O-CB 3.42Å; L164-V167 PolarHBondContact O-N 2.88Å; L164-V167 VanDerWaalsContact O-N 3.1Å; D165-V167 VanDerWaalsContact C-N 3.31Å; D165-V167 PolarHBondContact O-N 2.9Å; V167-Y171 WeakPolarHBondContact O-CB 3.44Å; V167-Y171 PolarHBondContact O-N 2.83Å |
| 168 | L | 96.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70 | -44.4 | 178.3 | -67 | 178.3 | 0 | 0 | 0 | 111.6 | L149 V153 L164 D165 S170 Y171 F172 | L149-L168 HydrophobicContact CD1-CD2 4.21Å; V153-L168 HydrophobicContact CG2-CD2 4.06Å; L164-L168 HydrophobicContact CD1-CD1 4.02Å; L164-L168 HydrophobicContact CD1-CG 4.06Å; L164-L168 HydrophobicContact CG-CD1 4.05Å; L164-L168 HydrophobicContact CG-CG 4.44Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.42Å; D165-L168 PolarHBondContact O-N 3.37Å; D165-L168 VanDerWaalsContact O-N 3.15Å; L168-S170 PolarHBondContact O-N 2.91Å; L168-Y171 WeakPolarHBondContact O-CA 3.48Å; L168-Y171 WeakPolarHBondContact O-CB 3.37Å; L168-Y171 PolarHBondContact O-N 3.29Å; L168-Y171 VanDerWaalsContact O-N 3.09Å; L168-F172 WeakPolarHBondContact O-CD2 3.17Å; L168-F172 PolarHBondContact O-N 3Å |
| 169 | D | 96.1 | Very high | 94.9 | Very high | 108 Ų | 108 | 63.8 Ų | 63.8 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 176.6 | -72.7 | -19 | 0 | 0 | 0 | 111 | D165 Y171 F172 K173 | D165-D169 WeakPolarHBondContact O-CB 3.38Å; D165-D169 VanDerWaalsContact O-CG 3.28Å; D165-D169 PolarHBondContact O-N 3.48Å; D169-Y171 VanDerWaalsContact C-N 3.25Å; D169-Y171 PolarHBondContact O-N 3.46Å; D169-F172 PolarHBondContact O-N 2.65Å; D169-K173 WeakPolarHBondContact O-CB 3.36Å; D169-K173 PolarHBondContact O-N 3.36Å |
| 170 | S | 93.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | S166 L168 Y174 V175 | S166-S170 WeakPolarHBondContact O-CB 3.33Å; S166-S170 PolarHBondContact O-N 3.48Å; L168-S170 PolarHBondContact O-N 2.91Å; S170-Y174 WeakPolarHBondContact O-CB 3.3Å; S170-Y174 PolarHBondContact O-N 2.77Å; S170-V175 PolarHBondContact O-N 3.41Å |
| 171 | Y | 96.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -64.3 | -49.3 | 177.4 | 175.8 | -97.2 | 0 | 0 | 0 | 112.6 | L149 K152 V167 L168 D169 V175 K176 | L149-Y171 HydrophobicContact CB-CE2 4.37Å; L149-Y171 HydrophobicContact CD1-CD1 3.77Å; L149-Y171 HydrophobicContact CD1-CD2 3.76Å; L149-Y171 HydrophobicContact CD1-CE1 4Å; L149-Y171 HydrophobicContact CD1-CE2 4Å; L149-Y171 HydrophobicContact CD1-CG 3.63Å; L149-Y171 HydrophobicContact CD2-CD1 4.28Å; L149-Y171 HydrophobicContact CD2-CE1 3.95Å; L149-Y171 HydrophobicContact CG-CE1 4.43Å; K152-Y171 HydrophobicContact CD-CD2 4.33Å; V167-Y171 WeakPolarHBondContact O-CB 3.44Å; V167-Y171 PolarHBondContact O-N 2.83Å; L168-Y171 WeakPolarHBondContact O-CA 3.48Å; L168-Y171 WeakPolarHBondContact O-CB 3.37Å; L168-Y171 PolarHBondContact O-N 3.29Å; L168-Y171 VanDerWaalsContact O-N 3.09Å; D169-Y171 VanDerWaalsContact C-N 3.25Å; D169-Y171 PolarHBondContact O-N 3.46Å; Y171-V175 HydrophobicContact CD2-CB 3.85Å; Y171-V175 HydrophobicContact CD2-CG1 4.01Å; Y171-V175 HydrophobicContact CE2-CG1 4.35Å; Y171-V175 PolarHBondContact O-N 2.92Å; Y171-K176 HydrophobicContact CD1-CB 4.45Å; Y171-K176 HydrophobicContact CE1-CB 4Å; Y171-K176 HydrophobicContact CE1-CD 4.32Å; Y171-K176 HydrophobicContact CE2-CB 4.24Å; Y171-K176 WeakPolarHBondContact O-CB 3.47Å; Y171-K176 PolarHBondContact O-N 3.49Å |
| 172 | F | 97.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 59.6 Ų | 59.6 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -69.2 | -35.7 | -180 | -74.1 | -66.4 | 0 | 0 | 0 | 112.5 | L168 D169 P177 | L168-F172 WeakPolarHBondContact O-CD2 3.17Å; L168-F172 PolarHBondContact O-N 3Å; D169-F172 PolarHBondContact O-N 2.65Å; F172-P177 WeakPolarHBondContact O-CD 3.11Å; F172-P177 WeakPolarHBondContact O-CG 3.38Å |
| 173 | K | 97.2 | Very high | 96.7 | Very high | 118 Ų | 118 | 56.1 Ų | 56.1 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -79.6 | -39.4 | -176.1 | -167.5 | 175.7 | -179.6 | -166.1 | 0 | 113.3 | D169 | D169-K173 WeakPolarHBondContact O-CB 3.36Å; D169-K173 PolarHBondContact O-N 3.36Å |
| 174 | Y | 97.2 | Very high | 96.9 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -123.8 | -58.2 | -170.3 | -56 | -61.1 | 0 | 0 | 0 | 112.7 | E65 D67 S170 K176 P177 A178 | E65-Y174 VanDerWaalsContact CA-OH 3.31Å; E65-Y174 WeakPolarHBondContact CA-OH 3.31Å; E65-Y174 PolarHBondContact O-OH 2.77Å; D67-Y174 HydrophobicContact CB-CD1 3.5Å; D67-Y174 VanDerWaalsContact CB-CD1 3.5Å; D67-Y174 HydrophobicContact CB-CE1 3.93Å; D67-Y174 HydrophobicContact CB-CG 4.15Å; S170-Y174 WeakPolarHBondContact O-CB 3.3Å; S170-Y174 PolarHBondContact O-N 2.77Å; Y174-K176 PolarHBondContact O-N 2.75Å; Y174-P177 WeakPolarHBondContact O-CD 3.21Å; Y174-A178 WeakPolarHBondContact O-CB 3.16Å; Y174-A178 PolarHBondContact O-N 3.39Å |
| 175 | V | 97.1 | Very high | 97 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -63.7 | -46.1 | -167 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | A17 D69 S170 Y171 F179 | A17-V175 HydrophobicContact CB-CG1 3.58Å; D69-V175 WeakPolarHBondContact OD2-CG2 3.21Å; S170-V175 PolarHBondContact O-N 3.41Å; Y171-V175 HydrophobicContact CD2-CB 3.85Å; Y171-V175 HydrophobicContact CD2-CG1 4.01Å; Y171-V175 HydrophobicContact CE2-CG1 4.35Å; Y171-V175 PolarHBondContact O-N 2.92Å; V175-F179 VanDerWaalsContact O-CB 3.28Å; V175-F179 WeakPolarHBondContact O-CB 3.49Å; V175-F179 PolarHBondContact O-N 3.34Å |
| 176 | K | 97.9 | Very high | 97.1 | Very high | 80 Ų | 80 | 50.1 Ų | 50.1 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.1 | -52.3 | -179.8 | 174.9 | -174.1 | 175 | -170 | 0 | 111.3 | Y171 Y174 A178 F179 E180 | Y171-K176 HydrophobicContact CD1-CB 4.45Å; Y171-K176 HydrophobicContact CE1-CB 4Å; Y171-K176 HydrophobicContact CE1-CD 4.32Å; Y171-K176 HydrophobicContact CE2-CB 4.24Å; Y171-K176 WeakPolarHBondContact O-CB 3.47Å; Y171-K176 PolarHBondContact O-N 3.49Å; Y174-K176 PolarHBondContact O-N 2.75Å; K176-A178 PolarHBondContact O-N 2.69Å; K176-F179 WeakPolarHBondContact O-CB 3.41Å; K176-F179 PolarHBondContact O-N 2.92Å; K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 IonicContact NZ-OE1 3.59Å; K176-E180 WeakPolarHBondContact O-CG 3.25Å; K176-E180 PolarHBondContact O-N 2.89Å |
| 177 | P | 98.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.8 | -48.6 | 175.5 | -28.6 | 36.5 | 0 | 0 | 0 | 113.3 | F172 Y174 F179 E180 E181 | F172-P177 WeakPolarHBondContact O-CD 3.11Å; F172-P177 WeakPolarHBondContact O-CG 3.38Å; Y174-P177 WeakPolarHBondContact O-CD 3.21Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.82Å; P177-E180 PolarHBondContact O-N 3.32Å; P177-E180 VanDerWaalsContact O-N 3.14Å; P177-E181 WeakPolarHBondContact O-CB 3.49Å; P177-E181 PolarHBondContact O-N 2.94Å |
| 178 | A | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D69 Y174 K176 F182 C183 | D69-A178 HydrophobicContact CB-CB 3.47Å; D69-A178 VanDerWaalsContact CB-CB 3.47Å; Y174-A178 WeakPolarHBondContact O-CB 3.16Å; Y174-A178 PolarHBondContact O-N 3.39Å; K176-A178 PolarHBondContact O-N 2.69Å; A178-F182 HydrophobicContact CB-CD2 3.99Å; A178-F182 HydrophobicContact CB-CE2 4.39Å; A178-F182 WeakPolarHBondContact O-CB 3.36Å; A178-F182 PolarHBondContact O-N 3.33Å; A178-C183 PolarHBondContact O-N 3.09Å |
| 179 | F | 98.4 | Very high | 97.7 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -61.9 | -49.1 | 172.5 | 171.8 | -103.2 | 0 | 0 | 0 | 111.7 | G16 F140 V175 K176 P177 C183 L184 | G16-F179 VanDerWaalsContact CA-CE2 3.5Å; F140-F179 HydrophobicContact CZ-CE2 4.43Å; V175-F179 VanDerWaalsContact O-CB 3.28Å; V175-F179 WeakPolarHBondContact O-CB 3.49Å; V175-F179 PolarHBondContact O-N 3.34Å; K176-F179 WeakPolarHBondContact O-CB 3.41Å; K176-F179 PolarHBondContact O-N 2.92Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.82Å; F179-C183 HydrophobicContact CD2-CB 3.7Å; F179-C183 HydrophobicContact CE2-CB 4.25Å; F179-C183 PolarHBondContact O-N 3.02Å; F179-L184 HydrophobicContact CE1-CB 4.07Å; F179-L184 HydrophobicContact CE1-CD1 4.41Å; F179-L184 HydrophobicContact CE1-CD2 4.25Å; F179-L184 HydrophobicContact CE1-CG 4.48Å; F179-L184 HydrophobicContact CE2-CB 4.34Å; F179-L184 HydrophobicContact CZ-CB 3.99Å; F179-L184 HydrophobicContact CZ-CD1 4.02Å; F179-L184 HydrophobicContact CZ-CG 4.44Å; F179-L184 WeakPolarHBondContact O-CB 3.31Å; F179-L184 PolarHBondContact O-N 3.49Å |
| 180 | E | 98.4 | Very high | 97.8 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -66.9 | -37.6 | -177 | -70.4 | 173.8 | 174.4 | 0 | 0 | 112.1 | K176 P177 P185 | K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 IonicContact NZ-OE1 3.59Å; K176-E180 WeakPolarHBondContact O-CG 3.25Å; K176-E180 PolarHBondContact O-N 2.89Å; P177-E180 PolarHBondContact O-N 3.32Å; P177-E180 VanDerWaalsContact O-N 3.14Å; E180-P185 WeakPolarHBondContact O-CD 3.5Å |
| 181 | E | 98.4 | Very high | 98 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -85 | -42.3 | -175.9 | -168.3 | 176.1 | 166.2 | 0 | 0 | 113.4 | P177 P185 | P177-E181 WeakPolarHBondContact O-CB 3.49Å; P177-E181 PolarHBondContact O-N 2.94Å; E181-P185 WeakPolarHBondContact O-CG 3.16Å |
| 182 | F | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -112.6 | -36.5 | -168.4 | -51 | -59.1 | 0 | 0 | 0 | 113.9 | H70 P71 L124 Y127 A178 T186 | H70-F182 AromaticContact CD2-CE2 3.49Å; H70-F182 VanDerWaalsContact CD2-CE2 3.49Å; H70-F182 WeakPolarHBondContact CD2-CE2 3.47Å; H70-F182 AromaticContact CD2-CZ 3.53Å; H70-F182 AromaticContact NE2-CZ 3.59Å; P71-F182 VanDerWaalsContact CD-CD2 3.44Å; P71-F182 HydrophobicContact CG-CB 4.04Å; P71-F182 HydrophobicContact CG-CD1 3.69Å; P71-F182 HydrophobicContact CG-CD2 4.1Å; P71-F182 HydrophobicContact CG-CE1 4.14Å; P71-F182 HydrophobicContact CG-CG 3.66Å; L124-F182 HydrophobicContact CD1-CB 4.48Å; L124-F182 HydrophobicContact CD2-CB 3.63Å; Y127-F182 HydrophobicContact CD2-CB 4.13Å; Y127-F182 HydrophobicContact CE2-CB 4.07Å; Y127-F182 AromaticContact CE2-CD1 3.85Å; Y127-F182 HydrophobicContact CE2-CD1 3.85Å; Y127-F182 HydrophobicContact CE2-CG 4.35Å; A178-F182 HydrophobicContact CB-CD2 3.99Å; A178-F182 HydrophobicContact CB-CE2 4.39Å; A178-F182 WeakPolarHBondContact O-CB 3.36Å; A178-F182 PolarHBondContact O-N 3.33Å; F182-T186 WeakPolarHBondContact O-CG2 3.37Å |
| 183 | C | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -86.8 | -56.9 | -177.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | I123 L124 A178 F179 T186 | I123-C183 PolarHBondContact O-SG 2.78Å; L124-C183 HydrophobicContact CD2-CB 4.06Å; A178-C183 PolarHBondContact O-N 3.09Å; F179-C183 HydrophobicContact CD2-CB 3.7Å; F179-C183 HydrophobicContact CE2-CB 4.25Å; F179-C183 PolarHBondContact O-N 3.02Å; C183-T186 WeakPolarHBondContact O-CB 3.26Å; C183-T186 PolarHBondContact O-N 3.29Å; C183-T186 PolarHBondContact O-OG1 3.41Å |
| 184 | L | 98.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -56.2 | -41.7 | -174.1 | -179.4 | 62.2 | 0 | 0 | 0 | 113.2 | F179 T186 K187 | F179-L184 HydrophobicContact CE1-CB 4.07Å; F179-L184 HydrophobicContact CE1-CD1 4.41Å; F179-L184 HydrophobicContact CE1-CD2 4.25Å; F179-L184 HydrophobicContact CE1-CG 4.48Å; F179-L184 HydrophobicContact CE2-CB 4.34Å; F179-L184 HydrophobicContact CZ-CB 3.99Å; F179-L184 HydrophobicContact CZ-CD1 4.02Å; F179-L184 HydrophobicContact CZ-CG 4.44Å; F179-L184 WeakPolarHBondContact O-CB 3.31Å; F179-L184 PolarHBondContact O-N 3.49Å; L184-T186 PolarHBondContact O-N 2.84Å; L184-T186 VanDerWaalsContact O-N 3.13Å; L184-K187 HydrophobicContact CD1-CD 4.38Å; L184-K187 WeakPolarHBondContact O-CB 3.38Å; L184-K187 PolarHBondContact O-N 3.39Å |
| 185 | P | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 40% | 0.403 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.1 | 177.4 | -25.7 | 39 | 0 | 0 | 0 | 113.9 | E180 E181 K187 K188 | E180-P185 WeakPolarHBondContact O-CD 3.5Å; E181-P185 WeakPolarHBondContact O-CG 3.16Å; P185-K187 VanDerWaalsContact C-N 3.32Å; P185-K188 WeakPolarHBondContact O-CD 3.45Å; P185-K188 WeakPolarHBondContact O-CG 3.22Å |
| 186 | T | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -81.2 | -12.7 | 177.6 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | F126 Y127 F182 C183 L184 K188 Y189 | F126-T186 HydrophobicContact CB-CG2 4.43Å; Y127-T186 HydrophobicContact CD2-CG2 4.5Å; F182-T186 WeakPolarHBondContact O-CG2 3.37Å; C183-T186 WeakPolarHBondContact O-CB 3.26Å; C183-T186 PolarHBondContact O-N 3.29Å; C183-T186 PolarHBondContact O-OG1 3.41Å; L184-T186 PolarHBondContact O-N 2.84Å; L184-T186 VanDerWaalsContact O-N 3.13Å; T186-K188 PolarHBondContact O-N 2.81Å; T186-K188 VanDerWaalsContact O-N 3.09Å; T186-Y189 VanDerWaalsContact O-CD2 3.29Å; T186-Y189 WeakPolarHBondContact O-CD2 3.48Å; T186-Y189 PolarHBondContact O-N 2.96Å |
| 187 | K | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -51.7 | -33.7 | 174.7 | -176.2 | -178 | 178 | -172.4 | 0 | 112.5 | F140 E142 L184 P185 Y189 A190 I193 | F140-K187 HydrophobicContact CB-CG 4.5Å; F140-K187 HydrophobicContact CD1-CB 4.35Å; F140-K187 HydrophobicContact CD1-CD 4.22Å; F140-K187 HydrophobicContact CD1-CG 3.87Å; F140-K187 HydrophobicContact CD2-CB 4.03Å; F140-K187 HydrophobicContact CD2-CG 4.3Å; F140-K187 HydrophobicContact CE1-CB 4.27Å; F140-K187 HydrophobicContact CE1-CD 4.15Å; F140-K187 HydrophobicContact CE1-CG 4.09Å; F140-K187 HydrophobicContact CE2-CB 3.94Å; F140-K187 HydrophobicContact CE2-CG 4.49Å; F140-K187 HydrophobicContact CG-CB 4.22Å; F140-K187 HydrophobicContact CG-CG 3.97Å; F140-K187 HydrophobicContact CZ-CB 4.05Å; F140-K187 HydrophobicContact CZ-CG 4.38Å; E142-K187 IonicContact OE1-NZ 2.77Å; E142-K187 PolarHBondContact OE1-NZ 3.16Å; E142-K187 WeakPolarHBondContact OE2-CE 3.4Å; E142-K187 IonicContact OE2-NZ 3.75Å; E142-K187 PolarHBondContact OE2-NZ 2.97Å; L184-K187 HydrophobicContact CD1-CD 4.38Å; L184-K187 WeakPolarHBondContact O-CB 3.38Å; L184-K187 PolarHBondContact O-N 3.39Å; P185-K187 VanDerWaalsContact C-N 3.32Å; K187-Y189 PolarHBondContact O-N 3.47Å; K187-Y189 VanDerWaalsContact O-N 3.12Å; K187-A190 VanDerWaalsContact O-CB 3.32Å; K187-A190 WeakPolarHBondContact O-CB 3.41Å; K187-A190 PolarHBondContact O-N 3.47Å; K187-A190 VanDerWaalsContact O-N 3.08Å; K187-I193 VanDerWaalsContact CE-CD1 3.42Å; K187-I193 HydrophobicContact CG-CD1 4.37Å; K187-I193 HydrophobicContact CG-CG1 4.45Å |
| 188 | K | 98.3 | Very high | 95.9 | Very high | 154 Ų | 154 | 56.6 Ų | 56.6 | 67% | 0.67 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -62.1 | -16.4 | 178.6 | 74.7 | -170.4 | 178.4 | -179.3 | 0 | 114.7 | P185 T186 | P185-K188 WeakPolarHBondContact O-CD 3.45Å; P185-K188 WeakPolarHBondContact O-CG 3.22Å; T186-K188 PolarHBondContact O-N 2.81Å; T186-K188 VanDerWaalsContact O-N 3.09Å |
| 189 | Y | 98.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -95.5 | -0.2 | 177.9 | -52.4 | -68.5 | 0 | 0 | 0 | 113.5 | R132 K138 T186 K187 | R132-Y189 VanDerWaalsContact CD-CG 3.46Å; R132-Y189 VanDerWaalsContact CZ-CE2 3.48Å; R132-Y189 VanDerWaalsContact CZ-CZ 3.46Å; R132-Y189 VanDerWaalsContact NH1-CD2 3.35Å; K138-Y189 WeakPolarHBondContact CD-O 3.24Å; T186-Y189 VanDerWaalsContact O-CD2 3.29Å; T186-Y189 WeakPolarHBondContact O-CD2 3.48Å; T186-Y189 PolarHBondContact O-N 2.96Å; K187-Y189 PolarHBondContact O-N 3.47Å; K187-Y189 VanDerWaalsContact O-N 3.12Å |
| 190 | A | 98.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | trans | -74.1 | 139 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F126 F140 K187 I193 | F126-A190 HydrophobicContact CE2-CB 4.26Å; F140-A190 HydrophobicContact CB-CB 3.62Å; K187-A190 VanDerWaalsContact O-CB 3.32Å; K187-A190 WeakPolarHBondContact O-CB 3.41Å; K187-A190 PolarHBondContact O-N 3.47Å; K187-A190 VanDerWaalsContact O-N 3.08Å; A190-I193 HydrophobicContact CB-CG1 4.49Å | ||
| 191 | D | 98.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79.2 | -33.7 | 170 | -53.8 | -55.9 | 0 | 0 | 0 | 110 | L137 K138 | L137-D191 HydrophobicContact CD1-CB 4.05Å; K138-D191 WeakPolarHBondContact CB-OD2 3.24Å; K138-D191 PolarHBondContact N-OD2 2.86Å; K138-D191 IonicContact NZ-OD2 3.38Å; K138-D191 PolarHBondContact O-N 3.12Å |
| 192 | V | 97.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.8 | 178.4 | -180 | 0 | 0 | 0 | 0 | 110.4 | L137 K138 I139 F140 I207 | L137-V192 HydrophobicContact CD1-CG2 4.35Å; K138-V192 PolarHBondContact O-N 3.17Å; K138-V192 VanDerWaalsContact O-N 3.09Å; I139-V192 CarbonylContact C-O 3.56Å; I139-V192 WeakPolarHBondContact CA-O 3.49Å; I139-V192 HydrophobicContact CG1-CB 4.38Å; F140-V192 PolarHBondContact N-O 2.92Å; V192-I207 HydrophobicContact CG1-CD1 4.18Å; V192-I207 HydrophobicContact CG1-CG1 4.48Å |
| 193 | I | 97.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 59.3 Ų | 59.3 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.5 | 166.5 | -63 | 160 | 0 | 0 | 0 | 107.5 | F140 E142 K187 A190 P195 | F140-I193 CarbonylContact O-C 3.54Å; F140-I193 WeakPolarHBondContact O-CA 3.46Å; E142-I193 HydrophobicContact CB-CG2 3.78Å; E142-I193 VanDerWaalsContact OE2-CG2 3.25Å; E142-I193 WeakPolarHBondContact OE2-CG2 3.32Å; K187-I193 VanDerWaalsContact CE-CD1 3.42Å; K187-I193 HydrophobicContact CG-CD1 4.37Å; K187-I193 HydrophobicContact CG-CG1 4.45Å; A190-I193 HydrophobicContact CB-CG1 4.49Å; I193-P195 VanDerWaalsContact O-CD 3.24Å; I193-P195 WeakPolarHBondContact O-CD 3.48Å |
| 194 | L | 97.2 | Very high | 94 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 101.7 | 178.6 | -178.3 | 64.4 | 0 | 0 | 0 | 109.7 | I139 F140 I141 E142 A197 N200 V204 I207 | I139-L194 HydrophobicContact CG2-CB 4.07Å; F140-L194 PolarHBondContact O-N 3.24Å; I141-L194 HydrophobicContact CD1-CB 3.87Å; I141-L194 HydrophobicContact CD1-CD2 3.8Å; I141-L194 HydrophobicContact CD1-CG 4.26Å; E142-L194 PolarHBondContact N-O 3.02Å; L194-A197 HydrophobicContact CD2-CB 4.35Å; L194-N200 HydrophobicContact CD1-CB 4.44Å; L194-V204 HydrophobicContact CD2-CG2 3.93Å; L194-I207 HydrophobicContact CB-CD1 4.41Å; L194-I207 HydrophobicContact CD1-CD1 4.2Å; L194-I207 HydrophobicContact CD2-CD1 3.96Å; L194-I207 HydrophobicContact CG-CD1 4.42Å |
| 195 | P | 96.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 156.3 | 177.4 | 32.7 | -36 | 0 | 0 | 0 | 111.2 | E142 I193 A197 N200 | E142-P195 WeakPolarHBondContact O-CA 3.43Å; I193-P195 VanDerWaalsContact O-CD 3.24Å; I193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-A197 VanDerWaalsContact C-N 3.28Å; P195-A197 PolarHBondContact O-N 3.06Å; P195-N200 WeakPolarHBondContact O-CB 3.31Å; P195-N200 PolarHBondContact O-ND2 3.23Å |
| 196 | R | 89.1 | Confident | 93.5 | Very high | 156 Ų | 156 | 63.1 Ų | 63.1 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.9 | 169.9 | -56.3 | 179 | -65.5 | 117.6 | 1.3 | 113.7 | E142 D199 N200 | E142-R196 PolarHBondContact O-N 3.44Å; E142-R196 VanDerWaalsContact O-N 3.07Å; R196-D199 CarbonylContact O-C 3.47Å; R196-D199 PolarHBondContact O-N 3.45Å; R196-N200 HydrophobicContact CB-CB 4.27Å; R196-N200 PolarHBondContact O-N 3.16Å |
| 197 | A | 83.7 | Confident | 93.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 147 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A24 I141 R151 L194 P195 | A24-A197 HydrophobicContact CB-CB 4.23Å; I141-A197 HydrophobicContact CD1-CB 4.39Å; I141-A197 HydrophobicContact CG2-CB 3.54Å; R151-A197 PolarHBondContact NH1-O 2.83Å; R151-A197 PolarHBondContact NH2-O 3.16Å; L194-A197 HydrophobicContact CD2-CB 4.35Å; P195-A197 VanDerWaalsContact C-N 3.28Å; P195-A197 PolarHBondContact O-N 3.06Å |
| 198 | P | 74.8 | Confident | 93 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -86.3 | 0 | -3.1 | 37.5 | -37.1 | 0 | 0 | 0 | 113.8 | E23 K27 N200 | E23-P198 HydrophobicContact CB-CB 3.75Å; E23-P198 HydrophobicContact CB-CG 3.78Å; E23-P198 HydrophobicContact CG-CG 4.36Å; K27-P198 HydrophobicContact CD-CB 4.01Å; K27-P198 PolarHBondContact NZ-O 3.08Å; P198-N200 VanDerWaalsContact C-N 3.26Å; P198-N200 PolarHBondContact O-N 3.39Å |
| 199 | D | 88.1 | Confident | 92.7 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.9 | -170.4 | -52.3 | -42.2 | 0 | 0 | 0 | 113.8 | R151 R196 H201 | R151-D199 IonicContact NH2-OD2 2.93Å; R196-D199 CarbonylContact O-C 3.47Å; R196-D199 PolarHBondContact O-N 3.45Å; D199-H201 PolarHBondContact O-CD2 2.81Å; D199-H201 PolarHBondContact O-N 3.28Å |
| 200 | N | 91.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | trans | -75.1 | 70.9 | 173 | -171.3 | 4.4 | 0 | 0 | 0 | 111.9 | L194 P195 R196 P198 V202 G203 V204 | L194-N200 HydrophobicContact CD1-CB 4.44Å; P195-N200 WeakPolarHBondContact O-CB 3.31Å; P195-N200 PolarHBondContact O-ND2 3.23Å; R196-N200 HydrophobicContact CB-CB 4.27Å; R196-N200 PolarHBondContact O-N 3.16Å; P198-N200 VanDerWaalsContact C-N 3.26Å; P198-N200 PolarHBondContact O-N 3.39Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 2.89Å; N200-G203 PolarHBondContact O-N 3.24Å; N200-G203 PolarHBondContact OD1-N 2.95Å; N200-V204 WeakPolarHBondContact O-CG2 3.41Å; N200-V204 PolarHBondContact O-N 3.21Å | ||
| 201 | H | 90.2 | Very high | 92.1 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 178.9 | -66.4 | -81.9 | 0 | 0 | 0 | 112.2 | K27 D199 G203 V204 D205 | K27-H201 PolarHBondContact NZ-CE1 3.12Å; D199-H201 PolarHBondContact O-CD2 2.81Å; D199-H201 PolarHBondContact O-N 3.28Å; H201-G203 VanDerWaalsContact C-N 3.34Å; H201-G203 PolarHBondContact O-N 3.31Å; H201-V204 PolarHBondContact O-N 2.63Å; H201-V204 VanDerWaalsContact O-N 3.15Å; H201-D205 WeakPolarHBondContact O-CB 3.21Å; H201-D205 PolarHBondContact O-N 2.77Å |
| 202 | V | 93.7 | Very high | 91.8 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 62% | 0.624 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | N200 D205 L206 | N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 2.89Å; V202-D205 PolarHBondContact O-N 2.87Å; V202-L206 HydrophobicContact CG1-CD1 4.35Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 2.91Å |
| 203 | G | 93.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N200 H201 I207 | N200-G203 PolarHBondContact O-N 3.24Å; N200-G203 PolarHBondContact OD1-N 2.95Å; H201-G203 VanDerWaalsContact C-N 3.34Å; H201-G203 PolarHBondContact O-N 3.31Å; G203-I207 WeakPolarHBondContact O-CD1 3.38Å; G203-I207 WeakPolarHBondContact O-CG1 3.4Å; G203-I207 PolarHBondContact O-N 3.08Å |
| 204 | V | 92.6 | Very high | 91 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -41 | 175 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | K27 I28 L194 N200 H201 I207 T208 | K27-V204 HydrophobicContact CB-CG1 4.06Å; I28-V204 HydrophobicContact CG1-CG1 4.32Å; L194-V204 HydrophobicContact CD2-CG2 3.93Å; N200-V204 WeakPolarHBondContact O-CG2 3.41Å; N200-V204 PolarHBondContact O-N 3.21Å; H201-V204 PolarHBondContact O-N 2.63Å; H201-V204 VanDerWaalsContact O-N 3.15Å; V204-I207 PolarHBondContact O-N 3Å; V204-T208 HydrophobicContact CG1-CG2 4.16Å; V204-T208 WeakPolarHBondContact O-CB 3.44Å; V204-T208 VanDerWaalsContact O-CG2 3.32Å; V204-T208 WeakPolarHBondContact O-CG2 3.41Å; V204-T208 PolarHBondContact O-N 3.15Å; V204-T208 PolarHBondContact O-OG1 3.38Å |
| 205 | D | 92.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.2 | -69.1 | -19.4 | 0 | 0 | 0 | 111.1 | H201 V202 I207 T208 E209 | H201-D205 WeakPolarHBondContact O-CB 3.21Å; H201-D205 PolarHBondContact O-N 2.77Å; V202-D205 PolarHBondContact O-N 2.87Å; D205-I207 PolarHBondContact O-N 2.81Å; D205-T208 WeakPolarHBondContact CA-OG1 3.49Å; D205-T208 PolarHBondContact O-N 3.32Å; D205-T208 PolarHBondContact O-OG1 3.4Å; D205-T208 VanDerWaalsContact O-OG1 3.11Å; D205-E209 VanDerWaalsContact O-CB 3.27Å; D205-E209 WeakPolarHBondContact O-CB 3.35Å; D205-E209 PolarHBondContact O-N 2.79Å |
| 206 | L | 94.3 | Very high | 89.8 | Confident | 123 Ų | 123 | 54 Ų | 54 | 64% | 0.644 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 174.5 | -72.4 | 171.2 | 0 | 0 | 0 | 112.3 | V202 H210 | V202-L206 HydrophobicContact CG1-CD1 4.35Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 2.91Å; L206-H210 WeakPolarHBondContact O-CB 3.2Å; L206-H210 PolarHBondContact O-N 2.95Å |
| 207 | I | 93.9 | Very high | 89.3 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 177.9 | -68.8 | 163.5 | 0 | 0 | 0 | 110.1 | I28 I139 V192 L194 G203 V204 D205 H210 L211 | I28-I207 HydrophobicContact CD1-CG2 4.27Å; I139-I207 HydrophobicContact CD1-CD1 4.23Å; I139-I207 HydrophobicContact CD1-CG2 3.81Å; I139-I207 HydrophobicContact CG2-CD1 4.38Å; V192-I207 HydrophobicContact CG1-CD1 4.18Å; V192-I207 HydrophobicContact CG1-CG1 4.48Å; L194-I207 HydrophobicContact CB-CD1 4.41Å; L194-I207 HydrophobicContact CD1-CD1 4.2Å; L194-I207 HydrophobicContact CD2-CD1 3.96Å; L194-I207 HydrophobicContact CG-CD1 4.42Å; G203-I207 WeakPolarHBondContact O-CD1 3.38Å; G203-I207 WeakPolarHBondContact O-CG1 3.4Å; G203-I207 PolarHBondContact O-N 3.08Å; V204-I207 PolarHBondContact O-N 3Å; D205-I207 PolarHBondContact O-N 2.81Å; I207-H210 PolarHBondContact O-N 3.04Å; I207-L211 HydrophobicContact CG2-CD1 3.91Å; I207-L211 HydrophobicContact CG2-CG 4.37Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.39Å; I207-L211 PolarHBondContact O-N 3.36Å |
| 208 | T | 92.7 | Very high | 88.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -37 | -176 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | I28 V31 V204 D205 L211 L212 | I28-T208 HydrophobicContact CB-CG2 4.16Å; I28-T208 HydrophobicContact CG1-CG2 3.91Å; I28-T208 HydrophobicContact CG2-CG2 4.19Å; V31-T208 HydrophobicContact CB-CG2 3.89Å; V31-T208 HydrophobicContact CG1-CG2 4.02Å; V31-T208 HydrophobicContact CG2-CG2 4.3Å; V204-T208 HydrophobicContact CG1-CG2 4.16Å; V204-T208 WeakPolarHBondContact O-CB 3.44Å; V204-T208 VanDerWaalsContact O-CG2 3.32Å; V204-T208 WeakPolarHBondContact O-CG2 3.41Å; V204-T208 PolarHBondContact O-N 3.15Å; V204-T208 PolarHBondContact O-OG1 3.38Å; D205-T208 WeakPolarHBondContact CA-OG1 3.49Å; D205-T208 PolarHBondContact O-N 3.32Å; D205-T208 PolarHBondContact O-OG1 3.4Å; D205-T208 VanDerWaalsContact O-OG1 3.11Å; T208-L211 PolarHBondContact O-N 3.4Å; T208-L212 WeakPolarHBondContact O-CB 3.45Å; T208-L212 WeakPolarHBondContact O-CG 3.09Å; T208-L212 PolarHBondContact O-N 3.01Å |
| 209 | E | 93.2 | Very high | 87 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175 | -168.7 | 60.1 | -151.6 | 0 | 0 | 111.3 | D205 L212 Q213 | D205-E209 VanDerWaalsContact O-CB 3.27Å; D205-E209 WeakPolarHBondContact O-CB 3.35Å; D205-E209 PolarHBondContact O-N 2.79Å; E209-L212 PolarHBondContact O-N 2.96Å; E209-Q213 WeakPolarHBondContact O-CG 3.44Å; E209-Q213 PolarHBondContact O-N 3.35Å |
| 210 | H | 91.9 | Very high | 85 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.1 | -177.6 | 53.3 | 0 | 0 | 0 | 112.1 | L206 I207 L212 Q213 L214 | L206-H210 WeakPolarHBondContact O-CB 3.2Å; L206-H210 PolarHBondContact O-N 2.95Å; I207-H210 PolarHBondContact O-N 3.04Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 3.1Å; H210-Q213 PolarHBondContact O-N 2.85Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.21Å; H210-L214 WeakPolarHBondContact O-CG 3.32Å; H210-L214 PolarHBondContact O-N 2.95Å |
| 211 | L | 92.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.7 | -69.3 | 175.1 | 0 | 0 | 0 | 112 | F9 I11 I28 L32 L137 I207 T208 Q213 L214 V215 | F9-L211 HydrophobicContact CD1-CD2 4.14Å; F9-L211 HydrophobicContact CE1-CD2 3.68Å; I11-L211 HydrophobicContact CD1-CD1 3.54Å; I11-L211 HydrophobicContact CD1-CD2 3.52Å; I11-L211 HydrophobicContact CD1-CG 4.17Å; I11-L211 HydrophobicContact CG1-CD2 4.36Å; I28-L211 HydrophobicContact CG2-CD1 3.85Å; L32-L211 HydrophobicContact CD1-CD1 4.26Å; L32-L211 HydrophobicContact CD2-CB 3.89Å; L137-L211 HydrophobicContact CD2-CD2 3.91Å; I207-L211 HydrophobicContact CG2-CD1 3.91Å; I207-L211 HydrophobicContact CG2-CG 4.37Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.39Å; I207-L211 PolarHBondContact O-N 3.36Å; T208-L211 PolarHBondContact O-N 3.4Å; L211-Q213 VanDerWaalsContact C-N 3.35Å; L211-L214 PolarHBondContact O-N 2.81Å; L211-V215 VanDerWaalsContact O-CB 3.25Å; L211-V215 WeakPolarHBondContact O-CB 3.43Å; L211-V215 WeakPolarHBondContact O-CG2 3.33Å; L211-V215 PolarHBondContact O-N 3.13Å |
| 212 | L | 91.6 | Very high | 80.1 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.5 | -75.6 | 167.5 | 0 | 0 | 0 | 112.4 | V31 L32 K35 A36 T208 E209 H210 N216 | V31-L212 HydrophobicContact CG1-CD1 4.22Å; L32-L212 HydrophobicContact CD2-CD2 3.83Å; L32-L212 HydrophobicContact CD2-CG 3.94Å; K35-L212 HydrophobicContact CB-CD1 3.63Å; K35-L212 HydrophobicContact CB-CD2 3.5Å; K35-L212 VanDerWaalsContact CB-CD2 3.5Å; K35-L212 HydrophobicContact CB-CG 4.23Å; K35-L212 HydrophobicContact CD-CD1 3.5Å; K35-L212 VanDerWaalsContact CD-CD1 3.5Å; K35-L212 HydrophobicContact CG-CD1 4.24Å; A36-L212 HydrophobicContact CB-CD2 3.85Å; T208-L212 WeakPolarHBondContact O-CB 3.45Å; T208-L212 WeakPolarHBondContact O-CG 3.09Å; T208-L212 PolarHBondContact O-N 3.01Å; E209-L212 PolarHBondContact O-N 2.96Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 3.1Å; L212-N216 WeakPolarHBondContact O-CB 3.41Å; L212-N216 VanDerWaalsContact O-CG 3.25Å; L212-N216 PolarHBondContact O-N 3.17Å; L212-N216 PolarHBondContact O-ND2 3.13Å |
| 213 | Q | 89.8 | Confident | 77.2 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 173.9 | -70.3 | 172.6 | -2.9 | 0 | 0 | 110.5 | E209 H210 L211 V215 N216 D217 | E209-Q213 WeakPolarHBondContact O-CG 3.44Å; E209-Q213 PolarHBondContact O-N 3.35Å; H210-Q213 PolarHBondContact O-N 2.85Å; L211-Q213 VanDerWaalsContact C-N 3.35Å; Q213-V215 VanDerWaalsContact C-N 3.28Å; Q213-V215 PolarHBondContact O-N 3.38Å; Q213-N216 PolarHBondContact O-N 2.91Å; Q213-D217 WeakPolarHBondContact O-CB 3.47Å; Q213-D217 PolarHBondContact O-N 3.24Å |
| 214 | L | 87.5 | Confident | 74.8 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 179.4 | -69.2 | 176.5 | 0 | 0 | 0 | 113.5 | F9 H210 L211 L220 | F9-L214 HydrophobicContact CE1-CD1 4.36Å; F9-L214 HydrophobicContact CE2-CD1 3.94Å; F9-L214 HydrophobicContact CZ-CD1 3.7Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.21Å; H210-L214 WeakPolarHBondContact O-CG 3.32Å; H210-L214 PolarHBondContact O-N 2.95Å; L211-L214 PolarHBondContact O-N 2.81Å; L214-L220 HydrophobicContact CD2-CD2 3.9Å |
| 215 | V | 85.6 | Confident | 72.1 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -87.3 | -33 | -174.7 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | A36 K39 V117 L211 Q213 | A36-V215 HydrophobicContact CB-CG1 4.14Å; K39-V215 HydrophobicContact CB-CG1 3.74Å; K39-V215 HydrophobicContact CD-CG1 3.83Å; K39-V215 WeakPolarHBondContact CE-O 3.06Å; K39-V215 HydrophobicContact CG-CG1 3.49Å; K39-V215 VanDerWaalsContact CG-CG1 3.49Å; V117-V215 HydrophobicContact CG2-CG2 3.48Å; V117-V215 VanDerWaalsContact CG2-CG2 3.48Å; L211-V215 VanDerWaalsContact O-CB 3.25Å; L211-V215 WeakPolarHBondContact O-CB 3.43Å; L211-V215 WeakPolarHBondContact O-CG2 3.33Å; L211-V215 PolarHBondContact O-N 3.13Å; Q213-V215 VanDerWaalsContact C-N 3.28Å; Q213-V215 PolarHBondContact O-N 3.38Å |
| 216 | N | 84.5 | Confident | 69.4 | Low | 38 Ų | 38 | 86.7 Ų | 86.7 | 20% | 0.203 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -85.3 | -29.6 | -179.3 | -71.6 | -45.1 | 0 | 0 | 0 | 113.2 | K37 L212 Q213 S218 | K37-N216 WeakPolarHBondContact CG-OD1 3.28Å; L212-N216 WeakPolarHBondContact O-CB 3.41Å; L212-N216 VanDerWaalsContact O-CG 3.25Å; L212-N216 PolarHBondContact O-N 3.17Å; L212-N216 PolarHBondContact O-ND2 3.13Å; Q213-N216 PolarHBondContact O-N 2.91Å; N216-S218 PolarHBondContact O-N 3.45Å |
| 217 | D | 77 | Confident | 66.5 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 60% | 0.599 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -90.5 | 103.5 | 178.8 | -62.7 | -18.9 | 0 | 0 | 0 | 109.2 | Q213 | Q213-D217 WeakPolarHBondContact O-CB 3.47Å; Q213-D217 PolarHBondContact O-N 3.24Å |
| 218 | S | 60.7 | Low | 63.7 | Low | 111 Ų | 111 | 98.2 Ų | 98.2 | 78% | 0.776 | 50% | 0.5 | S | S | * | . | trans | -62.2 | 165.8 | 179.6 | -72 | 0 | 0 | 0 | 0 | 114.6 | N216 | N216-S218 PolarHBondContact O-N 3.45Š| ||
| 219 | P | 51 | Low | 61 | Low | 104 Ų | 104 | 103 Ų | 103 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | -81.3 | 146.3 | -88.1 | 36.1 | -23.2 | 0 | 0 | 0 | 112.4 | I221 | P219-I221 PolarHBondContact O-N 2.92Š| |||
| 220 | L | 46.1 | Very low | 58.3 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | trans | -53 | 104.3 | 178.2 | -60 | 172.9 | 0 | 0 | 0 | 112.3 | F9 L214 H222 | F9-L220 HydrophobicContact CD2-CD1 4.42Å; L214-L220 HydrophobicContact CD2-CD2 3.9Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.48Å | ||
| 221 | I | 37.6 | Very low | 55.8 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | trans | -71.1 | 94.4 | 157.6 | -57.8 | 177.1 | 0 | 0 | 0 | 105.7 | P219 N223 | P219-I221 PolarHBondContact O-N 2.92Å; I221-N223 PolarHBondContact O-N 3.26Å | ||
| 222 | H | 40.9 | Very low | 53.3 | Low | 133 Ų | 133 | 121.4 Ų | 121.4 | 62% | 0.616 | 61% | 0.611 | S | S | * | * | trans | -65.9 | 78 | 166.2 | -96.5 | 26.3 | 0 | 0 | 0 | 109.3 | L220 V224 | L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.48Å; H222-V224 HydrophobicContact CB-CG2 4.45Å; H222-V224 PolarHBondContact O-N 3.48Å | ||
| 223 | N | 32.1 | Very low | 50.7 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | -73.9 | 86.9 | 151.2 | -83.1 | -28.4 | 0 | 0 | 0 | 106.2 | I221 Q225 | I221-N223 PolarHBondContact O-N 3.26Å; N223-Q225 PolarHBondContact O-N 3.19Å | ||
| 224 | V | 42.9 | Very low | 48.3 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 81.8 | 158.6 | -176.6 | 0 | 0 | 0 | 0 | 105.6 | H222 Q226 | H222-V224 HydrophobicContact CB-CG2 4.45Å; H222-V224 PolarHBondContact O-N 3.48Å; V224-Q226 PolarHBondContact O-N 3.42Å | ||
| 225 | Q | 37.3 | Very low | 46.1 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -58.8 | 123.7 | 165.4 | -84.2 | -179.9 | -20 | 0 | 0 | 106.4 | N223 Y227 | N223-Q225 PolarHBondContact O-N 3.19Å; Q225-Y227 PolarHBondContact O-N 3.2Å | ||
| 226 | Q | 35.1 | Very low | 44 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -44.7 | 134.3 | -170.7 | -65.3 | 176.5 | -20.7 | 0 | 0 | 111.3 | V224 I228 | V224-Q226 PolarHBondContact O-N 3.42Å; Q226-I228 PolarHBondContact O-N 3.15Å | ||
| 227 | Y | 32.9 | Very low | 41.7 | Very low | 227 Ų | 227 | 145.4 Ų | 145.4 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -37.9 | 102.1 | 167.4 | -136.4 | -99.1 | 0 | 0 | 0 | 109.9 | Q225 P229 | Q225-Y227 PolarHBondContact O-N 3.2Å; Y227-P229 VanDerWaalsContact O-CD 3.27Å; Y227-P229 WeakPolarHBondContact O-CD 3.28Å | ||
| 228 | I | 35.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -80.4 | 111.7 | 164.7 | -60.2 | 178.9 | 0 | 0 | 0 | 104.8 | Q226 R230 | Q226-I228 PolarHBondContact O-N 3.15Å; I228-R230 PolarHBondContact O-N 2.95Å; I228-R230 VanDerWaalsContact O-N 3.1Å | ||
| 229 | P | 34.9 | Very low | 38.6 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 121.3 | 176.1 | -14.7 | 29.3 | 0 | 0 | 0 | 107.3 | Y227 A231 | Y227-P229 VanDerWaalsContact O-CD 3.27Å; Y227-P229 WeakPolarHBondContact O-CD 3.28Å; P229-A231 PolarHBondContact O-N 3.3Å | ||
| 230 | R | 36.6 | Very low | 37.7 | Very low | 244 Ų | 244 | 145.6 Ų | 145.6 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 115.2 | 171.5 | -84.8 | -177 | 168.8 | 154.4 | -2.1 | 107.7 | I228 R232 | I228-R230 PolarHBondContact O-N 2.95Å; I228-R230 VanDerWaalsContact O-N 3.1Å; R230-R232 PolarHBondContact O-N 3.12Å; R230-R232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | A | 39.8 | Very low | 37.4 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -52.7 | 119.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | P229 N233 | P229-A231 PolarHBondContact O-N 3.3Å; A231-N233 PolarHBondContact O-N 3.31Å | ||
| 232 | R | 39.6 | Very low | 37.3 | Very low | 237 Ų | 237 | 149.9 Ų | 149.9 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 102 | 178.5 | -165.6 | 177.7 | -171.4 | 172.5 | 0.9 | 106.2 | R230 Q234 | R230-R232 PolarHBondContact O-N 3.12Å; R230-R232 VanDerWaalsContact O-N 3.08Å; R232-Q234 PolarHBondContact O-N 3.01Å | ||
| 233 | N | 38.3 | Very low | 37.2 | Very low | 151 Ų | 151 | 155 Ų | 155 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -57 | 110.2 | 167.9 | -79.1 | -7.8 | 0 | 0 | 0 | 105.9 | A231 S235 | A231-N233 PolarHBondContact O-N 3.31Å; N233-S235 PolarHBondContact O-N 3.32Å | ||
| 234 | Q | 38.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -60.7 | 110.7 | 166.9 | -67.8 | -173 | 17.4 | 0 | 0 | 105.2 | R232 E236 | R232-Q234 PolarHBondContact O-N 3.01Å; Q234-E236 PolarHBondContact O-N 3.41Å; Q234-E236 VanDerWaalsContact O-N 3.1Å | ||
| 235 | S | 41.5 | Very low | 37.7 | Very low | 96 Ų | 96 | 161 Ų | 161 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | trans | -57.8 | 114.3 | 172.4 | 44.4 | 0 | 0 | 0 | 0 | 107.9 | N233 S237 | N233-S235 PolarHBondContact O-N 3.32Å; S235-S237 PolarHBondContact O-N 3.42Å | ||
| 236 | E | 40.7 | Very low | 37.7 | Very low | 193 Ų | 193 | 160.3 Ų | 160.3 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 75.6 | 163.6 | -70.8 | -177.2 | 162 | 0 | 0 | 108.4 | Q234 | Q234-E236 PolarHBondContact O-N 3.41Å; Q234-E236 VanDerWaalsContact O-N 3.1Å | ||
| 237 | S | 37 | Very low | 37.9 | Very low | 90 Ų | 90 | 159.5 Ų | 159.5 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | trans | -129.5 | 52.9 | 171.6 | 65.6 | 0 | 0 | 0 | 0 | 108.8 | S235 | S235-S237 PolarHBondContact O-N 3.42Š| ||
| 238 | C | 32.1 | Very low | 38.2 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -146.4 | 54.1 | 167 | -80.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 239 | V | 39.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -102.9 | 100.2 | 159.3 | -159.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 240 | G | 33.6 | Very low | 38.5 | Very low | 62 Ų | 62 | 159.3 Ų | 159.3 | 64% | 0.639 | 83% | 0.832 | S | S | * | * | trans | -61.7 | 136.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 241 | S | 38.8 | Very low | 38.7 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -113 | 78.1 | 153.4 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | R243 | S241-R243 PolarHBondContact O-N 3.11Š| ||
| 242 | F | 36.8 | Very low | 38.6 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 91% | 0.912 | 83% | 0.834 | S | S | * | * | trans | -64.4 | 120.5 | 152.7 | -70.6 | -87.6 | 0 | 0 | 0 | 106.6 | ||||
| 243 | R | 37.2 | Very low | 38.5 | Very low | 241 Ų | 241 | 152.4 Ų | 152.4 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -122.1 | 137.3 | 159.7 | -89.9 | -166.9 | 175.6 | -153.5 | 0.3 | 110.4 | S241 | S241-R243 PolarHBondContact O-N 3.11Š| ||
| 244 | P | 40 | Very low | 38.5 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | trans | -101.5 | 157.8 | -164.5 | 34.5 | -21.2 | 0 | 0 | 0 | 113.2 | ||||
| 245 | H | 46.7 | Very low | 38.5 | Very low | 267 Ų | 267 | 150 Ų | 150 | 100% | 1.236 | 83% | 0.83 | S | S | * | * | trans | 73.4 | 0 | 173.3 | -57.8 | -57.9 | 0 | 0 | 0 | 117 |
Retrieved 245 of 245 residues in 75.7 ms
(Link to these results)