| 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 | 37.5 | Very low | 80 | Confident | 244 Ų | 244 | 65.5 Ų | 65.5 | 100% | 1.202 | 36% | 0.361 | S | S | * | . | 0 | 120.8 | 0 | -81.1 | 169.6 | 153.3 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.21Š| |||
| 2 | A | 43.5 | Very low | 81.2 | Confident | 101 Ų | 101 | 60 Ų | 60 | 84% | 0.835 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 118.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108 | L4 | A2-L4 PolarHBondContact O-N 3.4Š|
| 3 | S | 56.9 | Low | 82.2 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 120.4 | 171.2 | 53.7 | 0 | 0 | 0 | 0 | 107.7 | M1 D5 | M1-S3 PolarHBondContact O-N 3.21Å; S3-D5 PolarHBondContact O-N 3.33Å |
| 4 | L | 76.3 | Confident | 83 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 121.4 | 168 | -63.8 | 166.4 | 0 | 0 | 0 | 107.1 | A2 R6 Y61 | A2-L4 PolarHBondContact O-N 3.4Å; L4-R6 PolarHBondContact O-N 3.46Å; L4-Y61 HydrophobicContact CB-CD2 4.06Å; L4-Y61 HydrophobicContact CB-CE2 4.16Å; L4-Y61 HydrophobicContact CD2-CD2 4.25Å; L4-Y61 HydrophobicContact CD2-CE2 3.48Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.48Å; L4-Y61 HydrophobicContact CG-CE2 4.25Å |
| 5 | D | 89.4 | Confident | 83.5 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | trans | -73.9 | 115.6 | 177.1 | -70.8 | -22.7 | 0 | 0 | 0 | 109.2 | S3 K58 F60 Y61 Y208 | S3-D5 PolarHBondContact O-N 3.33Å; D5-K58 WeakPolarHBondContact OD2-CE 3.45Å; D5-K58 IonicContact OD2-NZ 2.64Å; D5-K58 PolarHBondContact OD2-NZ 2.88Å; D5-F60 HydrophobicContact CB-CD1 3.39Å; D5-F60 HydrophobicContact CB-CE1 3.41Å; D5-F60 VanDerWaalsContact CB-CE1 3.41Å; D5-F60 HydrophobicContact CB-CG 4.43Å; D5-F60 HydrophobicContact CB-CZ 4.46Å; D5-Y61 PolarHBondContact O-N 2.97Å; D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.46Å | ||
| 6 | R | 92.9 | Very high | 84 | Confident | 126 Ų | 126 | 53.8 Ų | 53.8 | 48% | 0.475 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.5 | -175.2 | -68 | 167.2 | -178.8 | -143.1 | 7.6 | 110.2 | L4 Y61 E63 Y208 | L4-R6 PolarHBondContact O-N 3.46Å; R6-Y61 VanDerWaalsContact CA-O 3.28Å; R6-Y61 WeakPolarHBondContact CA-O 3.28Å; R6-E63 WeakPolarHBondContact CD-OE1 3.28Å; R6-E63 IonicContact CZ-OE1 3.85Å; R6-E63 IonicContact NH1-OE1 2.97Å; R6-E63 PolarHBondContact NH1-OE1 3.19Å; R6-Y208 PolarHBondContact N-OH 3.22Å; R6-Y208 VanDerWaalsContact N-OH 3.13Å; R6-Y208 PolarHBondContact O-OH 3.43Å |
| 7 | V | 95.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.6 | 166.7 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | Y61 I62 E63 N89 V203 I204 R207 Y208 | V7-Y61 PolarHBondContact N-O 2.9Å; V7-I62 HydrophobicContact CG2-CB 4.29Å; V7-I62 HydrophobicContact CG2-CD1 3.18Å; V7-I62 HydrophobicContact CG2-CG1 4.26Å; V7-I62 HydrophobicContact CG2-CG2 4.13Å; V7-E63 PolarHBondContact O-N 2.95Å; V7-N89 WeakPolarHBondContact CA-OD1 3.31Å; V7-N89 HydrophobicContact CB-CB 4.27Å; V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.3Å; V7-V203 HydrophobicContact CG2-CG1 4.1Å; V7-I204 HydrophobicContact CG1-CG1 4.14Å; V7-I204 HydrophobicContact CG2-CG1 4.32Å; V7-R207 HydrophobicContact CG1-CB 4.3Å; V7-R207 HydrophobicContact CG1-CG 4.24Å; V7-Y208 HydrophobicContact CG1-CD2 4.27Å; V7-Y208 HydrophobicContact CG1-CE2 3.6Å |
| 8 | K | 96 | Very high | 85.4 | Confident | 26 Ų | 26 | 49 Ų | 49 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.1 | 179.8 | 176 | 170.9 | 179 | -176.2 | 0 | 110.2 | W65 F84 N86 N89 G90 | K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.3Å; K8-F84 VanDerWaalsContact CE-O 3.3Å; K8-F84 WeakPolarHBondContact CE-O 3.44Å; K8-F84 PolarHBondContact NZ-O 3.12Å; K8-N86 PolarHBondContact NZ-O 2.87Å; K8-N89 PolarHBondContact N-OD1 3.02Å; K8-N89 WeakPolarHBondContact O-CA 3.16Å; K8-N89 WeakPolarHBondContact O-CB 3.08Å; K8-N89 PolarHBondContact O-N 3Å; K8-G90 PolarHBondContact O-N 3.24Å |
| 9 | V | 97.7 | Very high | 86 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | I62 E63 L64 W65 G90 I92 F199 F200 V203 | V9-I62 HydrophobicContact CB-CG2 4.35Å; V9-I62 HydrophobicContact CG2-CG2 3.81Å; V9-E63 PolarHBondContact N-O 2.92Å; V9-L64 HydrophobicContact CB-CD2 3.86Å; V9-L64 HydrophobicContact CG1-CD2 4.01Å; V9-W65 PolarHBondContact O-N 3.34Å; V9-G90 VanDerWaalsContact CA-O 3.27Å; V9-G90 WeakPolarHBondContact CA-O 3.33Å; V9-I92 HydrophobicContact CG1-CD1 3.93Å; V9-I92 HydrophobicContact CG1-CG1 3.73Å; V9-F199 HydrophobicContact CG1-CE1 4.01Å; V9-F199 HydrophobicContact CG1-CZ 4.13Å; V9-F200 HydrophobicContact CG2-CE1 4.45Å; V9-V203 HydrophobicContact CG2-CG1 4.19Å |
| 10 | L | 96.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141 | 174.5 | -62.9 | 177.5 | 0 | 0 | 0 | 110.2 | L12 W65 I67 Y85 V88 G90 I91 I92 A113 | L10-L12 HydrophobicContact CB-CD1 4.27Å; L10-L12 HydrophobicContact CB-CD2 4.2Å; L10-L12 HydrophobicContact CB-CG 4.02Å; L10-L12 HydrophobicContact CD1-CD1 4.33Å; L10-W65 HydrophobicContact CD2-CB 3.94Å; L10-I67 HydrophobicContact CD2-CG1 4.37Å; L10-Y85 HydrophobicContact CD1-CD1 3.53Å; L10-Y85 HydrophobicContact CD1-CE1 4.17Å; L10-Y85 HydrophobicContact CD1-CG 4.3Å; L10-Y85 HydrophobicContact CD2-CD1 4.34Å; L10-V88 HydrophobicContact CB-CG2 4.4Å; L10-V88 HydrophobicContact CD1-CB 4.04Å; L10-V88 HydrophobicContact CD1-CG2 3.75Å; L10-V88 HydrophobicContact CG-CB 4.25Å; L10-V88 HydrophobicContact CG-CG2 3.67Å; L10-G90 PolarHBondContact N-O 3.35Å; L10-I91 HydrophobicContact CB-CG1 4.32Å; L10-I91 HydrophobicContact CD1-CG1 4.46Å; L10-I91 CarbonylContact O-C 3.5Å; L10-I91 WeakPolarHBondContact O-CA 3.41Å; L10-I92 PolarHBondContact O-N 3.36Å; L10-A113 HydrophobicContact CD1-CB 4.17Å |
| 11 | V | 97.6 | Very high | 87 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.2 | 171.5 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | K19 V23 L64 W65 I67 I92 V94 | V11-K19 HydrophobicContact CG1-CB 4.09Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.24Å; V11-V23 HydrophobicContact CB-CG2 4.18Å; V11-V23 HydrophobicContact CG1-CG2 4.12Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; V11-L64 HydrophobicContact CG2-CB 4.29Å; V11-W65 PolarHBondContact N-O 3.35Å; V11-I67 PolarHBondContact O-N 3.03Å; V11-I92 WeakPolarHBondContact CA-O 3.38Å; V11-I92 HydrophobicContact CG2-CB 4.4Å; V11-I92 HydrophobicContact CG2-CD1 4.45Å; V11-V94 HydrophobicContact CG1-CG2 3.62Å |
| 12 | L | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | -168.3 | -55.2 | 177.8 | 0 | 0 | 0 | 111.4 | L10 I67 Y85 I91 I92 L93 V94 W109 A113 | L10-L12 HydrophobicContact CB-CD1 4.27Å; L10-L12 HydrophobicContact CB-CD2 4.2Å; L10-L12 HydrophobicContact CB-CG 4.02Å; L10-L12 HydrophobicContact CD1-CD1 4.33Å; L12-I67 HydrophobicContact CD2-CB 4.01Å; L12-I67 HydrophobicContact CD2-CG1 4Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; L12-I91 HydrophobicContact CD1-CG2 3.84Å; L12-I91 HydrophobicContact CG-CG2 4.27Å; L12-I92 PolarHBondContact N-O 3.01Å; L12-L93 HydrophobicContact CB-CD2 4.27Å; L12-V94 PolarHBondContact O-N 3.05Å; L12-W109 HydrophobicContact CB-CB 4.26Å; L12-W109 HydrophobicContact CB-CD2 4.32Å; L12-W109 HydrophobicContact CB-CE3 4.11Å; L12-W109 HydrophobicContact CB-CG 4.42Å; L12-W109 HydrophobicContact CD2-CE3 4.23Å; L12-W109 HydrophobicContact CD2-CZ3 4.36Å; L12-A113 HydrophobicContact CD1-CB 3.47Å; L12-A113 VanDerWaalsContact CD1-CB 3.47Å |
| 13 | G | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | 154.2 | 166.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | K19 V94 W109 | G13-K19 PolarHBondContact O-NZ 3.14Å; G13-V94 WeakPolarHBondContact CA-O 3.36Å; G13-W109 VanDerWaalsContact O-CZ2 3.28Å; G13-W109 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 14 | D | 92.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | trans | -62.5 | 161.7 | -177.1 | -72.5 | -8.5 | 0 | 0 | 0 | 112.8 | V17 K19 N105 W109 | D14-V17 HydrophobicContact CB-CG1 3.8Å; D14-V17 WeakPolarHBondContact O-CG2 3.42Å; D14-K19 PolarHBondContact O-NZ 2.95Å; D14-N105 PolarHBondContact OD2-ND2 3.09Å; D14-W109 PolarHBondContact OD1-NE1 2.77Å | ||
| 15 | S | 91.1 | Very high | 95.3 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 48% | 0.483 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 141.1 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | V17 | S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.03Å |
| 16 | G | 91.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 20.5 Ų | 20.5 | 56% | 0.557 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 0.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G18 K148 | G16-G18 PolarHBondContact O-N 3Å; G16-K148 PolarHBondContact O-NZ 3.14Å |
| 17 | V | 95.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -78.2 | -0.9 | 175 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | D14 S15 K19 V94 D96 T147 | D14-V17 HydrophobicContact CB-CG1 3.8Å; D14-V17 WeakPolarHBondContact O-CG2 3.42Å; S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.03Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; V17-V94 HydrophobicContact CG2-CB 4.16Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; V17-D96 HydrophobicContact CB-CB 4.12Å; V17-D96 HydrophobicContact CG1-CB 4.01Å; V17-T147 WeakPolarHBondContact O-CB 3.36Å; V17-T147 WeakPolarHBondContact O-CG2 3.41Å; V17-T147 PolarHBondContact O-OG1 3.04Å |
| 18 | G | 95.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 92.8 | 18 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G16 S20 S21 L22 | G16-G18 PolarHBondContact O-N 3Å; G18-S20 PolarHBondContact O-N 2.86Å; G18-S21 PolarHBondContact O-N 2.66Å; G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 2.56Å |
| 19 | K | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.4 | -50.4 | 178 | -60.9 | -170.5 | -60.8 | -76 | 0 | 113.7 | V11 G13 D14 V17 S21 L22 V23 D66 I67 V94 | V11-K19 HydrophobicContact CG1-CB 4.09Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.24Å; G13-K19 PolarHBondContact O-NZ 3.14Å; D14-K19 PolarHBondContact O-NZ 2.95Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; K19-S21 PolarHBondContact O-N 3.13Å; K19-L22 WeakPolarHBondContact O-CB 3.17Å; K19-L22 PolarHBondContact O-N 3.11Å; K19-V23 WeakPolarHBondContact O-CG2 3.44Å; K19-V23 PolarHBondContact O-N 3.49Å; K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 VanDerWaalsContact CE-OD1 3.24Å; K19-D66 WeakPolarHBondContact CE-OD1 3.46Å; K19-I67 WeakPolarHBondContact CE-O 3.47Å; K19-V94 HydrophobicContact CG-CB 4.03Å; K19-V94 HydrophobicContact CG-CG1 4.32Å; K19-V94 HydrophobicContact CG-CG2 4.2Å |
| 20 | S | 95.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 29 Ų | 29 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -40 | -178.1 | -38.8 | 0 | 0 | 0 | 0 | 112 | G18 L22 V23 H24 T38 D66 | G18-S20 PolarHBondContact O-N 2.86Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; S20-V23 PolarHBondContact O-N 3.43Å; S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 2.71Å; S20-T38 PolarHBondContact OG-OG1 2.64Å; S20-D66 WeakPolarHBondContact CB-OD2 3.27Å; S20-D66 PolarHBondContact OG-OD2 3.16Å |
| 21 | S | 96.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 112 | G18 K19 L25 | G18-S21 PolarHBondContact O-N 2.66Å; K19-S21 PolarHBondContact O-N 3.13Å; S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 3.35Å |
| 22 | L | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -48.5 | 176 | 176.2 | 66.9 | 0 | 0 | 0 | 111.9 | G18 K19 S20 H24 L25 I26 I92 V94 I145 L178 F186 | G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 2.56Å; K19-L22 WeakPolarHBondContact O-CB 3.17Å; K19-L22 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 2.83Å; L22-I92 HydrophobicContact CD2-CG2 4.41Å; L22-V94 HydrophobicContact CD2-CG1 4.07Å; L22-V94 HydrophobicContact CD2-CG2 3.58Å; L22-I145 HydrophobicContact CD1-CD1 4.08Å; L22-I145 HydrophobicContact CD1-CG2 4.07Å; L22-I145 HydrophobicContact CD2-CB 4.17Å; L22-I145 HydrophobicContact CD2-CD1 3.85Å; L22-I145 HydrophobicContact CD2-CG2 3.83Å; L22-I145 HydrophobicContact CG-CD1 4.46Å; L22-L178 HydrophobicContact CD1-CD1 4.32Å; L22-L178 HydrophobicContact CD1-CD2 3.98Å; L22-F186 HydrophobicContact CD1-CE2 3.91Å; L22-F186 HydrophobicContact CD1-CZ 4.27Å |
| 23 | V | 97.8 | Very high | 94 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 177.7 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | V11 K19 S20 L25 I26 C27 D44 L64 D66 | V11-V23 HydrophobicContact CB-CG2 4.18Å; V11-V23 HydrophobicContact CG1-CG2 4.12Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; K19-V23 WeakPolarHBondContact O-CG2 3.44Å; K19-V23 PolarHBondContact O-N 3.49Å; S20-V23 PolarHBondContact O-N 3.43Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.95Å; V23-I26 PolarHBondContact O-N 2.9Å; V23-C27 PolarHBondContact O-N 2.85Å; V23-C27 PolarHBondContact O-SG 3Å; V23-D44 HydrophobicContact CG1-CB 3.65Å; V23-L64 HydrophobicContact CG1-CB 4Å; V23-L64 HydrophobicContact CG1-CD1 4.23Å; V23-L64 HydrophobicContact CG2-CB 4.2Å; V23-L64 HydrophobicContact CG2-CD1 4.36Å; V23-D66 HydrophobicContact CG2-CB 4.3Å |
| 24 | H | 96.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 177.2 | -170.2 | 77.7 | 0 | 0 | 0 | 111.8 | S20 L22 C27 Q28 Q30 F32 | S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 2.71Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 2.9Å; H24-C27 PolarHBondContact O-N 2.83Å; H24-Q28 WeakPolarHBondContact O-CA 3.44Å; H24-Q28 VanDerWaalsContact O-CB 3.28Å; H24-Q28 WeakPolarHBondContact O-CB 3.44Å; H24-Q28 PolarHBondContact O-N 2.93Å; H24-Q30 PolarHBondContact CD2-O 2.92Å; H24-F32 HydrophobicContact CB-CB 3.86Å; H24-F32 HydrophobicContact CB-CD2 4.15Å; H24-F32 HydrophobicContact CB-CG 3.98Å; H24-F32 AromaticContact CD2-CD2 3.74Å; H24-F32 AromaticContact CE1-CD2 3.94Å; H24-F32 AromaticContact CG-CD2 3.63Å; H24-F32 AromaticContact CG-CG 3.9Å; H24-F32 AromaticContact ND1-CD2 3.77Å; H24-F32 AromaticContact NE2-CD2 3.92Å |
| 25 | L | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.8 | 177.4 | 62.6 | 0 | 0 | 0 | 111.9 | S21 L22 V23 N29 Q30 P183 F186 | S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 3.15Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.95Å; L25-N29 WeakPolarHBondContact O-CA 3.31Å; L25-N29 PolarHBondContact O-N 2.97Å; L25-Q30 WeakPolarHBondContact CA-O 3.29Å; L25-P183 HydrophobicContact CD1-CB 3.99Å; L25-F186 HydrophobicContact CD2-CD2 3.69Å; L25-F186 HydrophobicContact CD2-CE2 4.04Å; L25-F186 HydrophobicContact CG-CD2 3.86Å; L25-F186 HydrophobicContact CG-CE2 4.44Å |
| 26 | I | 97.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 179.1 | -70.2 | 169.4 | 0 | 0 | 0 | 111.6 | L22 V23 R46 L64 F186 L196 F200 | L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 2.83Å; V23-I26 PolarHBondContact O-N 2.9Å; I26-R46 PolarHBondContact O-NH1 2.87Å; I26-L64 HydrophobicContact CB-CD1 4.03Å; I26-L64 HydrophobicContact CD1-CD1 4.43Å; I26-L64 HydrophobicContact CG2-CD1 3.64Å; I26-F186 HydrophobicContact CD1-CE2 4.4Å; I26-F186 HydrophobicContact CD1-CZ 4.48Å; I26-F186 HydrophobicContact CG1-CD2 4.23Å; I26-F186 HydrophobicContact CG1-CE2 3.75Å; I26-F186 HydrophobicContact CG1-CZ 4.18Å; I26-L196 HydrophobicContact CD1-CD1 4.33Å; I26-L196 HydrophobicContact CD1-CD2 4.38Å; I26-L196 HydrophobicContact CG1-CD2 4Å; I26-L196 HydrophobicContact CG2-CD2 4.04Å; I26-F200 HydrophobicContact CG2-CE2 4.31Å; I26-F200 HydrophobicContact CG2-CZ 4.14Å |
| 27 | C | 96 | Very high | 91.5 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84.2 | -40.4 | -175.8 | -67 | 0 | 0 | 0 | 0 | 113.2 | V23 H24 D44 | V23-C27 PolarHBondContact O-N 2.85Å; V23-C27 PolarHBondContact O-SG 3Å; H24-C27 PolarHBondContact O-N 2.83Å; C27-D44 HydrophobicContact CB-CB 4.31Å; C27-D44 WeakPolarHBondContact CB-OD2 3.08Å |
| 28 | Q | 93.6 | Very high | 90.7 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -105.4 | -9.7 | -170.7 | -52.2 | -58.8 | -30.1 | 0 | 0 | 113.4 | H24 Q30 D44 | H24-Q28 WeakPolarHBondContact O-CA 3.44Å; H24-Q28 VanDerWaalsContact O-CB 3.28Å; H24-Q28 WeakPolarHBondContact O-CB 3.44Å; H24-Q28 PolarHBondContact O-N 2.93Å; Q28-Q30 HydrophobicContact CB-CB 4.29Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 2.81Å; Q28-D44 PolarHBondContact NE2-OD2 2.72Å |
| 29 | N | 91.7 | Very high | 89.8 | Confident | 93 Ų | 93 | 64 Ų | 64 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 52.9 | 33.4 | -171.9 | -164.6 | 34.3 | 0 | 0 | 0 | 112.6 | L25 | L25-N29 WeakPolarHBondContact O-CA 3.31Å; L25-N29 PolarHBondContact O-N 2.97Å |
| 30 | Q | 92.3 | Very high | 89 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -134.8 | 154.8 | -176.9 | -72.2 | -179 | 18.9 | 0 | 0 | 110.9 | H24 L25 Q28 | H24-Q30 PolarHBondContact CD2-O 2.92Å; L25-Q30 WeakPolarHBondContact CA-O 3.29Å; Q28-Q30 HydrophobicContact CB-CB 4.29Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 2.81Å |
| 31 | V | 92.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | trans | -76.1 | 133.4 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | G33 T181 P183 | V31-G33 PolarHBondContact O-N 2.88Å; V31-T181 WeakPolarHBondContact CG2-O 3.03Å; V31-P183 HydrophobicContact CG2-CG 4.5Å | ||
| 32 | F | 90.5 | Very high | 88.4 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | trans | -80.7 | 101.8 | 175.9 | -163.8 | -142.3 | 0 | 0 | 0 | 110.5 | H24 P35 | H24-F32 HydrophobicContact CB-CB 3.86Å; H24-F32 HydrophobicContact CB-CD2 4.15Å; H24-F32 HydrophobicContact CB-CG 3.98Å; H24-F32 AromaticContact CD2-CD2 3.74Å; H24-F32 AromaticContact CE1-CD2 3.94Å; H24-F32 AromaticContact CG-CD2 3.63Å; H24-F32 AromaticContact CG-CG 3.9Å; H24-F32 AromaticContact ND1-CD2 3.77Å; H24-F32 AromaticContact NE2-CD2 3.92Å; F32-P35 HydrophobicContact CD1-CB 3.62Å; F32-P35 HydrophobicContact CD1-CG 4.37Å; F32-P35 VanDerWaalsContact CE1-CA 3.42Å; F32-P35 HydrophobicContact CE1-CB 3.66Å | ||
| 33 | G | 79 | Confident | 88.2 | Confident | 61 Ų | 61 | 71 Ų | 71 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -64.7 | -41.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115 | V31 | V31-G33 PolarHBondContact O-N 2.88Š|
| 34 | N | 79.6 | Confident | 88.1 | Confident | 153 Ų | 153 | 72.6 Ų | 72.6 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -135 | 74.7 | -173.8 | -71 | -25 | 0 | 0 | 0 | 111.8 | S36 | N34-S36 PolarHBondContact O-N 3.29Š|
| 35 | P | 78.8 | Confident | 88.1 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 120.5 | 175.6 | 23.7 | -29.6 | 0 | 0 | 0 | 111.7 | F32 | F32-P35 HydrophobicContact CD1-CB 3.62Å; F32-P35 HydrophobicContact CD1-CG 4.37Å; F32-P35 VanDerWaalsContact CE1-CA 3.42Å; F32-P35 HydrophobicContact CE1-CB 3.66Å |
| 36 | S | 79.7 | Confident | 88 | Confident | 95 Ų | 95 | 76.6 Ų | 76.6 | 66% | 0.664 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -89.2 | 171.1 | 165.5 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | N34 T38 | N34-S36 PolarHBondContact O-N 3.29Å; S36-T38 PolarHBondContact O-N 3.38Å |
| 37 | W | 79.7 | Confident | 87.9 | Confident | 215 Ų | 215 | 80.5 Ų | 80.5 | 81% | 0.814 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 130.6 | 173.2 | -64.5 | 66.7 | 0 | 0 | 0 | 110.2 | V39 | W37-V39 PolarHBondContact O-N 3.01Š|
| 38 | T | 79 | Confident | 87.8 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 26% | 0.258 | 45% | 0.453 | S | S | . | . | trans | -74.2 | 115.1 | 173.8 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | S20 S36 D66 | S20-T38 PolarHBondContact OG-OG1 2.64Å; S36-T38 PolarHBondContact O-N 3.38Å; T38-D66 PolarHBondContact OG1-OD2 2.61Å | ||
| 39 | V | 78.3 | Confident | 87.8 | Confident | 135 Ų | 135 | 77.7 Ų | 77.7 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | trans | -91.7 | 113.5 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | W37 C41 | W37-V39 PolarHBondContact O-N 3.01Å; V39-C41 PolarHBondContact O-N 2.72Å; V39-C41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | G | 79.5 | Confident | 87.8 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 74 | -101.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G68 | G40-G68 PolarHBondContact O-N 2.89Š|
| 41 | C | 87.7 | Confident | 87.5 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.5 | -174.5 | 173 | 0 | 0 | 0 | 0 | 110.5 | V39 D66 I67 F84 | V39-C41 PolarHBondContact O-N 2.72Å; V39-C41 VanDerWaalsContact O-N 3.15Å; C41-D66 WeakPolarHBondContact CA-O 3.34Å; C41-I67 HydrophobicContact CB-CD1 3.85Å; C41-I67 WeakPolarHBondContact SG-CD1 3.28Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.4Å; C41-F84 HydrophobicContact CB-CE1 3.64Å; C41-F84 HydrophobicContact CB-CE2 4.14Å; C41-F84 HydrophobicContact CB-CG 4.32Å; C41-F84 HydrophobicContact CB-CZ 3.75Å |
| 42 | S | 91.8 | Very high | 87.1 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 47% | 0.469 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.5 | 167.3 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | W65 D66 | S42-W65 CarbonylContact O-C 3.6Å; S42-D66 PolarHBondContact N-O 3.22Å; S42-D66 PolarHBondContact O-N 2.86Å |
| 43 | V | 94.6 | Very high | 86.8 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 38% | 0.376 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.8 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | E63 L64 W65 | V43-E63 HydrophobicContact CG1-CB 4.04Å; V43-L64 WeakPolarHBondContact CA-O 3.2Å; V43-W65 HydrophobicContact CG2-CD2 3.52Å; V43-W65 HydrophobicContact CG2-CE3 3.73Å; V43-W65 HydrophobicContact CG2-CG 3.95Å; V43-W65 HydrophobicContact CG2-CH2 4.14Å; V43-W65 HydrophobicContact CG2-CZ2 4Å; V43-W65 HydrophobicContact CG2-CZ3 4.01Å |
| 44 | D | 96.1 | Very high | 87.3 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.2 | 167.6 | -157.1 | 0.2 | 0 | 0 | 0 | 109.2 | V23 C27 Q28 L64 | V23-D44 HydrophobicContact CG1-CB 3.65Å; C27-D44 HydrophobicContact CB-CB 4.31Å; C27-D44 WeakPolarHBondContact CB-OD2 3.08Å; Q28-D44 PolarHBondContact NE2-OD2 2.72Å; D44-L64 PolarHBondContact N-O 2.86Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 3.16Å |
| 45 | V | 96.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 75 Ų | 75 | 38% | 0.376 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.8 | -172.5 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | Y61 I62 E63 | V45-Y61 HydrophobicContact CG1-CD1 3.92Å; V45-Y61 HydrophobicContact CG1-CG 4.46Å; V45-I62 WeakPolarHBondContact CA-O 3.16Å; V45-E63 HydrophobicContact CG2-CG 4.3Å |
| 46 | R | 95.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.9 | 169.4 | 173.3 | 175.4 | 175.4 | 101.5 | 3 | 109.7 | I26 I62 | I26-R46 PolarHBondContact O-NH1 2.87Å; R46-I62 HydrophobicContact CB-CB 4.3Å; R46-I62 PolarHBondContact N-O 3.33Å; R46-I62 PolarHBondContact O-N 2.92Å |
| 47 | V | 94.7 | Very high | 88.7 | Confident | 83 Ų | 83 | 77.2 Ų | 77.2 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.9 | 166.7 | -176.9 | 0 | 0 | 0 | 0 | 108 | T59 Y61 | V47-T59 HydrophobicContact CG1-CG2 3.36Å; V47-Y61 HydrophobicContact CG2-CD1 4.37Å; V47-Y61 HydrophobicContact CG2-CE1 4.21Å |
| 48 | Q | 93.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.028 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.6 | 179.4 | 178.9 | 63.7 | 46.3 | 0 | 0 | 109.6 | F60 I62 S197 F200 I204 | Q48-F60 PolarHBondContact N-O 2.95Å; Q48-F60 PolarHBondContact O-N 3.29Å; Q48-I62 HydrophobicContact CB-CD1 3.85Å; Q48-I62 HydrophobicContact CB-CG1 3.63Å; Q48-I62 HydrophobicContact CG-CD1 4.36Å; Q48-I62 HydrophobicContact CG-CG1 4.46Å; Q48-S197 PolarHBondContact NE2-OG 2.67Å; Q48-F200 HydrophobicContact CG-CB 4.03Å; Q48-I204 HydrophobicContact CG-CD1 4.28Å |
| 49 | D | 92.9 | Very high | 90 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.8 | 170.2 | -60.5 | -45.9 | 0 | 0 | 0 | 108.4 | E52 E57 T59 | D49-E52 HydrophobicContact CB-CB 4.3Å; D49-E52 HydrophobicContact CB-CG 4.43Å; D49-E57 HydrophobicContact CB-CG 4.42Å; D49-T59 WeakPolarHBondContact OD1-CB 3.24Å; D49-T59 PolarHBondContact OD1-OG1 3.08Å |
| 50 | Y | 91.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 66.1 Ų | 66.1 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.9 | 176.3 | 170.1 | -107.5 | 0 | 0 | 0 | 109.3 | E52 E57 K58 F60 D201 I204 E205 F209 | Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.26Å; Y50-E57 VanDerWaalsContact O-CA 3.28Å; Y50-E57 WeakPolarHBondContact O-CA 3.38Å; Y50-K58 WeakPolarHBondContact CB-O 3.21Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3.23Å; Y50-K58 VanDerWaalsContact O-N 3.16Å; Y50-F60 HydrophobicContact CD1-CE2 4.26Å; Y50-F60 HydrophobicContact CG-CE2 4.14Å; Y50-D201 HydrophobicContact CD2-CB 4.07Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.48Å; Y50-D201 HydrophobicContact CE2-CB 4.2Å; Y50-I204 HydrophobicContact CD2-CB 4.34Å; Y50-I204 HydrophobicContact CD2-CD1 4.48Å; Y50-I204 HydrophobicContact CD2-CG2 4Å; Y50-I204 HydrophobicContact CE2-CG2 4.38Å; Y50-I204 HydrophobicContact CG-CG2 4.16Å; Y50-E205 HydrophobicContact CE2-CG 3.71Å; Y50-E205 WeakPolarHBondContact OH-CG 3.39Å; Y50-E205 PolarHBondContact OH-OE1 3.37Å; Y50-F209 HydrophobicContact CD1-CE2 4.07Å; Y50-F209 HydrophobicContact CE1-CD2 4.16Å; Y50-F209 AromaticContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CE2 3.47Å; Y50-F209 VanDerWaalsContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CZ 4.07Å; Y50-F209 HydrophobicContact CE2-CE2 4.45Å; Y50-F209 AromaticContact CZ-CD2 3.94Å; Y50-F209 AromaticContact CZ-CE2 3.68Å |
| 51 | K | 86.3 | Confident | 91.7 | Very high | 74 Ų | 74 | 68 Ų | 68 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47 | -176.2 | -64.8 | -174.7 | 171.5 | -177.4 | 0 | 113.1 | G53 T54 E56 | K51-G53 PolarHBondContact O-N 3.1Å; K51-T54 HydrophobicContact CB-CG2 4.28Å; K51-T54 WeakPolarHBondContact CB-OG1 3.4Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 WeakPolarHBondContact O-CG2 3.38Å; K51-T54 PolarHBondContact O-N 3.41Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.38Å; K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 WeakPolarHBondContact CD-OE2 3.38Å; K51-E56 IonicContact NZ-OE2 3.24Å; K51-E56 PolarHBondContact NZ-OE2 3.38Å |
| 52 | E | 84.6 | Confident | 92.1 | Very high | 141 Ų | 141 | 66.2 Ų | 66.2 | 66% | 0.659 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 133 | 176.3 | -170.8 | -175 | 174.1 | 0 | 0 | 111.8 | D49 Y50 T54 | D49-E52 HydrophobicContact CB-CB 4.3Å; D49-E52 HydrophobicContact CB-CG 4.43Å; Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.26Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.12Å |
| 53 | G | 84.9 | Confident | 92.4 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 8.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K51 E57 | K51-G53 PolarHBondContact O-N 3.1Å; G53-E57 PolarHBondContact N-OE2 2.9Å |
| 54 | T | 89.6 | Confident | 92.6 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -113.2 | 161.6 | 174.8 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | K51 E52 E56 E57 | K51-T54 HydrophobicContact CB-CG2 4.28Å; K51-T54 WeakPolarHBondContact CB-OG1 3.4Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 WeakPolarHBondContact O-CG2 3.38Å; K51-T54 PolarHBondContact O-N 3.41Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.38Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.12Å; T54-E56 PolarHBondContact O-N 3.12Å; T54-E56 VanDerWaalsContact O-N 3.07Å; T54-E56 PolarHBondContact OG1-N 2.79Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.19Å; T54-E57 PolarHBondContact O-N 3.1Å |
| 55 | P | 89.1 | Confident | 92.6 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 95% | 0.948 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | 172.9 | -23.6 | 34.9 | 0 | 0 | 0 | 114.8 | E57 | P55-E57 VanDerWaalsContact C-N 3.34Š|
| 56 | E | 86.9 | Confident | 92.4 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.4 | 177.4 | -62.3 | 179.7 | -166.9 | 0 | 0 | 112.6 | K51 T54 K58 | K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 WeakPolarHBondContact CD-OE2 3.38Å; K51-E56 IonicContact NZ-OE2 3.24Å; K51-E56 PolarHBondContact NZ-OE2 3.38Å; T54-E56 PolarHBondContact O-N 3.12Å; T54-E56 VanDerWaalsContact O-N 3.07Å; T54-E56 PolarHBondContact OG1-N 2.79Å; E56-K58 PolarHBondContact O-N 3.24Å |
| 57 | E | 91.3 | Very high | 92 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | trans | -55.5 | 129.1 | -178.5 | -175.1 | 178 | 136.2 | 0 | 0 | 111.5 | D49 Y50 G53 T54 P55 | D49-E57 HydrophobicContact CB-CG 4.42Å; Y50-E57 VanDerWaalsContact O-CA 3.28Å; Y50-E57 WeakPolarHBondContact O-CA 3.38Å; G53-E57 PolarHBondContact N-OE2 2.9Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.19Å; T54-E57 PolarHBondContact O-N 3.1Å; P55-E57 VanDerWaalsContact C-N 3.34Å | ||
| 58 | K | 92.4 | Very high | 91.3 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 131.4 | 177.6 | -173 | 175.5 | -170.1 | -176.3 | 0 | 111.2 | D5 Y50 E56 F60 | D5-K58 WeakPolarHBondContact OD2-CE 3.45Å; D5-K58 IonicContact OD2-NZ 2.64Å; D5-K58 PolarHBondContact OD2-NZ 2.88Å; Y50-K58 WeakPolarHBondContact CB-O 3.21Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3.23Å; Y50-K58 VanDerWaalsContact O-N 3.16Å; E56-K58 PolarHBondContact O-N 3.24Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.83Å; K58-F60 HydrophobicContact CD-CE2 3.8Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CD2 4.32Å; K58-F60 HydrophobicContact CG-CE2 3.77Å; K58-F60 HydrophobicContact CG-CZ 4.23Å; K58-F60 VanDerWaalsContact O-CD2 3.29Å; K58-F60 WeakPolarHBondContact O-CD2 3.28Å |
| 59 | T | 93.8 | Very high | 90.2 | Very high | 63 Ų | 63 | 54 Ų | 54 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.6 | 176.2 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | V47 D49 | V47-T59 HydrophobicContact CG1-CG2 3.36Å; D49-T59 WeakPolarHBondContact OD1-CB 3.24Å; D49-T59 PolarHBondContact OD1-OG1 3.08Å |
| 60 | F | 95.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 152.4 | 173.3 | -71.2 | -96.4 | 0 | 0 | 0 | 110.8 | D5 Q48 Y50 K58 I204 Y208 F209 | D5-F60 HydrophobicContact CB-CD1 3.39Å; D5-F60 HydrophobicContact CB-CE1 3.41Å; D5-F60 VanDerWaalsContact CB-CE1 3.41Å; D5-F60 HydrophobicContact CB-CG 4.43Å; D5-F60 HydrophobicContact CB-CZ 4.46Å; Q48-F60 PolarHBondContact N-O 2.95Å; Q48-F60 PolarHBondContact O-N 3.29Å; Y50-F60 HydrophobicContact CD1-CE2 4.26Å; Y50-F60 HydrophobicContact CG-CE2 4.14Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.83Å; K58-F60 HydrophobicContact CD-CE2 3.8Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CD2 4.32Å; K58-F60 HydrophobicContact CG-CE2 3.77Å; K58-F60 HydrophobicContact CG-CZ 4.23Å; K58-F60 VanDerWaalsContact O-CD2 3.29Å; K58-F60 WeakPolarHBondContact O-CD2 3.28Å; F60-I204 HydrophobicContact CB-CD1 3.81Å; F60-I204 HydrophobicContact CB-CG1 4.31Å; F60-I204 HydrophobicContact CD1-CG1 4.3Å; F60-I204 HydrophobicContact CD1-CG2 4.12Å; F60-I204 HydrophobicContact CD2-CD1 3.77Å; F60-I204 HydrophobicContact CD2-CG1 4.33Å; F60-I204 HydrophobicContact CD2-CG2 3.91Å; F60-I204 HydrophobicContact CE1-CG2 3.78Å; F60-I204 HydrophobicContact CE2-CD1 4.47Å; F60-I204 HydrophobicContact CE2-CG2 3.54Å; F60-I204 HydrophobicContact CG-CD1 3.79Å; F60-I204 HydrophobicContact CG-CG1 4.07Å; F60-I204 HydrophobicContact CG-CG2 4.19Å; F60-I204 HydrophobicContact CZ-CG2 3.46Å; F60-I204 VanDerWaalsContact CZ-CG2 3.46Å; F60-Y208 HydrophobicContact CD1-CD2 4.23Å; F60-Y208 AromaticContact CD1-CE2 3.9Å; F60-Y208 HydrophobicContact CD1-CE2 3.9Å; F60-Y208 AromaticContact CE1-CD2 3.54Å; F60-Y208 HydrophobicContact CE1-CD2 3.54Å; F60-Y208 AromaticContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CG 4.08Å; F60-Y208 HydrophobicContact CZ-CD2 4.32Å; F60-F209 HydrophobicContact CZ-CE2 4.37Å; F60-F209 HydrophobicContact CZ-CZ 4.27Å |
| 61 | Y | 96.3 | Very high | 87.4 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.6 | 174 | -64.1 | -93 | 0 | 0 | 0 | 109.2 | L4 D5 R6 V7 V45 V47 | L4-Y61 HydrophobicContact CB-CD2 4.06Å; L4-Y61 HydrophobicContact CB-CE2 4.16Å; L4-Y61 HydrophobicContact CD2-CD2 4.25Å; L4-Y61 HydrophobicContact CD2-CE2 3.48Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.48Å; L4-Y61 HydrophobicContact CG-CE2 4.25Å; D5-Y61 PolarHBondContact O-N 2.97Å; R6-Y61 VanDerWaalsContact CA-O 3.28Å; R6-Y61 WeakPolarHBondContact CA-O 3.28Å; V7-Y61 PolarHBondContact N-O 2.9Å; V45-Y61 HydrophobicContact CG1-CD1 3.92Å; V45-Y61 HydrophobicContact CG1-CG 4.46Å; V47-Y61 HydrophobicContact CG2-CD1 4.37Å; V47-Y61 HydrophobicContact CG2-CE1 4.21Å |
| 62 | I | 97.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.7 | 175.5 | -42.5 | -60.2 | 0 | 0 | 0 | 108.2 | V7 V9 V45 R46 Q48 L64 F200 I204 | V7-I62 HydrophobicContact CG2-CB 4.29Å; V7-I62 HydrophobicContact CG2-CD1 3.18Å; V7-I62 HydrophobicContact CG2-CG1 4.26Å; V7-I62 HydrophobicContact CG2-CG2 4.13Å; V9-I62 HydrophobicContact CB-CG2 4.35Å; V9-I62 HydrophobicContact CG2-CG2 3.81Å; V45-I62 WeakPolarHBondContact CA-O 3.16Å; R46-I62 HydrophobicContact CB-CB 4.3Å; R46-I62 PolarHBondContact N-O 3.33Å; R46-I62 PolarHBondContact O-N 2.92Å; Q48-I62 HydrophobicContact CB-CD1 3.85Å; Q48-I62 HydrophobicContact CB-CG1 3.63Å; Q48-I62 HydrophobicContact CG-CD1 4.36Å; Q48-I62 HydrophobicContact CG-CG1 4.46Å; I62-L64 HydrophobicContact CG2-CD2 3.85Å; I62-F200 HydrophobicContact CD1-CB 4.27Å; I62-F200 HydrophobicContact CD1-CD1 4.37Å; I62-F200 HydrophobicContact CD1-CG 4.37Å; I62-F200 HydrophobicContact CG1-CD1 4.25Å; I62-F200 HydrophobicContact CG1-CG 4.27Å; I62-F200 HydrophobicContact CG2-CD1 3.84Å; I62-F200 HydrophobicContact CG2-CE1 3.66Å; I62-F200 HydrophobicContact CG2-CZ 4.31Å; I62-I204 HydrophobicContact CD1-CD1 4.03Å; I62-I204 HydrophobicContact CD1-CG1 4.34Å |
| 63 | E | 97.8 | Very high | 84.4 | Confident | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.5 | 171.2 | -60.5 | -179.3 | 174 | 0 | 0 | 108.8 | R6 V7 V9 V43 V45 W65 | R6-E63 WeakPolarHBondContact CD-OE1 3.28Å; R6-E63 IonicContact CZ-OE1 3.85Å; R6-E63 IonicContact NH1-OE1 2.97Å; R6-E63 PolarHBondContact NH1-OE1 3.19Å; V7-E63 PolarHBondContact O-N 2.95Å; V9-E63 PolarHBondContact N-O 2.92Å; V43-E63 HydrophobicContact CG1-CB 4.04Å; V45-E63 HydrophobicContact CG2-CG 4.3Å; E63-W65 PolarHBondContact OE2-NE1 3.49Å |
| 64 | L | 97.9 | Very high | 83 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 109.8 | 173.8 | -61 | -173 | 0 | 0 | 0 | 109.5 | V9 V11 V23 I26 V43 D44 I62 I92 F200 | V9-L64 HydrophobicContact CB-CD2 3.86Å; V9-L64 HydrophobicContact CG1-CD2 4.01Å; V11-L64 HydrophobicContact CG2-CB 4.29Å; V23-L64 HydrophobicContact CG1-CB 4Å; V23-L64 HydrophobicContact CG1-CD1 4.23Å; V23-L64 HydrophobicContact CG2-CB 4.2Å; V23-L64 HydrophobicContact CG2-CD1 4.36Å; I26-L64 HydrophobicContact CB-CD1 4.03Å; I26-L64 HydrophobicContact CD1-CD1 4.43Å; I26-L64 HydrophobicContact CG2-CD1 3.64Å; V43-L64 WeakPolarHBondContact CA-O 3.2Å; D44-L64 PolarHBondContact N-O 2.86Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 3.16Å; I62-L64 HydrophobicContact CG2-CD2 3.85Å; L64-I92 HydrophobicContact CD2-CD1 4.38Å; L64-F200 HydrophobicContact CD2-CE1 4.11Å; L64-F200 HydrophobicContact CD2-CZ 4.26Å |
| 65 | W | 96.4 | Very high | 81.4 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 97.6 | -178 | -71.7 | 63.9 | 0 | 0 | 0 | 109.8 | K8 V9 L10 V11 S42 V43 E63 I67 F84 | K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.3Å; V9-W65 PolarHBondContact O-N 3.34Å; L10-W65 HydrophobicContact CD2-CB 3.94Å; V11-W65 PolarHBondContact N-O 3.35Å; S42-W65 CarbonylContact O-C 3.6Å; V43-W65 HydrophobicContact CG2-CD2 3.52Å; V43-W65 HydrophobicContact CG2-CE3 3.73Å; V43-W65 HydrophobicContact CG2-CG 3.95Å; V43-W65 HydrophobicContact CG2-CH2 4.14Å; V43-W65 HydrophobicContact CG2-CZ2 4Å; V43-W65 HydrophobicContact CG2-CZ3 4.01Å; E63-W65 PolarHBondContact OE2-NE1 3.49Å; W65-I67 HydrophobicContact CB-CD1 4.06Å; W65-I67 HydrophobicContact CE3-CD1 4.38Å; W65-I67 PolarHBondContact O-N 2.84Å; W65-F84 HydrophobicContact CE3-CD1 4.26Å; W65-F84 AromaticContact CZ3-CD1 3.92Å; W65-F84 HydrophobicContact CZ3-CD1 3.92Å |
| 66 | D | 93.1 | Very high | 79.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 103.6 | 172.4 | 178.4 | 24.3 | 0 | 0 | 0 | 109.7 | K19 S20 V23 T38 C41 S42 | K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 VanDerWaalsContact CE-OD1 3.24Å; K19-D66 WeakPolarHBondContact CE-OD1 3.46Å; S20-D66 WeakPolarHBondContact CB-OD2 3.27Å; S20-D66 PolarHBondContact OG-OD2 3.16Å; V23-D66 HydrophobicContact CG2-CB 4.3Å; T38-D66 PolarHBondContact OG1-OD2 2.61Å; C41-D66 WeakPolarHBondContact CA-O 3.34Å; S42-D66 PolarHBondContact N-O 3.22Å; S42-D66 PolarHBondContact O-N 2.86Å |
| 67 | I | 86.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.6 | -177.9 | -49.9 | -54.6 | 0 | 0 | 0 | 109.9 | L10 V11 L12 K19 C41 W65 R81 F84 | L10-I67 HydrophobicContact CD2-CG1 4.37Å; V11-I67 PolarHBondContact O-N 3.03Å; L12-I67 HydrophobicContact CD2-CB 4.01Å; L12-I67 HydrophobicContact CD2-CG1 4Å; K19-I67 WeakPolarHBondContact CE-O 3.47Å; C41-I67 HydrophobicContact CB-CD1 3.85Å; C41-I67 WeakPolarHBondContact SG-CD1 3.28Å; W65-I67 HydrophobicContact CB-CD1 4.06Å; W65-I67 HydrophobicContact CE3-CD1 4.38Å; W65-I67 PolarHBondContact O-N 2.84Å; I67-R81 HydrophobicContact CG2-CG 3.47Å; I67-R81 VanDerWaalsContact CG2-CG 3.47Å; I67-F84 HydrophobicContact CD1-CB 3.77Å; I67-F84 HydrophobicContact CD1-CD2 4.42Å; I67-F84 HydrophobicContact CD1-CG 4.03Å; I67-F84 HydrophobicContact CG2-CD2 4.49Å |
| 68 | G | 79.1 | Confident | 76.8 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | trans | -74.1 | 166.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G40 | G40-G68 PolarHBondContact O-N 2.89Š| ||
| 69 | G | 70.6 | Confident | 75.2 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | trans | 122.1 | -175 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 70 | S | 65.1 | Low | 74 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | trans | -133.5 | 144.8 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | G72 S73 | S70-G72 PolarHBondContact O-N 3.14Å; S70-G72 PolarHBondContact OG-N 3.49Å; S70-S73 PolarHBondContact O-N 2.9Å | ||
| 71 | V | 61.2 | Low | 73.2 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.5 | 176.5 | -69.1 | 0 | 0 | 0 | 0 | 113.7 | N105 R108 W109 | V71-N105 HydrophobicContact CG2-CB 3.84Å; V71-R108 HydrophobicContact CB-CB 4.48Å; V71-R108 HydrophobicContact CG1-CB 4.19Å; V71-W109 HydrophobicContact CG1-CD2 3.72Å; V71-W109 HydrophobicContact CG1-CG 3.82Å; V71-W109 HydrophobicContact CG1-CZ2 3.92Å |
| 72 | G | 53.3 | Low | 72.5 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 69% | 0.691 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S70 | S70-G72 PolarHBondContact O-N 3.14Å; S70-G72 PolarHBondContact OG-N 3.49Å |
| 73 | S | 54.4 | Low | 71.7 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -74.6 | 149.5 | -178.6 | -77.5 | 0 | 0 | 0 | 0 | 112.5 | S70 | S70-S73 PolarHBondContact O-N 2.9Š|
| 74 | A | 56.1 | Low | 71 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | trans | -47.8 | 152.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S76 I77 | A74-S76 PolarHBondContact O-N 3.31Å; A74-I77 PolarHBondContact O-N 3.43Å | ||
| 75 | S | 56.1 | Low | 70.4 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -49.1 | -32 | -177.9 | 51 | 0 | 0 | 0 | 0 | 113.8 | I77 K78 S79 | S75-I77 VanDerWaalsContact C-N 3.34Å; S75-I77 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 2.89Å; S75-S79 PolarHBondContact O-N 3.37Å; S75-S79 PolarHBondContact O-OG 3.3Å; S75-S79 VanDerWaalsContact O-OG 3.11Å |
| 76 | S | 50.4 | Low | 69.8 | Low | 70 Ų | 70 | 48.8 Ų | 48.8 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | A74 T80 | A74-S76 PolarHBondContact O-N 3.31Å; S76-T80 PolarHBondContact O-N 2.71Å; S76-T80 VanDerWaalsContact O-N 3.12Å; S76-T80 PolarHBondContact O-OG1 2.99Å |
| 77 | I | 58.7 | Low | 69.3 | Low | 73 Ų | 73 | 53.6 Ų | 53.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78.9 | -35 | 179.1 | -66.6 | 166.5 | 0 | 0 | 0 | 110.5 | A74 S75 T80 R81 | A74-I77 PolarHBondContact O-N 3.43Å; S75-I77 VanDerWaalsContact C-N 3.34Å; S75-I77 PolarHBondContact O-N 2.86Å; I77-T80 PolarHBondContact O-N 2.85Å; I77-R81 WeakPolarHBondContact O-CB 3.27Å; I77-R81 PolarHBondContact O-N 3.35Å |
| 78 | K | 60.7 | Low | 69.5 | Low | 52 Ų | 52 | 54.8 Ų | 54.8 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 170 | -71.3 | -168.2 | 166.6 | -164.2 | 0 | 111.1 | S75 T80 R81 A82 D117 | S75-K78 PolarHBondContact O-N 2.89Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.78Å; K78-R81 PolarHBondContact O-N 3.04Å; K78-R81 VanDerWaalsContact O-N 3.14Å; K78-A82 PolarHBondContact O-N 3.13Å; K78-D117 IonicContact NZ-OD2 2.85Å; K78-D117 PolarHBondContact NZ-OD2 2.83Å |
| 79 | S | 59.9 | Low | 70.3 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | 176.7 | -59 | 0 | 0 | 0 | 0 | 112.7 | S75 | S75-S79 PolarHBondContact O-N 3.37Å; S75-S79 PolarHBondContact O-OG 3.3Å; S75-S79 VanDerWaalsContact O-OG 3.11Å |
| 80 | T | 68.2 | Low | 71.5 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.4 | -37 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | S76 I77 K78 V83 | S76-T80 PolarHBondContact O-N 2.71Å; S76-T80 VanDerWaalsContact O-N 3.12Å; S76-T80 PolarHBondContact O-OG1 2.99Å; I77-T80 PolarHBondContact O-N 2.85Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.78Å; T80-V83 WeakPolarHBondContact O-CG2 3.41Å |
| 81 | R | 78.8 | Confident | 73 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.3 | -29.8 | -178.2 | -169.2 | 168.3 | 50.9 | -119.2 | 1.4 | 113.4 | I67 I77 K78 V83 F84 Y85 E112 | I67-R81 HydrophobicContact CG2-CG 3.47Å; I67-R81 VanDerWaalsContact CG2-CG 3.47Å; I77-R81 WeakPolarHBondContact O-CB 3.27Å; I77-R81 PolarHBondContact O-N 3.35Å; K78-R81 PolarHBondContact O-N 3.04Å; K78-R81 VanDerWaalsContact O-N 3.14Å; R81-V83 PolarHBondContact O-N 3.48Å; R81-V83 VanDerWaalsContact O-N 3.09Å; R81-F84 HydrophobicContact CG-CD2 4.45Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 WeakPolarHBondContact O-CD2 3.25Å; R81-F84 PolarHBondContact O-N 3.44Å; R81-Y85 WeakPolarHBondContact CD-OH 3.44Å; R81-Y85 HydrophobicContact CG-CE1 4.1Å; R81-Y85 HydrophobicContact CG-CE2 4.27Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 3.49Å; R81-E112 IonicContact CZ-OE1 3.78Å; R81-E112 IonicContact CZ-OE2 2.72Å; R81-E112 IonicContact NE-OE1 2.56Å; R81-E112 PolarHBondContact NE-OE1 3.27Å; R81-E112 IonicContact NH2-OE1 2.71Å; R81-E112 PolarHBondContact NH2-OE1 3.07Å; R81-E112 IonicContact NH2-OE2 3.18Å; R81-E112 PolarHBondContact NH2-OE2 2.76Å |
| 82 | A | 79.9 | Confident | 74.8 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.9 | -29 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K78 F84 Y85 | K78-A82 PolarHBondContact O-N 3.13Å; A82-F84 PolarHBondContact O-N 2.84Å; A82-F84 VanDerWaalsContact O-N 3.14Å; A82-Y85 PolarHBondContact O-N 2.96Å |
| 83 | V | 80.7 | Confident | 76.9 | Confident | 89 Ų | 89 | 48 Ų | 48 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.2 | 176.6 | -51 | 0 | 0 | 0 | 0 | 112.6 | T80 R81 N86 | T80-V83 WeakPolarHBondContact O-CG2 3.41Å; R81-V83 PolarHBondContact O-N 3.48Å; R81-V83 VanDerWaalsContact O-N 3.09Å; V83-N86 PolarHBondContact O-ND2 2.92Å |
| 84 | F | 84.9 | Confident | 79 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.3 | 179.8 | -58 | -64.2 | 0 | 0 | 0 | 113.4 | K8 C41 W65 I67 R81 A82 | K8-F84 VanDerWaalsContact CE-O 3.3Å; K8-F84 WeakPolarHBondContact CE-O 3.44Å; K8-F84 PolarHBondContact NZ-O 3.12Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.4Å; C41-F84 HydrophobicContact CB-CE1 3.64Å; C41-F84 HydrophobicContact CB-CE2 4.14Å; C41-F84 HydrophobicContact CB-CG 4.32Å; C41-F84 HydrophobicContact CB-CZ 3.75Å; W65-F84 HydrophobicContact CE3-CD1 4.26Å; W65-F84 AromaticContact CZ3-CD1 3.92Å; W65-F84 HydrophobicContact CZ3-CD1 3.92Å; I67-F84 HydrophobicContact CD1-CB 3.77Å; I67-F84 HydrophobicContact CD1-CD2 4.42Å; I67-F84 HydrophobicContact CD1-CG 4.03Å; I67-F84 HydrophobicContact CG2-CD2 4.49Å; R81-F84 HydrophobicContact CG-CD2 4.45Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 WeakPolarHBondContact O-CD2 3.25Å; R81-F84 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.84Å; A82-F84 VanDerWaalsContact O-N 3.14Å |
| 85 | Y | 85.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -88.6 | -7.1 | -175.7 | -57.8 | -27.7 | 0 | 0 | 0 | 114.4 | L10 L12 R81 A82 S87 W109 E112 A113 | L10-Y85 HydrophobicContact CD1-CD1 3.53Å; L10-Y85 HydrophobicContact CD1-CE1 4.17Å; L10-Y85 HydrophobicContact CD1-CG 4.3Å; L10-Y85 HydrophobicContact CD2-CD1 4.34Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; R81-Y85 WeakPolarHBondContact CD-OH 3.44Å; R81-Y85 HydrophobicContact CG-CE1 4.1Å; R81-Y85 HydrophobicContact CG-CE2 4.27Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 3.49Å; A82-Y85 PolarHBondContact O-N 2.96Å; Y85-S87 PolarHBondContact O-N 3.15Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.37Å; Y85-E112 HydrophobicContact CE2-CB 4.42Å; Y85-E112 HydrophobicContact CE2-CG 3.84Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.39Å; Y85-E112 PolarHBondContact OH-OE1 3.46Å; Y85-A113 HydrophobicContact CD1-CB 4.42Å; Y85-A113 HydrophobicContact CD2-CB 4.47Å; Y85-A113 HydrophobicContact CE1-CB 4.48Å; Y85-A113 HydrophobicContact CG-CB 4.39Å |
| 86 | N | 82.2 | Confident | 82.9 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 138.7 | 176.9 | -68.4 | -38.1 | 0 | 0 | 0 | 112 | K8 V83 V88 | K8-N86 PolarHBondContact NZ-O 2.87Å; V83-N86 PolarHBondContact O-ND2 2.92Å; N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.94Å |
| 87 | S | 84.4 | Confident | 85.2 | Confident | 105 Ų | 105 | 36.7 Ų | 36.7 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 36.4 | 173.6 | -53 | 0 | 0 | 0 | 0 | 114.7 | Y85 N89 | Y85-S87 PolarHBondContact O-N 3.15Å; S87-N89 PolarHBondContact O-ND2 3.15Å |
| 88 | V | 90.6 | Very high | 87.1 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | trans | -65.2 | 138.2 | 174.6 | 63 | 0 | 0 | 0 | 0 | 111.8 | L10 N86 G90 I91 V140 | L10-V88 HydrophobicContact CB-CG2 4.4Å; L10-V88 HydrophobicContact CD1-CB 4.04Å; L10-V88 HydrophobicContact CD1-CG2 3.75Å; L10-V88 HydrophobicContact CG-CB 4.25Å; L10-V88 HydrophobicContact CG-CG2 3.67Å; N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.94Å; V88-G90 WeakPolarHBondContact CG2-O 3.44Å; V88-I91 HydrophobicContact CG2-CD1 4.42Å; V88-I91 HydrophobicContact CG2-CG1 3.74Å; V88-V140 HydrophobicContact CG1-CG1 4.47Å; V88-V140 HydrophobicContact CG1-CG2 4.15Å; V88-V140 HydrophobicContact CG2-CG1 4.17Å | ||
| 89 | N | 94.6 | Very high | 88.8 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | trans | -111.6 | -24.4 | 177.4 | -49.6 | 134 | 0 | 0 | 0 | 112.8 | V7 K8 S87 P141 V203 | V7-N89 WeakPolarHBondContact CA-OD1 3.31Å; V7-N89 HydrophobicContact CB-CB 4.27Å; K8-N89 PolarHBondContact N-OD1 3.02Å; K8-N89 WeakPolarHBondContact O-CA 3.16Å; K8-N89 WeakPolarHBondContact O-CB 3.08Å; K8-N89 PolarHBondContact O-N 3Å; S87-N89 PolarHBondContact O-ND2 3.15Å; N89-P141 WeakPolarHBondContact O-CD 3.33Å; N89-V203 HydrophobicContact CB-CG1 3.75Å | ||
| 90 | G | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 161.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K8 V9 L10 V88 P141 | K8-G90 PolarHBondContact O-N 3.24Å; V9-G90 VanDerWaalsContact CA-O 3.27Å; V9-G90 WeakPolarHBondContact CA-O 3.33Å; L10-G90 PolarHBondContact N-O 3.35Å; V88-G90 WeakPolarHBondContact CG2-O 3.44Å; G90-P141 WeakPolarHBondContact CA-O 3.41Å |
| 91 | I | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.5 | 175.9 | -57.1 | 169.1 | 0 | 0 | 0 | 109.6 | L10 L12 V88 L93 A113 L114 V140 P141 L142 L143 | L10-I91 HydrophobicContact CB-CG1 4.32Å; L10-I91 HydrophobicContact CD1-CG1 4.46Å; L10-I91 CarbonylContact O-C 3.5Å; L10-I91 WeakPolarHBondContact O-CA 3.41Å; L12-I91 HydrophobicContact CD1-CG2 3.84Å; L12-I91 HydrophobicContact CG-CG2 4.27Å; V88-I91 HydrophobicContact CG2-CD1 4.42Å; V88-I91 HydrophobicContact CG2-CG1 3.74Å; I91-L93 HydrophobicContact CG2-CD2 3.85Å; I91-L93 HydrophobicContact CG2-CG 4.12Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; I91-L114 HydrophobicContact CD1-CD2 3.92Å; I91-L114 HydrophobicContact CD1-CG 4.11Å; I91-V140 HydrophobicContact CD1-CG1 4.15Å; I91-V140 HydrophobicContact CG1-CG1 3.92Å; I91-P141 PolarHBondContact N-O 3.19Å; I91-L142 HydrophobicContact CB-CD2 3.61Å; I91-L142 HydrophobicContact CD1-CD2 4.04Å; I91-L142 HydrophobicContact CG1-CD2 4.23Å; I91-L142 HydrophobicContact CG2-CD2 4.27Å; I91-L142 CarbonylContact O-C 3.59Å; I91-L142 WeakPolarHBondContact O-CA 3.31Å; I91-L143 PolarHBondContact O-N 3.36Å |
| 92 | I | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.1 | 167.1 | -59.2 | 177.4 | 0 | 0 | 0 | 107.5 | V9 L10 V11 L12 L22 L64 V94 L143 I145 F199 | V9-I92 HydrophobicContact CG1-CD1 3.93Å; V9-I92 HydrophobicContact CG1-CG1 3.73Å; L10-I92 PolarHBondContact O-N 3.36Å; V11-I92 WeakPolarHBondContact CA-O 3.38Å; V11-I92 HydrophobicContact CG2-CB 4.4Å; V11-I92 HydrophobicContact CG2-CD1 4.45Å; L12-I92 PolarHBondContact N-O 3.01Å; L22-I92 HydrophobicContact CD2-CG2 4.41Å; L64-I92 HydrophobicContact CD2-CD1 4.38Å; I92-V94 HydrophobicContact CG2-CG2 3.89Å; I92-L143 CarbonylContact C-O 3.6Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.37Å; I92-L143 HydrophobicContact CG1-CB 4.27Å; I92-L143 HydrophobicContact CG1-CD2 4.25Å; I92-I145 HydrophobicContact CG2-CB 4.4Å; I92-I145 HydrophobicContact CG2-CD1 3.7Å; I92-I145 HydrophobicContact CG2-CG1 3.92Å; I92-F199 HydrophobicContact CD1-CE1 4.07Å; I92-F199 HydrophobicContact CG1-CE1 3.73Å; I92-F199 HydrophobicContact CG1-CZ 3.95Å |
| 93 | L | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.1 | 175.5 | -65.1 | 175.3 | 0 | 0 | 0 | 109 | L12 I91 L106 W109 L143 L144 I145 F171 | L12-L93 HydrophobicContact CB-CD2 4.27Å; I91-L93 HydrophobicContact CG2-CD2 3.85Å; I91-L93 HydrophobicContact CG2-CG 4.12Å; L93-L106 HydrophobicContact CB-CD1 4.11Å; L93-L106 HydrophobicContact CB-CD2 4.13Å; L93-W109 HydrophobicContact CD2-CB 4.4Å; L93-L143 PolarHBondContact N-O 2.89Å; L93-L144 HydrophobicContact CB-CD1 4.13Å; L93-I145 PolarHBondContact O-N 3.37Å; L93-F171 HydrophobicContact CD1-CD1 3.86Å; L93-F171 HydrophobicContact CD1-CD2 4.09Å; L93-F171 HydrophobicContact CD1-CE1 3.89Å; L93-F171 HydrophobicContact CD1-CE2 4.07Å; L93-F171 HydrophobicContact CD1-CG 4Å; L93-F171 HydrophobicContact CD1-CZ 4Å |
| 94 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126 | -172.7 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | V11 L12 G13 V17 K19 L22 I92 L106 I145 T147 | V11-V94 HydrophobicContact CG1-CG2 3.62Å; L12-V94 PolarHBondContact O-N 3.05Å; G13-V94 WeakPolarHBondContact CA-O 3.36Å; V17-V94 HydrophobicContact CG2-CB 4.16Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; K19-V94 HydrophobicContact CG-CB 4.03Å; K19-V94 HydrophobicContact CG-CG1 4.32Å; K19-V94 HydrophobicContact CG-CG2 4.2Å; L22-V94 HydrophobicContact CD2-CG1 4.07Å; L22-V94 HydrophobicContact CD2-CG2 3.58Å; I92-V94 HydrophobicContact CG2-CG2 3.89Å; V94-L106 WeakPolarHBondContact O-CD2 3.33Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; V94-T147 HydrophobicContact CG1-CG2 3.61Å |
| 95 | H | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163 | 171.9 | 71.2 | 95.3 | 0 | 0 | 0 | 111.7 | L106 I145 T147 | H95-L106 HydrophobicContact CB-CD1 3.98Å; H95-L106 HydrophobicContact CB-CD2 4.38Å; H95-L106 HydrophobicContact CB-CG 4.29Å; H95-I145 PolarHBondContact N-O 3.44Å; H95-T147 PolarHBondContact O-N 3.34Å; H95-T147 PolarHBondContact O-OG1 3Å |
| 96 | D | 97.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.5 | 175.7 | 177.1 | -14.1 | 0 | 0 | 0 | 108.4 | V17 T98 N99 S102 K148 | V17-D96 HydrophobicContact CB-CB 4.12Å; V17-D96 HydrophobicContact CG1-CB 4.01Å; D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CA 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.22Å; D96-T98 PolarHBondContact OD1-N 3.47Å; D96-T98 PolarHBondContact OD1-OG1 2.62Å; D96-T98 PolarHBondContact OD2-OG1 2.67Å; D96-N99 HydrophobicContact CB-CB 4.03Å; D96-N99 CarbonylContact O-C 3.55Å; D96-N99 PolarHBondContact O-N 3.47Å; D96-N99 VanDerWaalsContact O-O 3.12Å; D96-S102 PolarHBondContact N-OG 2.9Å; D96-S102 PolarHBondContact O-OG 3.19Å; D96-K148 WeakPolarHBondContact OD2-CD 3.43Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.32Å; D96-K148 IonicContact OD2-NZ 2.84Å; D96-K148 PolarHBondContact OD2-NZ 2.72Å |
| 97 | L | 98.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.8 | -177.7 | -69.8 | 165 | 0 | 0 | 0 | 112.6 | N99 T147 F149 I152 V160 T164 N177 | L97-N99 VanDerWaalsContact C-N 3.35Å; L97-T147 VanDerWaalsContact CB-O 3.27Å; L97-T147 WeakPolarHBondContact CB-O 3.36Å; L97-T147 WeakPolarHBondContact CD1-O 3.4Å; L97-T147 VanDerWaalsContact CG-O 3.28Å; L97-T147 WeakPolarHBondContact CG-O 3.47Å; L97-T147 PolarHBondContact N-O 3.38Å; L97-F149 HydrophobicContact CD1-CB 3.75Å; L97-F149 HydrophobicContact CD1-CD2 3.82Å; L97-F149 HydrophobicContact CD1-CG 4.28Å; L97-I152 VanDerWaalsContact C-CD1 3.48Å; L97-I152 HydrophobicContact CB-CD1 3.6Å; L97-I152 HydrophobicContact CB-CG1 3.9Å; L97-I152 WeakPolarHBondContact O-CD1 3.35Å; L97-V160 HydrophobicContact CB-CG1 4.3Å; L97-V160 HydrophobicContact CD2-CG1 3.79Å; L97-T164 HydrophobicContact CD2-CG2 3.71Å; L97-N177 HydrophobicContact CD1-CB 4.01Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.32Å |
| 98 | T | 97.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 27 Ų | 27 | 43% | 0.429 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.7 | 175.7 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | D96 K148 Q151 I152 | D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CA 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.22Å; D96-T98 PolarHBondContact OD1-N 3.47Å; D96-T98 PolarHBondContact OD1-OG1 2.62Å; D96-T98 PolarHBondContact OD2-OG1 2.67Å; T98-K148 HydrophobicContact CG2-CB 4.24Å; T98-Q151 HydrophobicContact CG2-CB 3.66Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å |
| 99 | N | 96.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 25.9 Ų | 25.9 | 36% | 0.364 | 12% | 0.124 | S | C | . | . | trans | -118.8 | 93.4 | -176.3 | -179 | -1.4 | 0 | 0 | 0 | 111.6 | D96 L97 K101 S102 | D96-N99 HydrophobicContact CB-CB 4.03Å; D96-N99 CarbonylContact O-C 3.55Å; D96-N99 PolarHBondContact O-N 3.47Å; D96-N99 VanDerWaalsContact O-O 3.12Å; L97-N99 VanDerWaalsContact C-N 3.35Å; N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 VanDerWaalsContact O-N 3.1Å; N99-K101 WeakPolarHBondContact OD1-CB 3.48Å; N99-K101 PolarHBondContact OD1-N 3.4Å; N99-S102 WeakPolarHBondContact O-CB 3.47Å; N99-S102 PolarHBondContact O-N 3.33Å; N99-S102 PolarHBondContact O-OG 3Å; N99-S102 PolarHBondContact OD1-N 2.64Å | ||
| 100 | K | 94.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 24.4 Ų | 24.4 | 54% | 0.535 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -55.5 | -29.1 | 177.8 | -174.4 | 174.8 | 178.9 | 176.4 | 0 | 113.7 | S102 S103 Q104 | K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.69Å; K100-S103 PolarHBondContact O-N 3.34Å; K100-S103 PolarHBondContact O-OG 3.41Å; K100-Q104 PolarHBondContact O-N 2.98Å |
| 101 | K | 92.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 25.8 Ų | 25.8 | 39% | 0.391 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.9 | -36 | 178.5 | -174.4 | 56.7 | 177 | 174.2 | 0 | 111.6 | N99 S103 Q104 N105 | N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 VanDerWaalsContact O-N 3.1Å; N99-K101 WeakPolarHBondContact OD1-CB 3.48Å; N99-K101 PolarHBondContact OD1-N 3.4Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.28Å; K101-Q104 WeakPolarHBondContact O-CB 3.05Å; K101-Q104 PolarHBondContact O-N 3.19Å; K101-Q104 VanDerWaalsContact O-N 3.16Å; K101-N105 PolarHBondContact O-N 2.83Å |
| 102 | S | 95 | Very high | 93 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | D96 N99 K100 N105 | D96-S102 PolarHBondContact N-OG 2.9Å; D96-S102 PolarHBondContact O-OG 3.19Å; N99-S102 WeakPolarHBondContact O-CB 3.47Å; N99-S102 PolarHBondContact O-N 3.33Å; N99-S102 PolarHBondContact O-OG 3Å; N99-S102 PolarHBondContact OD1-N 2.64Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.69Å; S102-N105 PolarHBondContact O-N 3.4Å |
| 103 | S | 94.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 174.4 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | K100 K101 N105 L106 R163 | K100-S103 PolarHBondContact O-N 3.34Å; K100-S103 PolarHBondContact O-OG 3.41Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.28Å; S103-N105 VanDerWaalsContact C-N 3.28Å; S103-N105 PolarHBondContact O-N 3.45Å; S103-L106 WeakPolarHBondContact O-CB 3.44Å; S103-L106 WeakPolarHBondContact O-CG 3.29Å; S103-L106 PolarHBondContact O-N 3.48Å; S103-R163 PolarHBondContact OG-NH1 3.36Å |
| 104 | Q | 90.8 | Very high | 91.6 | Very high | 77 Ų | 77 | 28.4 Ų | 28.4 | 36% | 0.36 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67.9 | -31.4 | 175.9 | -68.1 | 173.1 | -17.5 | 0 | 0 | 112 | K100 K101 L106 Y107 | K100-Q104 PolarHBondContact O-N 2.98Å; K101-Q104 WeakPolarHBondContact O-CB 3.05Å; K101-Q104 PolarHBondContact O-N 3.19Å; K101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-L106 PolarHBondContact O-N 3.49Å; Q104-Y107 WeakPolarHBondContact O-CD2 3.32Å |
| 105 | N | 91.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.3 | -13.3 | 178.6 | -72.4 | -20.8 | 0 | 0 | 0 | 112.7 | D14 V71 K101 S102 S103 Y107 R108 W109 | D14-N105 PolarHBondContact OD2-ND2 3.09Å; V71-N105 HydrophobicContact CG2-CB 3.84Å; K101-N105 PolarHBondContact O-N 2.83Å; S102-N105 PolarHBondContact O-N 3.4Å; S103-N105 VanDerWaalsContact C-N 3.28Å; S103-N105 PolarHBondContact O-N 3.45Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 2.87Å; N105-R108 WeakPolarHBondContact O-CB 3.34Å; N105-R108 PolarHBondContact O-N 3.29Å; N105-R108 VanDerWaalsContact O-N 3.11Å; N105-W109 VanDerWaalsContact O-CD1 3.31Å; N105-W109 PolarHBondContact O-N 2.96Å |
| 106 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -33.8 | 177.9 | -64 | -174.9 | 0 | 0 | 0 | 113.3 | L93 V94 H95 S103 Q104 R108 W109 S110 L144 L167 F171 | L93-L106 HydrophobicContact CB-CD1 4.11Å; L93-L106 HydrophobicContact CB-CD2 4.13Å; V94-L106 WeakPolarHBondContact O-CD2 3.33Å; H95-L106 HydrophobicContact CB-CD1 3.98Å; H95-L106 HydrophobicContact CB-CD2 4.38Å; H95-L106 HydrophobicContact CB-CG 4.29Å; S103-L106 WeakPolarHBondContact O-CB 3.44Å; S103-L106 WeakPolarHBondContact O-CG 3.29Å; S103-L106 PolarHBondContact O-N 3.48Å; Q104-L106 PolarHBondContact O-N 3.49Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.97Å; L106-W109 PolarHBondContact O-N 3.48Å; L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.44Å; L106-L144 HydrophobicContact CD1-CD1 3.34Å; L106-L167 HydrophobicContact CD1-CD2 4.08Å; L106-F171 HydrophobicContact CB-CE2 3.96Å; L106-F171 HydrophobicContact CB-CZ 3.85Å; L106-F171 HydrophobicContact CD1-CE2 4.42Å |
| 107 | Y | 88.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 175 | -60.5 | -76.9 | 0 | 0 | 0 | 111.2 | Q104 N105 S110 M111 Y130 L167 D170 F171 | Q104-Y107 WeakPolarHBondContact O-CD2 3.32Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 2.87Å; Y107-S110 PolarHBondContact O-OG 2.93Å; Y107-M111 WeakPolarHBondContact O-CB 3.5Å; Y107-M111 WeakPolarHBondContact O-CE 3.14Å; Y107-M111 VanDerWaalsContact O-CG 3.22Å; Y107-M111 WeakPolarHBondContact O-CG 3.32Å; Y107-M111 PolarHBondContact O-N 2.8Å; Y107-Y130 HydrophobicContact CD1-CD1 4.27Å; Y107-Y130 AromaticContact CD1-CD2 3.4Å; Y107-Y130 HydrophobicContact CD1-CD2 3.4Å; Y107-Y130 VanDerWaalsContact CD1-CD2 3.4Å; Y107-Y130 AromaticContact CD1-CE2 3.82Å; Y107-Y130 HydrophobicContact CD1-CE2 3.82Å; Y107-Y130 AromaticContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CE1-CD1 4.19Å; Y107-Y130 HydrophobicContact CE1-CD2 4.14Å; Y107-Y130 AromaticContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CG-CD2 4.31Å; Y107-L167 HydrophobicContact CE1-CD1 4.33Å; Y107-L167 HydrophobicContact CE2-CD1 3.88Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.2Å; Y107-F171 AromaticContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CE1-CE1 4.36Å; Y107-F171 HydrophobicContact CE1-CE2 4.34Å; Y107-F171 AromaticContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CG-CZ 4.03Å |
| 108 | R | 85.6 | Confident | 83.9 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.177 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69 | -43 | 175.8 | -66.2 | 176.2 | 175.4 | 173.7 | -4.5 | 111.4 | V71 N105 L106 S110 M111 E112 V123 V125 | V71-R108 HydrophobicContact CB-CB 4.48Å; V71-R108 HydrophobicContact CG1-CB 4.19Å; N105-R108 WeakPolarHBondContact O-CB 3.34Å; N105-R108 PolarHBondContact O-N 3.29Å; N105-R108 VanDerWaalsContact O-N 3.11Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.97Å; R108-S110 VanDerWaalsContact C-N 3.34Å; R108-S110 PolarHBondContact O-N 2.88Å; R108-M111 HydrophobicContact CG-CE 4.49Å; R108-M111 PolarHBondContact O-N 3.39Å; R108-E112 VanDerWaalsContact O-CB 3.25Å; R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.22Å; R108-V123 PolarHBondContact NE-O 3.06Å; R108-V123 PolarHBondContact NH2-O 3.22Å; R108-V125 HydrophobicContact CG-CG2 3.77Å |
| 109 | W | 89.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.3 | -80.6 | 113.9 | 0 | 0 | 0 | 112.4 | L12 G13 D14 V71 Y85 L93 N105 L106 A113 | L12-W109 HydrophobicContact CB-CB 4.26Å; L12-W109 HydrophobicContact CB-CD2 4.32Å; L12-W109 HydrophobicContact CB-CE3 4.11Å; L12-W109 HydrophobicContact CB-CG 4.42Å; L12-W109 HydrophobicContact CD2-CE3 4.23Å; L12-W109 HydrophobicContact CD2-CZ3 4.36Å; G13-W109 VanDerWaalsContact O-CZ2 3.28Å; G13-W109 WeakPolarHBondContact O-CZ2 3.28Å; D14-W109 PolarHBondContact OD1-NE1 2.77Å; V71-W109 HydrophobicContact CG1-CD2 3.72Å; V71-W109 HydrophobicContact CG1-CG 3.82Å; V71-W109 HydrophobicContact CG1-CZ2 3.92Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.37Å; L93-W109 HydrophobicContact CD2-CB 4.4Å; N105-W109 VanDerWaalsContact O-CD1 3.31Å; N105-W109 PolarHBondContact O-N 2.96Å; L106-W109 PolarHBondContact O-N 3.48Å; W109-A113 WeakPolarHBondContact O-CB 3.35Å; W109-A113 PolarHBondContact O-N 3.07Å; W109-A113 VanDerWaalsContact O-N 3.1Å |
| 110 | S | 87.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.8 | -43.7 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | L106 Y107 R108 E112 A113 L114 F171 | L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.44Å; Y107-S110 PolarHBondContact O-OG 2.93Å; R108-S110 VanDerWaalsContact C-N 3.34Å; R108-S110 PolarHBondContact O-N 2.88Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.77Å; S110-A113 PolarHBondContact O-N 3.32Å; S110-L114 WeakPolarHBondContact O-CB 3.36Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.46Å; S110-L114 PolarHBondContact O-N 2.95Å; S110-L114 VanDerWaalsContact O-N 3.08Å; S110-F171 WeakPolarHBondContact OG-CE1 3.44Å |
| 111 | M | 84 | Confident | 75.8 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.3 | -71.7 | -173.4 | -56.2 | 0 | 0 | 112 | Y107 R108 L114 N115 K116 V125 | Y107-M111 WeakPolarHBondContact O-CB 3.5Å; Y107-M111 WeakPolarHBondContact O-CE 3.14Å; Y107-M111 VanDerWaalsContact O-CG 3.22Å; Y107-M111 WeakPolarHBondContact O-CG 3.32Å; Y107-M111 PolarHBondContact O-N 2.8Å; R108-M111 HydrophobicContact CG-CE 4.49Å; R108-M111 PolarHBondContact O-N 3.39Å; M111-L114 PolarHBondContact O-N 3.36Å; M111-N115 PolarHBondContact O-N 2.98Å; M111-K116 HydrophobicContact CB-CB 4.44Å; M111-K116 PolarHBondContact O-N 3.38Å; M111-V125 HydrophobicContact CE-CB 4.49Å; M111-V125 HydrophobicContact CE-CG1 4.17Å; M111-V125 HydrophobicContact CE-CG2 3.58Å |
| 112 | E | 84 | Confident | 73.3 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 177.8 | -162.9 | -170.3 | 100.7 | 0 | 0 | 111.7 | R81 Y85 R108 S110 L114 N115 | R81-E112 IonicContact CZ-OE1 3.78Å; R81-E112 IonicContact CZ-OE2 2.72Å; R81-E112 IonicContact NE-OE1 2.56Å; R81-E112 PolarHBondContact NE-OE1 3.27Å; R81-E112 IonicContact NH2-OE1 2.71Å; R81-E112 PolarHBondContact NH2-OE1 3.07Å; R81-E112 IonicContact NH2-OE2 3.18Å; R81-E112 PolarHBondContact NH2-OE2 2.76Å; Y85-E112 HydrophobicContact CE2-CB 4.42Å; Y85-E112 HydrophobicContact CE2-CG 3.84Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.39Å; Y85-E112 PolarHBondContact OH-OE1 3.46Å; R108-E112 VanDerWaalsContact O-CB 3.25Å; R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.22Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.77Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.92Å; E112-N115 PolarHBondContact O-N 3.08Å |
| 113 | A | 85.4 | Confident | 70.5 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.5 | -28.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L10 L12 Y85 I91 W109 S110 N115 | L10-A113 HydrophobicContact CD1-CB 4.17Å; L12-A113 HydrophobicContact CD1-CB 3.47Å; L12-A113 VanDerWaalsContact CD1-CB 3.47Å; Y85-A113 HydrophobicContact CD1-CB 4.42Å; Y85-A113 HydrophobicContact CD2-CB 4.47Å; Y85-A113 HydrophobicContact CE1-CB 4.48Å; Y85-A113 HydrophobicContact CG-CB 4.39Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; W109-A113 WeakPolarHBondContact O-CB 3.35Å; W109-A113 PolarHBondContact O-N 3.07Å; W109-A113 VanDerWaalsContact O-N 3.1Å; S110-A113 PolarHBondContact O-N 3.32Å; A113-N115 VanDerWaalsContact C-N 3.33Å |
| 114 | L | 82.4 | Confident | 68 | Low | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 10.9 | -179.6 | -62.8 | 169.2 | 0 | 0 | 0 | 112.5 | I91 S110 M111 E112 K116 F135 V140 | I91-L114 HydrophobicContact CD1-CD2 3.92Å; I91-L114 HydrophobicContact CD1-CG 4.11Å; S110-L114 WeakPolarHBondContact O-CB 3.36Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.46Å; S110-L114 PolarHBondContact O-N 2.95Å; S110-L114 VanDerWaalsContact O-N 3.08Å; M111-L114 PolarHBondContact O-N 3.36Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.92Å; L114-K116 HydrophobicContact CB-CD 4.46Å; L114-K116 HydrophobicContact CB-CG 4.25Å; L114-K116 PolarHBondContact O-N 3.22Å; L114-F135 HydrophobicContact CD1-CD1 4.05Å; L114-F135 HydrophobicContact CD1-CE1 3.44Å; L114-F135 VanDerWaalsContact CD1-CE1 3.44Å; L114-V140 HydrophobicContact CD2-CB 4.05Å; L114-V140 HydrophobicContact CD2-CG2 3.8Å |
| 115 | N | 70.4 | Confident | 65.9 | Low | 118 Ų | 118 | 51.1 Ų | 51.1 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.5 | -179.7 | -65.9 | -42.9 | 0 | 0 | 0 | 113.5 | M111 E112 A113 | M111-N115 PolarHBondContact O-N 2.98Å; E112-N115 PolarHBondContact O-N 3.08Å; A113-N115 VanDerWaalsContact C-N 3.33Å |
| 116 | K | 61.5 | Low | 63.6 | Low | 59 Ų | 59 | 53.7 Ų | 53.7 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | trans | -95.4 | -2.3 | 176.9 | -61.9 | -174.2 | 176.7 | 179.1 | 0 | 113.3 | M111 L114 S118 Q134 F135 | M111-K116 HydrophobicContact CB-CB 4.44Å; M111-K116 PolarHBondContact O-N 3.38Å; L114-K116 HydrophobicContact CB-CD 4.46Å; L114-K116 HydrophobicContact CB-CG 4.25Å; L114-K116 PolarHBondContact O-N 3.22Å; K116-S118 VanDerWaalsContact C-N 3.32Å; K116-S118 PolarHBondContact O-N 3.3Å; K116-Q134 VanDerWaalsContact NZ-C 3.34Å; K116-Q134 PolarHBondContact NZ-O 2.84Å; K116-F135 HydrophobicContact CD-CE1 4.3Å; K116-F135 HydrophobicContact CD-CZ 3.99Å; K116-F135 VanDerWaalsContact NZ-CD1 3.32Å; K116-F135 VanDerWaalsContact NZ-CE1 3.27Å; K116-F135 VanDerWaalsContact NZ-CZ 3.34Å | ||
| 117 | D | 54.2 | Low | 61.6 | Low | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | trans | -72.8 | 82 | 171 | -100.8 | 9.1 | 0 | 0 | 0 | 109.7 | K78 S119 | K78-D117 IonicContact NZ-OD2 2.85Å; K78-D117 PolarHBondContact NZ-OD2 2.83Å; D117-S119 VanDerWaalsContact C-N 3.28Å | ||
| 118 | S | 44.4 | Very low | 59.3 | Low | 123 Ų | 123 | 61.9 Ų | 61.9 | 86% | 0.86 | 39% | 0.389 | S | S | * | . | trans | -81.6 | -2.7 | 171.5 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | K116 | K116-S118 VanDerWaalsContact C-N 3.32Å; K116-S118 PolarHBondContact O-N 3.3Å | ||
| 119 | S | 39.7 | Very low | 57.7 | Low | 59 Ų | 59 | 64.4 Ų | 64.4 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | trans | -137 | 124.6 | 173 | 77.2 | 0 | 0 | 0 | 0 | 113.3 | D117 T121 | D117-S119 VanDerWaalsContact C-N 3.28Å; S119-T121 PolarHBondContact O-N 3.34Å; S119-T121 VanDerWaalsContact O-N 3.1Å | ||
| 120 | P | 40.4 | Very low | 56.3 | Low | 113 Ų | 113 | 65.3 Ų | 65.3 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | trans | -86.7 | 66.5 | 173 | 36.2 | -31.6 | 0 | 0 | 0 | 108.8 | ||||
| 121 | T | 36.6 | Very low | 55 | Low | 99 Ų | 99 | 68.3 Ų | 68.3 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -135.1 | 138.2 | 175.6 | 11.3 | 0 | 0 | 0 | 0 | 108.9 | S119 V123 | S119-T121 PolarHBondContact O-N 3.34Å; S119-T121 VanDerWaalsContact O-N 3.1Å; T121-V123 PolarHBondContact O-N 2.93Å |
| 122 | G | 40.5 | Very low | 53.8 | Low | 79 Ų | 79 | 74.1 Ų | 74.1 | 81% | 0.814 | 45% | 0.446 | S | S | * | . | trans | -65.7 | 57.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I124 | G122-I124 PolarHBondContact O-N 3.11Š| ||
| 123 | V | 36.7 | Very low | 52.6 | Low | 64 Ų | 64 | 81 Ų | 81 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | trans | -67.1 | 114.5 | 171 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | R108 T121 V125 | R108-V123 PolarHBondContact NE-O 3.06Å; R108-V123 PolarHBondContact NH2-O 3.22Å; T121-V123 PolarHBondContact O-N 2.93Å; V123-V125 PolarHBondContact O-N 3.36Å | ||
| 124 | I | 41.3 | Very low | 51.2 | Low | 128 Ų | 128 | 86.3 Ų | 86.3 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | trans | -56.8 | 98.9 | 156.4 | -61.8 | 171.7 | 0 | 0 | 0 | 103.8 | G122 S126 | G122-I124 PolarHBondContact O-N 3.11Å; I124-S126 PolarHBondContact O-N 3.37Å | ||
| 125 | V | 47.8 | Very low | 49.9 | Very low | 21 Ų | 21 | 85.8 Ų | 85.8 | 13% | 0.127 | 50% | 0.499 | C | S | . | . | trans | -64.6 | 95.2 | 173 | -173.9 | 0 | 0 | 0 | 0 | 103.9 | R108 M111 V123 D129 | R108-V125 HydrophobicContact CG-CG2 3.77Å; M111-V125 HydrophobicContact CE-CB 4.49Å; M111-V125 HydrophobicContact CE-CG1 4.17Å; M111-V125 HydrophobicContact CE-CG2 3.58Å; V123-V125 PolarHBondContact O-N 3.36Å; V125-D129 HydrophobicContact CG1-CB 4.38Å | ||
| 126 | S | 43.4 | Very low | 49.2 | Very low | 65 Ų | 65 | 85.6 Ų | 85.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | trans | -71.2 | 155.7 | 165.5 | 72.3 | 0 | 0 | 0 | 0 | 106.6 | I124 G128 D129 | I124-S126 PolarHBondContact O-N 3.37Å; S126-G128 PolarHBondContact O-N 3.38Å; S126-D129 PolarHBondContact O-N 2.83Å; S126-D129 VanDerWaalsContact O-N 3.13Å | ||
| 127 | N | 48.6 | Very low | 48.7 | Very low | 113 Ų | 113 | 91.4 Ų | 91.4 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -11.4 | 178 | -75 | 35.6 | 0 | 0 | 0 | 114.2 | ||
| 128 | G | 42.2 | Very low | 48.8 | Very low | 68 Ų | 68 | 95 Ų | 95 | 70% | 0.701 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -15.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117 | S126 | S126-G128 PolarHBondContact O-N 3.38Š|
| 129 | D | 52.1 | Low | 50.3 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -97.8 | -2.3 | 179.8 | -66.3 | -39.2 | 0 | 0 | 0 | 113 | V125 S126 D131 | V125-D129 HydrophobicContact CG1-CB 4.38Å; S126-D129 PolarHBondContact O-N 2.83Å; S126-D129 VanDerWaalsContact O-N 3.13Å; D129-D131 PolarHBondContact O-N 2.96Å |
| 130 | Y | 59 | Low | 52.7 | Low | 18 Ų | 18 | 89.6 Ų | 89.6 | 7% | 0.071 | 51% | 0.513 | C | S | . | . | trans | -84.9 | 98 | 175.9 | -171.7 | -96.5 | 0 | 0 | 0 | 109.8 | Y107 R132 F135 D170 F171 | Y107-Y130 HydrophobicContact CD1-CD1 4.27Å; Y107-Y130 AromaticContact CD1-CD2 3.4Å; Y107-Y130 HydrophobicContact CD1-CD2 3.4Å; Y107-Y130 VanDerWaalsContact CD1-CD2 3.4Å; Y107-Y130 AromaticContact CD1-CE2 3.82Å; Y107-Y130 HydrophobicContact CD1-CE2 3.82Å; Y107-Y130 AromaticContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CE1-CD1 4.19Å; Y107-Y130 HydrophobicContact CE1-CD2 4.14Å; Y107-Y130 AromaticContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CG-CD2 4.31Å; Y130-R132 HydrophobicContact CD1-CG 4.28Å; Y130-R132 HydrophobicContact CE1-CG 4.46Å; Y130-R132 PolarHBondContact O-N 2.87Å; Y130-R132 VanDerWaalsContact O-N 3.16Å; Y130-F135 HydrophobicContact CD2-CE2 4.38Å; Y130-F135 HydrophobicContact CE1-CD2 4.37Å; Y130-F135 HydrophobicContact CE1-CE2 4.11Å; Y130-F135 AromaticContact CE2-CE2 3.64Å; Y130-F135 HydrophobicContact CE2-CE2 3.64Å; Y130-F135 AromaticContact CE2-CZ 3.65Å; Y130-F135 HydrophobicContact CE2-CZ 3.65Å; Y130-F135 AromaticContact CZ-CE2 3.49Å; Y130-F135 VanDerWaalsContact CZ-CE2 3.49Å; Y130-F135 AromaticContact CZ-CZ 3.75Å; Y130-F135 WeakPolarHBondContact OH-CE2 3.34Å; Y130-F135 WeakPolarHBondContact OH-CZ 3.26Å; Y130-D170 VanDerWaalsContact CE1-O 3.22Å; Y130-D170 WeakPolarHBondContact CE1-O 3.35Å; Y130-F171 HydrophobicContact CE2-CD1 4.36Å; Y130-F171 AromaticContact CE2-CE1 3.91Å; Y130-F171 HydrophobicContact CE2-CE1 3.91Å; Y130-F171 AromaticContact CZ-CD1 3.89Å; Y130-F171 AromaticContact CZ-CE1 3.9Å; Y130-F171 VanDerWaalsContact OH-CD1 3.26Å; Y130-F171 WeakPolarHBondContact OH-CD1 3.17Å | ||
| 131 | D | 61.3 | Low | 55.3 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 34% | 0.342 | 48% | 0.48 | S | S | . | . | trans | -74.9 | 103 | 178.5 | -172.7 | -10 | 0 | 0 | 0 | 110.6 | D129 E133 Q134 F135 | D129-D131 PolarHBondContact O-N 2.96Å; D131-E133 PolarHBondContact O-N 2.97Å; D131-E133 WeakPolarHBondContact OD1-CB 3.49Å; D131-E133 PolarHBondContact OD1-N 3.19Å; D131-Q134 HydrophobicContact CB-CB 4.33Å; D131-Q134 HydrophobicContact CB-CG 3.95Å; D131-Q134 PolarHBondContact O-N 2.73Å; D131-Q134 VanDerWaalsContact OD2-CG 3.32Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.49Å; D131-Q134 PolarHBondContact OD2-NE2 3.4Å; D131-F135 VanDerWaalsContact O-CD2 3.29Å; D131-F135 WeakPolarHBondContact O-CD2 3.47Å; D131-F135 WeakPolarHBondContact O-CE2 3.47Å | ||
| 132 | R | 58.6 | Low | 58.1 | Low | 149 Ų | 149 | 80.7 Ų | 80.7 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -60.8 | -28.2 | 178.3 | -69.1 | -178.5 | 177.5 | -178.9 | -1.8 | 112.3 | Y130 D170 | Y130-R132 HydrophobicContact CD1-CG 4.28Å; Y130-R132 HydrophobicContact CE1-CG 4.46Å; Y130-R132 PolarHBondContact O-N 2.87Å; Y130-R132 VanDerWaalsContact O-N 3.16Å; R132-D170 IonicContact CZ-OD1 3.61Å; R132-D170 VanDerWaalsContact CZ-OD1 3.32Å; R132-D170 IonicContact NE-OD1 2.7Å; R132-D170 PolarHBondContact NE-OD1 3.43Å; R132-D170 IonicContact NH2-OD1 3.32Å; R132-D170 PolarHBondContact NH2-OD1 3.14Å |
| 133 | E | 57.7 | Low | 60.8 | Low | 160 Ų | 160 | 77 Ų | 77 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -76.4 | -26.9 | -176.1 | -61 | -176.2 | 174.8 | 0 | 0 | 112.1 | D131 F135 V136 | D131-E133 PolarHBondContact O-N 2.97Å; D131-E133 WeakPolarHBondContact OD1-CB 3.49Å; D131-E133 PolarHBondContact OD1-N 3.19Å; E133-F135 PolarHBondContact O-N 3.01Å; E133-V136 PolarHBondContact O-N 3.3Å |
| 134 | Q | 56.8 | Low | 63.7 | Low | 112 Ų | 112 | 73.9 Ų | 73.9 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.5 | -7.9 | 176.5 | -77.3 | 175.4 | 27.3 | 0 | 0 | 114.2 | K116 D131 | K116-Q134 VanDerWaalsContact NZ-C 3.34Å; K116-Q134 PolarHBondContact NZ-O 2.84Å; D131-Q134 HydrophobicContact CB-CB 4.33Å; D131-Q134 HydrophobicContact CB-CG 3.95Å; D131-Q134 PolarHBondContact O-N 2.73Å; D131-Q134 VanDerWaalsContact OD2-CG 3.32Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.49Å; D131-Q134 PolarHBondContact OD2-NE2 3.4Å |
| 135 | F | 54.3 | Low | 66.5 | Low | 30 Ų | 30 | 67.8 Ų | 67.8 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -110.2 | 5.7 | -179 | -62 | -96.1 | 0 | 0 | 0 | 113.3 | L114 K116 Y130 D131 E133 A139 | L114-F135 HydrophobicContact CD1-CD1 4.05Å; L114-F135 HydrophobicContact CD1-CE1 3.44Å; L114-F135 VanDerWaalsContact CD1-CE1 3.44Å; K116-F135 HydrophobicContact CD-CE1 4.3Å; K116-F135 HydrophobicContact CD-CZ 3.99Å; K116-F135 VanDerWaalsContact NZ-CD1 3.32Å; K116-F135 VanDerWaalsContact NZ-CE1 3.27Å; K116-F135 VanDerWaalsContact NZ-CZ 3.34Å; Y130-F135 HydrophobicContact CD2-CE2 4.38Å; Y130-F135 HydrophobicContact CE1-CD2 4.37Å; Y130-F135 HydrophobicContact CE1-CE2 4.11Å; Y130-F135 AromaticContact CE2-CE2 3.64Å; Y130-F135 HydrophobicContact CE2-CE2 3.64Å; Y130-F135 AromaticContact CE2-CZ 3.65Å; Y130-F135 HydrophobicContact CE2-CZ 3.65Å; Y130-F135 AromaticContact CZ-CE2 3.49Å; Y130-F135 VanDerWaalsContact CZ-CE2 3.49Å; Y130-F135 AromaticContact CZ-CZ 3.75Å; Y130-F135 WeakPolarHBondContact OH-CE2 3.34Å; Y130-F135 WeakPolarHBondContact OH-CZ 3.26Å; D131-F135 VanDerWaalsContact O-CD2 3.29Å; D131-F135 WeakPolarHBondContact O-CD2 3.47Å; D131-F135 WeakPolarHBondContact O-CE2 3.47Å; E133-F135 PolarHBondContact O-N 3.01Å; F135-A139 HydrophobicContact CB-CB 4.28Å; F135-A139 WeakPolarHBondContact O-CB 3.22Å |
| 136 | V | 56 | Low | 68.9 | Low | 113 Ų | 113 | 66.8 Ų | 66.8 | 69% | 0.685 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -28.2 | -170.2 | -179.8 | 0 | 0 | 0 | 0 | 113 | E133 | E133-V136 PolarHBondContact O-N 3.3Š|
| 137 | E | 50.7 | Low | 71.5 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 85% | 0.85 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 107.5 | 175.6 | -74.2 | -171.9 | 156.9 | 0 | 0 | 111.1 | A139 | E137-A139 PolarHBondContact O-N 3.29Š|
| 138 | N | 55.8 | Low | 73.9 | Confident | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 33.5 | 173.8 | -66.8 | -35.5 | 0 | 0 | 0 | 117.4 | V140 K206 | N138-V140 PolarHBondContact O-N 2.98Å; N138-K206 PolarHBondContact O-NZ 3.48Å |
| 139 | A | 77 | Confident | 76.5 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | trans | -59.9 | 127.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F135 E137 K206 | F135-A139 HydrophobicContact CB-CB 4.28Å; F135-A139 WeakPolarHBondContact O-CB 3.22Å; E137-A139 PolarHBondContact O-N 3.29Å; A139-K206 PolarHBondContact O-NZ 3.16Å | ||
| 140 | V | 89.5 | Confident | 78.7 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | trans | -45.3 | 128.2 | 165.4 | 175.7 | 0 | 0 | 0 | 0 | 109 | V88 I91 L114 N138 L142 | V88-V140 HydrophobicContact CG1-CG1 4.47Å; V88-V140 HydrophobicContact CG1-CG2 4.15Å; V88-V140 HydrophobicContact CG2-CG1 4.17Å; I91-V140 HydrophobicContact CD1-CG1 4.15Å; I91-V140 HydrophobicContact CG1-CG1 3.92Å; L114-V140 HydrophobicContact CD2-CB 4.05Å; L114-V140 HydrophobicContact CD2-CG2 3.8Å; N138-V140 PolarHBondContact O-N 2.98Å; V140-L142 PolarHBondContact O-N 3.29Å | ||
| 141 | P | 95 | Very high | 80.5 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | trans | -59.1 | 135.3 | -178.8 | -22.8 | 36.7 | 0 | 0 | 0 | 110.5 | N89 G90 I91 F199 K202 V203 K206 | N89-P141 WeakPolarHBondContact O-CD 3.33Å; G90-P141 WeakPolarHBondContact CA-O 3.41Å; I91-P141 PolarHBondContact N-O 3.19Å; P141-F199 HydrophobicContact CB-CD2 4.44Å; P141-F199 HydrophobicContact CB-CE2 4.09Å; P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.24Å; P141-K202 HydrophobicContact CG-CG 4.14Å; P141-V203 HydrophobicContact CB-CG2 3.89Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; P141-K206 HydrophobicContact CG-CD 4.05Å | ||
| 142 | L | 95.3 | Very high | 82.3 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143 | -179.7 | -58.6 | -175.5 | 0 | 0 | 0 | 110.5 | I91 V140 F171 A173 | I91-L142 HydrophobicContact CB-CD2 3.61Å; I91-L142 HydrophobicContact CD1-CD2 4.04Å; I91-L142 HydrophobicContact CG1-CD2 4.23Å; I91-L142 HydrophobicContact CG2-CD2 4.27Å; I91-L142 CarbonylContact O-C 3.59Å; I91-L142 WeakPolarHBondContact O-CA 3.31Å; V140-L142 PolarHBondContact O-N 3.29Å; L142-F171 HydrophobicContact CD1-CB 4.08Å; L142-F171 HydrophobicContact CD1-CD1 4.1Å; L142-F171 HydrophobicContact CD1-CG 4.46Å; L142-A173 HydrophobicContact CB-CB 3.81Å |
| 143 | L | 98.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.4 | 168.1 | 179.2 | 68.1 | 0 | 0 | 0 | 108.7 | I91 I92 L93 I145 E174 I176 L196 F199 | I91-L143 PolarHBondContact O-N 3.36Å; I92-L143 CarbonylContact C-O 3.6Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.37Å; I92-L143 HydrophobicContact CG1-CB 4.27Å; I92-L143 HydrophobicContact CG1-CD2 4.25Å; L93-L143 PolarHBondContact N-O 2.89Å; L143-I145 HydrophobicContact CD2-CD1 3.82Å; L143-I145 HydrophobicContact CD2-CG1 4.16Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.08Å; L143-E174 HydrophobicContact CD1-CB 4.03Å; L143-E174 WeakPolarHBondContact CD1-O 3.13Å; L143-I176 HydrophobicContact CD1-CD1 4.25Å; L143-I176 HydrophobicContact CD1-CG1 4.35Å; L143-I176 HydrophobicContact CD2-CD1 4.48Å; L143-L196 HydrophobicContact CD2-CD1 3.81Å; L143-F199 HydrophobicContact CB-CD1 4.18Å; L143-F199 HydrophobicContact CB-CD2 3.61Å; L143-F199 HydrophobicContact CB-CE1 4.26Å; L143-F199 HydrophobicContact CB-CE2 3.69Å; L143-F199 HydrophobicContact CB-CG 3.85Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD1-CB 4.47Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.9Å; L143-F199 HydrophobicContact CD2-CE1 4.39Å; L143-F199 HydrophobicContact CD2-CG 4.02Å; L143-F199 HydrophobicContact CG-CG 4.39Å |
| 144 | L | 98.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.5 | 175.8 | -174.7 | 66.9 | 0 | 0 | 0 | 109.7 | L93 L106 L167 E174 E175 I176 | L93-L144 HydrophobicContact CB-CD1 4.13Å; L106-L144 HydrophobicContact CD1-CD1 3.34Å; L144-L167 HydrophobicContact CD1-CD2 4.28Å; L144-L167 HydrophobicContact CD2-CB 4.14Å; L144-L167 HydrophobicContact CD2-CD2 4.07Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; L144-E174 PolarHBondContact N-O 2.7Å; L144-E175 HydrophobicContact CD2-CG 4.22Å; L144-E175 HydrophobicContact CG-CG 4.49Å; L144-E175 WeakPolarHBondContact O-CA 3.42Å; L144-I176 PolarHBondContact O-N 3.21Å |
| 145 | I | 98.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.7 | 176.8 | -61.7 | -171.3 | 0 | 0 | 0 | 110.8 | L22 I92 L93 V94 H95 L143 T147 I176 L178 | L22-I145 HydrophobicContact CD1-CD1 4.08Å; L22-I145 HydrophobicContact CD1-CG2 4.07Å; L22-I145 HydrophobicContact CD2-CB 4.17Å; L22-I145 HydrophobicContact CD2-CD1 3.85Å; L22-I145 HydrophobicContact CD2-CG2 3.83Å; L22-I145 HydrophobicContact CG-CD1 4.46Å; I92-I145 HydrophobicContact CG2-CB 4.4Å; I92-I145 HydrophobicContact CG2-CD1 3.7Å; I92-I145 HydrophobicContact CG2-CG1 3.92Å; L93-I145 PolarHBondContact O-N 3.37Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; H95-I145 PolarHBondContact N-O 3.44Å; L143-I145 HydrophobicContact CD2-CD1 3.82Å; L143-I145 HydrophobicContact CD2-CG1 4.16Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.08Å; I145-T147 HydrophobicContact CG2-CG2 4.22Å; I145-I176 CarbonylContact C-O 3.42Å; I145-I176 VanDerWaalsContact CA-O 3.29Å; I145-I176 WeakPolarHBondContact CA-O 3.22Å; I145-I176 HydrophobicContact CG1-CB 4.42Å; I145-L178 HydrophobicContact CG2-CD2 4.05Å; I145-L178 HydrophobicContact CG2-CG 4.22Å |
| 146 | G | 98.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I176 N177 L178 | G146-I176 PolarHBondContact N-O 3.07Å; G146-N177 WeakPolarHBondContact CA-OD1 3.46Å; G146-N177 CarbonylContact O-C 3.56Å; G146-N177 WeakPolarHBondContact O-CA 3.3Å; G146-L178 PolarHBondContact O-N 2.99Å |
| 147 | T | 98.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 169.9 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 112 | V17 V94 H95 L97 I145 F149 L178 | V17-T147 WeakPolarHBondContact O-CB 3.36Å; V17-T147 WeakPolarHBondContact O-CG2 3.41Å; V17-T147 PolarHBondContact O-OG1 3.04Å; V94-T147 HydrophobicContact CG1-CG2 3.61Å; H95-T147 PolarHBondContact O-N 3.34Å; H95-T147 PolarHBondContact O-OG1 3Å; L97-T147 VanDerWaalsContact CB-O 3.27Å; L97-T147 WeakPolarHBondContact CB-O 3.36Å; L97-T147 WeakPolarHBondContact CD1-O 3.4Å; L97-T147 VanDerWaalsContact CG-O 3.28Å; L97-T147 WeakPolarHBondContact CG-O 3.47Å; L97-T147 PolarHBondContact N-O 3.38Å; I145-T147 HydrophobicContact CG2-CG2 4.22Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.72Å; T147-L178 CarbonylContact C-O 3.47Å; T147-L178 WeakPolarHBondContact CA-O 3.27Å |
| 148 | K | 97.9 | Very high | 93.9 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | trans | 61.2 | 34.6 | 178.5 | -49.3 | -172.3 | -165.6 | 167.8 | 0 | 112.7 | G16 D96 T98 D150 Q151 L178 | G16-K148 PolarHBondContact O-NZ 3.14Å; D96-K148 WeakPolarHBondContact OD2-CD 3.43Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.32Å; D96-K148 IonicContact OD2-NZ 2.84Å; D96-K148 PolarHBondContact OD2-NZ 2.72Å; T98-K148 HydrophobicContact CG2-CB 4.24Å; K148-D150 VanDerWaalsContact CA-OD1 3.28Å; K148-D150 WeakPolarHBondContact CA-OD1 3.36Å; K148-D150 PolarHBondContact O-N 3.47Å; K148-Q151 HydrophobicContact CB-CB 4.39Å; K148-Q151 HydrophobicContact CB-CG 4.13Å; K148-Q151 WeakPolarHBondContact O-CB 3.39Å; K148-Q151 PolarHBondContact O-N 2.83Å; K148-L178 PolarHBondContact N-O 3.47Å; K148-L178 VanDerWaalsContact N-O 3.13Å | ||
| 149 | F | 97.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.7 | -31.4 | 179.6 | -176 | -109.1 | 0 | 0 | 0 | 112.5 | L97 T147 Q151 I152 L161 N177 L178 | L97-F149 HydrophobicContact CD1-CB 3.75Å; L97-F149 HydrophobicContact CD1-CD2 3.82Å; L97-F149 HydrophobicContact CD1-CG 4.28Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.72Å; F149-Q151 PolarHBondContact O-N 2.92Å; F149-I152 HydrophobicContact CD2-CG1 4.48Å; F149-I152 PolarHBondContact O-N 2.96Å; F149-I152 VanDerWaalsContact O-N 3.14Å; F149-L161 HydrophobicContact CE2-CD1 4.5Å; F149-L161 HydrophobicContact CE2-CD2 3.96Å; F149-L161 HydrophobicContact CE2-CG 4.4Å; F149-N177 HydrophobicContact CD2-CB 4.09Å; F149-N177 HydrophobicContact CG-CB 4.44Å; F149-L178 WeakPolarHBondContact CB-O 3.28Å; F149-L178 PolarHBondContact N-O 3.01Å; F149-L178 VanDerWaalsContact N-O 3.12Å |
| 150 | D | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -55.7 | -31.1 | 172.1 | 60.1 | -61.9 | 0 | 0 | 0 | 112.8 | K148 I152 D179 | K148-D150 VanDerWaalsContact CA-OD1 3.28Å; K148-D150 WeakPolarHBondContact CA-OD1 3.36Å; K148-D150 PolarHBondContact O-N 3.47Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.48Å; D150-D179 HydrophobicContact CB-CB 3.98Å |
| 151 | Q | 97.9 | Very high | 97 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.514 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -85.2 | -3.4 | -177.6 | -53.4 | -172.5 | 11.3 | 0 | 0 | 113.2 | T98 K148 F149 P153 | T98-Q151 HydrophobicContact CG2-CB 3.66Å; K148-Q151 HydrophobicContact CB-CB 4.39Å; K148-Q151 HydrophobicContact CB-CG 4.13Å; K148-Q151 WeakPolarHBondContact O-CB 3.39Å; K148-Q151 PolarHBondContact O-N 2.83Å; F149-Q151 PolarHBondContact O-N 2.92Å; Q151-P153 VanDerWaalsContact O-CD 3.3Å; Q151-P153 WeakPolarHBondContact O-CD 3.49Å |
| 152 | I | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -83.8 | 116.6 | 179.9 | -52.5 | -60.8 | 0 | 0 | 0 | 110.1 | L97 T98 F149 D150 R157 V160 | L97-I152 VanDerWaalsContact C-CD1 3.48Å; L97-I152 HydrophobicContact CB-CD1 3.6Å; L97-I152 HydrophobicContact CB-CG1 3.9Å; L97-I152 WeakPolarHBondContact O-CD1 3.35Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å; F149-I152 HydrophobicContact CD2-CG1 4.48Å; F149-I152 PolarHBondContact O-N 2.96Å; F149-I152 VanDerWaalsContact O-N 3.14Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.48Å; I152-R157 HydrophobicContact CB-CG 4.18Å; I152-R157 HydrophobicContact CG2-CB 4.41Å; I152-R157 HydrophobicContact CG2-CG 3.69Å; I152-R157 PolarHBondContact O-NE 3.42Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; I152-V160 HydrophobicContact CG2-CB 4.34Å; I152-V160 HydrophobicContact CG2-CG2 4.04Å |
| 153 | P | 96.8 | Very high | 97.1 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | trans | -59.1 | 140.4 | 176.6 | -24.6 | 36.4 | 0 | 0 | 0 | 111.4 | Q151 N155 K156 R157 | Q151-P153 VanDerWaalsContact O-CD 3.3Å; Q151-P153 WeakPolarHBondContact O-CD 3.49Å; P153-N155 VanDerWaalsContact C-N 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.42Å; P153-N155 PolarHBondContact O-N 3.36Å; P153-K156 PolarHBondContact O-N 3.46Å; P153-R157 PolarHBondContact O-N 3.09Å; P153-R157 VanDerWaalsContact O-N 3.15Å | ||
| 154 | E | 95.8 | Very high | 96.9 | Very high | 152 Ų | 152 | 60.3 Ų | 60.3 | 71% | 0.71 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54.8 | -40.8 | -174.1 | -63.4 | -165.4 | 150 | 0 | 0 | 113.2 | K156 R157 | E154-K156 PolarHBondContact O-N 2.94Å; E154-R157 PolarHBondContact O-N 3.26Å; E154-R157 IonicContact OE1-NH1 2.62Å |
| 155 | N | 97.1 | Very high | 96.7 | Very high | 139 Ų | 139 | 62 Ų | 62 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.2 | -17.9 | 178.1 | 66.4 | -28.4 | 0 | 0 | 0 | 114.2 | P153 | P153-N155 VanDerWaalsContact C-N 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.42Å; P153-N155 PolarHBondContact O-N 3.36Å |
| 156 | K | 96.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -105 | -10.4 | 177.9 | -67.4 | -174.4 | 176.9 | -178.1 | 0 | 113.4 | P153 E154 S158 E159 V160 | P153-K156 PolarHBondContact O-N 3.46Å; E154-K156 PolarHBondContact O-N 2.94Å; K156-S158 PolarHBondContact O-N 3.36Å; K156-E159 PolarHBondContact O-N 3.33Å; K156-V160 WeakPolarHBondContact O-CG2 3.36Å; K156-V160 PolarHBondContact O-N 3.16Å |
| 157 | R | 95.8 | Very high | 96.1 | Very high | 79 Ų | 79 | 68.3 Ų | 68.3 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | -174.7 | -75.9 | -178.2 | -175 | 167 | 0.3 | 112.5 | I152 P153 E154 E159 V160 L161 | I152-R157 HydrophobicContact CB-CG 4.18Å; I152-R157 HydrophobicContact CG2-CB 4.41Å; I152-R157 HydrophobicContact CG2-CG 3.69Å; I152-R157 PolarHBondContact O-NE 3.42Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; P153-R157 PolarHBondContact O-N 3.09Å; P153-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 PolarHBondContact O-N 3.26Å; E154-R157 IonicContact OE1-NH1 2.62Å; R157-E159 PolarHBondContact O-N 3.03Å; R157-V160 PolarHBondContact O-N 3.33Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 2.93Å |
| 158 | S | 96.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 180 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | K156 L161 T162 | K156-S158 PolarHBondContact O-N 3.36Å; S158-L161 PolarHBondContact O-N 2.58Å; S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.36Å; S158-T162 PolarHBondContact O-OG1 3.45Å |
| 159 | E | 96.3 | Very high | 95.5 | Very high | 135 Ų | 135 | 72.2 Ų | 72.2 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 178.6 | -174.9 | -162.7 | 148.8 | 0 | 0 | 111.3 | K156 R157 R163 | K156-E159 PolarHBondContact O-N 3.33Å; R157-E159 PolarHBondContact O-N 3.03Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 3Å |
| 160 | V | 96.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L97 I152 K156 R157 R163 T164 | L97-V160 HydrophobicContact CB-CG1 4.3Å; L97-V160 HydrophobicContact CD2-CG1 3.79Å; I152-V160 HydrophobicContact CG2-CB 4.34Å; I152-V160 HydrophobicContact CG2-CG2 4.04Å; K156-V160 WeakPolarHBondContact O-CG2 3.36Å; K156-V160 PolarHBondContact O-N 3.16Å; R157-V160 PolarHBondContact O-N 3.33Å; V160-R163 WeakPolarHBondContact O-CB 3.29Å; V160-R163 PolarHBondContact O-N 3.4Å; V160-T164 HydrophobicContact CG1-CG2 4.48Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 PolarHBondContact O-OG1 2.85Å |
| 161 | L | 95.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | -179.9 | -69.4 | 175.3 | 0 | 0 | 0 | 112.6 | F149 R157 S158 R163 T164 A165 N177 | F149-L161 HydrophobicContact CE2-CD1 4.5Å; F149-L161 HydrophobicContact CE2-CD2 3.96Å; F149-L161 HydrophobicContact CE2-CG 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 2.93Å; S158-L161 PolarHBondContact O-N 2.58Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.37Å; L161-T164 PolarHBondContact O-N 3.2Å; L161-T164 PolarHBondContact O-OG1 3.39Å; L161-A165 WeakPolarHBondContact O-CB 3.37Å; L161-A165 PolarHBondContact O-N 2.76Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.4Å |
| 162 | T | 96.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 70 Ų | 70 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.7 | -64.2 | 0 | 0 | 0 | 0 | 111 | S158 A165 F166 | S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.36Å; S158-T162 PolarHBondContact O-OG1 3.45Å; T162-A165 PolarHBondContact O-N 2.77Å; T162-F166 HydrophobicContact CG2-CD2 4.21Å; T162-F166 HydrophobicContact CG2-CE2 3.6Å; T162-F166 HydrophobicContact CG2-CZ 4.4Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.64Å |
| 163 | R | 94.1 | Very high | 94 | Very high | 52 Ų | 52 | 70.3 Ų | 70.3 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 179 | -179.1 | -178.1 | 63 | 80.8 | -3.6 | 112.6 | S103 E159 V160 L161 L167 | S103-R163 PolarHBondContact OG-NH1 3.36Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 3Å; V160-R163 WeakPolarHBondContact O-CB 3.29Å; V160-R163 PolarHBondContact O-N 3.4Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.37Å; R163-L167 PolarHBondContact O-N 2.95Å |
| 164 | T | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -78.2 | -27.3 | -179 | 58 | 0 | 0 | 0 | 0 | 112.5 | L97 V160 L161 L167 S168 E175 | L97-T164 HydrophobicContact CD2-CG2 3.71Å; V160-T164 HydrophobicContact CG1-CG2 4.48Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 PolarHBondContact O-OG1 2.85Å; L161-T164 PolarHBondContact O-N 3.2Å; L161-T164 PolarHBondContact O-OG1 3.39Å; T164-L167 WeakPolarHBondContact O-CB 3.33Å; T164-L167 PolarHBondContact O-N 3.24Å; T164-S168 PolarHBondContact O-N 3.06Å; T164-E175 WeakPolarHBondContact CB-OE1 3.27Å; T164-E175 PolarHBondContact OG1-OE1 2.62Å |
| 165 | A | 94.9 | Very high | 94 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L161 T162 L167 S168 E169 | L161-A165 WeakPolarHBondContact O-CB 3.37Å; L161-A165 PolarHBondContact O-N 2.76Å; T162-A165 PolarHBondContact O-N 2.77Å; A165-L167 VanDerWaalsContact C-N 3.25Å; A165-L167 PolarHBondContact O-N 3.04Å; A165-S168 WeakPolarHBondContact O-CB 3.36Å; A165-S168 PolarHBondContact O-N 2.68Å; A165-S168 VanDerWaalsContact O-N 3.08Å; A165-S168 PolarHBondContact O-OG 3.13Å; A165-E169 PolarHBondContact O-N 3.07Å |
| 166 | F | 93 | Very high | 94 | Very high | 123 Ų | 123 | 58.3 Ų | 58.3 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 174.9 | -69.7 | -57.4 | 0 | 0 | 0 | 112.9 | T162 S168 E169 D170 | T162-F166 HydrophobicContact CG2-CD2 4.21Å; T162-F166 HydrophobicContact CG2-CE2 3.6Å; T162-F166 HydrophobicContact CG2-CZ 4.4Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.64Å; F166-S168 VanDerWaalsContact C-N 3.35Å; F166-E169 PolarHBondContact O-N 3.23Å; F166-D170 PolarHBondContact O-N 3.22Å |
| 167 | L | 91.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.3 | -171.9 | 62.6 | 0 | 0 | 0 | 111.8 | L106 Y107 L144 R163 T164 A165 E169 D170 F171 | L106-L167 HydrophobicContact CD1-CD2 4.08Å; Y107-L167 HydrophobicContact CE1-CD1 4.33Å; Y107-L167 HydrophobicContact CE2-CD1 3.88Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; L144-L167 HydrophobicContact CD1-CD2 4.28Å; L144-L167 HydrophobicContact CD2-CB 4.14Å; L144-L167 HydrophobicContact CD2-CD2 4.07Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; R163-L167 PolarHBondContact O-N 2.95Å; T164-L167 WeakPolarHBondContact O-CB 3.33Å; T164-L167 PolarHBondContact O-N 3.24Å; A165-L167 VanDerWaalsContact C-N 3.25Å; A165-L167 PolarHBondContact O-N 3.04Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-D170 PolarHBondContact O-N 3.36Å; L167-F171 HydrophobicContact CD1-CD2 4.12Å; L167-F171 HydrophobicContact CD1-CE2 3.53Å; L167-F171 HydrophobicContact CD1-CZ 4.43Å; L167-F171 HydrophobicContact CG-CD2 4.12Å; L167-F171 HydrophobicContact CG-CE2 3.87Å; L167-F171 WeakPolarHBondContact O-CD2 3.34Å; L167-F171 PolarHBondContact O-N 2.99Å |
| 168 | S | 92.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 176.4 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | T164 A165 F166 F171 N172 A173 | T164-S168 PolarHBondContact O-N 3.06Å; A165-S168 WeakPolarHBondContact O-CB 3.36Å; A165-S168 PolarHBondContact O-N 2.68Å; A165-S168 VanDerWaalsContact O-N 3.08Å; A165-S168 PolarHBondContact O-OG 3.13Å; F166-S168 VanDerWaalsContact C-N 3.35Å; S168-F171 PolarHBondContact O-N 2.79Å; S168-N172 PolarHBondContact O-N 3.21Å; S168-A173 PolarHBondContact O-N 3.23Å |
| 169 | E | 91 | Very high | 94.3 | Very high | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.9 | -42.9 | 174.2 | -70.3 | 177.2 | 178.5 | 0 | 0 | 111.5 | A165 F166 L167 F171 N172 | A165-E169 PolarHBondContact O-N 3.07Å; F166-E169 PolarHBondContact O-N 3.23Å; L167-E169 VanDerWaalsContact C-N 3.34Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.25Å; E169-N172 PolarHBondContact O-N 3.2Å |
| 170 | D | 88.1 | Confident | 94.3 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 175.8 | -77.5 | -21.1 | 0 | 0 | 0 | 111.9 | Y107 Y130 R132 F166 L167 N172 | Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.2Å; Y130-D170 VanDerWaalsContact CE1-O 3.22Å; Y130-D170 WeakPolarHBondContact CE1-O 3.35Å; R132-D170 IonicContact CZ-OD1 3.61Å; R132-D170 VanDerWaalsContact CZ-OD1 3.32Å; R132-D170 IonicContact NE-OD1 2.7Å; R132-D170 PolarHBondContact NE-OD1 3.43Å; R132-D170 IonicContact NH2-OD1 3.32Å; R132-D170 PolarHBondContact NH2-OD1 3.14Å; F166-D170 PolarHBondContact O-N 3.22Å; L167-D170 PolarHBondContact O-N 3.36Å; D170-N172 VanDerWaalsContact C-N 3.31Å |
| 171 | F | 87.9 | Confident | 94.2 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.2 | 177.4 | -70.1 | -61.7 | 0 | 0 | 0 | 114.1 | L93 L106 Y107 S110 Y130 L142 L167 S168 E169 A173 | L93-F171 HydrophobicContact CD1-CD1 3.86Å; L93-F171 HydrophobicContact CD1-CD2 4.09Å; L93-F171 HydrophobicContact CD1-CE1 3.89Å; L93-F171 HydrophobicContact CD1-CE2 4.07Å; L93-F171 HydrophobicContact CD1-CG 4Å; L93-F171 HydrophobicContact CD1-CZ 4Å; L106-F171 HydrophobicContact CB-CE2 3.96Å; L106-F171 HydrophobicContact CB-CZ 3.85Å; L106-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CE1-CE1 4.36Å; Y107-F171 HydrophobicContact CE1-CE2 4.34Å; Y107-F171 AromaticContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CG-CZ 4.03Å; S110-F171 WeakPolarHBondContact OG-CE1 3.44Å; Y130-F171 HydrophobicContact CE2-CD1 4.36Å; Y130-F171 AromaticContact CE2-CE1 3.91Å; Y130-F171 HydrophobicContact CE2-CE1 3.91Å; Y130-F171 AromaticContact CZ-CD1 3.89Å; Y130-F171 AromaticContact CZ-CE1 3.9Å; Y130-F171 VanDerWaalsContact OH-CD1 3.26Å; Y130-F171 WeakPolarHBondContact OH-CD1 3.17Å; L142-F171 HydrophobicContact CD1-CB 4.08Å; L142-F171 HydrophobicContact CD1-CD1 4.1Å; L142-F171 HydrophobicContact CD1-CG 4.46Å; L167-F171 HydrophobicContact CD1-CD2 4.12Å; L167-F171 HydrophobicContact CD1-CE2 3.53Å; L167-F171 HydrophobicContact CD1-CZ 4.43Å; L167-F171 HydrophobicContact CG-CD2 4.12Å; L167-F171 HydrophobicContact CG-CE2 3.87Å; L167-F171 WeakPolarHBondContact O-CD2 3.34Å; L167-F171 PolarHBondContact O-N 2.99Å; S168-F171 PolarHBondContact O-N 2.79Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.25Å; F171-A173 HydrophobicContact CB-CB 3.84Å; F171-A173 PolarHBondContact O-N 3.1Å |
| 172 | N | 90.1 | Very high | 94.2 | Very high | 144 Ų | 144 | 43.9 Ų | 43.9 | 77% | 0.77 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47 | 46.5 | -168.2 | -171.6 | 29.5 | 0 | 0 | 0 | 111.7 | S168 E169 D170 | S168-N172 PolarHBondContact O-N 3.21Å; E169-N172 PolarHBondContact O-N 3.2Å; D170-N172 VanDerWaalsContact C-N 3.31Å |
| 173 | A | 92.3 | Very high | 94 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 12% | 0.116 | 23% | 0.226 | C | C | . | . | trans | -121.2 | 149.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L142 S168 F171 | L142-A173 HydrophobicContact CB-CB 3.81Å; S168-A173 PolarHBondContact O-N 3.23Å; F171-A173 HydrophobicContact CB-CB 3.84Å; F171-A173 PolarHBondContact O-N 3.1Å | ||
| 174 | E | 95.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.3 | 165.5 | -71 | -163.8 | -126.4 | 0 | 0 | 110.5 | L143 L144 K195 | L143-E174 HydrophobicContact CD1-CB 4.03Å; L143-E174 WeakPolarHBondContact CD1-O 3.13Å; L144-E174 PolarHBondContact N-O 2.7Å; E174-K195 WeakPolarHBondContact OE2-CG 3.49Å |
| 175 | E | 97.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 52 Ų | 52 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.9 | -179.4 | -172.2 | -170.1 | 176.6 | 0 | 0 | 111.9 | L144 T164 N177 K195 | L144-E175 HydrophobicContact CD2-CG 4.22Å; L144-E175 HydrophobicContact CG-CG 4.49Å; L144-E175 WeakPolarHBondContact O-CA 3.42Å; T164-E175 WeakPolarHBondContact CB-OE1 3.27Å; T164-E175 PolarHBondContact OG1-OE1 2.62Å; E175-N177 PolarHBondContact OE1-ND2 2.82Å; E175-N177 PolarHBondContact OE1-OD1 3.13Å; E175-K195 PolarHBondContact O-NZ 3.25Å |
| 176 | I | 98.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.8 | 168.5 | -56.9 | 177.3 | 0 | 0 | 0 | 109.5 | L143 L144 I145 G146 L178 F186 N192 K195 L196 | L143-I176 HydrophobicContact CD1-CD1 4.25Å; L143-I176 HydrophobicContact CD1-CG1 4.35Å; L143-I176 HydrophobicContact CD2-CD1 4.48Å; L144-I176 PolarHBondContact O-N 3.21Å; I145-I176 CarbonylContact C-O 3.42Å; I145-I176 VanDerWaalsContact CA-O 3.29Å; I145-I176 WeakPolarHBondContact CA-O 3.22Å; I145-I176 HydrophobicContact CG1-CB 4.42Å; G146-I176 PolarHBondContact N-O 3.07Å; I176-L178 HydrophobicContact CG2-CB 4.43Å; I176-L178 HydrophobicContact CG2-CD2 3.86Å; I176-F186 HydrophobicContact CD1-CE1 4.11Å; I176-F186 HydrophobicContact CG2-CE1 4.49Å; I176-N192 HydrophobicContact CG2-CB 4.05Å; I176-K195 HydrophobicContact CD1-CB 3.84Å; I176-K195 HydrophobicContact CG1-CB 4.13Å; I176-K195 HydrophobicContact CG1-CD 3.93Å; I176-L196 HydrophobicContact CD1-CB 4.35Å |
| 177 | N | 98.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.3 | 170.8 | -67.6 | -46.6 | 0 | 0 | 0 | 110.1 | L97 G146 F149 L161 E175 | L97-N177 HydrophobicContact CD1-CB 4.01Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.32Å; G146-N177 WeakPolarHBondContact CA-OD1 3.46Å; G146-N177 CarbonylContact O-C 3.56Å; G146-N177 WeakPolarHBondContact O-CA 3.3Å; F149-N177 HydrophobicContact CD2-CB 4.09Å; F149-N177 HydrophobicContact CG-CB 4.44Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.4Å; E175-N177 PolarHBondContact OE1-ND2 2.82Å; E175-N177 PolarHBondContact OE1-OD1 3.13Å |
| 178 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -149.1 | 166.8 | -171.3 | 67.2 | 82.4 | 0 | 0 | 0 | 114.8 | L22 I145 G146 T147 K148 F149 I176 C180 Y185 F186 | L22-L178 HydrophobicContact CD1-CD1 4.32Å; L22-L178 HydrophobicContact CD1-CD2 3.98Å; I145-L178 HydrophobicContact CG2-CD2 4.05Å; I145-L178 HydrophobicContact CG2-CG 4.22Å; G146-L178 PolarHBondContact O-N 2.99Å; T147-L178 CarbonylContact C-O 3.47Å; T147-L178 WeakPolarHBondContact CA-O 3.27Å; K148-L178 PolarHBondContact N-O 3.47Å; K148-L178 VanDerWaalsContact N-O 3.13Å; F149-L178 WeakPolarHBondContact CB-O 3.28Å; F149-L178 PolarHBondContact N-O 3.01Å; F149-L178 VanDerWaalsContact N-O 3.12Å; I176-L178 HydrophobicContact CG2-CB 4.43Å; I176-L178 HydrophobicContact CG2-CD2 3.86Å; L178-C180 HydrophobicContact CD1-CB 4.24Å; L178-C180 WeakPolarHBondContact CD1-SG 3.4Å; L178-Y185 HydrophobicContact CB-CD1 3.3Å; L178-Y185 HydrophobicContact CB-CE1 3.87Å; L178-Y185 HydrophobicContact CB-CG 3.72Å; L178-F186 HydrophobicContact CD2-CD2 4.45Å; L178-F186 HydrophobicContact CD2-CE1 4.2Å; L178-F186 HydrophobicContact CD2-CE2 3.46Å; L178-F186 VanDerWaalsContact CD2-CE2 3.46Å; L178-F186 HydrophobicContact CD2-CZ 3.3Å | ||
| 179 | D | 97.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | trans | -105.6 | 116.1 | 164.4 | 167.8 | 16.8 | 0 | 0 | 0 | 108.6 | D150 T181 N182 Y185 | D150-D179 HydrophobicContact CB-CB 3.98Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 WeakPolarHBondContact OD1-CA 3.49Å; D179-T181 WeakPolarHBondContact OD1-CB 3.43Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.2Å; D179-T181 VanDerWaalsContact OD2-OG1 3.06Å; D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.25Å; D179-N182 WeakPolarHBondContact OD2-CB 3.37Å; D179-Y185 HydrophobicContact CB-CD2 4.24Å; D179-Y185 HydrophobicContact CB-CE2 3.74Å | ||
| 180 | C | 96.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.6 | -179.4 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | L178 N182 | L178-C180 HydrophobicContact CD1-CB 4.24Å; L178-C180 WeakPolarHBondContact CD1-SG 3.4Å; C180-N182 VanDerWaalsContact C-N 3.34Å |
| 181 | T | 94.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.4 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | V31 D179 | V31-T181 WeakPolarHBondContact CG2-O 3.03Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 WeakPolarHBondContact OD1-CA 3.49Å; D179-T181 WeakPolarHBondContact OD1-CB 3.43Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.2Å; D179-T181 VanDerWaalsContact OD2-OG1 3.06Å |
| 182 | N | 95.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | trans | -122.9 | 106.6 | 177.4 | -178.2 | -6.6 | 0 | 0 | 0 | 111 | D179 C180 R184 Y185 | D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.25Å; D179-N182 WeakPolarHBondContact OD2-CB 3.37Å; C180-N182 VanDerWaalsContact C-N 3.34Å; N182-R184 PolarHBondContact O-N 3.25Å; N182-R184 VanDerWaalsContact O-N 3.07Å; N182-R184 VanDerWaalsContact OD1-CB 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 WeakPolarHBondContact OD1-CG 3.35Å; N182-R184 PolarHBondContact OD1-N 3.17Å; N182-R184 VanDerWaalsContact OD1-N 3.1Å; N182-Y185 HydrophobicContact CB-CD2 3.84Å; N182-Y185 HydrophobicContact CB-CE2 4.07Å; N182-Y185 PolarHBondContact O-N 2.7Å | ||
| 183 | P | 94 | Very high | 95.6 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -67.1 | -15.8 | -174.8 | 27.7 | -34 | 0 | 0 | 0 | 113.5 | L25 V31 Y185 F186 A187 | L25-P183 HydrophobicContact CD1-CB 3.99Å; V31-P183 HydrophobicContact CG2-CG 4.5Å; P183-Y185 PolarHBondContact O-N 3.04Å; P183-Y185 VanDerWaalsContact O-N 3.14Å; P183-F186 PolarHBondContact O-N 3.36Å; P183-A187 PolarHBondContact O-N 2.66Å |
| 184 | R | 95.8 | Very high | 95.7 | Very high | 195 Ų | 195 | 50.6 Ų | 50.6 | 74% | 0.736 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.5 | 177.6 | -61.5 | -179.6 | 178.5 | 171.5 | 0.8 | 112.9 | N182 F186 A187 | N182-R184 PolarHBondContact O-N 3.25Å; N182-R184 VanDerWaalsContact O-N 3.07Å; N182-R184 VanDerWaalsContact OD1-CB 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 WeakPolarHBondContact OD1-CG 3.35Å; N182-R184 PolarHBondContact OD1-N 3.17Å; N182-R184 VanDerWaalsContact OD1-N 3.1Å; R184-F186 PolarHBondContact O-N 3.5Å; R184-A187 WeakPolarHBondContact O-CB 3.33Å; R184-A187 PolarHBondContact O-N 3.22Å |
| 185 | Y | 95.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 21% | 0.212 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -63.3 | -23 | 177.6 | -85.5 | -92.2 | 0 | 0 | 0 | 113.8 | L178 D179 N182 P183 N192 | L178-Y185 HydrophobicContact CB-CD1 3.3Å; L178-Y185 HydrophobicContact CB-CE1 3.87Å; L178-Y185 HydrophobicContact CB-CG 3.72Å; D179-Y185 HydrophobicContact CB-CD2 4.24Å; D179-Y185 HydrophobicContact CB-CE2 3.74Å; N182-Y185 HydrophobicContact CB-CD2 3.84Å; N182-Y185 HydrophobicContact CB-CE2 4.07Å; N182-Y185 PolarHBondContact O-N 2.7Å; P183-Y185 PolarHBondContact O-N 3.04Å; P183-Y185 VanDerWaalsContact O-N 3.14Å; Y185-N192 WeakPolarHBondContact CD1-ND2 3.49Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.26Å |
| 186 | F | 96 | Very high | 95.9 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -121.4 | 19.7 | 173.3 | -69.3 | -56.7 | 0 | 0 | 0 | 112.9 | L22 L25 I26 I176 L178 P183 R184 N192 L196 | L22-F186 HydrophobicContact CD1-CE2 3.91Å; L22-F186 HydrophobicContact CD1-CZ 4.27Å; L25-F186 HydrophobicContact CD2-CD2 3.69Å; L25-F186 HydrophobicContact CD2-CE2 4.04Å; L25-F186 HydrophobicContact CG-CD2 3.86Å; L25-F186 HydrophobicContact CG-CE2 4.44Å; I26-F186 HydrophobicContact CD1-CE2 4.4Å; I26-F186 HydrophobicContact CD1-CZ 4.48Å; I26-F186 HydrophobicContact CG1-CD2 4.23Å; I26-F186 HydrophobicContact CG1-CE2 3.75Å; I26-F186 HydrophobicContact CG1-CZ 4.18Å; I176-F186 HydrophobicContact CD1-CE1 4.11Å; I176-F186 HydrophobicContact CG2-CE1 4.49Å; L178-F186 HydrophobicContact CD2-CD2 4.45Å; L178-F186 HydrophobicContact CD2-CE1 4.2Å; L178-F186 HydrophobicContact CD2-CE2 3.46Å; L178-F186 VanDerWaalsContact CD2-CE2 3.46Å; L178-F186 HydrophobicContact CD2-CZ 3.3Å; P183-F186 PolarHBondContact O-N 3.36Å; R184-F186 PolarHBondContact O-N 3.5Å; F186-N192 HydrophobicContact CD1-CB 4.17Å; F186-N192 HydrophobicContact CE1-CB 4.24Å; F186-L196 HydrophobicContact CD1-CB 4.46Å; F186-L196 HydrophobicContact CD1-CD2 3.86Å; F186-L196 HydrophobicContact CE1-CB 4.12Å; F186-L196 HydrophobicContact CE1-CD2 3.74Å; F186-L196 HydrophobicContact CE1-CG 4.42Å; F186-L196 HydrophobicContact CG-CD2 4.41Å; F186-L196 HydrophobicContact CZ-CD2 4.18Å |
| 187 | A | 94.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | trans | -58.4 | 144.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P183 R184 G189 T190 A193 | P183-A187 PolarHBondContact O-N 2.66Å; R184-A187 WeakPolarHBondContact O-CB 3.33Å; R184-A187 PolarHBondContact O-N 3.22Å; A187-G189 PolarHBondContact O-N 2.96Å; A187-T190 HydrophobicContact CB-CG2 4.04Å; A187-T190 WeakPolarHBondContact O-CB 3.32Å; A187-T190 VanDerWaalsContact O-CG2 3.24Å; A187-T190 WeakPolarHBondContact O-CG2 3.43Å; A187-T190 PolarHBondContact O-N 3.1Å; A187-T190 VanDerWaalsContact O-N 3.17Å; A187-T190 PolarHBondContact O-OG1 3.27Å; A187-A193 WeakPolarHBondContact O-CB 3.39Å | ||
| 188 | A | 91.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 85% | 0.851 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T190 | A188-T190 VanDerWaalsContact C-N 3.26Å; A188-T190 PolarHBondContact O-N 3.06Å |
| 189 | G | 90.6 | Very high | 95.6 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -6.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | A187 | A187-G189 PolarHBondContact O-N 2.96Š|
| 190 | T | 96.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 55.7 Ų | 55.7 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -73.3 | 153.1 | 172.3 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | A187 A188 N192 A193 V194 | A187-T190 HydrophobicContact CB-CG2 4.04Å; A187-T190 WeakPolarHBondContact O-CB 3.32Å; A187-T190 VanDerWaalsContact O-CG2 3.24Å; A187-T190 WeakPolarHBondContact O-CG2 3.43Å; A187-T190 PolarHBondContact O-N 3.1Å; A187-T190 VanDerWaalsContact O-N 3.17Å; A187-T190 PolarHBondContact O-OG1 3.27Å; A188-T190 VanDerWaalsContact C-N 3.26Å; A188-T190 PolarHBondContact O-N 3.06Å; T190-N192 PolarHBondContact O-N 2.86Å; T190-A193 PolarHBondContact O-N 2.72Å; T190-A193 WeakPolarHBondContact OG1-CB 2.93Å; T190-A193 PolarHBondContact OG1-N 2.82Å; T190-V194 WeakPolarHBondContact O-CG2 3.47Å; T190-V194 PolarHBondContact O-N 2.7Å; T190-V194 VanDerWaalsContact O-N 3.09Å |
| 191 | S | 96.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.3 | -38.7 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | V194 K195 | S191-V194 PolarHBondContact O-N 2.57Å; S191-K195 VanDerWaalsContact O-CG 3.32Å; S191-K195 WeakPolarHBondContact O-CG 3.32Å; S191-K195 PolarHBondContact O-N 2.82Å |
| 192 | N | 97.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 178.4 | -69 | -12.5 | 0 | 0 | 0 | 112.8 | I176 Y185 F186 T190 V194 K195 L196 | I176-N192 HydrophobicContact CG2-CB 4.05Å; Y185-N192 WeakPolarHBondContact CD1-ND2 3.49Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.26Å; F186-N192 HydrophobicContact CD1-CB 4.17Å; F186-N192 HydrophobicContact CE1-CB 4.24Å; T190-N192 PolarHBondContact O-N 2.86Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.27Å; N192-K195 PolarHBondContact O-N 2.93Å; N192-L196 WeakPolarHBondContact O-CB 3.45Å; N192-L196 PolarHBondContact O-N 3.34Å |
| 193 | A | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A187 T190 L196 S197 | A187-A193 WeakPolarHBondContact O-CB 3.39Å; T190-A193 PolarHBondContact O-N 2.72Å; T190-A193 WeakPolarHBondContact OG1-CB 2.93Å; T190-A193 PolarHBondContact OG1-N 2.82Å; A193-L196 PolarHBondContact O-N 3.02Å; A193-S197 WeakPolarHBondContact O-CB 3.39Å; A193-S197 PolarHBondContact O-N 2.9Å |
| 194 | V | 95.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 53 Ų | 53 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | T190 S191 N192 L196 S197 R198 | T190-V194 WeakPolarHBondContact O-CG2 3.47Å; T190-V194 PolarHBondContact O-N 2.7Å; T190-V194 VanDerWaalsContact O-N 3.09Å; S191-V194 PolarHBondContact O-N 2.57Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.27Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.38Å; V194-S197 PolarHBondContact O-N 3.29Å; V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 3.04Å |
| 195 | K | 97.5 | Very high | 95.5 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 176 | -72 | -178.5 | 168.1 | -176.9 | 0 | 112 | E174 E175 I176 S191 N192 R198 F199 | E174-K195 WeakPolarHBondContact OE2-CG 3.49Å; E175-K195 PolarHBondContact O-NZ 3.25Å; I176-K195 HydrophobicContact CD1-CB 3.84Å; I176-K195 HydrophobicContact CG1-CB 4.13Å; I176-K195 HydrophobicContact CG1-CD 3.93Å; S191-K195 VanDerWaalsContact O-CG 3.32Å; S191-K195 WeakPolarHBondContact O-CG 3.32Å; S191-K195 PolarHBondContact O-N 2.82Å; N192-K195 PolarHBondContact O-N 2.93Å; K195-R198 PolarHBondContact O-N 3.25Å; K195-F199 PolarHBondContact O-N 3.32Å |
| 196 | L | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.2 | -177.4 | 65.2 | 0 | 0 | 0 | 111.5 | I26 L143 I176 F186 N192 A193 V194 F199 F200 | I26-L196 HydrophobicContact CD1-CD1 4.33Å; I26-L196 HydrophobicContact CD1-CD2 4.38Å; I26-L196 HydrophobicContact CG1-CD2 4Å; I26-L196 HydrophobicContact CG2-CD2 4.04Å; L143-L196 HydrophobicContact CD2-CD1 3.81Å; I176-L196 HydrophobicContact CD1-CB 4.35Å; F186-L196 HydrophobicContact CD1-CB 4.46Å; F186-L196 HydrophobicContact CD1-CD2 3.86Å; F186-L196 HydrophobicContact CE1-CB 4.12Å; F186-L196 HydrophobicContact CE1-CD2 3.74Å; F186-L196 HydrophobicContact CE1-CG 4.42Å; F186-L196 HydrophobicContact CG-CD2 4.41Å; F186-L196 HydrophobicContact CZ-CD2 4.18Å; N192-L196 WeakPolarHBondContact O-CB 3.45Å; N192-L196 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.02Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.38Å; L196-F199 WeakPolarHBondContact O-CB 3.28Å; L196-F199 PolarHBondContact O-N 3.08Å; L196-F200 HydrophobicContact CD1-CD2 4.32Å; L196-F200 HydrophobicContact CD1-CE1 4.41Å; L196-F200 HydrophobicContact CD1-CE2 3.59Å; L196-F200 HydrophobicContact CD1-CZ 3.64Å; L196-F200 HydrophobicContact CD2-CE2 3.98Å; L196-F200 HydrophobicContact CG-CD2 4.08Å; L196-F200 HydrophobicContact CG-CE2 3.51Å; L196-F200 HydrophobicContact CG-CZ 4.1Å; L196-F200 WeakPolarHBondContact O-CD2 3.26Å; L196-F200 PolarHBondContact O-N 3.01Å; L196-F200 VanDerWaalsContact O-N 3.08Å |
| 197 | S | 96 | Very high | 95 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -48 | 175.3 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | Q48 A193 V194 F199 F200 D201 | Q48-S197 PolarHBondContact NE2-OG 2.67Å; A193-S197 WeakPolarHBondContact O-CB 3.39Å; A193-S197 PolarHBondContact O-N 2.9Å; V194-S197 PolarHBondContact O-N 3.29Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.17Å; S197-F200 PolarHBondContact O-N 3.24Å; S197-F200 VanDerWaalsContact O-N 3.07Å; S197-D201 VanDerWaalsContact O-CG 3.29Å; S197-D201 PolarHBondContact O-N 3.34Å |
| 198 | R | 95.8 | Very high | 94.8 | Very high | 150 Ų | 150 | 54.6 Ų | 54.6 | 57% | 0.566 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.4 | -39 | 177.1 | -74.2 | 177.4 | -175.1 | 171.9 | 1.5 | 112.6 | V194 K195 K202 | V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 3.04Å; K195-R198 PolarHBondContact O-N 3.25Å; R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.18Å |
| 199 | F | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 174.2 | 167.7 | -103.7 | 0 | 0 | 0 | 111.6 | V9 I92 P141 L143 K195 L196 S197 K202 V203 | V9-F199 HydrophobicContact CG1-CE1 4.01Å; V9-F199 HydrophobicContact CG1-CZ 4.13Å; I92-F199 HydrophobicContact CD1-CE1 4.07Å; I92-F199 HydrophobicContact CG1-CE1 3.73Å; I92-F199 HydrophobicContact CG1-CZ 3.95Å; P141-F199 HydrophobicContact CB-CD2 4.44Å; P141-F199 HydrophobicContact CB-CE2 4.09Å; L143-F199 HydrophobicContact CB-CD1 4.18Å; L143-F199 HydrophobicContact CB-CD2 3.61Å; L143-F199 HydrophobicContact CB-CE1 4.26Å; L143-F199 HydrophobicContact CB-CE2 3.69Å; L143-F199 HydrophobicContact CB-CG 3.85Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD1-CB 4.47Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.9Å; L143-F199 HydrophobicContact CD2-CE1 4.39Å; L143-F199 HydrophobicContact CD2-CG 4.02Å; L143-F199 HydrophobicContact CG-CG 4.39Å; K195-F199 PolarHBondContact O-N 3.32Å; L196-F199 WeakPolarHBondContact O-CB 3.28Å; L196-F199 PolarHBondContact O-N 3.08Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.17Å; F199-K202 PolarHBondContact O-N 3.14Å; F199-V203 HydrophobicContact CD2-CG2 4.41Å; F199-V203 HydrophobicContact CE1-CG2 4.25Å; F199-V203 HydrophobicContact CE2-CG2 3.97Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 2.9Å |
| 200 | F | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 178.1 | -66.6 | -42.9 | 0 | 0 | 0 | 112.6 | V9 I26 Q48 I62 L64 L196 S197 K202 V203 I204 | V9-F200 HydrophobicContact CG2-CE1 4.45Å; I26-F200 HydrophobicContact CG2-CE2 4.31Å; I26-F200 HydrophobicContact CG2-CZ 4.14Å; Q48-F200 HydrophobicContact CG-CB 4.03Å; I62-F200 HydrophobicContact CD1-CB 4.27Å; I62-F200 HydrophobicContact CD1-CD1 4.37Å; I62-F200 HydrophobicContact CD1-CG 4.37Å; I62-F200 HydrophobicContact CG1-CD1 4.25Å; I62-F200 HydrophobicContact CG1-CG 4.27Å; I62-F200 HydrophobicContact CG2-CD1 3.84Å; I62-F200 HydrophobicContact CG2-CE1 3.66Å; I62-F200 HydrophobicContact CG2-CZ 4.31Å; L64-F200 HydrophobicContact CD2-CE1 4.11Å; L64-F200 HydrophobicContact CD2-CZ 4.26Å; L196-F200 HydrophobicContact CD1-CD2 4.32Å; L196-F200 HydrophobicContact CD1-CE1 4.41Å; L196-F200 HydrophobicContact CD1-CE2 3.59Å; L196-F200 HydrophobicContact CD1-CZ 3.64Å; L196-F200 HydrophobicContact CD2-CE2 3.98Å; L196-F200 HydrophobicContact CG-CD2 4.08Å; L196-F200 HydrophobicContact CG-CE2 3.51Å; L196-F200 HydrophobicContact CG-CZ 4.1Å; L196-F200 WeakPolarHBondContact O-CD2 3.26Å; L196-F200 PolarHBondContact O-N 3.01Å; L196-F200 VanDerWaalsContact O-N 3.08Å; S197-F200 PolarHBondContact O-N 3.24Å; S197-F200 VanDerWaalsContact O-N 3.07Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.27Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.38Å; F200-V203 VanDerWaalsContact O-N 3.15Å; F200-I204 VanDerWaalsContact O-CG1 3.31Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.45Å |
| 201 | D | 95.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 175 | -67.7 | -25 | 0 | 0 | 0 | 110.7 | Y50 S197 V203 I204 E205 | Y50-D201 HydrophobicContact CD2-CB 4.07Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.48Å; Y50-D201 HydrophobicContact CE2-CB 4.2Å; S197-D201 VanDerWaalsContact O-CG 3.29Å; S197-D201 PolarHBondContact O-N 3.34Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.07Å; D201-I204 PolarHBondContact O-N 3.49Å; D201-I204 VanDerWaalsContact O-N 3.15Å; D201-E205 WeakPolarHBondContact O-CB 3.46Å; D201-E205 VanDerWaalsContact O-CG 3.31Å; D201-E205 WeakPolarHBondContact O-CG 3.1Å; D201-E205 PolarHBondContact O-N 3.13Å |
| 202 | K | 94.7 | Very high | 89.9 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 175.8 | -173.8 | 177.1 | -178.6 | 179.4 | 0 | 112.7 | P141 R198 F199 F200 K206 | P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.24Å; P141-K202 HydrophobicContact CG-CG 4.14Å; R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.18Å; F199-K202 PolarHBondContact O-N 3.14Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.27Å; K202-K206 WeakPolarHBondContact O-CB 3.24Å; K202-K206 PolarHBondContact O-N 3.43Å |
| 203 | V | 95.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111 | V7 V9 N89 P141 F199 F200 D201 R207 | V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.3Å; V7-V203 HydrophobicContact CG2-CG1 4.1Å; V9-V203 HydrophobicContact CG2-CG1 4.19Å; N89-V203 HydrophobicContact CB-CG1 3.75Å; P141-V203 HydrophobicContact CB-CG2 3.89Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CD2-CG2 4.41Å; F199-V203 HydrophobicContact CE1-CG2 4.25Å; F199-V203 HydrophobicContact CE2-CG2 3.97Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 2.9Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.38Å; F200-V203 VanDerWaalsContact O-N 3.15Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.07Å; V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 PolarHBondContact O-N 3.15Å; V203-R207 VanDerWaalsContact O-N 3.12Å |
| 204 | I | 95.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -48.8 | 177.7 | -69.2 | 163.6 | 0 | 0 | 0 | 110.5 | V7 Q48 Y50 F60 I62 F200 D201 K206 R207 Y208 F209 | V7-I204 HydrophobicContact CG1-CG1 4.14Å; V7-I204 HydrophobicContact CG2-CG1 4.32Å; Q48-I204 HydrophobicContact CG-CD1 4.28Å; Y50-I204 HydrophobicContact CD2-CB 4.34Å; Y50-I204 HydrophobicContact CD2-CD1 4.48Å; Y50-I204 HydrophobicContact CD2-CG2 4Å; Y50-I204 HydrophobicContact CE2-CG2 4.38Å; Y50-I204 HydrophobicContact CG-CG2 4.16Å; F60-I204 HydrophobicContact CB-CD1 3.81Å; F60-I204 HydrophobicContact CB-CG1 4.31Å; F60-I204 HydrophobicContact CD1-CG1 4.3Å; F60-I204 HydrophobicContact CD1-CG2 4.12Å; F60-I204 HydrophobicContact CD2-CD1 3.77Å; F60-I204 HydrophobicContact CD2-CG1 4.33Å; F60-I204 HydrophobicContact CD2-CG2 3.91Å; F60-I204 HydrophobicContact CE1-CG2 3.78Å; F60-I204 HydrophobicContact CE2-CD1 4.47Å; F60-I204 HydrophobicContact CE2-CG2 3.54Å; F60-I204 HydrophobicContact CG-CD1 3.79Å; F60-I204 HydrophobicContact CG-CG1 4.07Å; F60-I204 HydrophobicContact CG-CG2 4.19Å; F60-I204 HydrophobicContact CZ-CG2 3.46Å; F60-I204 VanDerWaalsContact CZ-CG2 3.46Å; I62-I204 HydrophobicContact CD1-CD1 4.03Å; I62-I204 HydrophobicContact CD1-CG1 4.34Å; F200-I204 VanDerWaalsContact O-CG1 3.31Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.45Å; D201-I204 PolarHBondContact O-N 3.49Å; D201-I204 VanDerWaalsContact O-N 3.15Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.95Å; I204-R207 PolarHBondContact O-N 3.23Å; I204-R207 VanDerWaalsContact O-N 3.12Å; I204-Y208 HydrophobicContact CG2-CD2 4.26Å; I204-Y208 PolarHBondContact O-N 3.3Å; I204-F209 HydrophobicContact CG2-CD2 4.48Å; I204-F209 HydrophobicContact CG2-CE2 3.91Å |
| 205 | E | 92.9 | Very high | 82.1 | Confident | 80 Ų | 80 | 80 Ų | 80 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -53.4 | -49.5 | 177 | -77.5 | 174.3 | 176.4 | 0 | 0 | 112.2 | Y50 D201 R207 F209 T210 | Y50-E205 HydrophobicContact CE2-CG 3.71Å; Y50-E205 WeakPolarHBondContact OH-CG 3.39Å; Y50-E205 PolarHBondContact OH-OE1 3.37Å; D201-E205 WeakPolarHBondContact O-CB 3.46Å; D201-E205 VanDerWaalsContact O-CG 3.31Å; D201-E205 WeakPolarHBondContact O-CG 3.1Å; D201-E205 PolarHBondContact O-N 3.13Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 3.04Å; E205-F209 HydrophobicContact CG-CD2 4.37Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.46Å; E205-F209 PolarHBondContact O-N 3.34Å; E205-T210 PolarHBondContact O-N 2.95Å; E205-T210 PolarHBondContact O-OG1 2.88Å |
| 206 | K | 91.5 | Very high | 79.2 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 30% | 0.296 | 41% | 0.411 | S | S | . | . | I | π-helix | trans | -65.5 | -34.4 | -179.6 | -168.7 | 164.4 | 178.2 | 150.2 | 0 | 113 | N138 A139 P141 K202 I204 T210 | N138-K206 PolarHBondContact O-NZ 3.48Å; A139-K206 PolarHBondContact O-NZ 3.16Å; P141-K206 HydrophobicContact CG-CD 4.05Å; K202-K206 WeakPolarHBondContact O-CB 3.24Å; K202-K206 PolarHBondContact O-N 3.43Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.95Å; K206-T210 WeakPolarHBondContact CA-OG1 3.3Å |
| 207 | R | 90.8 | Very high | 76.4 | Confident | 127 Ų | 127 | 91.8 Ų | 91.8 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | I | π-helix | trans | -79.7 | -38.1 | -177.8 | 176.1 | 57.3 | -176 | 89.3 | 0.9 | 113.5 | V7 V203 I204 E205 | V7-R207 HydrophobicContact CG1-CB 4.3Å; V7-R207 HydrophobicContact CG1-CG 4.24Å; V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 PolarHBondContact O-N 3.15Å; V203-R207 VanDerWaalsContact O-N 3.12Å; I204-R207 PolarHBondContact O-N 3.23Å; I204-R207 VanDerWaalsContact O-N 3.12Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 3.04Å |
| 208 | Y | 90 | Very high | 73.6 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 24% | 0.235 | 47% | 0.47 | C | S | . | . | I | π-helix | trans | -114.1 | -28.6 | -168 | -71 | -78.3 | 0 | 0 | 0 | 114.2 | D5 R6 V7 F60 I204 | D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.46Å; R6-Y208 PolarHBondContact N-OH 3.22Å; R6-Y208 VanDerWaalsContact N-OH 3.13Å; R6-Y208 PolarHBondContact O-OH 3.43Å; V7-Y208 HydrophobicContact CG1-CD2 4.27Å; V7-Y208 HydrophobicContact CG1-CE2 3.6Å; F60-Y208 HydrophobicContact CD1-CD2 4.23Å; F60-Y208 AromaticContact CD1-CE2 3.9Å; F60-Y208 HydrophobicContact CD1-CE2 3.9Å; F60-Y208 AromaticContact CE1-CD2 3.54Å; F60-Y208 HydrophobicContact CE1-CD2 3.54Å; F60-Y208 AromaticContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CG 4.08Å; F60-Y208 HydrophobicContact CZ-CD2 4.32Å; I204-Y208 HydrophobicContact CG2-CD2 4.26Å; I204-Y208 PolarHBondContact O-N 3.3Å |
| 209 | F | 85.3 | Confident | 70.8 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 47% | 0.469 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -114.2 | -15.9 | -169.4 | -56.3 | -57.3 | 0 | 0 | 0 | 113.8 | Y50 F60 I204 E205 R211 | Y50-F209 HydrophobicContact CD1-CE2 4.07Å; Y50-F209 HydrophobicContact CE1-CD2 4.16Å; Y50-F209 AromaticContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CE2 3.47Å; Y50-F209 VanDerWaalsContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CZ 4.07Å; Y50-F209 HydrophobicContact CE2-CE2 4.45Å; Y50-F209 AromaticContact CZ-CD2 3.94Å; Y50-F209 AromaticContact CZ-CE2 3.68Å; F60-F209 HydrophobicContact CZ-CE2 4.37Å; F60-F209 HydrophobicContact CZ-CZ 4.27Å; I204-F209 HydrophobicContact CG2-CD2 4.48Å; I204-F209 HydrophobicContact CG2-CE2 3.91Å; E205-F209 HydrophobicContact CG-CD2 4.37Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.46Å; E205-F209 PolarHBondContact O-N 3.34Å; F209-R211 VanDerWaalsContact C-N 3.25Å; F209-R211 PolarHBondContact O-N 3.03Å |
| 210 | T | 78.3 | Confident | 68.1 | Low | 98 Ų | 98 | 102.4 Ų | 102.4 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | trans | -75.8 | 79.1 | 167 | -50 | 0 | 0 | 0 | 0 | 109.6 | E205 K206 | E205-T210 PolarHBondContact O-N 2.95Å; E205-T210 PolarHBondContact O-OG1 2.88Å; K206-T210 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 211 | R | 58.7 | Low | 65.4 | Low | 225 Ų | 225 | 109.7 Ų | 109.7 | 85% | 0.849 | 57% | 0.565 | S | S | * | * | trans | -85.5 | 128.5 | 163.1 | -80.2 | -173.4 | 173.3 | -178 | -1.8 | 108.9 | F209 S213 | F209-R211 VanDerWaalsContact C-N 3.25Å; F209-R211 PolarHBondContact O-N 3.03Å; R211-S213 PolarHBondContact O-N 3.19Å | ||
| 212 | D | 49.5 | Very low | 62.7 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | trans | -38.8 | 123.3 | 166.4 | -103.3 | -37.1 | 0 | 0 | 0 | 112.3 | S214 | D212-S214 WeakPolarHBondContact CB-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.18Å | ||
| 213 | S | 41.5 | Very low | 60.2 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 88% | 0.881 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -59.1 | -3.2 | 168.6 | -33.9 | 0 | 0 | 0 | 0 | 113.2 | R211 | R211-S213 PolarHBondContact O-N 3.19Š|
| 214 | S | 43.3 | Very low | 57.4 | Low | 79 Ų | 79 | 135.6 Ų | 135.6 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -90.1 | -0.1 | -175.1 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | D212 | D212-S214 WeakPolarHBondContact CB-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.18Å |
| 215 | Q | 40.1 | Very low | 54.6 | Low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -107.7 | 25.3 | 174.2 | -71 | -160.5 | 10.5 | 0 | 0 | 115.3 | ||
| 216 | M | 37 | Very low | 51.6 | Low | 181 Ų | 181 | 148.3 Ų | 148.3 | 89% | 0.892 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -115 | 17.9 | 173.4 | -133.3 | 160.5 | 102.3 | 0 | 0 | 114.8 | ||
| 217 | T | 38.5 | Very low | 49 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -123.1 | 81.9 | 166.1 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 218 | G | 36.7 | Very low | 46.4 | Very low | 61 Ų | 61 | 156.7 Ų | 156.7 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -174.2 | 17.1 | -180 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 219 | F | 37.6 | Very low | 43.9 | Very low | 214 Ų | 214 | 158.8 Ų | 158.8 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 61.7 | 172.4 | -95.7 | -77 | 0 | 0 | 0 | 112.3 | ||||
| 220 | T | 41.6 | Very low | 41.6 | Very low | 134 Ų | 134 | 161 Ų | 161 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -142.3 | 137.9 | 152.6 | 43.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 221 | D | 40 | Very low | 39.7 | Very low | 154 Ų | 154 | 164.8 Ų | 164.8 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 78.5 | 82.6 | 178 | -65.9 | -33.3 | 0 | 0 | 0 | 119.8 | ||||
| 222 | R | 37.9 | Very low | 38.8 | Very low | 250 Ų | 250 | 164.1 Ų | 164.1 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | -153.1 | 68.4 | 131.3 | -108.8 | 174.1 | -166.7 | -169.5 | 5.2 | 111.7 | ||||
| 223 | K | 42 | Very low | 38.5 | Very low | 189 Ų | 189 | 169.2 Ų | 169.2 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | trans | -138.5 | 83.5 | 152.7 | -81.6 | -167.6 | -179.9 | 177.3 | 0 | 109.3 | ||||
| 224 | R | 37.6 | Very low | 38.3 | Very low | 248 Ų | 248 | 171.4 Ų | 171.4 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | trans | -121.3 | 116.9 | 150.2 | -87.4 | -173.3 | 176.3 | 179.7 | 0.2 | 108.8 | ||||
| 225 | F | 35.3 | Very low | 38 | Very low | 177 Ų | 177 | 176.3 Ų | 176.3 | 78% | 0.776 | 86% | 0.855 | S | S | * | * | trans | -51.7 | 131.5 | 174.3 | -80.1 | -106.4 | 0 | 0 | 0 | 110.8 | ||||
| 226 | N | 31.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 176 Ų | 176 | 91% | 0.914 | 86% | 0.855 | S | S | * | * | trans | -92.8 | 96.3 | 163.3 | -133.9 | 4.9 | 0 | 0 | 0 | 106.7 | ||||
| 227 | F | 35.9 | Very low | 38 | Very low | 181 Ų | 181 | 175.7 Ų | 175.7 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | trans | -84.9 | 126.5 | 169.3 | -121.9 | -91.4 | 0 | 0 | 0 | 108.5 | ||||
| 228 | K | 36.8 | Very low | 38 | Very low | 190 Ų | 190 | 178.2 Ų | 178.2 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | trans | -57.2 | 135.6 | 173 | -69.7 | 175.3 | 172.4 | -179.4 | 0 | 110.6 | ||||
| 229 | S | 37 | Very low | 38 | Very low | 104 Ų | 104 | 186 Ų | 186 | 73% | 0.727 | 87% | 0.869 | S | S | * | * | trans | -108.1 | 116.6 | 151.2 | 176 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 230 | L | 37.4 | Very low | 38.1 | Very low | 152 Ų | 152 | 184 Ų | 184 | 80% | 0.796 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 124.1 | 168 | -80.9 | 131.5 | 0 | 0 | 0 | 107.7 | ||
| 231 | H | 38 | Very low | 37.8 | Very low | 178 Ų | 178 | 187.8 Ų | 187.8 | 82% | 0.824 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -96 | 123.3 | 158.2 | -102.6 | -74.2 | 0 | 0 | 0 | 108.4 | ||
| 232 | Y | 38.9 | Very low | 37.6 | Very low | 211 Ų | 211 | 190.7 Ų | 190.7 | 83% | 0.827 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.5 | 159.5 | -107.4 | -99.1 | 0 | 0 | 0 | 108 | ||
| 233 | D | 43.2 | Very low | 37.6 | Very low | 237 Ų | 237 | 185.3 Ų | 185.3 | 100% | 1.267 | 87% | 0.865 | S | S | * | * | trans | -162.2 | 0 | 130.8 | -85.8 | -27.1 | 0 | 0 | 0 | 108.6 |
Retrieved 233 of 233 residues in 401.9 ms
(Link to these results)