| 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 | 41.3 | Very low | 54.1 | Low | 251 Ų | 251 | 129.8 Ų | 129.8 | 100% | 1.236 | 74% | 0.735 | S | S | * | * | 0 | 111.4 | 0 | -77.1 | -168.7 | -131.6 | 0 | 0 | 108.6 | |||||
| 2 | A | 36.9 | Very low | 57.6 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -151.5 | 85.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | W4 | A2-W4 PolarHBondContact O-N 3.47Š| ||
| 3 | G | 39.3 | Very low | 60.6 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 66% | 0.657 | S | S | * | * | trans | -73.5 | 118 | 174 | 0 | 0 | 0 | 0 | 0 | 108.2 | K5 | G3-K5 PolarHBondContact O-N 3.33Å; G3-K5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | W | 45.4 | Very low | 63.2 | Low | 256 Ų | 256 | 116.5 Ų | 116.5 | 97% | 0.97 | 64% | 0.637 | S | S | * | * | trans | -67.5 | 107.9 | 163.8 | -77.7 | -30.2 | 0 | 0 | 0 | 108.5 | A2 | A2-W4 PolarHBondContact O-N 3.47Š| ||
| 5 | K | 50.3 | Low | 65.6 | Low | 210 Ų | 210 | 108.8 Ų | 108.8 | 91% | 0.913 | 59% | 0.594 | S | S | * | * | trans | -103.6 | 102.2 | 153.3 | -79.2 | -174.2 | 174.8 | -177.9 | 0 | 106.4 | G3 | G3-K5 PolarHBondContact O-N 3.33Å; G3-K5 VanDerWaalsContact O-N 3.14Å | ||
| 6 | D | 50.1 | Low | 67.5 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 66% | 0.663 | 56% | 0.558 | S | S | * | * | trans | -145.9 | 127.5 | 153.5 | -172.5 | 21 | 0 | 0 | 0 | 108.8 | S8 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 PolarHBondContact O-N 3.09Å; D6-S8 PolarHBondContact OD1-N 3.26Å; D6-S8 WeakPolarHBondContact OD2-CB 2.78Å; D6-S8 PolarHBondContact OD2-OG 3.26Å | ||
| 7 | G | 49.5 | Very low | 69.2 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 79% | 0.794 | 53% | 0.526 | S | S | * | . | trans | -81.8 | 32.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | V9 | G7-V9 PolarHBondContact O-N 3.14Š| ||
| 8 | S | 55.4 | Low | 70.7 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | trans | -64.4 | 121.6 | 170.7 | 31.3 | 0 | 0 | 0 | 0 | 108.1 | D6 Q10 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 PolarHBondContact O-N 3.09Å; D6-S8 PolarHBondContact OD1-N 3.26Å; D6-S8 WeakPolarHBondContact OD2-CB 2.78Å; D6-S8 PolarHBondContact OD2-OG 3.26Å; S8-Q10 PolarHBondContact O-N 2.87Å | ||
| 9 | V | 62.3 | Low | 71.9 | Confident | 137 Ų | 137 | 86.1 Ų | 86.1 | 83% | 0.83 | 47% | 0.47 | S | S | * | . | trans | -61.7 | 102.8 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | G7 E11 | G7-V9 PolarHBondContact O-N 3.14Å; V9-E11 PolarHBondContact O-N 3.19Å | ||
| 10 | Q | 74.7 | Confident | 72.9 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 29% | 0.29 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 116.9 | 173.1 | -177.7 | 172.4 | 52.3 | 0 | 0 | 107.9 | S8 K12 R61 | S8-Q10 PolarHBondContact O-N 2.87Å; Q10-K12 PolarHBondContact O-N 3.28Å; Q10-R61 HydrophobicContact CG-CB 3.8Å |
| 11 | E | 90.4 | Very high | 73.7 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 33% | 0.327 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 125.2 | 176.3 | -64.7 | -174.6 | 108.9 | 0 | 0 | 109 | V9 Y13 R61 R174 | V9-E11 PolarHBondContact O-N 3.19Å; E11-Y13 HydrophobicContact CB-CE2 3.67Å; E11-Y13 WeakPolarHBondContact CB-OH 3.48Å; E11-Y13 PolarHBondContact OE1-OH 3.16Å; E11-Y13 PolarHBondContact OE2-OH 3.26Å; E11-R61 PolarHBondContact O-N 2.92Å; E11-R174 IonicContact OE2-NE 2.96Å; E11-R174 IonicContact OE2-NH2 3.35Å |
| 12 | K | 95.1 | Very high | 76 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131 | -178.7 | -178.4 | -176.6 | 174.6 | 164.5 | 0 | 108.8 | Q10 R61 D63 | Q10-K12 PolarHBondContact O-N 3.28Å; K12-R61 CarbonylContact C-O 3.57Å; K12-R61 WeakPolarHBondContact CA-O 3.27Å; K12-D63 WeakPolarHBondContact CE-OD2 3.42Å; K12-D63 IonicContact NZ-OD2 2.7Å; K12-D63 PolarHBondContact NZ-OD2 3.33Å |
| 13 | Y | 97.3 | Very high | 78.7 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.5 | 177.6 | -57.1 | -76.6 | 0 | 0 | 0 | 110.8 | E11 A60 R61 L62 D63 E85 V170 I173 R174 | E11-Y13 HydrophobicContact CB-CE2 3.67Å; E11-Y13 WeakPolarHBondContact CB-OH 3.48Å; E11-Y13 PolarHBondContact OE1-OH 3.16Å; E11-Y13 PolarHBondContact OE2-OH 3.26Å; Y13-A60 HydrophobicContact CD2-CB 4.04Å; Y13-A60 HydrophobicContact CE2-CB 3.82Å; Y13-R61 PolarHBondContact N-O 3.3Å; Y13-L62 HydrophobicContact CD2-CD2 3.76Å; Y13-L62 HydrophobicContact CG-CD2 4.25Å; Y13-D63 PolarHBondContact O-N 2.7Å; Y13-E85 VanDerWaalsContact CA-OE2 3.29Å; Y13-E85 WeakPolarHBondContact CA-OE2 3.26Å; Y13-V170 HydrophobicContact CD2-CG1 3.97Å; Y13-V170 HydrophobicContact CD2-CG2 4.4Å; Y13-V170 HydrophobicContact CE1-CG1 4.35Å; Y13-V170 HydrophobicContact CE2-CG1 3.74Å; Y13-V170 HydrophobicContact CG-CG1 4.35Å; Y13-V170 HydrophobicContact CG-CG2 4.45Å; Y13-I173 HydrophobicContact CD1-CB 4.41Å; Y13-I173 HydrophobicContact CD1-CD1 4.42Å; Y13-I173 HydrophobicContact CD1-CG2 3.82Å; Y13-I173 HydrophobicContact CE1-CG2 4.04Å; Y13-R174 HydrophobicContact CE1-CG 4.22Å; Y13-R174 WeakPolarHBondContact OH-CG 3.44Å; Y13-R174 PolarHBondContact OH-NE 2.95Å |
| 14 | R | 97.6 | Very high | 81.4 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 98.4 | 174.7 | -70.8 | 175.8 | -73.1 | 170.8 | 2.7 | 110.3 | D63 T83 E85 G86 | R14-D63 CarbonylContact C-O 3.55Å; R14-D63 WeakPolarHBondContact CA-O 3.19Å; R14-T83 PolarHBondContact NE-O 3.4Å; R14-T83 PolarHBondContact NH1-O 2.96Å; R14-E85 HydrophobicContact CB-CB 4.44Å; R14-E85 HydrophobicContact CB-CG 4.33Å; R14-E85 IonicContact CZ-OE1 3.27Å; R14-E85 VanDerWaalsContact CZ-OE1 3.27Å; R14-E85 PolarHBondContact N-OE2 3.31Å; R14-E85 IonicContact NE-OE1 2.95Å; R14-E85 PolarHBondContact NE-OE1 3.15Å; R14-E85 IonicContact NH2-OE1 2.73Å; R14-E85 PolarHBondContact NH2-OE1 3.43Å; R14-E85 PolarHBondContact O-N 2.73Å; R14-G86 PolarHBondContact O-N 3.11Å |
| 15 | L | 98.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142 | -179.8 | -48.4 | -173.1 | 0 | 0 | 0 | 109.9 | L62 D63 I64 L65 G86 F166 L169 V170 I173 | L15-L62 HydrophobicContact CD1-CB 4.29Å; L15-L62 HydrophobicContact CD1-CD1 4.14Å; L15-L62 HydrophobicContact CD1-CD2 4.29Å; L15-L62 HydrophobicContact CD1-CG 4.47Å; L15-D63 PolarHBondContact N-O 2.99Å; L15-I64 HydrophobicContact CB-CG1 4.43Å; L15-I64 HydrophobicContact CD1-CG1 4.48Å; L15-I64 CarbonylContact O-C 3.48Å; L15-I64 WeakPolarHBondContact O-CA 3.34Å; L15-L65 PolarHBondContact O-N 3.42Å; L15-G86 WeakPolarHBondContact CA-O 3.4Å; L15-F166 HydrophobicContact CD1-CD1 4.04Å; L15-L169 HydrophobicContact CB-CD2 4.34Å; L15-L169 HydrophobicContact CD1-CD2 4.44Å; L15-L169 HydrophobicContact CD2-CD2 3.85Å; L15-L169 HydrophobicContact CD2-CG 4.17Å; L15-L169 HydrophobicContact CG-CD2 4.43Å; L15-V170 HydrophobicContact CD1-CG2 4.26Å; L15-V170 HydrophobicContact CD2-CG2 4.45Å; L15-I173 HydrophobicContact CD2-CD1 3.35Å |
| 16 | V | 97 | Very high | 85.7 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.6 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | V18 L65 T67 Y80 G86 F87 L88 | V16-V18 HydrophobicContact CG1-CG1 3.79Å; V16-L65 HydrophobicContact CG1-CB 4.33Å; V16-L65 HydrophobicContact CG1-CD2 4.24Å; V16-L65 HydrophobicContact CG2-CB 4.33Å; V16-T67 HydrophobicContact CG1-CG2 3.78Å; V16-Y80 HydrophobicContact CG1-CD2 3.73Å; V16-Y80 HydrophobicContact CG1-CE2 4.28Å; V16-Y80 HydrophobicContact CG1-CG 4.21Å; V16-G86 PolarHBondContact N-O 2.81Å; V16-F87 HydrophobicContact CB-CD1 3.68Å; V16-F87 HydrophobicContact CB-CE1 3.83Å; V16-F87 HydrophobicContact CG1-CD1 4.22Å; V16-F87 HydrophobicContact CG1-CE1 4.29Å; V16-F87 HydrophobicContact CG2-CD1 4.28Å; V16-F87 HydrophobicContact CG2-CE1 3.94Å; V16-F87 CarbonylContact O-C 3.57Å; V16-F87 VanDerWaalsContact O-CA 3.3Å; V16-F87 WeakPolarHBondContact O-CA 3.41Å; V16-L88 PolarHBondContact O-N 3.39Å |
| 17 | V | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.4 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 108.6 | K25 I64 L65 T67 L88 V90 F166 | V17-K25 HydrophobicContact CB-CB 4.46Å; V17-K25 HydrophobicContact CG1-CB 3.67Å; V17-K25 HydrophobicContact CG1-CD 4.19Å; V17-K25 HydrophobicContact CG1-CG 3.87Å; V17-I64 HydrophobicContact CG2-CG2 3.93Å; V17-L65 PolarHBondContact N-O 2.97Å; V17-T67 WeakPolarHBondContact O-CG2 3.5Å; V17-T67 PolarHBondContact O-OG1 3.13Å; V17-L88 HydrophobicContact CG1-CB 4.23Å; V17-L88 HydrophobicContact CG2-CB 4.43Å; V17-L88 HydrophobicContact CG2-CD1 4.4Å; V17-V90 HydrophobicContact CG1-CG2 3.58Å; V17-F166 HydrophobicContact CG2-CE1 3.99Å; V17-F166 HydrophobicContact CG2-CZ 4.25Å |
| 18 | V | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.8 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | V16 T67 Y80 F87 L88 L89 V90 F105 I109 | V16-V18 HydrophobicContact CG1-CG1 3.79Å; V18-T67 HydrophobicContact CG1-CG2 4.2Å; V18-Y80 HydrophobicContact CG1-CE2 3.8Å; V18-F87 HydrophobicContact CG1-CD1 4.49Å; V18-L88 PolarHBondContact N-O 2.87Å; V18-L89 HydrophobicContact CG2-CD2 3.42Å; V18-L89 VanDerWaalsContact CG2-CD2 3.42Å; V18-V90 PolarHBondContact O-N 3.24Å; V18-F105 HydrophobicContact CB-CD1 4.08Å; V18-F105 HydrophobicContact CB-CE1 4.38Å; V18-F105 HydrophobicContact CG2-CB 4.35Å; V18-F105 HydrophobicContact CG2-CD1 4.32Å; V18-F105 HydrophobicContact CG2-CG 4.41Å; V18-I109 HydrophobicContact CG2-CD1 4.24Å |
| 19 | G | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 150 | 168 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K25 G69 V90 | G19-K25 PolarHBondContact O-NZ 3.02Å; G19-G69 WeakPolarHBondContact O-CA 3.47Å; G19-V90 WeakPolarHBondContact CA-O 3.29Å | ||
| 20 | G | 91.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -58.6 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V23 K25 G69 E101 | G20-V23 VanDerWaalsContact O-CG2 3.29Å; G20-V23 WeakPolarHBondContact O-CG2 3.41Å; G20-K25 PolarHBondContact O-NZ 3.08Å; G20-G69 CarbonylContact C-O 3.59Å; G20-E101 WeakPolarHBondContact CA-OE2 3.38Å |
| 21 | G | 89.7 | Confident | 94.1 | Very high | 46 Ų | 46 | 22.8 Ų | 22.8 | 47% | 0.474 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 139.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V23 G69 | G21-V23 PolarHBondContact O-N 2.88Å; G21-V23 VanDerWaalsContact O-N 3.07Å; G21-G69 PolarHBondContact N-O 2.95Å |
| 22 | G | 90.1 | Very high | 94.3 | Very high | 64 Ų | 64 | 19.4 Ų | 19.4 | 66% | 0.66 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 3.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G24 K126 | G22-G24 PolarHBondContact O-N 2.93Å; G22-K126 WeakPolarHBondContact O-CE 3.4Å; G22-K126 PolarHBondContact O-NZ 3.49Å |
| 23 | V | 95 | Very high | 94 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -70.6 | -17.7 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | G20 G21 K25 V90 N125 | G20-V23 VanDerWaalsContact O-CG2 3.29Å; G20-V23 WeakPolarHBondContact O-CG2 3.41Å; G21-V23 PolarHBondContact O-N 2.88Å; G21-V23 VanDerWaalsContact O-N 3.07Å; V23-K25 HydrophobicContact CG2-CD 4.42Å; V23-K25 HydrophobicContact CG2-CG 3.65Å; V23-V90 HydrophobicContact CB-CG1 4.4Å; V23-V90 HydrophobicContact CG2-CB 4.16Å; V23-V90 HydrophobicContact CG2-CG1 3.87Å; V23-N125 PolarHBondContact O-ND2 3.18Å |
| 24 | G | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | trans | 97.8 | 32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G22 A27 L28 | G22-G24 PolarHBondContact O-N 2.93Å; G24-A27 PolarHBondContact O-N 3.43Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.98Å | ||
| 25 | K | 94.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.3 | -55.5 | 173 | -59 | -171.6 | -63.3 | -72.6 | 0 | 111.8 | V17 G19 G20 V23 A27 L28 T29 D66 T67 G69 V90 | V17-K25 HydrophobicContact CB-CB 4.46Å; V17-K25 HydrophobicContact CG1-CB 3.67Å; V17-K25 HydrophobicContact CG1-CD 4.19Å; V17-K25 HydrophobicContact CG1-CG 3.87Å; G19-K25 PolarHBondContact O-NZ 3.02Å; G20-K25 PolarHBondContact O-NZ 3.08Å; V23-K25 HydrophobicContact CG2-CD 4.42Å; V23-K25 HydrophobicContact CG2-CG 3.65Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.87Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 2.88Å; K25-L28 VanDerWaalsContact O-N 3.13Å; K25-T29 PolarHBondContact O-N 3.25Å; K25-T29 PolarHBondContact O-OG1 2.82Å; K25-T29 VanDerWaalsContact O-OG1 3.13Å; K25-D66 VanDerWaalsContact CB-OD1 3.29Å; K25-D66 WeakPolarHBondContact CB-OD1 3.39Å; K25-T67 WeakPolarHBondContact CE-O 3.29Å; K25-G69 VanDerWaalsContact NZ-N 3.2Å; K25-V90 HydrophobicContact CG-CB 4.24Å; K25-V90 HydrophobicContact CG-CG2 4.48Å |
| 26 | S | 92 | Very high | 91.1 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 177.4 | -42.8 | 0 | 0 | 0 | 0 | 111.9 | L28 T29 I30 T44 D66 | S26-L28 PolarHBondContact O-N 3.14Å; S26-T29 PolarHBondContact O-N 3.42Å; S26-I30 VanDerWaalsContact O-CB 3.3Å; S26-I30 WeakPolarHBondContact O-CB 3.31Å; S26-I30 WeakPolarHBondContact O-CD1 3.5Å; S26-I30 VanDerWaalsContact O-CG1 3.23Å; S26-I30 WeakPolarHBondContact O-CG1 2.92Å; S26-I30 PolarHBondContact O-N 2.84Å; S26-T44 PolarHBondContact OG-OG1 2.68Å; S26-D66 WeakPolarHBondContact CA-OD2 3.49Å; S26-D66 WeakPolarHBondContact CB-OD2 3.49Å; S26-D66 PolarHBondContact N-OD1 2.82Å; S26-D66 PolarHBondContact OG-OD1 2.92Å; S26-D66 PolarHBondContact OG-OD2 2.89Å |
| 27 | A | 93.3 | Very high | 89.2 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G24 K25 Q31 F37 A156 | G24-A27 PolarHBondContact O-N 3.43Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.87Å; A27-Q31 WeakPolarHBondContact O-CB 3.31Å; A27-Q31 PolarHBondContact O-N 3.25Å; A27-F37 HydrophobicContact CB-CE2 4.04Å; A27-A156 HydrophobicContact CB-CB 3.65Å |
| 28 | L | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 174 | -73.6 | 170.6 | 0 | 0 | 0 | 111.3 | G24 K25 S26 Q31 F32 V90 V123 N125 A154 A156 V162 F166 | G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.98Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 2.88Å; K25-L28 VanDerWaalsContact O-N 3.13Å; S26-L28 PolarHBondContact O-N 3.14Å; L28-Q31 PolarHBondContact O-N 3.42Å; L28-F32 WeakPolarHBondContact O-CB 3.28Å; L28-F32 PolarHBondContact O-N 2.88Å; L28-V90 HydrophobicContact CD1-CG1 3.77Å; L28-V90 HydrophobicContact CD1-CG2 4.08Å; L28-V123 HydrophobicContact CD1-CG1 4.15Å; L28-N125 HydrophobicContact CD1-CB 4.25Å; L28-A154 HydrophobicContact CD2-CB 4.09Å; L28-A156 HydrophobicContact CD2-CB 3.98Å; L28-A156 HydrophobicContact CG-CB 4.23Å; L28-V162 HydrophobicContact CD2-CG2 3.89Å; L28-F166 HydrophobicContact CB-CE2 4.49Å |
| 29 | T | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -52.1 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | K25 S26 Q31 F32 I33 Y49 I64 D66 | K25-T29 PolarHBondContact O-N 3.25Å; K25-T29 PolarHBondContact O-OG1 2.82Å; K25-T29 VanDerWaalsContact O-OG1 3.13Å; S26-T29 PolarHBondContact O-N 3.42Å; T29-Q31 PolarHBondContact O-N 3.06Å; T29-F32 WeakPolarHBondContact O-CB 3.49Å; T29-F32 PolarHBondContact O-N 2.86Å; T29-F32 VanDerWaalsContact O-N 3.16Å; T29-I33 HydrophobicContact CG2-CG1 4.34Å; T29-I33 VanDerWaalsContact O-CG1 3.28Å; T29-I33 WeakPolarHBondContact O-CG1 3.26Å; T29-I33 PolarHBondContact O-N 3.49Å; T29-Y49 HydrophobicContact CG2-CD2 3.5Å; T29-Y49 VanDerWaalsContact CG2-CD2 3.5Å; T29-Y49 HydrophobicContact CG2-CE2 3.93Å; T29-Y49 HydrophobicContact CG2-CG 4.05Å; T29-I64 HydrophobicContact CG2-CG2 3.91Å; T29-D66 HydrophobicContact CG2-CB 4.41Å |
| 30 | I | 91.8 | Very high | 84.3 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | -179.6 | -67 | 164.1 | 0 | 0 | 0 | 110.8 | S26 F32 I33 Q34 V38 Y41 | S26-I30 VanDerWaalsContact O-CB 3.3Å; S26-I30 WeakPolarHBondContact O-CB 3.31Å; S26-I30 WeakPolarHBondContact O-CD1 3.5Å; S26-I30 VanDerWaalsContact O-CG1 3.23Å; S26-I30 WeakPolarHBondContact O-CG1 2.92Å; S26-I30 PolarHBondContact O-N 2.84Å; I30-F32 PolarHBondContact O-N 2.97Å; I30-I33 PolarHBondContact O-N 3.39Å; I30-Q34 HydrophobicContact CG2-CB 4.46Å; I30-Q34 HydrophobicContact CG2-CG 4.38Å; I30-Q34 WeakPolarHBondContact O-CB 3.38Å; I30-Q34 PolarHBondContact O-N 3Å; I30-V38 HydrophobicContact CG2-CG2 4.26Å; I30-Y41 HydrophobicContact CD1-CD2 3.69Å; I30-Y41 HydrophobicContact CD1-CE2 3.21Å |
| 31 | Q | 93.7 | Very high | 82.7 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 177.3 | -175.9 | 70.4 | -59.9 | 0 | 0 | 111.2 | A27 L28 T29 S35 Y36 A156 R159 V162 | A27-Q31 WeakPolarHBondContact O-CB 3.31Å; A27-Q31 PolarHBondContact O-N 3.25Å; L28-Q31 PolarHBondContact O-N 3.42Å; T29-Q31 PolarHBondContact O-N 3.06Å; Q31-S35 WeakPolarHBondContact O-CA 3.49Å; Q31-S35 PolarHBondContact O-N 3.16Å; Q31-S35 VanDerWaalsContact O-N 3.12Å; Q31-S35 VanDerWaalsContact OE1-C 3.25Å; Q31-Y36 VanDerWaalsContact OE1-CA 3.31Å; Q31-Y36 PolarHBondContact OE1-O 3.1Å; Q31-Y36 VanDerWaalsContact OE1-O 3.13Å; Q31-A156 WeakPolarHBondContact CG-O 3.36Å; Q31-A156 PolarHBondContact NE2-O 3.07Å; Q31-R159 HydrophobicContact CG-CB 4.18Å; Q31-R159 HydrophobicContact CG-CG 3.89Å; Q31-V162 HydrophobicContact CB-CG1 4.25Å; Q31-V162 HydrophobicContact CG-CG1 4.2Å; Q31-V162 HydrophobicContact CG-CG2 4.18Å |
| 32 | F | 94.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | 174.1 | -178.5 | -119.3 | 0 | 0 | 0 | 112.3 | L28 T29 I30 K51 L62 I64 V162 D163 F166 H167 | L28-F32 WeakPolarHBondContact O-CB 3.28Å; L28-F32 PolarHBondContact O-N 2.88Å; T29-F32 WeakPolarHBondContact O-CB 3.49Å; T29-F32 PolarHBondContact O-N 2.86Å; T29-F32 VanDerWaalsContact O-N 3.16Å; I30-F32 PolarHBondContact O-N 2.97Å; F32-K51 HydrophobicContact CD1-CD 3.86Å; F32-K51 VanDerWaalsContact CD2-NZ 3.28Å; F32-K51 HydrophobicContact CE1-CB 4.47Å; F32-K51 HydrophobicContact CE1-CD 3.49Å; F32-K51 VanDerWaalsContact CE1-CD 3.49Å; F32-K51 HydrophobicContact CE2-CD 4.2Å; F32-K51 HydrophobicContact CG-CD 4.38Å; F32-K51 HydrophobicContact CZ-CD 3.67Å; F32-K51 PolarHBondContact O-NZ 3.3Å; F32-L62 HydrophobicContact CE1-CD1 3.74Å; F32-L62 HydrophobicContact CZ-CD1 3.77Å; F32-I64 HydrophobicContact CD1-CD1 3.63Å; F32-I64 HydrophobicContact CE1-CD1 3.72Å; F32-V162 HydrophobicContact CB-CG1 3.82Å; F32-D163 HydrophobicContact CD2-CB 4.33Å; F32-D163 WeakPolarHBondContact CD2-OD1 3.41Å; F32-D163 HydrophobicContact CE2-CB 4.27Å; F32-F166 HydrophobicContact CB-CD2 3.75Å; F32-F166 HydrophobicContact CB-CE2 3.61Å; F32-F166 HydrophobicContact CB-CZ 4.37Å; F32-F166 HydrophobicContact CD1-CB 4.21Å; F32-F166 HydrophobicContact CD1-CD1 4.14Å; F32-F166 AromaticContact CD1-CD2 3.71Å; F32-F166 HydrophobicContact CD1-CD2 3.71Å; F32-F166 HydrophobicContact CD1-CE1 4.46Å; F32-F166 HydrophobicContact CD1-CE2 4.09Å; F32-F166 AromaticContact CD1-CG 3.75Å; F32-F166 HydrophobicContact CD1-CG 3.75Å; F32-F166 HydrophobicContact CD1-CZ 4.45Å; F32-F166 HydrophobicContact CD2-CB 4.28Å; F32-F166 AromaticContact CD2-CD2 3.77Å; F32-F166 HydrophobicContact CD2-CD2 3.77Å; F32-F166 HydrophobicContact CD2-CE2 4.5Å; F32-F166 HydrophobicContact CD2-CG 4.25Å; F32-F166 HydrophobicContact CE1-CB 3.78Å; F32-F166 HydrophobicContact CE1-CD1 4.21Å; F32-F166 HydrophobicContact CE1-CD2 4.18Å; F32-F166 AromaticContact CE1-CG 3.8Å; F32-F166 HydrophobicContact CE1-CG 3.8Å; F32-F166 HydrophobicContact CE2-CB 3.88Å; F32-F166 HydrophobicContact CE2-CD2 4.25Å; F32-F166 HydrophobicContact CE2-CG 4.31Å; F32-F166 HydrophobicContact CG-CB 4.43Å; F32-F166 AromaticContact CG-CD2 3.46Å; F32-F166 HydrophobicContact CG-CD2 3.46Å; F32-F166 VanDerWaalsContact CG-CD2 3.46Å; F32-F166 AromaticContact CG-CE2 3.84Å; F32-F166 HydrophobicContact CG-CE2 3.84Å; F32-F166 AromaticContact CG-CG 3.97Å; F32-F166 HydrophobicContact CG-CG 3.97Å; F32-F166 HydrophobicContact CZ-CB 3.61Å; F32-F166 HydrophobicContact CZ-CD2 4.44Å; F32-F166 HydrophobicContact CZ-CG 4.1Å; F32-H167 AromaticContact CE2-NE2 3.86Å |
| 33 | I | 90 | Very high | 79.9 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.9 | -52.1 | -177.1 | -62.1 | -61.9 | 0 | 0 | 0 | 111.9 | T29 I30 Y49 K51 I64 | T29-I33 HydrophobicContact CG2-CG1 4.34Å; T29-I33 VanDerWaalsContact O-CG1 3.28Å; T29-I33 WeakPolarHBondContact O-CG1 3.26Å; T29-I33 PolarHBondContact O-N 3.49Å; I30-I33 PolarHBondContact O-N 3.39Å; I33-Y49 HydrophobicContact CG1-CD1 4.31Å; I33-Y49 HydrophobicContact CG1-CG 4.21Å; I33-K51 HydrophobicContact CD1-CB 3.59Å; I33-K51 HydrophobicContact CD1-CD 4.2Å; I33-K51 HydrophobicContact CD1-CG 4.38Å; I33-I64 HydrophobicContact CD1-CD1 3.94Å |
| 34 | Q | 82.9 | Confident | 78.2 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -100.8 | -9.7 | -165.4 | -59.7 | -175.7 | 7.3 | 0 | 0 | 113.6 | I30 Y36 | I30-Q34 HydrophobicContact CG2-CB 4.46Å; I30-Q34 HydrophobicContact CG2-CG 4.38Å; I30-Q34 WeakPolarHBondContact O-CB 3.38Å; I30-Q34 PolarHBondContact O-N 3Å; Q34-Y36 PolarHBondContact O-N 3.35Å |
| 35 | S | 77.6 | Confident | 76.8 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 57.5 | 23.9 | -173.7 | -63.2 | 0 | 0 | 0 | 0 | 114 | Q31 R159 | Q31-S35 WeakPolarHBondContact O-CA 3.49Å; Q31-S35 PolarHBondContact O-N 3.16Å; Q31-S35 VanDerWaalsContact O-N 3.12Å; Q31-S35 VanDerWaalsContact OE1-C 3.25Å; S35-R159 PolarHBondContact OG-NH1 3.37Å; S35-R159 PolarHBondContact OG-NH2 2.78Å |
| 36 | Y | 70.1 | Confident | 75.5 | Confident | 153 Ų | 153 | 66.3 Ų | 66.3 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | trans | -135.6 | 145.5 | 177.5 | -179 | -97.3 | 0 | 0 | 0 | 110.8 | Q31 Q34 V38 | Q31-Y36 VanDerWaalsContact OE1-CA 3.31Å; Q31-Y36 PolarHBondContact OE1-O 3.1Å; Q31-Y36 VanDerWaalsContact OE1-O 3.13Å; Q34-Y36 PolarHBondContact O-N 3.35Å; Y36-V38 HydrophobicContact CD1-CG2 3.9Å; Y36-V38 HydrophobicContact CE1-CG2 4.01Å | ||
| 37 | F | 58.4 | Low | 75 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | trans | -102 | 120.6 | 178.2 | -178.2 | -100 | 0 | 0 | 0 | 110.6 | A27 T39 A156 K157 | A27-F37 HydrophobicContact CB-CE2 4.04Å; F37-T39 HydrophobicContact CD1-CG2 4.03Å; F37-T39 HydrophobicContact CE1-CG2 3.78Å; F37-A156 HydrophobicContact CD2-CB 4.28Å; F37-A156 WeakPolarHBondContact CD2-O 3.28Å; F37-A156 HydrophobicContact CE2-CB 4.06Å; F37-K157 HydrophobicContact CE1-CG 4.28Å; F37-K157 HydrophobicContact CE2-CB 4.2Å; F37-K157 HydrophobicContact CZ-CB 4.2Å; F37-K157 HydrophobicContact CZ-CG 4.43Å | ||
| 38 | V | 65.1 | Low | 74.7 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | trans | -94.3 | 120.7 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | I30 Y36 D40 | I30-V38 HydrophobicContact CG2-CG2 4.26Å; Y36-V38 HydrophobicContact CD1-CG2 3.9Å; Y36-V38 HydrophobicContact CE1-CG2 4.01Å; V38-D40 VanDerWaalsContact CG1-O 3.29Å; V38-D40 WeakPolarHBondContact CG1-O 3.37Å | ||
| 39 | T | 57.8 | Low | 74.6 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 66% | 0.663 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -79.3 | -32.2 | 179.1 | 43.2 | 0 | 0 | 0 | 0 | 113.2 | F37 | F37-T39 HydrophobicContact CD1-CG2 4.03Å; F37-T39 HydrophobicContact CE1-CG2 3.78Å |
| 40 | D | 58.5 | Low | 74.5 | Confident | 143 Ų | 143 | 76.7 Ų | 76.7 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -106.1 | 93.9 | -179.9 | -59.3 | -50.9 | 0 | 0 | 0 | 108.8 | V38 | V38-D40 VanDerWaalsContact CG1-O 3.29Å; V38-D40 WeakPolarHBondContact CG1-O 3.37Å |
| 41 | Y | 59 | Low | 74.6 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -117.2 | 128.6 | 177.4 | -160.4 | -94 | 0 | 0 | 0 | 110.7 | I30 T44 D47 | I30-Y41 HydrophobicContact CD1-CD2 3.69Å; I30-Y41 HydrophobicContact CD1-CE2 3.21Å; Y41-T44 VanDerWaalsContact CE1-OG1 3.31Å; Y41-T44 WeakPolarHBondContact CE1-OG1 3.37Å; Y41-D47 PolarHBondContact OH-OD2 2.82Å | ||
| 42 | D | 59.7 | Low | 74.6 | Confident | 135 Ų | 135 | 83.6 Ų | 83.6 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | trans | -72.9 | 131.8 | 175.1 | -161.8 | -6.2 | 0 | 0 | 0 | 108.9 | T44 | D42-T44 PolarHBondContact O-N 2.73Å; D42-T44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | P | 60.3 | Low | 74.5 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | trans | -42.3 | 121 | 177.2 | -34 | 35.1 | 0 | 0 | 0 | 114.2 | ||||
| 44 | T | 59.6 | Low | 74.7 | Confident | 24 Ų | 24 | 87 Ų | 87 | 15% | 0.147 | 46% | 0.462 | C | S | . | . | trans | -62.8 | 137.4 | -177.9 | -38.6 | 0 | 0 | 0 | 0 | 111.5 | S26 Y41 D42 D47 A68 | S26-T44 PolarHBondContact OG-OG1 2.68Å; Y41-T44 VanDerWaalsContact CE1-OG1 3.31Å; Y41-T44 WeakPolarHBondContact CE1-OG1 3.37Å; D42-T44 PolarHBondContact O-N 2.73Å; D42-T44 VanDerWaalsContact O-N 3.13Å; T44-D47 HydrophobicContact CG2-CB 4.49Å; T44-A68 WeakPolarHBondContact O-CB 3.25Å | ||
| 45 | I | 64.3 | Low | 75.3 | Confident | 153 Ų | 153 | 81.8 Ų | 81.8 | 79% | 0.785 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -87.9 | -60.1 | 167.5 | -60.8 | 176.7 | 0 | 0 | 0 | 109.2 | A68 | I45-A68 VanDerWaalsContact O-CB 3.26Å; I45-A68 WeakPolarHBondContact O-CB 3.27Å |
| 46 | E | 66.8 | Low | 76.1 | Confident | 77 Ų | 77 | 82.5 Ų | 82.5 | 36% | 0.36 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | 130.1 | 166.7 | -177 | -179.1 | 80.8 | 0 | 0 | 106 | L65 | E46-L65 HydrophobicContact CG-CD1 3.66Å; E46-L65 HydrophobicContact CG-CG 4.26Å |
| 47 | D | 82.9 | Confident | 77.1 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 34% | 0.337 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.6 | 179.7 | -77.3 | -47.9 | 0 | 0 | 0 | 111.7 | Y41 T44 Y49 D66 | Y41-D47 PolarHBondContact OH-OD2 2.82Å; T44-D47 HydrophobicContact CG2-CB 4.49Å; D47-Y49 HydrophobicContact CB-CD2 4.3Å; D47-Y49 HydrophobicContact CB-CE2 3.41Å; D47-Y49 VanDerWaalsContact CB-CE2 3.41Å; D47-Y49 PolarHBondContact OD2-OH 3.03Å; D47-D66 PolarHBondContact N-O 2.99Å; D47-D66 PolarHBondContact O-N 2.8Å |
| 48 | S | 87.2 | Confident | 78.8 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.6 | 175.5 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | I64 | S48-I64 WeakPolarHBondContact CA-O 3.43Å |
| 49 | Y | 91.8 | Very high | 80.1 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 16% | 0.161 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.6 | -179.2 | -59.3 | -89.2 | 0 | 0 | 0 | 110.4 | T29 I33 D47 D63 I64 D66 | T29-Y49 HydrophobicContact CG2-CD2 3.5Å; T29-Y49 VanDerWaalsContact CG2-CD2 3.5Å; T29-Y49 HydrophobicContact CG2-CE2 3.93Å; T29-Y49 HydrophobicContact CG2-CG 4.05Å; I33-Y49 HydrophobicContact CG1-CD1 4.31Å; I33-Y49 HydrophobicContact CG1-CG 4.21Å; D47-Y49 HydrophobicContact CB-CD2 4.3Å; D47-Y49 HydrophobicContact CB-CE2 3.41Å; D47-Y49 VanDerWaalsContact CB-CE2 3.41Å; D47-Y49 PolarHBondContact OD2-OH 3.03Å; Y49-D63 CarbonylContact O-C 3.54Å; Y49-I64 PolarHBondContact N-O 3.48Å; Y49-I64 PolarHBondContact O-N 2.67Å; Y49-D66 HydrophobicContact CD2-CB 4.46Å; Y49-D66 HydrophobicContact CE2-CB 4.08Å |
| 50 | T | 93.6 | Very high | 82 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.1 | 171.5 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | R61 L62 D63 | T50-R61 HydrophobicContact CG2-CG 3.9Å; T50-L62 CarbonylContact C-O 3.47Å; T50-L62 VanDerWaalsContact CA-O 3.27Å; T50-L62 WeakPolarHBondContact CA-O 3.5Å; T50-D63 PolarHBondContact OG1-OD1 2.8Å; T50-D63 VanDerWaalsContact OG1-OD1 3.07Å |
| 51 | K | 92.9 | Very high | 83.7 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 17% | 0.17 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.8 | 170.1 | -170.8 | 173.9 | 176.2 | -178.2 | 0 | 110.7 | F32 I33 L62 D163 | F32-K51 HydrophobicContact CD1-CD 3.86Å; F32-K51 VanDerWaalsContact CD2-NZ 3.28Å; F32-K51 HydrophobicContact CE1-CB 4.47Å; F32-K51 HydrophobicContact CE1-CD 3.49Å; F32-K51 VanDerWaalsContact CE1-CD 3.49Å; F32-K51 HydrophobicContact CE2-CD 4.2Å; F32-K51 HydrophobicContact CG-CD 4.38Å; F32-K51 HydrophobicContact CZ-CD 3.67Å; F32-K51 PolarHBondContact O-NZ 3.3Å; I33-K51 HydrophobicContact CD1-CB 3.59Å; I33-K51 HydrophobicContact CD1-CD 4.2Å; I33-K51 HydrophobicContact CD1-CG 4.38Å; K51-L62 PolarHBondContact N-O 3.34Å; K51-L62 PolarHBondContact O-N 3.44Å; K51-D163 IonicContact NZ-OD1 3.1Å |
| 52 | Q | 93.6 | Very high | 85.6 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.2 | 166.5 | -66 | -177.2 | -19.1 | 0 | 0 | 108.6 | A60 | Q52-A60 WeakPolarHBondContact CA-O 3.41Å |
| 53 | C | 93.2 | Very high | 87.3 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 176.1 | 176.9 | 60 | 0 | 0 | 0 | 0 | 110.7 | A60 | C53-A60 PolarHBondContact N-O 3.24Å; C53-A60 PolarHBondContact O-N 3.42Å |
| 54 | V | 94 | Very high | 89 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.7 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | ||
| 55 | I | 94.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.8 | 179.5 | -59.5 | 170.8 | 0 | 0 | 0 | 107.1 | E57 R58 A60 L62 H167 V170 R174 | I55-E57 VanDerWaalsContact C-N 3.34Å; I55-E57 PolarHBondContact O-N 2.88Å; I55-R58 PolarHBondContact N-O 3.34Å; I55-R58 PolarHBondContact O-N 3.21Å; I55-R58 VanDerWaalsContact O-N 3.15Å; I55-A60 HydrophobicContact CD1-CB 4.15Å; I55-A60 HydrophobicContact CG1-CB 4.49Å; I55-L62 HydrophobicContact CD1-CD1 4.26Å; I55-L62 HydrophobicContact CD1-CD2 4.38Å; I55-H167 HydrophobicContact CD1-CB 4.48Å; I55-H167 HydrophobicContact CG2-CB 4.2Å; I55-V170 HydrophobicContact CD1-CB 3.82Å; I55-V170 HydrophobicContact CD1-CG1 3.87Å; I55-V170 HydrophobicContact CD1-CG2 3.7Å; I55-V170 HydrophobicContact CG2-CG1 4.42Å; I55-R174 PolarHBondContact O-NH1 2.9Å |
| 56 | D | 93.5 | Very high | 92 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 52.5 | -175.6 | -48.3 | -33.4 | 0 | 0 | 0 | 111.7 | R58 R171 | D56-R58 PolarHBondContact O-N 3.18Å; D56-R171 IonicContact OD1-CZ 3.75Å; D56-R171 IonicContact OD1-NE 3.54Å; D56-R171 PolarHBondContact OD1-NE 3.37Å; D56-R171 IonicContact OD1-NH2 3.89Å; D56-R171 PolarHBondContact OD1-NH2 3.38Å; D56-R171 WeakPolarHBondContact OD2-CD 3.37Å; D56-R171 VanDerWaalsContact OD2-CG 3.29Å; D56-R171 WeakPolarHBondContact OD2-CG 3.36Å; D56-R171 IonicContact OD2-CZ 3.45Å; D56-R171 IonicContact OD2-NE 2.89Å; D56-R171 PolarHBondContact OD2-NE 3.35Å; D56-R171 IonicContact OD2-NH2 3.96Å |
| 57 | E | 92.6 | Very high | 93 | Very high | 188 Ų | 188 | 54.7 Ų | 54.7 | 88% | 0.879 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 2.8 | -179.9 | -54.3 | -178.6 | 163.7 | 0 | 0 | 115.6 | I55 | I55-E57 VanDerWaalsContact C-N 3.34Å; I55-E57 PolarHBondContact O-N 2.88Å |
| 58 | R | 93.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 52.4 Ų | 52.4 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.1 | 177.9 | -64.2 | -177.6 | -169.3 | -179 | 5.7 | 111.2 | I55 D56 A60 R174 | I55-R58 PolarHBondContact N-O 3.34Å; I55-R58 PolarHBondContact O-N 3.21Å; I55-R58 VanDerWaalsContact O-N 3.15Å; D56-R58 PolarHBondContact O-N 3.18Å; R58-A60 PolarHBondContact O-N 3.5Å; R58-R174 VanDerWaalsContact CB-NH2 3.34Å |
| 59 | P | 93.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 131.8 | 172.3 | -22.6 | 32.9 | 0 | 0 | 0 | 111.5 | ||
| 60 | A | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y13 Q52 C53 I55 R58 L62 | Y13-A60 HydrophobicContact CD2-CB 4.04Å; Y13-A60 HydrophobicContact CE2-CB 3.82Å; Q52-A60 WeakPolarHBondContact CA-O 3.41Å; C53-A60 PolarHBondContact N-O 3.24Å; C53-A60 PolarHBondContact O-N 3.42Å; I55-A60 HydrophobicContact CD1-CB 4.15Å; I55-A60 HydrophobicContact CG1-CB 4.49Å; R58-A60 PolarHBondContact O-N 3.5Å; A60-L62 HydrophobicContact CB-CD2 4.15Å |
| 61 | R | 96.1 | Very high | 88.3 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | 166.3 | 177.9 | 178 | 171 | 161.7 | 5.7 | 108.9 | Q10 E11 K12 Y13 T50 D63 | Q10-R61 HydrophobicContact CG-CB 3.8Å; E11-R61 PolarHBondContact O-N 2.92Å; K12-R61 CarbonylContact C-O 3.57Å; K12-R61 WeakPolarHBondContact CA-O 3.27Å; Y13-R61 PolarHBondContact N-O 3.3Å; T50-R61 HydrophobicContact CG2-CG 3.9Å; R61-D63 IonicContact CZ-OD1 3.78Å; R61-D63 IonicContact NE-OD1 3.06Å; R61-D63 PolarHBondContact NE-OD1 2.93Å; R61-D63 IonicContact NH2-OD1 3.63Å |
| 62 | L | 97.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115 | 177.8 | -47.6 | -175.2 | 0 | 0 | 0 | 108.2 | Y13 L15 F32 T50 K51 I55 A60 I64 V170 | Y13-L62 HydrophobicContact CD2-CD2 3.76Å; Y13-L62 HydrophobicContact CG-CD2 4.25Å; L15-L62 HydrophobicContact CD1-CB 4.29Å; L15-L62 HydrophobicContact CD1-CD1 4.14Å; L15-L62 HydrophobicContact CD1-CD2 4.29Å; L15-L62 HydrophobicContact CD1-CG 4.47Å; F32-L62 HydrophobicContact CE1-CD1 3.74Å; F32-L62 HydrophobicContact CZ-CD1 3.77Å; T50-L62 CarbonylContact C-O 3.47Å; T50-L62 VanDerWaalsContact CA-O 3.27Å; T50-L62 WeakPolarHBondContact CA-O 3.5Å; K51-L62 PolarHBondContact N-O 3.34Å; K51-L62 PolarHBondContact O-N 3.44Å; I55-L62 HydrophobicContact CD1-CD1 4.26Å; I55-L62 HydrophobicContact CD1-CD2 4.38Å; A60-L62 HydrophobicContact CB-CD2 4.15Å; L62-I64 HydrophobicContact CB-CD1 4.38Å; L62-I64 HydrophobicContact CB-CG1 4.08Å; L62-V170 HydrophobicContact CD1-CG2 4.37Å; L62-V170 HydrophobicContact CD2-CG2 3.49Å; L62-V170 VanDerWaalsContact CD2-CG2 3.49Å |
| 63 | D | 96.6 | Very high | 84.9 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108 | 165.6 | -75.7 | 5.7 | 0 | 0 | 0 | 106.5 | K12 Y13 R14 L15 Y49 T50 R61 | K12-D63 WeakPolarHBondContact CE-OD2 3.42Å; K12-D63 IonicContact NZ-OD2 2.7Å; K12-D63 PolarHBondContact NZ-OD2 3.33Å; Y13-D63 PolarHBondContact O-N 2.7Å; R14-D63 CarbonylContact C-O 3.55Å; R14-D63 WeakPolarHBondContact CA-O 3.19Å; L15-D63 PolarHBondContact N-O 2.99Å; Y49-D63 CarbonylContact O-C 3.54Å; T50-D63 PolarHBondContact OG1-OD1 2.8Å; T50-D63 VanDerWaalsContact OG1-OD1 3.07Å; R61-D63 IonicContact CZ-OD1 3.78Å; R61-D63 IonicContact NE-OD1 3.06Å; R61-D63 PolarHBondContact NE-OD1 2.93Å; R61-D63 IonicContact NH2-OD1 3.63Å |
| 64 | I | 96.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.8 | -172.4 | -50.1 | 178 | 0 | 0 | 0 | 108.5 | L15 V17 T29 F32 I33 S48 Y49 L62 F166 | L15-I64 HydrophobicContact CB-CG1 4.43Å; L15-I64 HydrophobicContact CD1-CG1 4.48Å; L15-I64 CarbonylContact O-C 3.48Å; L15-I64 WeakPolarHBondContact O-CA 3.34Å; V17-I64 HydrophobicContact CG2-CG2 3.93Å; T29-I64 HydrophobicContact CG2-CG2 3.91Å; F32-I64 HydrophobicContact CD1-CD1 3.63Å; F32-I64 HydrophobicContact CE1-CD1 3.72Å; I33-I64 HydrophobicContact CD1-CD1 3.94Å; S48-I64 WeakPolarHBondContact CA-O 3.43Å; Y49-I64 PolarHBondContact N-O 3.48Å; Y49-I64 PolarHBondContact O-N 2.67Å; L62-I64 HydrophobicContact CB-CD1 4.38Å; L62-I64 HydrophobicContact CB-CG1 4.08Å; I64-F166 HydrophobicContact CD1-CD1 4.03Å; I64-F166 HydrophobicContact CD1-CE1 3.96Å; I64-F166 HydrophobicContact CG2-CE1 4.02Å |
| 65 | L | 94.3 | Very high | 81.9 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.6 | 170.4 | -171 | 70.1 | 0 | 0 | 0 | 109.6 | L15 V16 V17 E46 T67 Y80 | L15-L65 PolarHBondContact O-N 3.42Å; V16-L65 HydrophobicContact CG1-CB 4.33Å; V16-L65 HydrophobicContact CG1-CD2 4.24Å; V16-L65 HydrophobicContact CG2-CB 4.33Å; V17-L65 PolarHBondContact N-O 2.97Å; E46-L65 HydrophobicContact CG-CD1 3.66Å; E46-L65 HydrophobicContact CG-CG 4.26Å; L65-T67 HydrophobicContact CD2-CG2 4.39Å; L65-T67 HydrophobicContact CG-CG2 4.47Å; L65-Y80 HydrophobicContact CD2-CD1 4.29Å; L65-Y80 HydrophobicContact CD2-CG 4.03Å |
| 66 | D | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.5 | 170.8 | -176.9 | 42.8 | 0 | 0 | 0 | 109.2 | K25 S26 T29 D47 Y49 | K25-D66 VanDerWaalsContact CB-OD1 3.29Å; K25-D66 WeakPolarHBondContact CB-OD1 3.39Å; S26-D66 WeakPolarHBondContact CA-OD2 3.49Å; S26-D66 WeakPolarHBondContact CB-OD2 3.49Å; S26-D66 PolarHBondContact N-OD1 2.82Å; S26-D66 PolarHBondContact OG-OD1 2.92Å; S26-D66 PolarHBondContact OG-OD2 2.89Å; T29-D66 HydrophobicContact CG2-CB 4.41Å; D47-D66 PolarHBondContact N-O 2.99Å; D47-D66 PolarHBondContact O-N 2.8Å; Y49-D66 HydrophobicContact CD2-CB 4.46Å; Y49-D66 HydrophobicContact CE2-CB 4.08Å |
| 67 | T | 87.8 | Confident | 80 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 153.7 | -176.8 | 78.2 | 0 | 0 | 0 | 0 | 111 | V16 V17 V18 K25 L65 E72 Y80 | V16-T67 HydrophobicContact CG1-CG2 3.78Å; V17-T67 WeakPolarHBondContact O-CG2 3.5Å; V17-T67 PolarHBondContact O-OG1 3.13Å; V18-T67 HydrophobicContact CG1-CG2 4.2Å; K25-T67 WeakPolarHBondContact CE-O 3.29Å; L65-T67 HydrophobicContact CD2-CG2 4.39Å; L65-T67 HydrophobicContact CG-CG2 4.47Å; T67-E72 WeakPolarHBondContact CB-OE1 3.3Å; T67-Y80 HydrophobicContact CG2-CD1 4.11Å; T67-Y80 HydrophobicContact CG2-CE1 3.9Å; T67-Y80 HydrophobicContact CG2-CE2 4.42Å; T67-Y80 HydrophobicContact CG2-CG 4.45Å |
| 68 | A | 78.1 | Confident | 79.5 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | trans | -61.1 | 143.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T44 I45 Q70 E72 | T44-A68 WeakPolarHBondContact O-CB 3.25Å; I45-A68 VanDerWaalsContact O-CB 3.26Å; I45-A68 WeakPolarHBondContact O-CB 3.27Å; A68-Q70 PolarHBondContact O-N 2.77Å; A68-E72 WeakPolarHBondContact CA-OE1 3.21Å; A68-E72 HydrophobicContact CB-CG 4.11Å; A68-E72 WeakPolarHBondContact CB-OE1 3.39Å; A68-E72 PolarHBondContact N-OE1 2.92Å | ||
| 69 | G | 62.1 | Low | 79.2 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -82.5 | 1.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G19 G20 G21 K25 | G19-G69 WeakPolarHBondContact O-CA 3.47Å; G20-G69 CarbonylContact C-O 3.59Å; G21-G69 PolarHBondContact N-O 2.95Å; K25-G69 VanDerWaalsContact NZ-N 3.2Å |
| 70 | Q | 59.4 | Low | 79 | Confident | 159 Ų | 159 | 57 Ų | 57 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -90.3 | 164.6 | 175.3 | -73.9 | -173.3 | -12.2 | 0 | 0 | 110.2 | A68 E72 | A68-Q70 PolarHBondContact O-N 2.77Å; Q70-E72 PolarHBondContact O-N 3.35Å |
| 71 | E | 58.1 | Low | 78.8 | Confident | 178 Ų | 178 | 57.1 Ų | 57.1 | 83% | 0.832 | 30% | 0.296 | S | S | * | . | trans | -65.4 | 80.3 | 177.8 | -65.6 | -165.9 | 148.2 | 0 | 0 | 111.6 | F73 | E71-F73 PolarHBondContact O-N 3.19Š| ||
| 72 | E | 55.3 | Low | 78.7 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | trans | -54.3 | 139 | 168.3 | -69.9 | 172.9 | -164.7 | 0 | 0 | 109.6 | T67 A68 Q70 G74 M76 Y80 | T67-E72 WeakPolarHBondContact CB-OE1 3.3Å; A68-E72 WeakPolarHBondContact CA-OE1 3.21Å; A68-E72 HydrophobicContact CB-CG 4.11Å; A68-E72 WeakPolarHBondContact CB-OE1 3.39Å; A68-E72 PolarHBondContact N-OE1 2.92Å; Q70-E72 PolarHBondContact O-N 3.35Å; E72-G74 PolarHBondContact O-N 2.93Å; E72-M76 HydrophobicContact CB-CE 4.45Å; E72-Y80 VanDerWaalsContact OE2-CE1 3.31Å; E72-Y80 WeakPolarHBondContact OE2-CE1 2.9Å | ||
| 73 | F | 59 | Low | 78.5 | Confident | 173 Ų | 173 | 63 Ų | 63 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | trans | -46.4 | 130.4 | 175.4 | -70.4 | -89.3 | 0 | 0 | 0 | 110.3 | E71 A75 M76 R77 | E71-F73 PolarHBondContact O-N 3.19Å; F73-A75 PolarHBondContact O-N 3.31Å; F73-M76 HydrophobicContact CB-CE 4.48Å; F73-M76 HydrophobicContact CD2-CE 4.32Å; F73-M76 PolarHBondContact O-N 3.49Å; F73-R77 PolarHBondContact O-N 3.35Å | ||
| 74 | G | 62.4 | Low | 78.5 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -50.6 | -28.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E72 E78 | E72-G74 PolarHBondContact O-N 2.93Å; G74-E78 WeakPolarHBondContact O-CG 3.46Å; G74-E78 PolarHBondContact O-N 3.44Å |
| 75 | A | 63 | Low | 78.6 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.4 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | F73 R77 Q79 | F73-A75 PolarHBondContact O-N 3.31Å; A75-R77 VanDerWaalsContact C-N 3.34Å; A75-Q79 PolarHBondContact O-N 2.99Å |
| 76 | M | 68.8 | Low | 78.8 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -40 | 177 | -64.6 | -165.5 | -63.1 | 0 | 0 | 110.3 | E72 F73 E78 Q79 Y80 | E72-M76 HydrophobicContact CB-CE 4.45Å; F73-M76 HydrophobicContact CB-CE 4.48Å; F73-M76 HydrophobicContact CD2-CE 4.32Å; F73-M76 PolarHBondContact O-N 3.49Å; M76-E78 PolarHBondContact O-N 2.91Å; M76-Q79 WeakPolarHBondContact O-CB 3.19Å; M76-Q79 PolarHBondContact O-N 3.47Å; M76-Q79 VanDerWaalsContact O-N 3.13Å; M76-Y80 WeakPolarHBondContact O-CD1 3.43Å; M76-Y80 PolarHBondContact O-N 3.21Å |
| 77 | R | 78.1 | Confident | 79.1 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 15% | 0.151 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 174.1 | 178.7 | 170.7 | -61.3 | 162.6 | -2.1 | 113.4 | F73 A75 Q79 Y80 M81 | F73-R77 PolarHBondContact O-N 3.35Å; A75-R77 VanDerWaalsContact C-N 3.34Å; R77-Q79 VanDerWaalsContact C-N 3.27Å; R77-Q79 PolarHBondContact O-N 3.25Å; R77-Y80 HydrophobicContact CB-CE1 4.16Å; R77-Y80 HydrophobicContact CG-CE1 4.34Å; R77-Y80 WeakPolarHBondContact CG-OH 3.48Å; R77-M81 HydrophobicContact CG-CE 3.61Å; R77-M81 HydrophobicContact CG-SD 4.03Å; R77-M81 WeakPolarHBondContact O-CB 3.43Å; R77-M81 VanDerWaalsContact O-CG 3.28Å; R77-M81 WeakPolarHBondContact O-CG 3.43Å; R77-M81 PolarHBondContact O-N 3.21Å |
| 78 | E | 83.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 178.1 | -77.5 | -176.8 | -161.7 | 0 | 0 | 112.6 | G74 M76 M81 R82 V112 | G74-E78 WeakPolarHBondContact O-CG 3.46Å; G74-E78 PolarHBondContact O-N 3.44Å; M76-E78 PolarHBondContact O-N 2.91Å; E78-M81 PolarHBondContact O-N 3Å; E78-R82 VanDerWaalsContact O-CB 3.26Å; E78-R82 WeakPolarHBondContact O-CB 3.29Å; E78-R82 PolarHBondContact O-N 3.29Å; E78-R82 IonicContact OE2-NH2 3.62Å; E78-V112 HydrophobicContact CG-CG2 4.31Å |
| 79 | Q | 86.9 | Confident | 80.6 | Confident | 127 Ų | 127 | 61.6 Ų | 61.6 | 59% | 0.593 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.9 | -54.4 | -178.7 | -176.9 | 177.6 | -59.1 | 0 | 0 | 111.5 | A75 M76 R77 M81 R82 T83 | A75-Q79 PolarHBondContact O-N 2.99Å; M76-Q79 WeakPolarHBondContact O-CB 3.19Å; M76-Q79 PolarHBondContact O-N 3.47Å; M76-Q79 VanDerWaalsContact O-N 3.13Å; R77-Q79 VanDerWaalsContact C-N 3.27Å; R77-Q79 PolarHBondContact O-N 3.25Å; Q79-M81 VanDerWaalsContact C-N 3.29Å; Q79-M81 PolarHBondContact O-N 3.49Å; Q79-R82 WeakPolarHBondContact O-CB 3.26Å; Q79-R82 PolarHBondContact O-N 2.84Å; Q79-R82 VanDerWaalsContact O-N 3.15Å; Q79-T83 PolarHBondContact O-N 2.86Å; Q79-T83 PolarHBondContact O-OG1 2.91Å; Q79-T83 VanDerWaalsContact O-OG1 3.11Å |
| 80 | Y | 88.9 | Confident | 82.3 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -32.9 | -179.2 | 67.1 | -116.3 | 0 | 0 | 0 | 112.1 | V16 V18 L65 T67 E72 M76 R77 R82 T83 G84 F87 | V16-Y80 HydrophobicContact CG1-CD2 3.73Å; V16-Y80 HydrophobicContact CG1-CE2 4.28Å; V16-Y80 HydrophobicContact CG1-CG 4.21Å; V18-Y80 HydrophobicContact CG1-CE2 3.8Å; L65-Y80 HydrophobicContact CD2-CD1 4.29Å; L65-Y80 HydrophobicContact CD2-CG 4.03Å; T67-Y80 HydrophobicContact CG2-CD1 4.11Å; T67-Y80 HydrophobicContact CG2-CE1 3.9Å; T67-Y80 HydrophobicContact CG2-CE2 4.42Å; T67-Y80 HydrophobicContact CG2-CG 4.45Å; E72-Y80 VanDerWaalsContact OE2-CE1 3.31Å; E72-Y80 WeakPolarHBondContact OE2-CE1 2.9Å; M76-Y80 WeakPolarHBondContact O-CD1 3.43Å; M76-Y80 PolarHBondContact O-N 3.21Å; R77-Y80 HydrophobicContact CB-CE1 4.16Å; R77-Y80 HydrophobicContact CG-CE1 4.34Å; R77-Y80 WeakPolarHBondContact CG-OH 3.48Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 2.83Å; Y80-T83 PolarHBondContact O-N 2.86Å; Y80-G84 WeakPolarHBondContact O-CA 3.35Å; Y80-G84 PolarHBondContact O-N 3.18Å; Y80-F87 HydrophobicContact CD2-CE1 4.43Å |
| 81 | M | 92.1 | Very high | 84.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -38 | 174.5 | -72.4 | -177.9 | -179.4 | 0 | 0 | 110.9 | R77 E78 Q79 F87 Q108 I109 V112 K113 | R77-M81 HydrophobicContact CG-CE 3.61Å; R77-M81 HydrophobicContact CG-SD 4.03Å; R77-M81 WeakPolarHBondContact O-CB 3.43Å; R77-M81 VanDerWaalsContact O-CG 3.28Å; R77-M81 WeakPolarHBondContact O-CG 3.43Å; R77-M81 PolarHBondContact O-N 3.21Å; E78-M81 PolarHBondContact O-N 3Å; Q79-M81 VanDerWaalsContact C-N 3.29Å; Q79-M81 PolarHBondContact O-N 3.49Å; M81-F87 HydrophobicContact CG-CE1 4.46Å; M81-Q108 HydrophobicContact CE-CB 3.73Å; M81-Q108 HydrophobicContact SD-CB 3.85Å; M81-I109 HydrophobicContact CE-CG1 4.15Å; M81-I109 HydrophobicContact CG-CG1 4.12Å; M81-I109 HydrophobicContact SD-CG1 4.24Å; M81-V112 HydrophobicContact CB-CB 3.91Å; M81-V112 HydrophobicContact CB-CG1 3.69Å; M81-V112 HydrophobicContact CB-CG2 4.12Å; M81-V112 HydrophobicContact SD-CG2 4.03Å; M81-K113 WeakPolarHBondContact O-CE 3.3Å; M81-K113 PolarHBondContact O-NZ 3.36Å |
| 82 | R | 93.7 | Very high | 86.1 | Confident | 154 Ų | 154 | 44.5 Ų | 44.5 | 58% | 0.581 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.9 | -45.3 | 176.5 | -168.5 | 177.9 | -60.6 | 140.9 | 7.8 | 111.4 | E78 Q79 Y80 V112 K113 | E78-R82 VanDerWaalsContact O-CB 3.26Å; E78-R82 WeakPolarHBondContact O-CB 3.29Å; E78-R82 PolarHBondContact O-N 3.29Å; E78-R82 IonicContact OE2-NH2 3.62Å; Q79-R82 WeakPolarHBondContact O-CB 3.26Å; Q79-R82 PolarHBondContact O-N 2.84Å; Q79-R82 VanDerWaalsContact O-N 3.15Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 2.83Å; R82-V112 HydrophobicContact CB-CG1 4.09Å; R82-K113 PolarHBondContact O-NZ 3.04Å |
| 83 | T | 93.1 | Very high | 88.1 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -86.5 | -21.6 | -173.3 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | R14 Q79 Y80 | R14-T83 PolarHBondContact NE-O 3.4Å; R14-T83 PolarHBondContact NH1-O 2.96Å; Q79-T83 PolarHBondContact O-N 2.86Å; Q79-T83 PolarHBondContact O-OG1 2.91Å; Q79-T83 VanDerWaalsContact O-OG1 3.11Å; Y80-T83 PolarHBondContact O-N 2.86Å |
| 84 | G | 96.6 | Very high | 90 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | -66.4 | 133.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y80 K113 | Y80-G84 WeakPolarHBondContact O-CA 3.35Å; Y80-G84 PolarHBondContact O-N 3.18Å; G84-K113 VanDerWaalsContact O-CE 3.31Å; G84-K113 WeakPolarHBondContact O-CE 3.41Å; G84-K113 PolarHBondContact O-NZ 2.84Å | ||
| 85 | E | 97.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -91.5 | -21.7 | 178 | -74.9 | 160.3 | -172.5 | 0 | 0 | 112.3 | Y13 R14 F118 I173 | Y13-E85 VanDerWaalsContact CA-OE2 3.29Å; Y13-E85 WeakPolarHBondContact CA-OE2 3.26Å; R14-E85 HydrophobicContact CB-CB 4.44Å; R14-E85 HydrophobicContact CB-CG 4.33Å; R14-E85 IonicContact CZ-OE1 3.27Å; R14-E85 VanDerWaalsContact CZ-OE1 3.27Å; R14-E85 PolarHBondContact N-OE2 3.31Å; R14-E85 IonicContact NE-OE1 2.95Å; R14-E85 PolarHBondContact NE-OE1 3.15Å; R14-E85 IonicContact NH2-OE1 2.73Å; R14-E85 PolarHBondContact NH2-OE1 3.43Å; R14-E85 PolarHBondContact O-N 2.73Å; E85-F118 VanDerWaalsContact O-CE1 3.27Å; E85-F118 WeakPolarHBondContact O-CE1 3.47Å; E85-I173 HydrophobicContact CB-CD1 4.35Å; E85-I173 HydrophobicContact CB-CG2 4.46Å; E85-I173 WeakPolarHBondContact O-CG1 3.35Å |
| 86 | G | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 159.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R14 L15 V16 P119 | R14-G86 PolarHBondContact O-N 3.11Å; L15-G86 WeakPolarHBondContact CA-O 3.4Å; V16-G86 PolarHBondContact N-O 2.81Å; G86-P119 WeakPolarHBondContact CA-O 3.31Å |
| 87 | F | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.4 | -172.9 | -56.1 | -97.8 | 0 | 0 | 0 | 112.6 | V16 V18 Y80 M81 L89 I109 F118 P119 M120 I121 | V16-F87 HydrophobicContact CB-CD1 3.68Å; V16-F87 HydrophobicContact CB-CE1 3.83Å; V16-F87 HydrophobicContact CG1-CD1 4.22Å; V16-F87 HydrophobicContact CG1-CE1 4.29Å; V16-F87 HydrophobicContact CG2-CD1 4.28Å; V16-F87 HydrophobicContact CG2-CE1 3.94Å; V16-F87 CarbonylContact O-C 3.57Å; V16-F87 VanDerWaalsContact O-CA 3.3Å; V16-F87 WeakPolarHBondContact O-CA 3.41Å; V18-F87 HydrophobicContact CG1-CD1 4.49Å; Y80-F87 HydrophobicContact CD2-CE1 4.43Å; M81-F87 HydrophobicContact CG-CE1 4.46Å; F87-L89 HydrophobicContact CB-CD2 4.27Å; F87-I109 HydrophobicContact CB-CD1 3.91Å; F87-I109 HydrophobicContact CD1-CD1 3.71Å; F87-I109 HydrophobicContact CD1-CG1 4.07Å; F87-I109 HydrophobicContact CD2-CD1 4.18Å; F87-I109 HydrophobicContact CD2-CG1 4.47Å; F87-I109 HydrophobicContact CD2-CG2 3.71Å; F87-I109 HydrophobicContact CE1-CD1 4.33Å; F87-I109 HydrophobicContact CE1-CG1 4.18Å; F87-I109 HydrophobicContact CE2-CG2 3.6Å; F87-I109 HydrophobicContact CG-CD1 3.65Å; F87-I109 HydrophobicContact CG-CG1 4.25Å; F87-I109 HydrophobicContact CG-CG2 4.31Å; F87-I109 HydrophobicContact CZ-CG1 4.44Å; F87-I109 HydrophobicContact CZ-CG2 4.11Å; F87-F118 AromaticContact CD2-CD1 3.91Å; F87-F118 HydrophobicContact CD2-CD1 3.91Å; F87-F118 HydrophobicContact CD2-CE1 4.08Å; F87-F118 AromaticContact CE2-CD1 3.7Å; F87-F118 HydrophobicContact CE2-CD1 3.7Å; F87-F118 AromaticContact CE2-CE1 3.59Å; F87-F118 HydrophobicContact CE2-CE1 3.59Å; F87-P119 PolarHBondContact N-O 2.96Å; F87-M120 HydrophobicContact CB-CG 4.15Å; F87-M120 HydrophobicContact CD2-CG 4.35Å; F87-M120 VanDerWaalsContact O-CA 3.3Å; F87-M120 WeakPolarHBondContact O-CA 3.31Å; F87-I121 PolarHBondContact O-N 2.89Å |
| 88 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.6 | 161.6 | -78.4 | 91.5 | 0 | 0 | 0 | 108.3 | V16 V17 V18 V90 I121 V123 A165 F166 L169 | V16-L88 PolarHBondContact O-N 3.39Å; V17-L88 HydrophobicContact CG1-CB 4.23Å; V17-L88 HydrophobicContact CG2-CB 4.43Å; V17-L88 HydrophobicContact CG2-CD1 4.4Å; V18-L88 PolarHBondContact N-O 2.87Å; L88-V90 HydrophobicContact CB-CG2 4.16Å; L88-I121 HydrophobicContact CD2-CD1 4.19Å; L88-I121 HydrophobicContact CG-CD1 3.98Å; L88-I121 HydrophobicContact CG-CG1 3.95Å; L88-V123 HydrophobicContact CD2-CG2 4.2Å; L88-A165 HydrophobicContact CD2-CB 4.07Å; L88-F166 HydrophobicContact CD1-CD1 3.79Å; L88-F166 HydrophobicContact CD1-CE1 3.81Å; L88-F166 HydrophobicContact CD2-CD1 4.22Å; L88-F166 HydrophobicContact CD2-CE1 4.01Å; L88-F166 HydrophobicContact CD2-CE2 4.35Å; L88-F166 HydrophobicContact CD2-CG 4.49Å; L88-F166 HydrophobicContact CD2-CZ 4.08Å; L88-L169 HydrophobicContact CD1-CB 4.41Å; L88-L169 HydrophobicContact CD1-CD2 3.25Å; L88-L169 HydrophobicContact CD1-CG 4.45Å; L88-L169 HydrophobicContact CG-CD2 4.11Å |
| 89 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 104.5 | 172.9 | -52 | -176.3 | 0 | 0 | 0 | 108.4 | V18 F87 I102 F105 Q106 I109 M120 I121 L122 V123 | V18-L89 HydrophobicContact CG2-CD2 3.42Å; V18-L89 VanDerWaalsContact CG2-CD2 3.42Å; F87-L89 HydrophobicContact CB-CD2 4.27Å; L89-I102 HydrophobicContact CB-CD1 4.2Å; L89-I102 HydrophobicContact CB-CG2 4.36Å; L89-I102 HydrophobicContact CD1-CG2 4.12Å; L89-F105 HydrophobicContact CD2-CB 4.37Å; L89-Q106 HydrophobicContact CD1-CB 4.14Å; L89-Q106 HydrophobicContact CD1-CG 4.49Å; L89-I109 HydrophobicContact CD2-CD1 3.68Å; L89-M120 HydrophobicContact CD1-SD 4.23Å; L89-I121 PolarHBondContact N-O 2.99Å; L89-L122 HydrophobicContact CB-CD1 4.13Å; L89-V123 PolarHBondContact O-N 2.97Å |
| 90 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127 | -171.8 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | V17 V18 G19 V23 K25 L28 L88 V123 N125 | V17-V90 HydrophobicContact CG1-CG2 3.58Å; V18-V90 PolarHBondContact O-N 3.24Å; G19-V90 WeakPolarHBondContact CA-O 3.29Å; V23-V90 HydrophobicContact CB-CG1 4.4Å; V23-V90 HydrophobicContact CG2-CB 4.16Å; V23-V90 HydrophobicContact CG2-CG1 3.87Å; K25-V90 HydrophobicContact CG-CB 4.24Å; K25-V90 HydrophobicContact CG-CG2 4.48Å; L28-V90 HydrophobicContact CD1-CG1 3.77Å; L28-V90 HydrophobicContact CD1-CG2 4.08Å; L88-V90 HydrophobicContact CB-CG2 4.16Å; V90-V123 WeakPolarHBondContact CA-O 3.37Å; V90-V123 HydrophobicContact CG2-CB 4.39Å; V90-N125 HydrophobicContact CG1-CB 4.01Å |
| 91 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 169.9 | 165.4 | 71.4 | -84 | 0 | 0 | 0 | 110.1 | V93 F99 I102 L122 V123 G124 N125 V135 Y151 | F91-V93 HydrophobicContact CE2-CG1 4.24Å; F91-F99 HydrophobicContact CB-CB 4.43Å; F91-F99 HydrophobicContact CD1-CD2 4.07Å; F91-F99 HydrophobicContact CD2-CB 3.79Å; F91-F99 AromaticContact CD2-CD2 3.84Å; F91-F99 HydrophobicContact CD2-CD2 3.84Å; F91-F99 HydrophobicContact CD2-CG 4.29Å; F91-F99 AromaticContact CE1-CD2 3.88Å; F91-F99 HydrophobicContact CE1-CD2 3.88Å; F91-F99 HydrophobicContact CE1-CE2 4.31Å; F91-F99 HydrophobicContact CE2-CB 4.29Å; F91-F99 AromaticContact CE2-CD2 3.66Å; F91-F99 HydrophobicContact CE2-CD2 3.66Å; F91-F99 HydrophobicContact CE2-CE2 4.43Å; F91-F99 HydrophobicContact CE2-CG 4.36Å; F91-F99 HydrophobicContact CG-CB 4.17Å; F91-F99 HydrophobicContact CG-CD2 4.05Å; F91-F99 AromaticContact CZ-CD2 3.68Å; F91-F99 HydrophobicContact CZ-CD2 3.68Å; F91-F99 HydrophobicContact CZ-CE2 4.09Å; F91-I102 HydrophobicContact CB-CD1 3.98Å; F91-I102 HydrophobicContact CB-CG1 4.03Å; F91-I102 HydrophobicContact CD1-CD1 4.38Å; F91-I102 HydrophobicContact CD1-CG1 4.12Å; F91-I102 HydrophobicContact CG-CG1 4.41Å; F91-L122 HydrophobicContact CD1-CD1 3.76Å; F91-L122 HydrophobicContact CD1-CG 4.36Å; F91-L122 HydrophobicContact CE1-CD1 3.83Å; F91-L122 HydrophobicContact CE1-CD2 4.27Å; F91-L122 HydrophobicContact CE1-CG 3.93Å; F91-V123 WeakPolarHBondContact CD1-O 3.29Å; F91-V123 PolarHBondContact N-O 3.28Å; F91-G124 VanDerWaalsContact CZ-CA 3.49Å; F91-N125 WeakPolarHBondContact O-CB 3.18Å; F91-N125 PolarHBondContact O-N 3.31Å; F91-V135 HydrophobicContact CE2-CB 4.12Å; F91-V135 HydrophobicContact CE2-CG1 3.9Å; F91-V135 HydrophobicContact CE2-CG2 4.4Å; F91-V135 HydrophobicContact CZ-CG1 4.35Å; F91-Y151 AromaticContact CE1-CE2 3.75Å; F91-Y151 HydrophobicContact CE1-CE2 3.75Å; F91-Y151 AromaticContact CZ-CE2 3.76Å; F91-Y151 HydrophobicContact CZ-CE2 3.76Å |
| 92 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.3 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | T94 D95 S98 K126 | S92-T94 PolarHBondContact O-N 2.76Å; S92-T94 PolarHBondContact OG-OG1 3.01Å; S92-D95 PolarHBondContact O-N 2.98Å; S92-S98 PolarHBondContact N-OG 3.01Å; S92-S98 PolarHBondContact O-OG 3.4Å; S92-K126 VanDerWaalsContact OG-CD 3.25Å; S92-K126 WeakPolarHBondContact OG-CD 3.47Å; S92-K126 WeakPolarHBondContact OG-CE 3.45Å |
| 93 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.5 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | F91 N125 K126 Q134 V135 | F91-V93 HydrophobicContact CE2-CG1 4.24Å; V93-N125 PolarHBondContact N-O 2.88Å; V93-K126 WeakPolarHBondContact CG2-O 3.29Å; V93-Q134 PolarHBondContact O-N 2.96Å; V93-V135 PolarHBondContact O-N 3.48Å; V93-V135 VanDerWaalsContact O-N 3.08Å |
| 94 | T | 98.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 5.5 | 177 | 71.6 | 0 | 0 | 0 | 0 | 114 | S92 L129 Q132 Q134 | S92-T94 PolarHBondContact O-N 2.76Å; S92-T94 PolarHBondContact OG-OG1 3.01Å; T94-L129 HydrophobicContact CG2-CB 3.61Å; T94-L129 HydrophobicContact CG2-CD1 3.96Å; T94-L129 HydrophobicContact CG2-CG 4.42Å; T94-Q132 WeakPolarHBondContact CA-O 3.48Å; T94-Q132 WeakPolarHBondContact CB-O 3.28Å; T94-Q132 HydrophobicContact CG2-CB 3.83Å; T94-Q134 PolarHBondContact O-NE2 3.48Å |
| 95 | D | 97.7 | Very high | 97.1 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 16% | 0.159 | S | C | . | . | trans | -140.6 | 101 | -177.1 | 178.1 | -1.9 | 0 | 0 | 0 | 110.3 | S92 G97 S98 F99 | S92-D95 PolarHBondContact O-N 2.98Å; D95-G97 VanDerWaalsContact C-N 3.29Å; D95-G97 PolarHBondContact O-N 2.71Å; D95-G97 PolarHBondContact OD1-N 2.96Å; D95-S98 PolarHBondContact O-N 3.26Å; D95-S98 PolarHBondContact O-OG 3.42Å; D95-S98 PolarHBondContact OD1-N 3.29Å; D95-F99 PolarHBondContact O-N 3.45Å | ||
| 96 | R | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 32% | 0.321 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 178.7 | -173.1 | 63.3 | 167.9 | -143.2 | 10.4 | 113.1 | S98 F99 E100 Q134 E139 | R96-S98 VanDerWaalsContact C-N 3.34Å; R96-S98 PolarHBondContact O-N 3.07Å; R96-F99 WeakPolarHBondContact O-CB 3.49Å; R96-F99 PolarHBondContact O-N 3.14Å; R96-E100 IonicContact NE-OE1 3.73Å; R96-E100 PolarHBondContact O-N 3.45Å; R96-E100 VanDerWaalsContact O-N 3.14Å; R96-Q134 HydrophobicContact CB-CB 4.35Å; R96-Q134 PolarHBondContact NH1-O 3.45Å; R96-E139 IonicContact CZ-OE1 3.97Å; R96-E139 IonicContact CZ-OE2 2.73Å; R96-E139 IonicContact NH1-OE1 2.95Å; R96-E139 PolarHBondContact NH1-OE1 2.89Å; R96-E139 IonicContact NH1-OE2 2.81Å; R96-E139 PolarHBondContact NH1-OE2 3.38Å; R96-E139 IonicContact NH2-OE1 3.31Å; R96-E139 PolarHBondContact NH2-OE1 2.85Å |
| 97 | G | 96.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D95 F99 E100 E101 | D95-G97 VanDerWaalsContact C-N 3.29Å; D95-G97 PolarHBondContact O-N 2.71Å; D95-G97 PolarHBondContact OD1-N 2.96Å; G97-F99 PolarHBondContact O-N 3.15Å; G97-E100 PolarHBondContact O-N 2.83Å; G97-E100 VanDerWaalsContact O-N 3.17Å; G97-E101 WeakPolarHBondContact O-CG 3.41Å; G97-E101 PolarHBondContact O-N 2.7Å; G97-E101 VanDerWaalsContact O-N 3.09Å |
| 98 | S | 96.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -31.7 | 176.4 | 77 | 0 | 0 | 0 | 0 | 113.6 | S92 D95 R96 | S92-S98 PolarHBondContact N-OG 3.01Å; S92-S98 PolarHBondContact O-OG 3.4Å; D95-S98 PolarHBondContact O-N 3.26Å; D95-S98 PolarHBondContact O-OG 3.42Å; D95-S98 PolarHBondContact OD1-N 3.29Å; R96-S98 VanDerWaalsContact C-N 3.34Å; R96-S98 PolarHBondContact O-N 3.07Å |
| 99 | F | 98.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.9 | -41.2 | 175.9 | 174.4 | -106.6 | 0 | 0 | 0 | 112 | F91 D95 R96 G97 E101 I102 V135 E139 L143 | F91-F99 HydrophobicContact CB-CB 4.43Å; F91-F99 HydrophobicContact CD1-CD2 4.07Å; F91-F99 HydrophobicContact CD2-CB 3.79Å; F91-F99 AromaticContact CD2-CD2 3.84Å; F91-F99 HydrophobicContact CD2-CD2 3.84Å; F91-F99 HydrophobicContact CD2-CG 4.29Å; F91-F99 AromaticContact CE1-CD2 3.88Å; F91-F99 HydrophobicContact CE1-CD2 3.88Å; F91-F99 HydrophobicContact CE1-CE2 4.31Å; F91-F99 HydrophobicContact CE2-CB 4.29Å; F91-F99 AromaticContact CE2-CD2 3.66Å; F91-F99 HydrophobicContact CE2-CD2 3.66Å; F91-F99 HydrophobicContact CE2-CE2 4.43Å; F91-F99 HydrophobicContact CE2-CG 4.36Å; F91-F99 HydrophobicContact CG-CB 4.17Å; F91-F99 HydrophobicContact CG-CD2 4.05Å; F91-F99 AromaticContact CZ-CD2 3.68Å; F91-F99 HydrophobicContact CZ-CD2 3.68Å; F91-F99 HydrophobicContact CZ-CE2 4.09Å; D95-F99 PolarHBondContact O-N 3.45Å; R96-F99 WeakPolarHBondContact O-CB 3.49Å; R96-F99 PolarHBondContact O-N 3.14Å; G97-F99 PolarHBondContact O-N 3.15Å; F99-E101 VanDerWaalsContact C-N 3.27Å; F99-E101 PolarHBondContact O-N 2.98Å; F99-I102 WeakPolarHBondContact O-CB 3.29Å; F99-I102 WeakPolarHBondContact O-CG1 3.48Å; F99-I102 PolarHBondContact O-N 3.34Å; F99-V135 HydrophobicContact CB-CG2 3.79Å; F99-V135 HydrophobicContact CD1-CG1 4.2Å; F99-V135 HydrophobicContact CD1-CG2 4.28Å; F99-V135 HydrophobicContact CD2-CG1 3.82Å; F99-V135 HydrophobicContact CE1-CG1 4.29Å; F99-V135 HydrophobicContact CE2-CG1 3.91Å; F99-V135 HydrophobicContact CG-CG1 3.94Å; F99-V135 HydrophobicContact CG-CG2 3.97Å; F99-V135 HydrophobicContact CZ-CG1 4.13Å; F99-E139 HydrophobicContact CZ-CB 4.28Å; F99-L143 HydrophobicContact CD2-CD2 3.86Å; F99-L143 HydrophobicContact CE1-CD2 4.36Å; F99-L143 HydrophobicContact CE2-CB 3.91Å; F99-L143 HydrophobicContact CE2-CD2 3.28Å; F99-L143 HydrophobicContact CE2-CG 4.21Å; F99-L143 HydrophobicContact CZ-CB 3.72Å; F99-L143 HydrophobicContact CZ-CD2 3.59Å; F99-L143 HydrophobicContact CZ-CG 4.24Å |
| 100 | E | 96.3 | Very high | 96.3 | Very high | 120 Ų | 120 | 45.7 Ų | 45.7 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66.8 | -30 | 177.2 | -68 | 174.9 | -177.3 | 0 | 0 | 112.3 | R96 G97 I102 | R96-E100 IonicContact NE-OE1 3.73Å; R96-E100 PolarHBondContact O-N 3.45Å; R96-E100 VanDerWaalsContact O-N 3.14Å; G97-E100 PolarHBondContact O-N 2.83Å; G97-E100 VanDerWaalsContact O-N 3.17Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 2.82Å |
| 101 | E | 94.7 | Very high | 96.2 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.6 | -22.4 | 176.6 | -73.9 | 179.1 | 176.2 | 0 | 0 | 114.1 | G20 G97 F99 Y103 K104 F105 | G20-E101 WeakPolarHBondContact CA-OE2 3.38Å; G97-E101 WeakPolarHBondContact O-CG 3.41Å; G97-E101 PolarHBondContact O-N 2.7Å; G97-E101 VanDerWaalsContact O-N 3.09Å; F99-E101 VanDerWaalsContact C-N 3.27Å; F99-E101 PolarHBondContact O-N 2.98Å; E101-Y103 PolarHBondContact O-N 2.78Å; E101-K104 WeakPolarHBondContact O-CA 3.26Å; E101-K104 WeakPolarHBondContact O-CB 3.46Å; E101-K104 PolarHBondContact O-N 2.88Å; E101-F105 HydrophobicContact CB-CD2 4.47Å; E101-F105 HydrophobicContact CB-CE2 4.19Å; E101-F105 WeakPolarHBondContact O-CD2 3.28Å; E101-F105 PolarHBondContact O-N 3.35Å |
| 102 | I | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.1 | -39.4 | 179.6 | -65.3 | -53.4 | 0 | 0 | 0 | 111.8 | L89 F91 F99 E100 K104 F105 Q106 L122 L143 L147 | L89-I102 HydrophobicContact CB-CD1 4.2Å; L89-I102 HydrophobicContact CB-CG2 4.36Å; L89-I102 HydrophobicContact CD1-CG2 4.12Å; F91-I102 HydrophobicContact CB-CD1 3.98Å; F91-I102 HydrophobicContact CB-CG1 4.03Å; F91-I102 HydrophobicContact CD1-CD1 4.38Å; F91-I102 HydrophobicContact CD1-CG1 4.12Å; F91-I102 HydrophobicContact CG-CG1 4.41Å; F99-I102 WeakPolarHBondContact O-CB 3.29Å; F99-I102 WeakPolarHBondContact O-CG1 3.48Å; F99-I102 PolarHBondContact O-N 3.34Å; E100-I102 VanDerWaalsContact C-N 3.27Å; E100-I102 PolarHBondContact O-N 2.82Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.2Å; I102-F105 PolarHBondContact O-N 3.48Å; I102-Q106 PolarHBondContact O-N 3.48Å; I102-L122 HydrophobicContact CB-CD1 4.4Å; I102-L122 HydrophobicContact CD1-CD1 4.18Å; I102-L122 HydrophobicContact CG1-CD1 3.95Å; I102-L122 HydrophobicContact CG2-CD1 3.61Å; I102-L143 HydrophobicContact CB-CD2 4.12Å; I102-L143 HydrophobicContact CG2-CD2 3.96Å; I102-L147 HydrophobicContact CG2-CD1 3.8Å |
| 103 | Y | 94.6 | Very high | 95.8 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 37% | 0.365 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 176.3 | -92.2 | -69.7 | 0 | 0 | 0 | 112.9 | E101 R107 L143 Q146 L147 | E101-Y103 PolarHBondContact O-N 2.78Å; Y103-R107 WeakPolarHBondContact O-CB 3.44Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.48Å; Y103-R107 PolarHBondContact O-N 2.96Å; Y103-R107 VanDerWaalsContact O-N 3.14Å; Y103-L143 HydrophobicContact CD2-CD1 3.78Å; Y103-L143 HydrophobicContact CE1-CD1 4.06Å; Y103-L143 HydrophobicContact CE2-CD1 3.08Å; Y103-L143 HydrophobicContact CE2-CG 4.49Å; Y103-L143 HydrophobicContact CG-CD1 4.5Å; Y103-L143 WeakPolarHBondContact OH-CD1 3.41Å; Y103-Q146 PolarHBondContact OH-OE1 3.18Å; Y103-L147 HydrophobicContact CD1-CD2 3.77Å; Y103-L147 HydrophobicContact CE1-CD2 3.49Å; Y103-L147 VanDerWaalsContact CE1-CD2 3.49Å; Y103-L147 HydrophobicContact CE1-CG 4.44Å |
| 104 | K | 93.3 | Very high | 95.7 | Very high | 133 Ų | 133 | 66.6 Ų | 66.6 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.7 | -46.2 | 179.5 | -59.2 | 177 | -175.2 | 168.3 | 0 | 110.2 | E101 I102 R107 Q108 | E101-K104 WeakPolarHBondContact O-CA 3.26Å; E101-K104 WeakPolarHBondContact O-CB 3.46Å; E101-K104 PolarHBondContact O-N 2.88Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.2Å; K104-R107 PolarHBondContact O-N 3.25Å; K104-Q108 WeakPolarHBondContact O-CB 3.47Å; K104-Q108 VanDerWaalsContact O-CG 3.28Å; K104-Q108 WeakPolarHBondContact O-CG 3.4Å; K104-Q108 PolarHBondContact O-N 3.19Å; K104-Q108 VanDerWaalsContact O-N 3.07Å |
| 105 | F | 93.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.096 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 178 | -72.6 | -70.2 | 0 | 0 | 0 | 111.8 | V18 L89 E101 I102 R107 Q108 I109 | V18-F105 HydrophobicContact CB-CD1 4.08Å; V18-F105 HydrophobicContact CB-CE1 4.38Å; V18-F105 HydrophobicContact CG2-CB 4.35Å; V18-F105 HydrophobicContact CG2-CD1 4.32Å; V18-F105 HydrophobicContact CG2-CG 4.41Å; L89-F105 HydrophobicContact CD2-CB 4.37Å; E101-F105 HydrophobicContact CB-CD2 4.47Å; E101-F105 HydrophobicContact CB-CE2 4.19Å; E101-F105 WeakPolarHBondContact O-CD2 3.28Å; E101-F105 PolarHBondContact O-N 3.35Å; I102-F105 PolarHBondContact O-N 3.48Å; F105-R107 PolarHBondContact O-N 3.1Å; F105-Q108 PolarHBondContact O-N 3.1Å; F105-I109 WeakPolarHBondContact O-CD1 3.47Å; F105-I109 VanDerWaalsContact O-CG1 3.31Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.43Å |
| 106 | Q | 95.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 75 Ų | 75 | 9% | 0.093 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 179.5 | -173.7 | -90.3 | 14.4 | 0 | 0 | 111.7 | L89 I102 Q108 I109 L110 M120 L147 | L89-Q106 HydrophobicContact CD1-CB 4.14Å; L89-Q106 HydrophobicContact CD1-CG 4.49Å; I102-Q106 PolarHBondContact O-N 3.48Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å; Q106-Q108 PolarHBondContact O-N 3.41Å; Q106-I109 PolarHBondContact O-N 3.27Å; Q106-L110 WeakPolarHBondContact O-CG 3.23Å; Q106-L110 PolarHBondContact O-N 3.09Å; Q106-M120 HydrophobicContact CG-CE 4.08Å; Q106-M120 HydrophobicContact CG-SD 4.02Å; Q106-L147 HydrophobicContact CB-CD1 4.49Å; Q106-L147 HydrophobicContact CB-CD2 4.45Å; Q106-L147 HydrophobicContact CG-CD1 4.41Å; Q106-L147 HydrophobicContact CG-CD2 4.05Å |
| 107 | R | 94.9 | Very high | 95 | Very high | 186 Ų | 186 | 75.8 Ų | 75.8 | 70% | 0.702 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | -178.7 | -71.8 | -178.6 | 105.8 | -173.2 | 6.4 | 112.1 | Y103 K104 F105 R111 | Y103-R107 WeakPolarHBondContact O-CB 3.44Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.48Å; Y103-R107 PolarHBondContact O-N 2.96Å; Y103-R107 VanDerWaalsContact O-N 3.14Å; K104-R107 PolarHBondContact O-N 3.25Å; F105-R107 PolarHBondContact O-N 3.1Å; R107-R111 VanDerWaalsContact O-CB 3.25Å; R107-R111 WeakPolarHBondContact O-CB 3.31Å; R107-R111 PolarHBondContact O-N 3.44Å |
| 108 | Q | 93.2 | Very high | 95 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.2 | -73.4 | 174.4 | -6.7 | 0 | 0 | 111.5 | M81 K104 F105 Q106 R111 V112 | M81-Q108 HydrophobicContact CE-CB 3.73Å; M81-Q108 HydrophobicContact SD-CB 3.85Å; K104-Q108 WeakPolarHBondContact O-CB 3.47Å; K104-Q108 VanDerWaalsContact O-CG 3.28Å; K104-Q108 WeakPolarHBondContact O-CG 3.4Å; K104-Q108 PolarHBondContact O-N 3.19Å; K104-Q108 VanDerWaalsContact O-N 3.07Å; F105-Q108 PolarHBondContact O-N 3.1Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å; Q106-Q108 PolarHBondContact O-N 3.41Å; Q108-R111 PolarHBondContact O-N 2.78Å; Q108-V112 WeakPolarHBondContact O-CG2 3.07Å; Q108-V112 PolarHBondContact O-N 3.45Å |
| 109 | I | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -53.4 | 176.2 | -69.7 | 160.4 | 0 | 0 | 0 | 110.1 | V18 M81 F87 L89 F105 Q106 R111 V112 K113 F118 M120 | V18-I109 HydrophobicContact CG2-CD1 4.24Å; M81-I109 HydrophobicContact CE-CG1 4.15Å; M81-I109 HydrophobicContact CG-CG1 4.12Å; M81-I109 HydrophobicContact SD-CG1 4.24Å; F87-I109 HydrophobicContact CB-CD1 3.91Å; F87-I109 HydrophobicContact CD1-CD1 3.71Å; F87-I109 HydrophobicContact CD1-CG1 4.07Å; F87-I109 HydrophobicContact CD2-CD1 4.18Å; F87-I109 HydrophobicContact CD2-CG1 4.47Å; F87-I109 HydrophobicContact CD2-CG2 3.71Å; F87-I109 HydrophobicContact CE1-CD1 4.33Å; F87-I109 HydrophobicContact CE1-CG1 4.18Å; F87-I109 HydrophobicContact CE2-CG2 3.6Å; F87-I109 HydrophobicContact CG-CD1 3.65Å; F87-I109 HydrophobicContact CG-CG1 4.25Å; F87-I109 HydrophobicContact CG-CG2 4.31Å; F87-I109 HydrophobicContact CZ-CG1 4.44Å; F87-I109 HydrophobicContact CZ-CG2 4.11Å; L89-I109 HydrophobicContact CD2-CD1 3.68Å; F105-I109 WeakPolarHBondContact O-CD1 3.47Å; F105-I109 VanDerWaalsContact O-CG1 3.31Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.43Å; Q106-I109 PolarHBondContact O-N 3.27Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.13Å; I109-V112 PolarHBondContact O-N 2.93Å; I109-K113 HydrophobicContact CG2-CG 4.22Å; I109-K113 WeakPolarHBondContact O-CB 3.19Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.29Å; I109-K113 PolarHBondContact O-N 3.19Å; I109-F118 HydrophobicContact CG2-CD1 4.46Å; I109-M120 HydrophobicContact CB-SD 4.46Å; I109-M120 HydrophobicContact CD1-SD 4.26Å; I109-M120 HydrophobicContact CG2-SD 4.09Å |
| 110 | L | 96.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 75.2 Ų | 75.2 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 180 | -71.5 | -171.6 | 0 | 0 | 0 | 112.5 | Q106 K113 D114 R115 D116 F118 M120 | Q106-L110 WeakPolarHBondContact O-CG 3.23Å; Q106-L110 PolarHBondContact O-N 3.09Å; L110-K113 PolarHBondContact O-N 2.73Å; L110-D114 PolarHBondContact O-N 2.9Å; L110-R115 WeakPolarHBondContact CB-O 3.33Å; L110-R115 WeakPolarHBondContact CD2-O 3.46Å; L110-R115 PolarHBondContact O-N 2.53Å; L110-D116 VanDerWaalsContact CD1-O 3.31Å; L110-D116 WeakPolarHBondContact CD1-O 3.3Å; L110-F118 HydrophobicContact CD2-CB 3.93Å; L110-M120 HydrophobicContact CD2-CE 3.7Å; L110-M120 HydrophobicContact CG-CE 4.2Å |
| 111 | R | 95.4 | Very high | 95.2 | Very high | 214 Ų | 214 | 69.6 Ų | 69.6 | 81% | 0.808 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 175.7 | -178.7 | -177.9 | 175.9 | -169.8 | -2.1 | 112.5 | R107 Q108 I109 K113 D114 | R107-R111 VanDerWaalsContact O-CB 3.25Å; R107-R111 WeakPolarHBondContact O-CB 3.31Å; R107-R111 PolarHBondContact O-N 3.44Å; Q108-R111 PolarHBondContact O-N 2.78Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.13Å; R111-K113 VanDerWaalsContact C-N 3.31Å; R111-D114 PolarHBondContact O-N 3.02Å |
| 112 | V | 94.6 | Very high | 95.4 | Very high | 42 Ų | 42 | 66.2 Ų | 66.2 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.4 | -32 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | E78 M81 R82 Q108 I109 D114 | E78-V112 HydrophobicContact CG-CG2 4.31Å; M81-V112 HydrophobicContact CB-CB 3.91Å; M81-V112 HydrophobicContact CB-CG1 3.69Å; M81-V112 HydrophobicContact CB-CG2 4.12Å; M81-V112 HydrophobicContact SD-CG2 4.03Å; R82-V112 HydrophobicContact CB-CG1 4.09Å; Q108-V112 WeakPolarHBondContact O-CG2 3.07Å; Q108-V112 PolarHBondContact O-N 3.45Å; I109-V112 PolarHBondContact O-N 2.93Å; V112-D114 VanDerWaalsContact C-N 3.32Å |
| 113 | K | 94.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.1 | -18.5 | 175.6 | -68.9 | -58.2 | -169.8 | -177.1 | 0 | 113.9 | M81 R82 G84 I109 L110 R111 R115 F118 | M81-K113 WeakPolarHBondContact O-CE 3.3Å; M81-K113 PolarHBondContact O-NZ 3.36Å; R82-K113 PolarHBondContact O-NZ 3.04Å; G84-K113 VanDerWaalsContact O-CE 3.31Å; G84-K113 WeakPolarHBondContact O-CE 3.41Å; G84-K113 PolarHBondContact O-NZ 2.84Å; I109-K113 HydrophobicContact CG2-CG 4.22Å; I109-K113 WeakPolarHBondContact O-CB 3.19Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.29Å; I109-K113 PolarHBondContact O-N 3.19Å; L110-K113 PolarHBondContact O-N 2.73Å; R111-K113 VanDerWaalsContact C-N 3.31Å; K113-R115 VanDerWaalsContact C-N 3.33Å; K113-R115 HydrophobicContact CB-CB 4.32Å; K113-R115 HydrophobicContact CB-CG 4.27Å; K113-R115 WeakPolarHBondContact O-CG 3.4Å; K113-F118 HydrophobicContact CB-CD2 4.07Å; K113-F118 HydrophobicContact CB-CG 4.45Å; K113-F118 HydrophobicContact CD-CD2 3.99Å; K113-F118 HydrophobicContact CD-CE1 4.25Å; K113-F118 HydrophobicContact CD-CE2 3.67Å; K113-F118 HydrophobicContact CD-CG 4.41Å; K113-F118 HydrophobicContact CD-CZ 3.83Å; K113-F118 VanDerWaalsContact CE-CE1 3.41Å; K113-F118 HydrophobicContact CG-CD1 4.18Å; K113-F118 HydrophobicContact CG-CD2 3.74Å; K113-F118 HydrophobicContact CG-CE1 4.41Å; K113-F118 HydrophobicContact CG-CE2 3.98Å; K113-F118 HydrophobicContact CG-CG 3.87Å; K113-F118 HydrophobicContact CG-CZ 4.33Å |
| 114 | D | 95.3 | Very high | 95.7 | Very high | 145 Ų | 145 | 61.8 Ų | 61.8 | 78% | 0.775 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 49.3 | -171.8 | -163.1 | 35 | 0 | 0 | 0 | 111.5 | L110 R111 V112 | L110-D114 PolarHBondContact O-N 2.9Å; R111-D114 PolarHBondContact O-N 3.02Å; V112-D114 VanDerWaalsContact C-N 3.32Å |
| 115 | R | 93.4 | Very high | 96 | Very high | 110 Ų | 110 | 55.6 Ų | 55.6 | 42% | 0.415 | 25% | 0.25 | S | C | . | . | trans | -142.1 | 154.1 | -177.1 | -64.7 | -64.8 | -175 | 130.4 | 7.6 | 111.2 | L110 K113 E117 E180 | L110-R115 WeakPolarHBondContact CB-O 3.33Å; L110-R115 WeakPolarHBondContact CD2-O 3.46Å; L110-R115 PolarHBondContact O-N 2.53Å; K113-R115 VanDerWaalsContact C-N 3.33Å; K113-R115 HydrophobicContact CB-CB 4.32Å; K113-R115 HydrophobicContact CB-CG 4.27Å; K113-R115 WeakPolarHBondContact O-CG 3.4Å; R115-E117 WeakPolarHBondContact CB-O 3.36Å; R115-E180 IonicContact CZ-OE1 3.9Å; R115-E180 IonicContact CZ-OE2 3.27Å; R115-E180 VanDerWaalsContact NH1-CD 3.31Å; R115-E180 IonicContact NH1-OE1 2.84Å; R115-E180 PolarHBondContact NH1-OE1 2.99Å; R115-E180 IonicContact NH1-OE2 3.09Å; R115-E180 PolarHBondContact NH1-OE2 2.88Å; R115-E180 VanDerWaalsContact NH1-OE2 3.1Å; R115-E180 IonicContact NH2-OE1 3.19Å; R115-E180 IonicContact NH2-OE2 3.48Å; R115-E180 PolarHBondContact NH2-OE2 2.74Å | ||
| 116 | D | 92.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 57.5 Ų | 57.5 | 81% | 0.807 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -82.1 | -27.3 | 172.2 | -67.2 | -41.4 | 0 | 0 | 0 | 113 | L110 | L110-D116 VanDerWaalsContact CD1-O 3.31Å; L110-D116 WeakPolarHBondContact CD1-O 3.3Å |
| 117 | E | 93.9 | Very high | 96.3 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | trans | -137.3 | 141.5 | 179.9 | -62.8 | -176 | -144.2 | 0 | 0 | 109.4 | R115 K148 | R115-E117 WeakPolarHBondContact CB-O 3.36Å; E117-K148 HydrophobicContact CG-CD 4.26Å; E117-K148 WeakPolarHBondContact OE1-CD 3.34Å; E117-K148 IonicContact OE1-NZ 3.99Å; E117-K148 PolarHBondContact OE1-NZ 2.72Å | ||
| 118 | F | 97.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | trans | -151 | 151.4 | 178.3 | -160.3 | -95.8 | 0 | 0 | 0 | 109.9 | E85 F87 I109 L110 K113 M120 F176 | E85-F118 VanDerWaalsContact O-CE1 3.27Å; E85-F118 WeakPolarHBondContact O-CE1 3.47Å; F87-F118 AromaticContact CD2-CD1 3.91Å; F87-F118 HydrophobicContact CD2-CD1 3.91Å; F87-F118 HydrophobicContact CD2-CE1 4.08Å; F87-F118 AromaticContact CE2-CD1 3.7Å; F87-F118 HydrophobicContact CE2-CD1 3.7Å; F87-F118 AromaticContact CE2-CE1 3.59Å; F87-F118 HydrophobicContact CE2-CE1 3.59Å; I109-F118 HydrophobicContact CG2-CD1 4.46Å; L110-F118 HydrophobicContact CD2-CB 3.93Å; K113-F118 HydrophobicContact CB-CD2 4.07Å; K113-F118 HydrophobicContact CB-CG 4.45Å; K113-F118 HydrophobicContact CD-CD2 3.99Å; K113-F118 HydrophobicContact CD-CE1 4.25Å; K113-F118 HydrophobicContact CD-CE2 3.67Å; K113-F118 HydrophobicContact CD-CG 4.41Å; K113-F118 HydrophobicContact CD-CZ 3.83Å; K113-F118 VanDerWaalsContact CE-CE1 3.41Å; K113-F118 HydrophobicContact CG-CD1 4.18Å; K113-F118 HydrophobicContact CG-CD2 3.74Å; K113-F118 HydrophobicContact CG-CE1 4.41Å; K113-F118 HydrophobicContact CG-CE2 3.98Å; K113-F118 HydrophobicContact CG-CG 3.87Å; K113-F118 HydrophobicContact CG-CZ 4.33Å; F118-M120 HydrophobicContact CB-CE 4.17Å; F118-M120 VanDerWaalsContact O-CE 3.29Å; F118-M120 WeakPolarHBondContact O-CE 3.41Å; F118-M120 WeakPolarHBondContact O-CG 3.49Å; F118-M120 PolarHBondContact O-N 3.13Å; F118-F176 HydrophobicContact CD2-CE1 4.4Å; F118-F176 HydrophobicContact CD2-CZ 4.13Å; F118-F176 HydrophobicContact CE2-CE1 4.18Å; F118-F176 HydrophobicContact CE2-CZ 4.33Å | ||
| 119 | P | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -55.1 | 110.1 | 179.6 | -31.6 | 37.7 | 0 | 0 | 0 | 114 | G86 F87 V172 I173 F176 | G86-P119 WeakPolarHBondContact CA-O 3.31Å; F87-P119 PolarHBondContact N-O 2.96Å; P119-V172 HydrophobicContact CB-CG1 3.9Å; P119-I173 HydrophobicContact CB-CB 4.43Å; P119-I173 HydrophobicContact CB-CG1 3.63Å; P119-I173 HydrophobicContact CG-CG1 4.21Å; P119-F176 HydrophobicContact CG-CB 3.52Å; P119-F176 HydrophobicContact CG-CD1 3.75Å; P119-F176 HydrophobicContact CG-CD2 4.09Å; P119-F176 HydrophobicContact CG-CE1 4.49Å; P119-F176 HydrophobicContact CG-CG 3.51Å |
| 120 | M | 98.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.1 | -177.4 | -66.5 | -179.6 | -81.7 | 0 | 0 | 110 | F87 L89 Q106 I109 L110 F118 V149 | F87-M120 HydrophobicContact CB-CG 4.15Å; F87-M120 HydrophobicContact CD2-CG 4.35Å; F87-M120 VanDerWaalsContact O-CA 3.3Å; F87-M120 WeakPolarHBondContact O-CA 3.31Å; L89-M120 HydrophobicContact CD1-SD 4.23Å; Q106-M120 HydrophobicContact CG-CE 4.08Å; Q106-M120 HydrophobicContact CG-SD 4.02Å; I109-M120 HydrophobicContact CB-SD 4.46Å; I109-M120 HydrophobicContact CD1-SD 4.26Å; I109-M120 HydrophobicContact CG2-SD 4.09Å; L110-M120 HydrophobicContact CD2-CE 3.7Å; L110-M120 HydrophobicContact CG-CE 4.2Å; F118-M120 HydrophobicContact CB-CE 4.17Å; F118-M120 VanDerWaalsContact O-CE 3.29Å; F118-M120 WeakPolarHBondContact O-CE 3.41Å; F118-M120 WeakPolarHBondContact O-CG 3.49Å; F118-M120 PolarHBondContact O-N 3.13Å; M120-V149 HydrophobicContact CB-CG1 3.72Å |
| 121 | I | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.1 | 165.7 | 65.2 | 165.2 | 0 | 0 | 0 | 110.1 | F87 L88 L89 V123 A165 E168 L169 V172 | F87-I121 PolarHBondContact O-N 2.89Å; L88-I121 HydrophobicContact CD2-CD1 4.19Å; L88-I121 HydrophobicContact CG-CD1 3.98Å; L88-I121 HydrophobicContact CG-CG1 3.95Å; L89-I121 PolarHBondContact N-O 2.99Å; I121-V123 HydrophobicContact CD1-CG2 3.92Å; I121-V123 HydrophobicContact CG1-CG2 4.16Å; I121-A165 HydrophobicContact CD1-CB 3.96Å; I121-A165 WeakPolarHBondContact CD1-O 3.43Å; I121-E168 HydrophobicContact CG2-CG 4.41Å; I121-L169 HydrophobicContact CD1-CB 4.15Å; I121-L169 HydrophobicContact CG1-CB 4.25Å; I121-L169 HydrophobicContact CG2-CB 4.38Å; I121-L169 HydrophobicContact CG2-CD1 4.27Å; I121-V172 HydrophobicContact CG2-CG2 4.21Å |
| 122 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.4 | 175.3 | -178.1 | 61.9 | 0 | 0 | 0 | 110 | L89 F91 I102 L143 A144 V149 T150 Y151 M152 | L89-L122 HydrophobicContact CB-CD1 4.13Å; F91-L122 HydrophobicContact CD1-CD1 3.76Å; F91-L122 HydrophobicContact CD1-CG 4.36Å; F91-L122 HydrophobicContact CE1-CD1 3.83Å; F91-L122 HydrophobicContact CE1-CD2 4.27Å; F91-L122 HydrophobicContact CE1-CG 3.93Å; I102-L122 HydrophobicContact CB-CD1 4.4Å; I102-L122 HydrophobicContact CD1-CD1 4.18Å; I102-L122 HydrophobicContact CG1-CD1 3.95Å; I102-L122 HydrophobicContact CG2-CD1 3.61Å; L122-L143 HydrophobicContact CD2-CB 4.22Å; L122-L143 HydrophobicContact CD2-CD2 3.96Å; L122-L143 HydrophobicContact CD2-CG 4.02Å; L122-A144 HydrophobicContact CD2-CB 4.17Å; L122-V149 HydrophobicContact CB-CG2 3.89Å; L122-T150 PolarHBondContact N-O 2.82Å; L122-Y151 HydrophobicContact CB-CD2 4.11Å; L122-Y151 HydrophobicContact CD2-CD2 3.84Å; L122-Y151 HydrophobicContact CD2-CE2 4.44Å; L122-Y151 HydrophobicContact CD2-CG 4.48Å; L122-Y151 HydrophobicContact CG-CD2 3.73Å; L122-Y151 HydrophobicContact CG-CE2 4.32Å; L122-Y151 WeakPolarHBondContact O-CA 3.34Å; L122-Y151 WeakPolarHBondContact O-CD2 3.34Å; L122-M152 PolarHBondContact O-N 3.05Å |
| 123 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.8 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | L28 L88 L89 V90 F91 I121 M152 A154 A165 | L28-V123 HydrophobicContact CD1-CG1 4.15Å; L88-V123 HydrophobicContact CD2-CG2 4.2Å; L89-V123 PolarHBondContact O-N 2.97Å; V90-V123 WeakPolarHBondContact CA-O 3.37Å; V90-V123 HydrophobicContact CG2-CB 4.39Å; F91-V123 WeakPolarHBondContact CD1-O 3.29Å; F91-V123 PolarHBondContact N-O 3.28Å; I121-V123 HydrophobicContact CD1-CG2 3.92Å; I121-V123 HydrophobicContact CG1-CG2 4.16Å; V123-M152 VanDerWaalsContact CA-O 3.29Å; V123-M152 WeakPolarHBondContact CA-O 3.41Å; V123-A154 HydrophobicContact CG1-CB 3.74Å; V123-A165 HydrophobicContact CG2-CB 4.16Å |
| 124 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 98.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F91 M152 E153 A154 | F91-G124 VanDerWaalsContact CZ-CA 3.49Å; G124-M152 PolarHBondContact N-O 3.26Å; G124-E153 CarbonylContact O-C 3.55Å; G124-E153 VanDerWaalsContact O-CA 3.31Å; G124-E153 WeakPolarHBondContact O-CA 3.44Å; G124-A154 PolarHBondContact O-N 3.09Å |
| 125 | N | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 167 | -177.7 | -167.2 | 28.6 | 0 | 0 | 0 | 112.2 | V23 L28 V90 F91 V93 A127 A154 A156 | V23-N125 PolarHBondContact O-ND2 3.18Å; L28-N125 HydrophobicContact CD1-CB 4.25Å; V90-N125 HydrophobicContact CG1-CB 4.01Å; F91-N125 WeakPolarHBondContact O-CB 3.18Å; F91-N125 PolarHBondContact O-N 3.31Å; V93-N125 PolarHBondContact N-O 2.88Å; N125-A127 VanDerWaalsContact C-N 3.31Å; N125-A154 CarbonylContact C-O 3.58Å; N125-A154 VanDerWaalsContact CA-O 3.29Å; N125-A154 WeakPolarHBondContact CA-O 3.48Å; N125-A154 PolarHBondContact OD1-O 2.79Å; N125-A156 PolarHBondContact OD1-N 3.26Å |
| 126 | K | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | trans | 64.6 | 30.5 | -178.7 | -44 | -168.9 | -162.6 | 171.6 | 0 | 113.9 | G22 S92 V93 D128 L129 A154 | G22-K126 WeakPolarHBondContact O-CE 3.4Å; G22-K126 PolarHBondContact O-NZ 3.49Å; S92-K126 VanDerWaalsContact OG-CD 3.25Å; S92-K126 WeakPolarHBondContact OG-CD 3.47Å; S92-K126 WeakPolarHBondContact OG-CE 3.45Å; V93-K126 WeakPolarHBondContact CG2-O 3.29Å; K126-D128 PolarHBondContact O-N 2.88Å; K126-D128 VanDerWaalsContact O-N 3.08Å; K126-L129 HydrophobicContact CB-CD1 4.08Å; K126-L129 HydrophobicContact CB-CG 4.35Å; K126-L129 HydrophobicContact CD-CD1 4.17Å; K126-L129 WeakPolarHBondContact O-CB 3.07Å; K126-L129 PolarHBondContact O-N 3.2Å; K126-A154 PolarHBondContact N-O 3.4Å | ||
| 127 | A | 97.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N125 L129 E153 A154 M160 | N125-A127 VanDerWaalsContact C-N 3.31Å; A127-L129 PolarHBondContact O-N 3.27Å; A127-E153 HydrophobicContact CB-CB 3.97Å; A127-A154 PolarHBondContact N-O 3.01Å; A127-A154 VanDerWaalsContact N-O 3.13Å; A127-M160 HydrophobicContact CB-CE 3.46Å; A127-M160 VanDerWaalsContact CB-CE 3.46Å |
| 128 | D | 97.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16 | 167.5 | 60.8 | -73.2 | 0 | 0 | 0 | 113.7 | K126 E130 S155 K157 I158 | K126-D128 PolarHBondContact O-N 2.88Å; K126-D128 VanDerWaalsContact O-N 3.08Å; D128-E130 PolarHBondContact O-N 3.27Å; D128-S155 VanDerWaalsContact CG-OG 3.29Å; D128-S155 VanDerWaalsContact OD1-CB 3.28Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.94Å; D128-K157 VanDerWaalsContact OD2-CD 3.25Å; D128-K157 WeakPolarHBondContact OD2-CD 3.21Å; D128-K157 IonicContact OD2-NZ 3.6Å; D128-I158 HydrophobicContact CB-CD1 4.29Å; D128-I158 HydrophobicContact CB-CG1 4.36Å |
| 129 | L | 96.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | trans | -96.1 | 52.2 | -177.7 | -58.4 | -177.4 | 0 | 0 | 0 | 112.4 | T94 K126 A127 L131 Q132 R133 | T94-L129 HydrophobicContact CG2-CB 3.61Å; T94-L129 HydrophobicContact CG2-CD1 3.96Å; T94-L129 HydrophobicContact CG2-CG 4.42Å; K126-L129 HydrophobicContact CB-CD1 4.08Å; K126-L129 HydrophobicContact CB-CG 4.35Å; K126-L129 HydrophobicContact CD-CD1 4.17Å; K126-L129 WeakPolarHBondContact O-CB 3.07Å; K126-L129 PolarHBondContact O-N 3.2Å; A127-L129 PolarHBondContact O-N 3.27Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.13Å; L129-Q132 HydrophobicContact CB-CB 4.41Å; L129-Q132 PolarHBondContact O-N 3.12Å; L129-R133 PolarHBondContact O-N 3.09Å | ||
| 130 | E | 95.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -56.5 | -37.8 | -173.8 | -166 | 58.3 | -142.8 | 0 | 0 | 113.3 | D128 Q132 R133 | D128-E130 PolarHBondContact O-N 3.27Å; E130-Q132 PolarHBondContact O-N 3.33Å; E130-R133 VanDerWaalsContact O-CB 3.23Å; E130-R133 WeakPolarHBondContact O-CB 2.99Å; E130-R133 PolarHBondContact O-N 2.84Å; E130-R133 WeakPolarHBondContact OE1-CD 3.43Å; E130-R133 IonicContact OE1-CZ 3.91Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 PolarHBondContact OE1-NE 3.16Å; E130-R133 IonicContact OE1-NH2 3.82Å; E130-R133 IonicContact OE2-CZ 3.82Å; E130-R133 VanDerWaalsContact OE2-CZ 3.31Å; E130-R133 IonicContact OE2-NE 2.87Å; E130-R133 PolarHBondContact OE2-NE 3.19Å; E130-R133 IonicContact OE2-NH2 2.82Å; E130-R133 PolarHBondContact OE2-NH2 2.95Å |
| 131 | L | 96.9 | Very high | 97.9 | Very high | 181 Ų | 181 | 55.7 Ų | 55.7 | 95% | 0.948 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -67.4 | -17.3 | 178.3 | -64.1 | 176.6 | 0 | 0 | 0 | 113.9 | L129 | L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.13Å |
| 132 | Q | 97.3 | Very high | 97.9 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 58% | 0.575 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -108.2 | 8.2 | 179.6 | -59.4 | 179.1 | 28.2 | 0 | 0 | 111.8 | T94 L129 E130 Q134 | T94-Q132 WeakPolarHBondContact CA-O 3.48Å; T94-Q132 WeakPolarHBondContact CB-O 3.28Å; T94-Q132 HydrophobicContact CG2-CB 3.83Å; L129-Q132 HydrophobicContact CB-CB 4.41Å; L129-Q132 PolarHBondContact O-N 3.12Å; E130-Q132 PolarHBondContact O-N 3.33Å; Q132-Q134 PolarHBondContact O-N 2.98Å |
| 133 | R | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 61 Ų | 61 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | trans | -62.4 | 129.5 | -176.9 | -177 | -179.7 | -72.8 | -90.2 | 7.4 | 111 | L129 E130 V135 E153 | L129-R133 PolarHBondContact O-N 3.09Å; E130-R133 VanDerWaalsContact O-CB 3.23Å; E130-R133 WeakPolarHBondContact O-CB 2.99Å; E130-R133 PolarHBondContact O-N 2.84Å; E130-R133 WeakPolarHBondContact OE1-CD 3.43Å; E130-R133 IonicContact OE1-CZ 3.91Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 PolarHBondContact OE1-NE 3.16Å; E130-R133 IonicContact OE1-NH2 3.82Å; E130-R133 IonicContact OE2-CZ 3.82Å; E130-R133 VanDerWaalsContact OE2-CZ 3.31Å; E130-R133 IonicContact OE2-NE 2.87Å; E130-R133 PolarHBondContact OE2-NE 3.19Å; E130-R133 IonicContact OE2-NH2 2.82Å; E130-R133 PolarHBondContact OE2-NH2 2.95Å; R133-V135 WeakPolarHBondContact CD-O 3.36Å; R133-V135 WeakPolarHBondContact CG-O 3.46Å; R133-V135 PolarHBondContact NH1-O 3.43Å; R133-V135 VanDerWaalsContact NH1-O 3.07Å; R133-E153 IonicContact CZ-OE1 3.17Å; R133-E153 IonicContact CZ-OE2 2.8Å; R133-E153 IonicContact NH1-OE1 2.74Å; R133-E153 PolarHBondContact NH1-OE1 3.14Å; R133-E153 IonicContact NH1-OE2 3.93Å; R133-E153 PolarHBondContact NH1-OE2 3.41Å; R133-E153 IonicContact NH2-OE1 2.88Å; R133-E153 IonicContact NH2-OE2 3.68Å; R133-E153 PolarHBondContact NH2-OE2 2.65Å | ||
| 134 | Q | 98.4 | Very high | 97.8 | Very high | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | trans | -115.7 | -14.7 | 174.5 | -60.4 | -175.8 | 15.5 | 0 | 0 | 112.7 | V93 T94 R96 Q132 | V93-Q134 PolarHBondContact O-N 2.96Å; T94-Q134 PolarHBondContact O-NE2 3.48Å; R96-Q134 HydrophobicContact CB-CB 4.35Å; R96-Q134 PolarHBondContact NH1-O 3.45Å; Q132-Q134 PolarHBondContact O-N 2.98Å | ||
| 135 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -125.4 | 121.8 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | F91 V93 F99 R133 E139 | F91-V135 HydrophobicContact CE2-CB 4.12Å; F91-V135 HydrophobicContact CE2-CG1 3.9Å; F91-V135 HydrophobicContact CE2-CG2 4.4Å; F91-V135 HydrophobicContact CZ-CG1 4.35Å; V93-V135 PolarHBondContact O-N 3.48Å; V93-V135 VanDerWaalsContact O-N 3.08Å; F99-V135 HydrophobicContact CB-CG2 3.79Å; F99-V135 HydrophobicContact CD1-CG1 4.2Å; F99-V135 HydrophobicContact CD1-CG2 4.28Å; F99-V135 HydrophobicContact CD2-CG1 3.82Å; F99-V135 HydrophobicContact CE1-CG1 4.29Å; F99-V135 HydrophobicContact CE2-CG1 3.91Å; F99-V135 HydrophobicContact CG-CG1 3.94Å; F99-V135 HydrophobicContact CG-CG2 3.97Å; F99-V135 HydrophobicContact CZ-CG1 4.13Å; R133-V135 WeakPolarHBondContact CD-O 3.36Å; R133-V135 WeakPolarHBondContact CG-O 3.46Å; R133-V135 PolarHBondContact NH1-O 3.43Å; R133-V135 VanDerWaalsContact NH1-O 3.07Å; V135-E139 WeakPolarHBondContact CA-OE2 3.29Å; V135-E139 HydrophobicContact CG1-CB 4.01Å |
| 136 | T | 98.1 | Very high | 97.7 | Very high | 55 Ų | 55 | 74.9 Ų | 74.9 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | trans | -79 | 162 | 179.9 | 84.8 | 0 | 0 | 0 | 0 | 111.7 | E138 E139 G140 | T136-E138 WeakPolarHBondContact CB-OE2 3.37Å; T136-E138 PolarHBondContact O-N 3.45Å; T136-E138 PolarHBondContact OG1-N 3.02Å; T136-E138 PolarHBondContact OG1-OE2 3.44Å; T136-E139 PolarHBondContact N-OE2 3.01Å; T136-E139 PolarHBondContact O-N 3.31Å; T136-E139 PolarHBondContact OG1-N 3.37Å; T136-G140 PolarHBondContact O-N 3.49Å; T136-G140 VanDerWaalsContact O-N 3.11Å | ||
| 137 | Q | 97.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 72.6 Ų | 72.6 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 176.4 | -167.8 | 179.3 | 13.6 | 0 | 0 | 111.3 | G140 Q141 Y151 E153 | Q137-G140 PolarHBondContact O-N 2.96Å; Q137-Q141 WeakPolarHBondContact O-CB 3.29Å; Q137-Q141 PolarHBondContact O-N 3.13Å; Q137-Y151 HydrophobicContact CG-CE1 4.11Å; Q137-E153 WeakPolarHBondContact CA-OE1 3.25Å |
| 138 | E | 98.1 | Very high | 97.5 | Very high | 130 Ų | 130 | 78.7 Ų | 78.7 | 61% | 0.607 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 177.1 | -60.9 | 74.1 | -161 | 0 | 0 | 111.9 | T136 Q141 Q142 | T136-E138 WeakPolarHBondContact CB-OE2 3.37Å; T136-E138 PolarHBondContact O-N 3.45Å; T136-E138 PolarHBondContact OG1-N 3.02Å; T136-E138 PolarHBondContact OG1-OE2 3.44Å; E138-Q141 PolarHBondContact O-N 3.37Å; E138-Q142 WeakPolarHBondContact O-CB 3.37Å; E138-Q142 PolarHBondContact O-N 2.82Å |
| 139 | E | 98.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.5 | -67.7 | -177.8 | 116 | 0 | 0 | 111.2 | R96 F99 V135 T136 Q141 Q142 L143 | R96-E139 IonicContact CZ-OE1 3.97Å; R96-E139 IonicContact CZ-OE2 2.73Å; R96-E139 IonicContact NH1-OE1 2.95Å; R96-E139 PolarHBondContact NH1-OE1 2.89Å; R96-E139 IonicContact NH1-OE2 2.81Å; R96-E139 PolarHBondContact NH1-OE2 3.38Å; R96-E139 IonicContact NH2-OE1 3.31Å; R96-E139 PolarHBondContact NH2-OE1 2.85Å; F99-E139 HydrophobicContact CZ-CB 4.28Å; V135-E139 WeakPolarHBondContact CA-OE2 3.29Å; V135-E139 HydrophobicContact CG1-CB 4.01Å; T136-E139 PolarHBondContact N-OE2 3.01Å; T136-E139 PolarHBondContact O-N 3.31Å; T136-E139 PolarHBondContact OG1-N 3.37Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 2.8Å; E139-Q142 PolarHBondContact O-N 2.95Å; E139-L143 PolarHBondContact O-N 3.33Å |
| 140 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T136 Q137 Q142 L143 A144 | T136-G140 PolarHBondContact O-N 3.49Å; T136-G140 VanDerWaalsContact O-N 3.11Å; Q137-G140 PolarHBondContact O-N 2.96Å; G140-Q142 PolarHBondContact O-N 3.46Å; G140-L143 PolarHBondContact O-N 2.82Å; G140-A144 WeakPolarHBondContact O-CB 3.47Å; G140-A144 PolarHBondContact O-N 2.91Å |
| 141 | Q | 98.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 177.8 | -171.4 | 62.9 | 56.3 | 0 | 0 | 112.6 | Q137 E138 E139 A144 R145 Y151 | Q137-Q141 WeakPolarHBondContact O-CB 3.29Å; Q137-Q141 PolarHBondContact O-N 3.13Å; E138-Q141 PolarHBondContact O-N 3.37Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 2.8Å; Q141-A144 PolarHBondContact O-N 3.07Å; Q141-R145 WeakPolarHBondContact O-CG 3.44Å; Q141-R145 PolarHBondContact O-N 3.01Å; Q141-R145 VanDerWaalsContact O-N 3.12Å; Q141-Y151 HydrophobicContact CB-CD1 4.29Å |
| 142 | Q | 98.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 66.7 Ų | 66.7 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 177 | -176.2 | 175.2 | 12.1 | 0 | 0 | 111.1 | E138 E139 G140 A144 R145 Q146 | E138-Q142 WeakPolarHBondContact O-CB 3.37Å; E138-Q142 PolarHBondContact O-N 2.82Å; E139-Q142 PolarHBondContact O-N 2.95Å; G140-Q142 PolarHBondContact O-N 3.46Å; Q142-A144 VanDerWaalsContact C-N 3.32Å; Q142-A144 PolarHBondContact O-N 3.34Å; Q142-R145 PolarHBondContact O-N 2.9Å; Q142-Q146 WeakPolarHBondContact O-CG 3.34Å; Q142-Q146 PolarHBondContact O-N 3.33Å; Q142-Q146 VanDerWaalsContact O-N 3.09Å |
| 143 | L | 97.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.2 | 178.2 | 58.6 | 0 | 0 | 0 | 111 | F99 I102 Y103 L122 E139 G140 R145 Q146 L147 | F99-L143 HydrophobicContact CD2-CD2 3.86Å; F99-L143 HydrophobicContact CE1-CD2 4.36Å; F99-L143 HydrophobicContact CE2-CB 3.91Å; F99-L143 HydrophobicContact CE2-CD2 3.28Å; F99-L143 HydrophobicContact CE2-CG 4.21Å; F99-L143 HydrophobicContact CZ-CB 3.72Å; F99-L143 HydrophobicContact CZ-CD2 3.59Å; F99-L143 HydrophobicContact CZ-CG 4.24Å; I102-L143 HydrophobicContact CB-CD2 4.12Å; I102-L143 HydrophobicContact CG2-CD2 3.96Å; Y103-L143 HydrophobicContact CD2-CD1 3.78Å; Y103-L143 HydrophobicContact CE1-CD1 4.06Å; Y103-L143 HydrophobicContact CE2-CD1 3.08Å; Y103-L143 HydrophobicContact CE2-CG 4.49Å; Y103-L143 HydrophobicContact CG-CD1 4.5Å; Y103-L143 WeakPolarHBondContact OH-CD1 3.41Å; L122-L143 HydrophobicContact CD2-CB 4.22Å; L122-L143 HydrophobicContact CD2-CD2 3.96Å; L122-L143 HydrophobicContact CD2-CG 4.02Å; E139-L143 PolarHBondContact O-N 3.33Å; G140-L143 PolarHBondContact O-N 2.82Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.07Å; L143-Q146 WeakPolarHBondContact O-CB 3.36Å; L143-Q146 PolarHBondContact O-N 2.98Å; L143-L147 HydrophobicContact CD1-CD1 3.82Å; L143-L147 HydrophobicContact CD1-CD2 4.41Å; L143-L147 HydrophobicContact CD1-CG 3.88Å; L143-L147 HydrophobicContact CD2-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 HydrophobicContact CG-CG 4.26Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.33Å |
| 144 | A | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 G140 Q141 Q142 L147 K148 V149 Y151 | L122-A144 HydrophobicContact CD2-CB 4.17Å; G140-A144 WeakPolarHBondContact O-CB 3.47Å; G140-A144 PolarHBondContact O-N 2.91Å; Q141-A144 PolarHBondContact O-N 3.07Å; Q142-A144 VanDerWaalsContact C-N 3.32Å; Q142-A144 PolarHBondContact O-N 3.34Å; A144-L147 CarbonylContact O-C 3.6Å; A144-L147 PolarHBondContact O-N 3.09Å; A144-K148 WeakPolarHBondContact O-CA 3.34Å; A144-K148 PolarHBondContact O-N 3.31Å; A144-V149 CarbonylContact C-O 3.59Å; A144-V149 HydrophobicContact CB-CG2 4.32Å; A144-V149 WeakPolarHBondContact CB-O 3.39Å; A144-V149 PolarHBondContact O-N 3.22Å; A144-Y151 VanDerWaalsContact CB-CB 3.45Å; A144-Y151 HydrophobicContact CB-CG 4.44Å |
| 145 | R | 97.7 | Very high | 97.8 | Very high | 181 Ų | 181 | 54.1 Ų | 54.1 | 68% | 0.683 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 174.3 | -70.9 | 173.8 | -168.8 | 153.8 | 4.5 | 112 | Q141 Q142 L143 L147 K148 | Q141-R145 WeakPolarHBondContact O-CG 3.44Å; Q141-R145 PolarHBondContact O-N 3.01Å; Q141-R145 VanDerWaalsContact O-N 3.12Å; Q142-R145 PolarHBondContact O-N 2.9Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.07Å; R145-L147 VanDerWaalsContact C-N 3.33Å; R145-K148 PolarHBondContact O-N 3.47Å |
| 146 | Q | 96.6 | Very high | 97.7 | Very high | 115 Ų | 115 | 54.3 Ų | 54.3 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.1 | -70.5 | 170.9 | -26.1 | 0 | 0 | 111.7 | Y103 Q142 L143 K148 | Y103-Q146 PolarHBondContact OH-OE1 3.18Å; Q142-Q146 WeakPolarHBondContact O-CG 3.34Å; Q142-Q146 PolarHBondContact O-N 3.33Å; Q142-Q146 VanDerWaalsContact O-N 3.09Å; L143-Q146 WeakPolarHBondContact O-CB 3.36Å; L143-Q146 PolarHBondContact O-N 2.98Å; Q146-K148 VanDerWaalsContact C-N 3.34Å |
| 147 | L | 96.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -84.3 | -5.9 | 179.3 | -60.6 | -177.5 | 0 | 0 | 0 | 113.8 | I102 Y103 Q106 L143 A144 R145 V149 | I102-L147 HydrophobicContact CG2-CD1 3.8Å; Y103-L147 HydrophobicContact CD1-CD2 3.77Å; Y103-L147 HydrophobicContact CE1-CD2 3.49Å; Y103-L147 VanDerWaalsContact CE1-CD2 3.49Å; Y103-L147 HydrophobicContact CE1-CG 4.44Å; Q106-L147 HydrophobicContact CB-CD1 4.49Å; Q106-L147 HydrophobicContact CB-CD2 4.45Å; Q106-L147 HydrophobicContact CG-CD1 4.41Å; Q106-L147 HydrophobicContact CG-CD2 4.05Å; L143-L147 HydrophobicContact CD1-CD1 3.82Å; L143-L147 HydrophobicContact CD1-CD2 4.41Å; L143-L147 HydrophobicContact CD1-CG 3.88Å; L143-L147 HydrophobicContact CD2-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 HydrophobicContact CG-CG 4.26Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.33Å; A144-L147 CarbonylContact O-C 3.6Å; A144-L147 PolarHBondContact O-N 3.09Å; R145-L147 VanDerWaalsContact C-N 3.33Å; L147-V149 VanDerWaalsContact C-N 3.31Å; L147-V149 HydrophobicContact CB-CG1 4.38Å; L147-V149 HydrophobicContact CB-CG2 3.98Å; L147-V149 PolarHBondContact O-N 3.28Å |
| 148 | K | 96.2 | Very high | 97.4 | Very high | 140 Ų | 140 | 57 Ų | 57 | 61% | 0.609 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 38.6 | -172.9 | -55.5 | 176 | 176.7 | 174.9 | 0 | 114 | E117 A144 R145 Q146 | E117-K148 HydrophobicContact CG-CD 4.26Å; E117-K148 WeakPolarHBondContact OE1-CD 3.34Å; E117-K148 IonicContact OE1-NZ 3.99Å; E117-K148 PolarHBondContact OE1-NZ 2.72Å; A144-K148 WeakPolarHBondContact O-CA 3.34Å; A144-K148 PolarHBondContact O-N 3.31Å; R145-K148 PolarHBondContact O-N 3.47Å; Q146-K148 VanDerWaalsContact C-N 3.34Å |
| 149 | V | 97.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 25% | 0.25 | C | C | . | . | trans | -120.3 | 160.5 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | M120 L122 A144 L147 | M120-V149 HydrophobicContact CB-CG1 3.72Å; L122-V149 HydrophobicContact CB-CG2 3.89Å; A144-V149 CarbonylContact C-O 3.59Å; A144-V149 HydrophobicContact CB-CG2 4.32Å; A144-V149 WeakPolarHBondContact CB-O 3.39Å; A144-V149 PolarHBondContact O-N 3.22Å; L147-V149 VanDerWaalsContact C-N 3.31Å; L147-V149 HydrophobicContact CB-CG1 4.38Å; L147-V149 HydrophobicContact CB-CG2 3.98Å; L147-V149 PolarHBondContact O-N 3.28Å | ||
| 150 | T | 97.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.6 | 171.1 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | L122 E168 | L122-T150 PolarHBondContact N-O 2.82Å; T150-E168 HydrophobicContact CG2-CG 4.34Å |
| 151 | Y | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 142.6 | 173.5 | 173.1 | -120.6 | 0 | 0 | 0 | 112.2 | F91 L122 Q137 Q141 A144 E153 | F91-Y151 AromaticContact CE1-CE2 3.75Å; F91-Y151 HydrophobicContact CE1-CE2 3.75Å; F91-Y151 AromaticContact CZ-CE2 3.76Å; F91-Y151 HydrophobicContact CZ-CE2 3.76Å; L122-Y151 HydrophobicContact CB-CD2 4.11Å; L122-Y151 HydrophobicContact CD2-CD2 3.84Å; L122-Y151 HydrophobicContact CD2-CE2 4.44Å; L122-Y151 HydrophobicContact CD2-CG 4.48Å; L122-Y151 HydrophobicContact CG-CD2 3.73Å; L122-Y151 HydrophobicContact CG-CE2 4.32Å; L122-Y151 WeakPolarHBondContact O-CA 3.34Å; L122-Y151 WeakPolarHBondContact O-CD2 3.34Å; Q137-Y151 HydrophobicContact CG-CE1 4.11Å; Q141-Y151 HydrophobicContact CB-CD1 4.29Å; A144-Y151 VanDerWaalsContact CB-CB 3.45Å; A144-Y151 HydrophobicContact CB-CG 4.44Å; Y151-E153 HydrophobicContact CE1-CG 4.06Å; Y151-E153 HydrophobicContact CE2-CG 4.44Å; Y151-E153 WeakPolarHBondContact OH-CG 3.41Å; Y151-E153 PolarHBondContact OH-OE1 3.17Å |
| 152 | M | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 134.8 | 178.7 | 176.3 | 177.8 | -63.9 | 0 | 0 | 110.1 | L122 V123 G124 N161 Q164 A165 | L122-M152 PolarHBondContact O-N 3.05Å; V123-M152 VanDerWaalsContact CA-O 3.29Å; V123-M152 WeakPolarHBondContact CA-O 3.41Å; G124-M152 PolarHBondContact N-O 3.26Å; M152-N161 HydrophobicContact CG-CB 3.82Å; M152-N161 HydrophobicContact SD-CB 3.68Å; M152-Q164 HydrophobicContact CE-CB 3.79Å; M152-Q164 HydrophobicContact SD-CB 3.91Å; M152-A165 HydrophobicContact SD-CB 3.77Å; M152-A165 PolarHBondContact SD-N 2.91Å; M152-A165 VanDerWaalsContact SD-N 3.44Å |
| 153 | E | 98.5 | Very high | 97 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.2 | 165.8 | -70.8 | -164.6 | 177.3 | 0 | 0 | 110.2 | G124 A127 R133 Q137 Y151 M160 N161 | G124-E153 CarbonylContact O-C 3.55Å; G124-E153 VanDerWaalsContact O-CA 3.31Å; G124-E153 WeakPolarHBondContact O-CA 3.44Å; A127-E153 HydrophobicContact CB-CB 3.97Å; R133-E153 IonicContact CZ-OE1 3.17Å; R133-E153 IonicContact CZ-OE2 2.8Å; R133-E153 IonicContact NH1-OE1 2.74Å; R133-E153 PolarHBondContact NH1-OE1 3.14Å; R133-E153 IonicContact NH1-OE2 3.93Å; R133-E153 PolarHBondContact NH1-OE2 3.41Å; R133-E153 IonicContact NH2-OE1 2.88Å; R133-E153 IonicContact NH2-OE2 3.68Å; R133-E153 PolarHBondContact NH2-OE2 2.65Å; Q137-E153 WeakPolarHBondContact CA-OE1 3.25Å; Y151-E153 HydrophobicContact CE1-CG 4.06Å; Y151-E153 HydrophobicContact CE2-CG 4.44Å; Y151-E153 WeakPolarHBondContact OH-CG 3.41Å; Y151-E153 PolarHBondContact OH-OE1 3.17Å; E153-M160 HydrophobicContact CB-CE 4.37Å; E153-N161 WeakPolarHBondContact O-CB 3.25Å; E153-N161 PolarHBondContact O-ND2 3.37Å |
| 154 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -133.6 | 160 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L28 V123 G124 N125 K126 A127 M160 N161 | L28-A154 HydrophobicContact CD2-CB 4.09Å; V123-A154 HydrophobicContact CG1-CB 3.74Å; G124-A154 PolarHBondContact O-N 3.09Å; N125-A154 CarbonylContact C-O 3.58Å; N125-A154 VanDerWaalsContact CA-O 3.29Å; N125-A154 WeakPolarHBondContact CA-O 3.48Å; N125-A154 PolarHBondContact OD1-O 2.79Å; K126-A154 PolarHBondContact N-O 3.4Å; A127-A154 PolarHBondContact N-O 3.01Å; A127-A154 VanDerWaalsContact N-O 3.13Å; A154-M160 CarbonylContact C-O 3.56Å; A154-M160 VanDerWaalsContact CA-O 3.28Å; A154-M160 WeakPolarHBondContact CA-O 3.31Å; A154-M160 WeakPolarHBondContact CB-O 3.41Å; A154-N161 HydrophobicContact CB-CB 4.27Å | ||
| 155 | S | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -137.1 | 112.6 | 164.5 | 172.5 | 0 | 0 | 0 | 0 | 109 | D128 K157 I158 R159 M160 | D128-S155 VanDerWaalsContact CG-OG 3.29Å; D128-S155 VanDerWaalsContact OD1-CB 3.28Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.94Å; S155-K157 PolarHBondContact O-N 3.34Å; S155-K157 PolarHBondContact OG-N 2.93Å; S155-I158 WeakPolarHBondContact OG-CG1 3.29Å; S155-I158 PolarHBondContact OG-N 3.23Å; S155-R159 CarbonylContact O-C 3.37Å; S155-R159 VanDerWaalsContact O-CA 3.25Å; S155-R159 WeakPolarHBondContact O-CA 3.47Å; S155-R159 PolarHBondContact O-N 2.79Å; S155-M160 PolarHBondContact N-O 2.87Å; S155-M160 PolarHBondContact O-N 3.47Å |
| 156 | A | 95.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A27 L28 Q31 F37 N125 R159 | A27-A156 HydrophobicContact CB-CB 3.65Å; L28-A156 HydrophobicContact CD2-CB 3.98Å; L28-A156 HydrophobicContact CG-CB 4.23Å; Q31-A156 WeakPolarHBondContact CG-O 3.36Å; Q31-A156 PolarHBondContact NE2-O 3.07Å; F37-A156 HydrophobicContact CD2-CB 4.28Å; F37-A156 WeakPolarHBondContact CD2-O 3.28Å; F37-A156 HydrophobicContact CE2-CB 4.06Å; N125-A156 PolarHBondContact OD1-N 3.26Å; A156-R159 PolarHBondContact O-N 3.05Å |
| 157 | K | 94.1 | Very high | 97.1 | Very high | 121 Ų | 121 | 43.3 Ų | 43.3 | 53% | 0.526 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -48.9 | -175.7 | -174.6 | -173.6 | -178.5 | -179.4 | 0 | 112.8 | F37 D128 S155 | F37-K157 HydrophobicContact CE1-CG 4.28Å; F37-K157 HydrophobicContact CE2-CB 4.2Å; F37-K157 HydrophobicContact CZ-CB 4.2Å; F37-K157 HydrophobicContact CZ-CG 4.43Å; D128-K157 VanDerWaalsContact OD2-CD 3.25Å; D128-K157 WeakPolarHBondContact OD2-CD 3.21Å; D128-K157 IonicContact OD2-NZ 3.6Å; S155-K157 PolarHBondContact O-N 3.34Å; S155-K157 PolarHBondContact OG-N 2.93Å |
| 158 | I | 94.7 | Very high | 97.2 | Very high | 105 Ų | 105 | 45 Ų | 45 | 54% | 0.538 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9 | -179 | 63.9 | 163.7 | 0 | 0 | 0 | 113 | D128 S155 M160 | D128-I158 HydrophobicContact CB-CD1 4.29Å; D128-I158 HydrophobicContact CB-CG1 4.36Å; S155-I158 WeakPolarHBondContact OG-CG1 3.29Å; S155-I158 PolarHBondContact OG-N 3.23Å; I158-M160 HydrophobicContact CD1-CB 3.98Å; I158-M160 HydrophobicContact CG1-CB 3.92Å; I158-M160 PolarHBondContact O-N 2.97Å |
| 159 | R | 94.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.5 | -175.8 | -160.3 | 177.2 | 173 | 162 | 6.7 | 113.7 | Q31 S35 S155 A156 N161 V162 D163 | Q31-R159 HydrophobicContact CG-CB 4.18Å; Q31-R159 HydrophobicContact CG-CG 3.89Å; S35-R159 PolarHBondContact OG-NH1 3.37Å; S35-R159 PolarHBondContact OG-NH2 2.78Å; S155-R159 CarbonylContact O-C 3.37Å; S155-R159 VanDerWaalsContact O-CA 3.25Å; S155-R159 WeakPolarHBondContact O-CA 3.47Å; S155-R159 PolarHBondContact O-N 2.79Å; A156-R159 PolarHBondContact O-N 3.05Å; R159-N161 PolarHBondContact O-N 3.41Å; R159-V162 HydrophobicContact CG-CB 4.21Å; R159-V162 HydrophobicContact CG-CG2 4.26Å; R159-D163 IonicContact CZ-OD2 3.76Å; R159-D163 IonicContact NE-OD2 3.38Å; R159-D163 PolarHBondContact NE-OD2 2.94Å; R159-D163 IonicContact NH2-OD1 2.81Å; R159-D163 PolarHBondContact NH2-OD1 2.8Å; R159-D163 IonicContact NH2-OD2 2.73Å; R159-D163 PolarHBondContact NH2-OD2 3.13Å; R159-D163 VanDerWaalsContact NH2-OD2 3.09Å |
| 160 | M | 97.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -74.3 | 125.2 | 174.9 | -175.8 | -179.1 | 77.6 | 0 | 0 | 109.3 | A127 E153 A154 S155 I158 V162 | A127-M160 HydrophobicContact CB-CE 3.46Å; A127-M160 VanDerWaalsContact CB-CE 3.46Å; E153-M160 HydrophobicContact CB-CE 4.37Å; A154-M160 CarbonylContact C-O 3.56Å; A154-M160 VanDerWaalsContact CA-O 3.28Å; A154-M160 WeakPolarHBondContact CA-O 3.31Å; A154-M160 WeakPolarHBondContact CB-O 3.41Å; S155-M160 PolarHBondContact N-O 2.87Å; S155-M160 PolarHBondContact O-N 3.47Å; I158-M160 HydrophobicContact CD1-CB 3.98Å; I158-M160 HydrophobicContact CG1-CB 3.92Å; I158-M160 PolarHBondContact O-N 2.97Å; M160-V162 PolarHBondContact O-N 2.84Å |
| 161 | N | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 15 | 173.5 | -72.2 | -21.7 | 0 | 0 | 0 | 115.9 | M152 E153 A154 R159 Q164 A165 | M152-N161 HydrophobicContact CG-CB 3.82Å; M152-N161 HydrophobicContact SD-CB 3.68Å; E153-N161 WeakPolarHBondContact O-CB 3.25Å; E153-N161 PolarHBondContact O-ND2 3.37Å; A154-N161 HydrophobicContact CB-CB 4.27Å; R159-N161 PolarHBondContact O-N 3.41Å; N161-Q164 VanDerWaalsContact C-OE1 3.32Å; N161-A165 WeakPolarHBondContact O-CB 3.4Å; N161-A165 PolarHBondContact O-N 2.99Å |
| 162 | V | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -57.1 | -178.7 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | L28 Q31 F32 R159 M160 Q164 A165 F166 | L28-V162 HydrophobicContact CD2-CG2 3.89Å; Q31-V162 HydrophobicContact CB-CG1 4.25Å; Q31-V162 HydrophobicContact CG-CG1 4.2Å; Q31-V162 HydrophobicContact CG-CG2 4.18Å; F32-V162 HydrophobicContact CB-CG1 3.82Å; R159-V162 HydrophobicContact CG-CB 4.21Å; R159-V162 HydrophobicContact CG-CG2 4.26Å; M160-V162 PolarHBondContact O-N 2.84Å; V162-Q164 VanDerWaalsContact C-N 3.27Å; V162-Q164 PolarHBondContact O-N 2.92Å; V162-A165 PolarHBondContact O-N 3.48Å; V162-F166 HydrophobicContact CG1-CE2 4.41Å; V162-F166 VanDerWaalsContact O-CD2 3.29Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å |
| 163 | D | 96.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 179.3 | -62.7 | -89.4 | 0 | 0 | 0 | 111.4 | F32 K51 R159 A165 F166 H167 | F32-D163 HydrophobicContact CD2-CB 4.33Å; F32-D163 WeakPolarHBondContact CD2-OD1 3.41Å; F32-D163 HydrophobicContact CE2-CB 4.27Å; K51-D163 IonicContact NZ-OD1 3.1Å; R159-D163 IonicContact CZ-OD2 3.76Å; R159-D163 IonicContact NE-OD2 3.38Å; R159-D163 PolarHBondContact NE-OD2 2.94Å; R159-D163 IonicContact NH2-OD1 2.81Å; R159-D163 PolarHBondContact NH2-OD1 2.8Å; R159-D163 IonicContact NH2-OD2 2.73Å; R159-D163 PolarHBondContact NH2-OD2 3.13Å; R159-D163 VanDerWaalsContact NH2-OD2 3.09Å; D163-A165 PolarHBondContact O-N 3Å; D163-F166 PolarHBondContact O-N 3.46Å; D163-H167 WeakPolarHBondContact O-CB 3.36Å; D163-H167 PolarHBondContact O-CD2 3.45Å; D163-H167 PolarHBondContact O-N 2.94Å |
| 164 | Q | 97.9 | Very high | 97.2 | Very high | 91 Ų | 91 | 37.5 Ų | 37.5 | 43% | 0.425 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 179.1 | -67.1 | 77.6 | -2 | 0 | 0 | 111.9 | M152 N161 V162 H167 E168 | M152-Q164 HydrophobicContact CE-CB 3.79Å; M152-Q164 HydrophobicContact SD-CB 3.91Å; N161-Q164 VanDerWaalsContact C-OE1 3.32Å; V162-Q164 VanDerWaalsContact C-N 3.27Å; V162-Q164 PolarHBondContact O-N 2.92Å; Q164-H167 PolarHBondContact O-N 3.47Å; Q164-E168 WeakPolarHBondContact O-CB 3.28Å; Q164-E168 PolarHBondContact O-N 3.34Å |
| 165 | A | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -51.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L88 I121 V123 M152 N161 V162 D163 H167 E168 L169 | L88-A165 HydrophobicContact CD2-CB 4.07Å; I121-A165 HydrophobicContact CD1-CB 3.96Å; I121-A165 WeakPolarHBondContact CD1-O 3.43Å; V123-A165 HydrophobicContact CG2-CB 4.16Å; M152-A165 HydrophobicContact SD-CB 3.77Å; M152-A165 PolarHBondContact SD-N 2.91Å; M152-A165 VanDerWaalsContact SD-N 3.44Å; N161-A165 WeakPolarHBondContact O-CB 3.4Å; N161-A165 PolarHBondContact O-N 2.99Å; V162-A165 PolarHBondContact O-N 3.48Å; D163-A165 PolarHBondContact O-N 3Å; A165-H167 PolarHBondContact O-N 3.25Å; A165-E168 PolarHBondContact O-N 2.91Å; A165-L169 PolarHBondContact O-N 3.3Å; A165-L169 VanDerWaalsContact O-N 3.09Å |
| 166 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 179.9 | -70.4 | -82.8 | 0 | 0 | 0 | 112.4 | L15 V17 L28 F32 I64 L88 V162 D163 L169 V170 | L15-F166 HydrophobicContact CD1-CD1 4.04Å; V17-F166 HydrophobicContact CG2-CE1 3.99Å; V17-F166 HydrophobicContact CG2-CZ 4.25Å; L28-F166 HydrophobicContact CB-CE2 4.49Å; F32-F166 HydrophobicContact CB-CD2 3.75Å; F32-F166 HydrophobicContact CB-CE2 3.61Å; F32-F166 HydrophobicContact CB-CZ 4.37Å; F32-F166 HydrophobicContact CD1-CB 4.21Å; F32-F166 HydrophobicContact CD1-CD1 4.14Å; F32-F166 AromaticContact CD1-CD2 3.71Å; F32-F166 HydrophobicContact CD1-CD2 3.71Å; F32-F166 HydrophobicContact CD1-CE1 4.46Å; F32-F166 HydrophobicContact CD1-CE2 4.09Å; F32-F166 AromaticContact CD1-CG 3.75Å; F32-F166 HydrophobicContact CD1-CG 3.75Å; F32-F166 HydrophobicContact CD1-CZ 4.45Å; F32-F166 HydrophobicContact CD2-CB 4.28Å; F32-F166 AromaticContact CD2-CD2 3.77Å; F32-F166 HydrophobicContact CD2-CD2 3.77Å; F32-F166 HydrophobicContact CD2-CE2 4.5Å; F32-F166 HydrophobicContact CD2-CG 4.25Å; F32-F166 HydrophobicContact CE1-CB 3.78Å; F32-F166 HydrophobicContact CE1-CD1 4.21Å; F32-F166 HydrophobicContact CE1-CD2 4.18Å; F32-F166 AromaticContact CE1-CG 3.8Å; F32-F166 HydrophobicContact CE1-CG 3.8Å; F32-F166 HydrophobicContact CE2-CB 3.88Å; F32-F166 HydrophobicContact CE2-CD2 4.25Å; F32-F166 HydrophobicContact CE2-CG 4.31Å; F32-F166 HydrophobicContact CG-CB 4.43Å; F32-F166 AromaticContact CG-CD2 3.46Å; F32-F166 HydrophobicContact CG-CD2 3.46Å; F32-F166 VanDerWaalsContact CG-CD2 3.46Å; F32-F166 AromaticContact CG-CE2 3.84Å; F32-F166 HydrophobicContact CG-CE2 3.84Å; F32-F166 AromaticContact CG-CG 3.97Å; F32-F166 HydrophobicContact CG-CG 3.97Å; F32-F166 HydrophobicContact CZ-CB 3.61Å; F32-F166 HydrophobicContact CZ-CD2 4.44Å; F32-F166 HydrophobicContact CZ-CG 4.1Å; I64-F166 HydrophobicContact CD1-CD1 4.03Å; I64-F166 HydrophobicContact CD1-CE1 3.96Å; I64-F166 HydrophobicContact CG2-CE1 4.02Å; L88-F166 HydrophobicContact CD1-CD1 3.79Å; L88-F166 HydrophobicContact CD1-CE1 3.81Å; L88-F166 HydrophobicContact CD2-CD1 4.22Å; L88-F166 HydrophobicContact CD2-CE1 4.01Å; L88-F166 HydrophobicContact CD2-CE2 4.35Å; L88-F166 HydrophobicContact CD2-CG 4.49Å; L88-F166 HydrophobicContact CD2-CZ 4.08Å; V162-F166 HydrophobicContact CG1-CE2 4.41Å; V162-F166 VanDerWaalsContact O-CD2 3.29Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å; D163-F166 PolarHBondContact O-N 3.46Å; F166-L169 PolarHBondContact O-N 3.4Å; F166-V170 WeakPolarHBondContact O-CG2 3.37Å; F166-V170 PolarHBondContact O-N 2.96Å |
| 167 | H | 98 | Very high | 96.8 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 18% | 0.181 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 177.5 | -67.8 | -178.1 | 0 | 0 | 0 | 112.1 | F32 I55 D163 Q164 A165 L169 V170 R171 | F32-H167 AromaticContact CE2-NE2 3.86Å; I55-H167 HydrophobicContact CD1-CB 4.48Å; I55-H167 HydrophobicContact CG2-CB 4.2Å; D163-H167 WeakPolarHBondContact O-CB 3.36Å; D163-H167 PolarHBondContact O-CD2 3.45Å; D163-H167 PolarHBondContact O-N 2.94Å; Q164-H167 PolarHBondContact O-N 3.47Å; A165-H167 PolarHBondContact O-N 3.25Å; H167-L169 VanDerWaalsContact C-N 3.34Å; H167-L169 PolarHBondContact O-N 2.83Å; H167-V170 WeakPolarHBondContact O-CB 3.43Å; H167-V170 PolarHBondContact O-N 3.43Å; H167-R171 PolarHBondContact O-N 3.12Å; H167-R171 VanDerWaalsContact O-N 3.1Å |
| 168 | E | 98.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.1 | -172.2 | 59.1 | -160.8 | 0 | 0 | 111.4 | I121 T150 Q164 A165 V170 R171 V172 | I121-E168 HydrophobicContact CG2-CG 4.41Å; T150-E168 HydrophobicContact CG2-CG 4.34Å; Q164-E168 WeakPolarHBondContact O-CB 3.28Å; Q164-E168 PolarHBondContact O-N 3.34Å; A165-E168 PolarHBondContact O-N 2.91Å; E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3.19Å; E168-R171 WeakPolarHBondContact O-CB 3.5Å; E168-R171 PolarHBondContact O-N 3.27Å; E168-R171 VanDerWaalsContact O-N 3.1Å; E168-R171 IonicContact OE2-CZ 2.8Å; E168-R171 IonicContact OE2-NH1 3.53Å; E168-R171 PolarHBondContact OE2-NH1 3.49Å; E168-V172 WeakPolarHBondContact O-CG2 3.25Å; E168-V172 PolarHBondContact O-N 2.94Å |
| 169 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.7 | -178.4 | 60.6 | 0 | 0 | 0 | 112 | L15 L88 I121 A165 F166 H167 R171 V172 I173 | L15-L169 HydrophobicContact CB-CD2 4.34Å; L15-L169 HydrophobicContact CD1-CD2 4.44Å; L15-L169 HydrophobicContact CD2-CD2 3.85Å; L15-L169 HydrophobicContact CD2-CG 4.17Å; L15-L169 HydrophobicContact CG-CD2 4.43Å; L88-L169 HydrophobicContact CD1-CB 4.41Å; L88-L169 HydrophobicContact CD1-CD2 3.25Å; L88-L169 HydrophobicContact CD1-CG 4.45Å; L88-L169 HydrophobicContact CG-CD2 4.11Å; I121-L169 HydrophobicContact CD1-CB 4.15Å; I121-L169 HydrophobicContact CG1-CB 4.25Å; I121-L169 HydrophobicContact CG2-CB 4.38Å; I121-L169 HydrophobicContact CG2-CD1 4.27Å; A165-L169 PolarHBondContact O-N 3.3Å; A165-L169 VanDerWaalsContact O-N 3.09Å; F166-L169 PolarHBondContact O-N 3.4Å; H167-L169 VanDerWaalsContact C-N 3.34Å; H167-L169 PolarHBondContact O-N 2.83Å; L169-R171 VanDerWaalsContact C-N 3.3Å; L169-R171 PolarHBondContact O-N 2.72Å; L169-V172 PolarHBondContact O-N 3.23Å; L169-I173 HydrophobicContact CG-CD1 4.15Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.27Å |
| 170 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | Y13 L15 I55 L62 F166 H167 E168 I173 R174 | Y13-V170 HydrophobicContact CD2-CG1 3.97Å; Y13-V170 HydrophobicContact CD2-CG2 4.4Å; Y13-V170 HydrophobicContact CE1-CG1 4.35Å; Y13-V170 HydrophobicContact CE2-CG1 3.74Å; Y13-V170 HydrophobicContact CG-CG1 4.35Å; Y13-V170 HydrophobicContact CG-CG2 4.45Å; L15-V170 HydrophobicContact CD1-CG2 4.26Å; L15-V170 HydrophobicContact CD2-CG2 4.45Å; I55-V170 HydrophobicContact CD1-CB 3.82Å; I55-V170 HydrophobicContact CD1-CG1 3.87Å; I55-V170 HydrophobicContact CD1-CG2 3.7Å; I55-V170 HydrophobicContact CG2-CG1 4.42Å; L62-V170 HydrophobicContact CD1-CG2 4.37Å; L62-V170 HydrophobicContact CD2-CG2 3.49Å; L62-V170 VanDerWaalsContact CD2-CG2 3.49Å; F166-V170 WeakPolarHBondContact O-CG2 3.37Å; F166-V170 PolarHBondContact O-N 2.96Å; H167-V170 WeakPolarHBondContact O-CB 3.43Å; H167-V170 PolarHBondContact O-N 3.43Å; E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3.19Å; V170-I173 PolarHBondContact O-N 2.56Å; V170-R174 WeakPolarHBondContact O-CG 3.43Å; V170-R174 PolarHBondContact O-N 2.97Å |
| 171 | R | 97.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 52 Ų | 52 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.4 | -65.6 | -179.9 | -171.9 | 124.5 | 1 | 112.2 | D56 H167 E168 L169 I173 R174 K175 | D56-R171 IonicContact OD1-CZ 3.75Å; D56-R171 IonicContact OD1-NE 3.54Å; D56-R171 PolarHBondContact OD1-NE 3.37Å; D56-R171 IonicContact OD1-NH2 3.89Å; D56-R171 PolarHBondContact OD1-NH2 3.38Å; D56-R171 WeakPolarHBondContact OD2-CD 3.37Å; D56-R171 VanDerWaalsContact OD2-CG 3.29Å; D56-R171 WeakPolarHBondContact OD2-CG 3.36Å; D56-R171 IonicContact OD2-CZ 3.45Å; D56-R171 IonicContact OD2-NE 2.89Å; D56-R171 PolarHBondContact OD2-NE 3.35Å; D56-R171 IonicContact OD2-NH2 3.96Å; H167-R171 PolarHBondContact O-N 3.12Å; H167-R171 VanDerWaalsContact O-N 3.1Å; E168-R171 WeakPolarHBondContact O-CB 3.5Å; E168-R171 PolarHBondContact O-N 3.27Å; E168-R171 VanDerWaalsContact O-N 3.1Å; E168-R171 IonicContact OE2-CZ 2.8Å; E168-R171 IonicContact OE2-NH1 3.53Å; E168-R171 PolarHBondContact OE2-NH1 3.49Å; L169-R171 VanDerWaalsContact C-N 3.3Å; L169-R171 PolarHBondContact O-N 2.72Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 3.08Å; R171-R174 PolarHBondContact O-N 2.8Å; R171-K175 WeakPolarHBondContact O-CB 3.13Å; R171-K175 PolarHBondContact O-N 3.05Å |
| 172 | V | 97.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 54 Ų | 54 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | P119 I121 E168 L169 K175 F176 | P119-V172 HydrophobicContact CB-CG1 3.9Å; I121-V172 HydrophobicContact CG2-CG2 4.21Å; E168-V172 WeakPolarHBondContact O-CG2 3.25Å; E168-V172 PolarHBondContact O-N 2.94Å; L169-V172 PolarHBondContact O-N 3.23Å; V172-K175 PolarHBondContact O-N 3.07Å; V172-F176 WeakPolarHBondContact O-CB 3.34Å; V172-F176 PolarHBondContact O-N 3.42Å |
| 173 | I | 97.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.2 | -65.2 | 166.7 | 0 | 0 | 0 | 111.1 | Y13 L15 E85 P119 L169 V170 R171 K175 F176 Q177 | Y13-I173 HydrophobicContact CD1-CB 4.41Å; Y13-I173 HydrophobicContact CD1-CD1 4.42Å; Y13-I173 HydrophobicContact CD1-CG2 3.82Å; Y13-I173 HydrophobicContact CE1-CG2 4.04Å; L15-I173 HydrophobicContact CD2-CD1 3.35Å; E85-I173 HydrophobicContact CB-CD1 4.35Å; E85-I173 HydrophobicContact CB-CG2 4.46Å; E85-I173 WeakPolarHBondContact O-CG1 3.35Å; P119-I173 HydrophobicContact CB-CB 4.43Å; P119-I173 HydrophobicContact CB-CG1 3.63Å; P119-I173 HydrophobicContact CG-CG1 4.21Å; L169-I173 HydrophobicContact CG-CD1 4.15Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.27Å; V170-I173 PolarHBondContact O-N 2.56Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 3.08Å; I173-K175 PolarHBondContact O-N 2.94Å; I173-F176 WeakPolarHBondContact O-CB 3.13Å; I173-F176 PolarHBondContact O-N 2.81Å; I173-Q177 HydrophobicContact CG2-CG 4.31Å; I173-Q177 WeakPolarHBondContact O-CG 3.46Å; I173-Q177 PolarHBondContact O-N 3.38Å |
| 174 | R | 95.9 | Very high | 88.6 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.5 | -50 | 178.5 | -74.9 | 171.1 | 171.8 | 170.5 | -1 | 111.5 | E11 Y13 I55 R58 V170 R171 F176 Q177 E178 | E11-R174 IonicContact OE2-NE 2.96Å; E11-R174 IonicContact OE2-NH2 3.35Å; Y13-R174 HydrophobicContact CE1-CG 4.22Å; Y13-R174 WeakPolarHBondContact OH-CG 3.44Å; Y13-R174 PolarHBondContact OH-NE 2.95Å; I55-R174 PolarHBondContact O-NH1 2.9Å; R58-R174 VanDerWaalsContact CB-NH2 3.34Å; V170-R174 WeakPolarHBondContact O-CG 3.43Å; V170-R174 PolarHBondContact O-N 2.97Å; R171-R174 PolarHBondContact O-N 2.8Å; R174-F176 VanDerWaalsContact C-N 3.29Å; R174-F176 PolarHBondContact O-N 3.25Å; R174-Q177 PolarHBondContact O-N 3.35Å; R174-E178 WeakPolarHBondContact O-CG 3.23Å; R174-E178 PolarHBondContact O-N 3.08Å |
| 175 | K | 95.4 | Very high | 86.8 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 178.3 | -177 | 179 | 178 | -175.7 | 0 | 112.2 | R171 V172 I173 Q179 | R171-K175 WeakPolarHBondContact O-CB 3.13Å; R171-K175 PolarHBondContact O-N 3.05Å; V172-K175 PolarHBondContact O-N 3.07Å; I173-K175 PolarHBondContact O-N 2.94Å; K175-Q179 WeakPolarHBondContact O-CG 3.35Å; K175-Q179 PolarHBondContact O-N 3.11Å |
| 176 | F | 94.9 | Very high | 84.8 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 19% | 0.193 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.3 | -178.7 | -94.4 | 0 | 0 | 0 | 111.9 | F118 P119 V172 I173 R174 E178 Q179 E180 | F118-F176 HydrophobicContact CD2-CE1 4.4Å; F118-F176 HydrophobicContact CD2-CZ 4.13Å; F118-F176 HydrophobicContact CE2-CE1 4.18Å; F118-F176 HydrophobicContact CE2-CZ 4.33Å; P119-F176 HydrophobicContact CG-CB 3.52Å; P119-F176 HydrophobicContact CG-CD1 3.75Å; P119-F176 HydrophobicContact CG-CD2 4.09Å; P119-F176 HydrophobicContact CG-CE1 4.49Å; P119-F176 HydrophobicContact CG-CG 3.51Å; V172-F176 WeakPolarHBondContact O-CB 3.34Å; V172-F176 PolarHBondContact O-N 3.42Å; I173-F176 WeakPolarHBondContact O-CB 3.13Å; I173-F176 PolarHBondContact O-N 2.81Å; R174-F176 VanDerWaalsContact C-N 3.29Å; R174-F176 PolarHBondContact O-N 3.25Å; F176-E178 PolarHBondContact O-N 3.3Å; F176-Q179 PolarHBondContact O-N 2.8Å; F176-E180 HydrophobicContact CD1-CG 4.33Å; F176-E180 HydrophobicContact CE1-CG 3.94Å; F176-E180 HydrophobicContact CZ-CG 4.13Å; F176-E180 WeakPolarHBondContact O-CG 3.37Å; F176-E180 PolarHBondContact O-N 3.4Å; F176-E180 VanDerWaalsContact O-N 3.16Å |
| 177 | Q | 92.5 | Very high | 82.5 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.2 | -71.2 | 173.9 | -10.8 | 0 | 0 | 112.4 | I173 R174 Q179 E180 C181 | I173-Q177 HydrophobicContact CG2-CG 4.31Å; I173-Q177 WeakPolarHBondContact O-CG 3.46Å; I173-Q177 PolarHBondContact O-N 3.38Å; R174-Q177 PolarHBondContact O-N 3.35Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q177-Q179 PolarHBondContact O-N 3.31Å; Q177-E180 PolarHBondContact O-N 3.35Å; Q177-C181 PolarHBondContact O-N 2.94Å |
| 178 | E | 90.4 | Very high | 80 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -32.5 | 175.7 | -73.4 | 172 | -177.7 | 0 | 0 | 112.7 | R174 F176 C181 P182 | R174-E178 WeakPolarHBondContact O-CG 3.23Å; R174-E178 PolarHBondContact O-N 3.08Å; F176-E178 PolarHBondContact O-N 3.3Å; E178-C181 CarbonylContact O-C 3.58Å; E178-P182 WeakPolarHBondContact O-CA 3.2Å |
| 179 | Q | 87.8 | Confident | 77.7 | Confident | 133 Ų | 133 | 92.2 Ų | 92.2 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76.3 | -36.7 | 177.3 | -70.2 | 174.6 | 9.8 | 0 | 0 | 112.7 | K175 F176 Q177 | K175-Q179 WeakPolarHBondContact O-CG 3.35Å; K175-Q179 PolarHBondContact O-N 3.11Å; F176-Q179 PolarHBondContact O-N 2.8Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q177-Q179 PolarHBondContact O-N 3.31Å |
| 180 | E | 82.3 | Confident | 75.2 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.1 | -26.2 | 179.1 | -68.5 | -82.2 | 129.8 | 0 | 0 | 112.5 | R115 F176 Q177 | R115-E180 IonicContact CZ-OE1 3.9Å; R115-E180 IonicContact CZ-OE2 3.27Å; R115-E180 VanDerWaalsContact NH1-CD 3.31Å; R115-E180 IonicContact NH1-OE1 2.84Å; R115-E180 PolarHBondContact NH1-OE1 2.99Å; R115-E180 IonicContact NH1-OE2 3.09Å; R115-E180 PolarHBondContact NH1-OE2 2.88Å; R115-E180 VanDerWaalsContact NH1-OE2 3.1Å; R115-E180 IonicContact NH2-OE1 3.19Å; R115-E180 IonicContact NH2-OE2 3.48Å; R115-E180 PolarHBondContact NH2-OE2 2.74Å; F176-E180 HydrophobicContact CD1-CG 4.33Å; F176-E180 HydrophobicContact CE1-CG 3.94Å; F176-E180 HydrophobicContact CZ-CG 4.13Å; F176-E180 WeakPolarHBondContact O-CG 3.37Å; F176-E180 PolarHBondContact O-N 3.4Å; F176-E180 VanDerWaalsContact O-N 3.16Å; Q177-E180 PolarHBondContact O-N 3.35Å |
| 181 | C | 67.1 | Low | 72.9 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 67% | 0.669 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -135.4 | 76.9 | 178.9 | -75.2 | 0 | 0 | 0 | 0 | 110.1 | Q177 E178 | Q177-C181 PolarHBondContact O-N 2.94Å; E178-C181 CarbonylContact O-C 3.58Å |
| 182 | P | 57.9 | Low | 70.4 | Confident | 97 Ų | 97 | 116 Ų | 116 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 132.7 | 177.8 | 21.8 | -30.6 | 0 | 0 | 0 | 109.7 | E178 S184 | E178-P182 WeakPolarHBondContact O-CA 3.2Å; P182-S184 PolarHBondContact O-N 2.73Å |
| 183 | P | 59.7 | Low | 67.8 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.5 | 175.9 | 23 | -31.1 | 0 | 0 | 0 | 109 | ||
| 184 | S | 57 | Low | 65.4 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.7 | 173.2 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | P182 E186 | P182-S184 PolarHBondContact O-N 2.73Å; S184-E186 PolarHBondContact O-N 3.43Å; S184-E186 VanDerWaalsContact O-N 3.16Å |
| 185 | P | 58.1 | Low | 62.9 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.7 | 179.2 | 20.9 | -30.7 | 0 | 0 | 0 | 109 | ||
| 186 | E | 57.5 | Low | 60.3 | Low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.6 | 176.2 | -69.6 | -172.4 | 143.9 | 0 | 0 | 109.5 | S184 T188 | S184-E186 PolarHBondContact O-N 3.43Å; S184-E186 VanDerWaalsContact O-N 3.16Å; E186-T188 PolarHBondContact O-N 3.34Å |
| 187 | P | 49.1 | Very low | 57.6 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -63.7 | 109.1 | 175.7 | 24.6 | -30.3 | 0 | 0 | 0 | 108.4 | R189 | P187-R189 PolarHBondContact O-N 2.81Š| ||
| 188 | T | 45.6 | Very low | 55.6 | Low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -51.5 | 112.2 | 168.7 | 24.5 | 0 | 0 | 0 | 0 | 108 | E186 K190 | E186-T188 PolarHBondContact O-N 3.34Å; T188-K190 PolarHBondContact O-N 2.95Å | ||
| 189 | R | 51.7 | Low | 53.1 | Low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -59.5 | 101.3 | 170.2 | -85.2 | -178.4 | 169.5 | -177.7 | -1.3 | 107.3 | P187 E191 | P187-R189 PolarHBondContact O-N 2.81Å; R189-E191 PolarHBondContact O-N 2.94Å; R189-E191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | K | 45.2 | Very low | 51.1 | Low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 112.4 | 166.5 | -71.2 | -173.6 | 177 | -177.6 | 0 | 107.6 | T188 K192 | T188-K190 PolarHBondContact O-N 2.95Å; K190-K192 PolarHBondContact O-N 3.21Å; K190-K192 VanDerWaalsContact O-N 3.14Å | ||
| 191 | E | 48.8 | Very low | 49.5 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -53.7 | 117.3 | 164.9 | -91.2 | 176.3 | 135 | 0 | 0 | 108.2 | R189 D193 | R189-E191 PolarHBondContact O-N 2.94Å; R189-E191 VanDerWaalsContact O-N 3.08Å; E191-D193 PolarHBondContact O-N 3.18Å; E191-D193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | K | 45.8 | Very low | 48.7 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -72.4 | 101.5 | 171.3 | -79.5 | -176 | 174.7 | -179 | 0 | 107.6 | K190 K194 | K190-K192 PolarHBondContact O-N 3.21Å; K190-K192 VanDerWaalsContact O-N 3.14Å; K192-K194 PolarHBondContact O-N 3.2Å | ||
| 193 | D | 43.2 | Very low | 48.2 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | trans | -59.4 | 118 | 170.2 | -149.9 | -2.5 | 0 | 0 | 0 | 109.3 | E191 T195 | E191-D193 PolarHBondContact O-N 3.18Å; E191-D193 VanDerWaalsContact O-N 3.09Å; D193-T195 PolarHBondContact O-N 3.35Å | ||
| 194 | K | 47.2 | Very low | 47.6 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 88% | 0.878 | 84% | 0.844 | S | S | * | * | trans | -86.6 | 87.2 | 179.8 | -74.7 | -173.8 | -179.6 | 178.2 | 0 | 108.8 | K192 G196 | K192-K194 PolarHBondContact O-N 3.2Å; K194-G196 PolarHBondContact O-N 2.87Å | ||
| 195 | T | 43.5 | Very low | 47.1 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 82% | 0.816 | 85% | 0.852 | S | S | * | * | trans | -78.3 | 107.1 | 163.1 | 28.1 | 0 | 0 | 0 | 0 | 109.4 | D193 C197 | D193-T195 PolarHBondContact O-N 3.35Å; T195-C197 PolarHBondContact O-N 2.75Å | ||
| 196 | G | 40.4 | Very low | 46.5 | Very low | 79 Ų | 79 | 160.6 Ų | 160.6 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 123.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K194 | K194-G196 PolarHBondContact O-N 2.87Š|
| 197 | C | 39.3 | Very low | 45.8 | Very low | 126 Ų | 126 | 159.6 Ų | 159.6 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 127.7 | 174.6 | -153.5 | 0 | 0 | 0 | 0 | 109.7 | T195 | T195-C197 PolarHBondContact O-N 2.75Š|
| 198 | H | 49.9 | Very low | 45.6 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 81% | 0.806 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 121.6 | 179 | -136.5 | 69.5 | 0 | 0 | 0 | 109 | ||
| 199 | C | 37.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 164.3 Ų | 164.3 | 81% | 0.811 | 87% | 0.865 | S | S | * | * | trans | -112.6 | 114.4 | 167.8 | -75.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 200 | V | 47.3 | Very low | 45.1 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 75% | 0.745 | 86% | 0.86 | S | S | * | * | trans | -86 | 124.1 | 168.6 | -172.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 201 | I | 47.9 | Very low | 45.1 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 82% | 0.815 | 86% | 0.862 | S | S | * | * | trans | -95.4 | 130.4 | 171.3 | -62.5 | 173.6 | 0 | 0 | 0 | 107.3 | ||||
| 202 | V | 50.6 | Low | 44.8 | Very low | 205 Ų | 205 | 151.8 Ų | 151.8 | 100% | 1.242 | 86% | 0.859 | S | S | * | * | trans | -82.4 | 0 | 174.5 | -154.8 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 202 of 202 residues in 356.7 ms
(Link to these results)