| 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 | 36.7 | Very low | 46 | Very low | 250 Ų | 250 | 144.9 Ų | 144.9 | 100% | 1.232 | 80% | 0.801 | S | S | * | * | 0 | 89.2 | 0 | -70.2 | 179.8 | -175.4 | 0 | 0 | 108 | |||||
| 2 | T | 35.3 | Very low | 49.4 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | -83.1 | 113.2 | 178.2 | 29.3 | 0 | 0 | 0 | 0 | 108.5 | I4 | T2-I4 PolarHBondContact O-N 3.35Š| ||
| 3 | G | 37.7 | Very low | 52.7 | Low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 119.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | F5 | G3-F5 PolarHBondContact O-N 2.97Š| ||
| 4 | I | 43.8 | Very low | 55.8 | Low | 166 Ų | 166 | 125 Ų | 125 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -71.7 | 93.5 | 169.4 | -60.7 | 169.3 | 0 | 0 | 0 | 106.4 | T2 G6 | T2-I4 PolarHBondContact O-N 3.35Å; I4-G6 VanDerWaalsContact C-N 3.29Å; I4-G6 PolarHBondContact O-N 3.03Å | ||
| 5 | F | 46.3 | Very low | 58.5 | Low | 205 Ų | 205 | 117.8 Ų | 117.8 | 90% | 0.899 | 66% | 0.655 | S | S | * | * | trans | -66 | 96.1 | 161.5 | -85.5 | -91.9 | 0 | 0 | 0 | 107 | G3 K7 | G3-F5 PolarHBondContact O-N 2.97Å; F5-K7 PolarHBondContact O-N 2.93Å; F5-K7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | G | 44.7 | Very low | 61 | Low | 57 Ų | 57 | 110.4 Ų | 110.4 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | trans | -55.9 | 117.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I4 V8 | I4-G6 VanDerWaalsContact C-N 3.29Å; I4-G6 PolarHBondContact O-N 3.03Å; G6-V8 PolarHBondContact O-N 3.12Å | ||
| 7 | K | 41.1 | Very low | 63.2 | Low | 208 Ų | 208 | 103.9 Ų | 103.9 | 90% | 0.904 | 58% | 0.578 | S | S | * | * | trans | -55.4 | 108.5 | 166.9 | -80.6 | -177 | 175.3 | 179 | 0 | 106.7 | F5 K9 | F5-K7 PolarHBondContact O-N 2.93Å; F5-K7 VanDerWaalsContact O-N 3.12Å; K7-K9 PolarHBondContact O-N 3.03Å | ||
| 8 | V | 48.7 | Very low | 65.2 | Low | 134 Ų | 134 | 98.2 Ų | 98.2 | 81% | 0.812 | 55% | 0.545 | S | S | * | . | trans | -55.8 | 115.4 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 105.7 | G6 | G6-V8 PolarHBondContact O-N 3.12Š| ||
| 9 | K | 48 | Very low | 66.9 | Low | 192 Ų | 192 | 93 Ų | 93 | 84% | 0.835 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 124.3 | 173.2 | -112.2 | -177.8 | 176 | -178.5 | 0 | 106.4 | K7 C11 | K7-K9 PolarHBondContact O-N 3.03Å; K9-C11 PolarHBondContact O-N 3.3Å |
| 10 | P | 56.9 | Low | 68.5 | Low | 121 Ų | 121 | 88.4 Ų | 88.4 | 79% | 0.786 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 131.8 | 177.4 | 20.9 | -29.6 | 0 | 0 | 0 | 108.6 | A12 | P10-A12 PolarHBondContact O-N 2.98Š|
| 11 | C | 66.4 | Low | 69.8 | Low | 54 Ų | 54 | 85.3 Ų | 85.3 | 37% | 0.365 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 133.5 | 172.3 | -168.6 | 0 | 0 | 0 | 0 | 107.9 | K9 E13 P60 V61 T62 | K9-C11 PolarHBondContact O-N 3.3Å; C11-E13 PolarHBondContact O-N 3.12Å; C11-P60 PolarHBondContact SG-O 3.41Å; C11-V61 WeakPolarHBondContact SG-CA 3.31Å; C11-V61 PolarHBondContact SG-N 3.29Å; C11-V61 VanDerWaalsContact SG-N 3.39Å; C11-T62 PolarHBondContact SG-N 3.28Å; C11-T62 PolarHBondContact SG-OG1 3.47Å |
| 12 | A | 87.1 | Confident | 72.5 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 127 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P10 V61 T62 | P10-A12 PolarHBondContact O-N 2.98Å; A12-V61 CarbonylContact O-C 3.56Å; A12-V61 VanDerWaalsContact O-CA 3.29Å; A12-V61 WeakPolarHBondContact O-CA 3.39Å; A12-V61 VanDerWaalsContact O-CG1 3.26Å; A12-V61 WeakPolarHBondContact O-CG1 3.31Å; A12-T62 PolarHBondContact O-N 2.88Å |
| 13 | E | 92.8 | Very high | 75.2 | Confident | 102 Ų | 102 | 73.3 Ų | 73.3 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137.9 | 174.2 | -175.6 | 167.3 | 133.5 | 0 | 0 | 109.3 | C11 N15 T62 R64 | C11-E13 PolarHBondContact O-N 3.12Å; E13-N15 PolarHBondContact OE1-OD1 3.48Å; E13-T62 CarbonylContact C-O 3.53Å; E13-T62 WeakPolarHBondContact CA-O 3.5Å; E13-R64 HydrophobicContact CG-CG 4.31Å; E13-R64 WeakPolarHBondContact OE1-CD 3.41Å; E13-R64 IonicContact OE1-CZ 2.66Å; E13-R64 IonicContact OE1-NE 3.75Å; E13-R64 IonicContact OE1-NH1 2.87Å; E13-R64 PolarHBondContact OE1-NH1 3.25Å; E13-R64 IonicContact OE2-NH1 3.79Å |
| 14 | C | 95.6 | Very high | 78 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 116.8 | 174.4 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | V61 T62 V63 R64 N85 V173 | C14-V61 HydrophobicContact CB-CG1 3.8Å; C14-T62 PolarHBondContact N-O 3.44Å; C14-V63 WeakPolarHBondContact O-CA 3.33Å; C14-R64 PolarHBondContact O-N 3.43Å; C14-N85 WeakPolarHBondContact CA-OD1 3.19Å; C14-V173 HydrophobicContact CB-CG1 4.39Å; C14-V173 HydrophobicContact CB-CG2 4.29Å |
| 15 | N | 96.9 | Very high | 80.5 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 115.6 | -177.6 | -63.8 | -17.9 | 0 | 0 | 0 | 110.4 | E13 R64 W83 N85 A86 | E13-N15 PolarHBondContact OE1-OD1 3.48Å; N15-R64 CarbonylContact C-O 3.44Å; N15-R64 WeakPolarHBondContact CA-O 3.37Å; N15-R64 WeakPolarHBondContact OD1-CB 3.5Å; N15-W83 HydrophobicContact CB-CD2 3.94Å; N15-W83 HydrophobicContact CB-CE3 3.84Å; N15-W83 HydrophobicContact CB-CH2 3.65Å; N15-W83 HydrophobicContact CB-CZ2 3.73Å; N15-W83 HydrophobicContact CB-CZ3 3.69Å; N15-W83 VanDerWaalsContact CB-O 3.24Å; N15-W83 WeakPolarHBondContact CB-O 3.49Å; N15-W83 VanDerWaalsContact CG-CZ2 3.43Å; N15-W83 PolarHBondContact ND2-NE1 3.02Å; N15-W83 PolarHBondContact ND2-O 3.47Å; N15-W83 VanDerWaalsContact ND2-O 3.09Å; N15-W83 WeakPolarHBondContact OD1-CZ2 3.3Å; N15-N85 PolarHBondContact N-OD1 2.63Å; N15-N85 WeakPolarHBondContact O-CA 3.46Å; N15-N85 WeakPolarHBondContact O-CB 3.1Å; N15-N85 PolarHBondContact O-N 3.28Å; N15-A86 PolarHBondContact O-N 3.23Å |
| 16 | L | 98.3 | Very high | 83 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.1 | 177.2 | -50.8 | -177.9 | 0 | 0 | 0 | 109.1 | V63 R64 V65 M66 A86 F169 A172 V173 | L16-V63 HydrophobicContact CD1-CG1 3.45Å; L16-V63 VanDerWaalsContact CD1-CG1 3.45Å; L16-V63 HydrophobicContact CG-CG1 3.88Å; L16-R64 PolarHBondContact N-O 3.31Å; L16-V65 CarbonylContact O-C 3.51Å; L16-V65 WeakPolarHBondContact O-CA 3.45Å; L16-M66 PolarHBondContact O-N 3.43Å; L16-A86 HydrophobicContact CD2-CB 3.71Å; L16-F169 HydrophobicContact CD1-CB 4.43Å; L16-F169 HydrophobicContact CD1-CD1 3.67Å; L16-F169 HydrophobicContact CD1-CE1 4.44Å; L16-F169 HydrophobicContact CD1-CG 4.45Å; L16-A172 HydrophobicContact CD1-CB 4.49Å; L16-A172 HydrophobicContact CD2-CB 3.85Å; L16-V173 HydrophobicContact CD1-CG2 4.24Å; L16-V173 HydrophobicContact CD2-CG2 4.33Å |
| 17 | V | 98.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.8 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | L19 M66 T68 Y80 W83 A84 A86 F87 L88 | V17-L19 HydrophobicContact CG1-CD2 3.67Å; V17-L19 HydrophobicContact CG1-CG 3.87Å; V17-M66 HydrophobicContact CG1-SD 4.25Å; V17-M66 HydrophobicContact CG2-CB 4.14Å; V17-M66 HydrophobicContact CG2-SD 4.2Å; V17-T68 HydrophobicContact CG1-CG2 3.86Å; V17-Y80 HydrophobicContact CG1-CG 4.17Å; V17-W83 HydrophobicContact CG2-CE3 3.53Å; V17-W83 HydrophobicContact CG2-CZ3 3.71Å; V17-A84 HydrophobicContact CB-CB 4.35Å; V17-A84 HydrophobicContact CG2-CB 3.62Å; V17-A86 PolarHBondContact N-O 3.25Å; V17-F87 HydrophobicContact CB-CD1 3.87Å; V17-F87 HydrophobicContact CB-CE1 4.15Å; V17-F87 HydrophobicContact CG1-CD1 4.27Å; V17-F87 HydrophobicContact CG1-CE1 4.47Å; V17-F87 HydrophobicContact CG2-CE1 4.36Å; V17-L88 PolarHBondContact O-N 3.41Å |
| 18 | L | 98.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.2 | 170.2 | -78.1 | 73.8 | 0 | 0 | 0 | 109.6 | K26 L29 T30 V65 M66 T68 L88 F169 | L18-K26 HydrophobicContact CB-CB 4.16Å; L18-K26 HydrophobicContact CB-CD 4.26Å; L18-K26 HydrophobicContact CB-CG 4.41Å; L18-K26 HydrophobicContact CD2-CB 4.03Å; L18-K26 WeakPolarHBondContact CD2-O 3.46Å; L18-L29 HydrophobicContact CD2-CB 4.29Å; L18-T30 WeakPolarHBondContact CD2-OG1 3.38Å; L18-V65 HydrophobicContact CD1-CG1 3.37Å; L18-M66 PolarHBondContact N-O 2.93Å; L18-T68 WeakPolarHBondContact O-CG2 3.31Å; L18-T68 PolarHBondContact O-OG1 3.24Å; L18-L88 CarbonylContact C-O 3.35Å; L18-L88 WeakPolarHBondContact CA-O 3.48Å; L18-L88 HydrophobicContact CD1-CB 4.47Å; L18-L88 HydrophobicContact CD1-CD1 3.94Å; L18-L88 HydrophobicContact CG-CB 4.06Å; L18-L88 HydrophobicContact CG-CD1 4.16Å; L18-F169 HydrophobicContact CD1-CE1 4.01Å; L18-F169 HydrophobicContact CD1-CZ 4.07Å; L18-F169 HydrophobicContact CD2-CZ 4.18Å |
| 19 | L | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.1 | 178.8 | -62.6 | 175.8 | 0 | 0 | 0 | 110.3 | V17 T68 Y80 F87 L88 V89 V90 Y105 L109 | V17-L19 HydrophobicContact CG1-CD2 3.67Å; V17-L19 HydrophobicContact CG1-CG 3.87Å; L19-T68 HydrophobicContact CD2-CG2 3.89Å; L19-Y80 HydrophobicContact CD1-CD2 4.37Å; L19-Y80 HydrophobicContact CD1-CE2 4.04Å; L19-Y80 HydrophobicContact CD2-CD1 4Å; L19-Y80 HydrophobicContact CD2-CD2 4.11Å; L19-Y80 HydrophobicContact CD2-CE1 3.82Å; L19-Y80 HydrophobicContact CD2-CE2 3.95Å; L19-Y80 HydrophobicContact CD2-CG 4.15Å; L19-F87 HydrophobicContact CD1-CD1 3.73Å; L19-F87 HydrophobicContact CD1-CE1 4.33Å; L19-F87 HydrophobicContact CD1-CG 4.47Å; L19-F87 HydrophobicContact CG-CD1 4.45Å; L19-L88 PolarHBondContact N-O 3.39Å; L19-V89 HydrophobicContact CB-CG2 4.47Å; L19-V89 CarbonylContact O-C 3.56Å; L19-V90 PolarHBondContact O-N 3.12Å; L19-Y105 HydrophobicContact CB-CD1 3.68Å; L19-Y105 HydrophobicContact CB-CE1 4.06Å; L19-Y105 HydrophobicContact CB-CG 4Å; L19-Y105 HydrophobicContact CD1-CD1 4Å; L19-Y105 HydrophobicContact CD2-CD1 4.05Å; L19-Y105 HydrophobicContact CD2-CE1 3.97Å; L19-Y105 HydrophobicContact CG-CD1 4.12Å; L19-Y105 HydrophobicContact CG-CE1 4.47Å; L19-L109 HydrophobicContact CD1-CD1 4.14Å; L19-L109 HydrophobicContact CD1-CD2 4.17Å; L19-L109 HydrophobicContact CD1-CG 4.37Å |
| 20 | G | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 141.4 | 163.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K26 V90 Y105 | G20-K26 PolarHBondContact O-NZ 2.85Å; G20-V90 WeakPolarHBondContact CA-O 3.46Å; G20-Y105 VanDerWaalsContact CA-CE2 3.47Å | ||
| 21 | A | 95.7 | Very high | 94.5 | Very high | 24 Ų | 24 | 21.8 Ų | 21.8 | 20% | 0.198 | 15% | 0.147 | C | C | . | . | trans | -57.5 | 156.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | G23 C24 K26 | A21-G23 PolarHBondContact O-N 3.26Å; A21-C24 PolarHBondContact O-N 2.94Å; A21-C24 PolarHBondContact O-SG 3.4Å; A21-K26 PolarHBondContact O-NZ 3.39Å | ||
| 22 | M | 93.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 20 Ų | 20 | 39% | 0.394 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 141.2 | 171.2 | -66.7 | -176.3 | 73.6 | 0 | 0 | 110.6 | C24 P44 Y45 Q71 | M22-C24 VanDerWaalsContact C-N 3.26Å; M22-C24 PolarHBondContact O-N 3.17Å; M22-P44 HydrophobicContact CE-CB 4.12Å; M22-P44 WeakPolarHBondContact CE-O 3.14Å; M22-Y45 HydrophobicContact CE-CD1 4.19Å; M22-Y45 HydrophobicContact CE-CE1 3.88Å; M22-Q71 HydrophobicContact SD-CG 4.34Å |
| 23 | G | 93.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 17.7 Ų | 17.7 | 63% | 0.629 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | A21 G25 K128 | A21-G23 PolarHBondContact O-N 3.26Å; G23-G25 PolarHBondContact O-N 2.93Å; G23-K128 WeakPolarHBondContact O-CE 3.4Å; G23-K128 PolarHBondContact O-NZ 3.04Å |
| 24 | C | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -70.8 | -14.7 | 175 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | A21 M22 K26 V90 N127 | A21-C24 PolarHBondContact O-N 2.94Å; A21-C24 PolarHBondContact O-SG 3.4Å; M22-C24 VanDerWaalsContact C-N 3.26Å; M22-C24 PolarHBondContact O-N 3.17Å; C24-K26 VanDerWaalsContact SG-CG 3.51Å; C24-V90 HydrophobicContact CB-CG1 4.46Å; C24-V90 PolarHBondContact SG-O 3.19Å; C24-N127 PolarHBondContact O-ND2 2.97Å |
| 25 | G | 96.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 17% | 0.165 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 100.2 | 28.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G23 A28 L29 | G23-G25 PolarHBondContact O-N 2.93Å; G25-A28 PolarHBondContact O-N 2.82Å; G25-L29 WeakPolarHBondContact O-CG 3.14Å; G25-L29 PolarHBondContact O-N 3.48Å |
| 26 | K | 97.6 | Very high | 96 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 6% | 0.061 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.3 | -56.2 | 173.9 | -53.4 | -170.9 | -59.8 | -77.1 | 0 | 112 | L18 G20 A21 C24 A28 L29 T30 D67 T68 V90 | L18-K26 HydrophobicContact CB-CB 4.16Å; L18-K26 HydrophobicContact CB-CD 4.26Å; L18-K26 HydrophobicContact CB-CG 4.41Å; L18-K26 HydrophobicContact CD2-CB 4.03Å; L18-K26 WeakPolarHBondContact CD2-O 3.46Å; G20-K26 PolarHBondContact O-NZ 2.85Å; A21-K26 PolarHBondContact O-NZ 3.39Å; C24-K26 VanDerWaalsContact SG-CG 3.51Å; K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 2.87Å; K26-L29 WeakPolarHBondContact O-CB 3.41Å; K26-L29 PolarHBondContact O-N 3.25Å; K26-T30 PolarHBondContact O-N 3.31Å; K26-T30 PolarHBondContact O-OG1 3.44Å; K26-D67 WeakPolarHBondContact CB-OD1 3.41Å; K26-T68 WeakPolarHBondContact CE-O 3.29Å; K26-T68 PolarHBondContact NZ-O 3.46Å; K26-V90 HydrophobicContact CG-CB 4.24Å; K26-V90 HydrophobicContact CG-CG2 4.36Å |
| 27 | S | 96 | Very high | 95.6 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -37.1 | 176.9 | -42.3 | 0 | 0 | 0 | 0 | 113.2 | T30 V31 D67 | S27-T30 PolarHBondContact O-N 3.43Å; S27-V31 WeakPolarHBondContact O-CB 3.47Å; S27-V31 WeakPolarHBondContact O-CG2 3.47Å; S27-V31 PolarHBondContact O-N 2.75Å; S27-D67 WeakPolarHBondContact CA-OD2 3.33Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD1 3.41Å; S27-D67 PolarHBondContact OG-OD2 3.32Å |
| 28 | A | 96.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G25 K26 K32 F38 Y42 A158 | G25-A28 PolarHBondContact O-N 2.82Å; K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 2.87Å; A28-K32 WeakPolarHBondContact O-CB 3.46Å; A28-K32 PolarHBondContact O-N 3.32Å; A28-F38 HydrophobicContact CB-CE2 4.25Å; A28-Y42 HydrophobicContact CB-CE2 3.73Å; A28-A158 HydrophobicContact CB-CB 3.8Å |
| 29 | L | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 174.7 | -70.8 | 170.7 | 0 | 0 | 0 | 111.4 | L18 G25 K26 V31 K32 F33 V90 V125 N127 V156 A158 V165 F169 | L18-L29 HydrophobicContact CD2-CB 4.29Å; G25-L29 WeakPolarHBondContact O-CG 3.14Å; G25-L29 PolarHBondContact O-N 3.48Å; K26-L29 WeakPolarHBondContact O-CB 3.41Å; K26-L29 PolarHBondContact O-N 3.25Å; L29-V31 PolarHBondContact O-N 2.77Å; L29-K32 PolarHBondContact O-N 2.84Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.6Å; L29-V90 HydrophobicContact CD1-CG1 3.83Å; L29-V90 HydrophobicContact CD1-CG2 4.1Å; L29-V125 HydrophobicContact CD1-CG1 4.25Å; L29-N127 HydrophobicContact CD1-CB 4.33Å; L29-V156 HydrophobicContact CD2-CG2 3.83Å; L29-A158 HydrophobicContact CD2-CB 3.95Å; L29-A158 HydrophobicContact CG-CB 4.34Å; L29-V165 HydrophobicContact CD2-CG1 4.12Å; L29-V165 HydrophobicContact CD2-CG2 3.87Å; L29-F169 HydrophobicContact CB-CE2 4.31Å |
| 30 | T | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.5 | -51.2 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 111 | L18 K26 S27 F33 L34 Y50 V65 D67 F242 | L18-T30 WeakPolarHBondContact CD2-OG1 3.38Å; K26-T30 PolarHBondContact O-N 3.31Å; K26-T30 PolarHBondContact O-OG1 3.44Å; S27-T30 PolarHBondContact O-N 3.43Å; T30-F33 WeakPolarHBondContact O-CB 3.46Å; T30-F33 PolarHBondContact O-N 3.47Å; T30-L34 HydrophobicContact CG2-CD1 3.69Å; T30-L34 HydrophobicContact CG2-CG 4.48Å; T30-L34 WeakPolarHBondContact O-CD1 3.49Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.29Å; T30-Y50 HydrophobicContact CG2-CD2 3.53Å; T30-Y50 HydrophobicContact CG2-CE2 4.01Å; T30-Y50 HydrophobicContact CG2-CG 4.31Å; T30-V65 HydrophobicContact CG2-CB 4.44Å; T30-V65 HydrophobicContact CG2-CG1 3.9Å; T30-D67 HydrophobicContact CG2-CB 4.43Å; T30-F242 HydrophobicContact CG2-CE1 4.39Å; T30-F242 HydrophobicContact CG2-CZ 4.2Å |
| 31 | V | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 179.9 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | S27 L29 F33 L34 T35 I39 Y42 L239 F242 | S27-V31 WeakPolarHBondContact O-CB 3.47Å; S27-V31 WeakPolarHBondContact O-CG2 3.47Å; S27-V31 PolarHBondContact O-N 2.75Å; L29-V31 PolarHBondContact O-N 2.77Å; V31-F33 VanDerWaalsContact C-N 3.3Å; V31-F33 PolarHBondContact O-N 3Å; V31-L34 PolarHBondContact O-N 3.41Å; V31-T35 HydrophobicContact CG1-CG2 4.19Å; V31-T35 WeakPolarHBondContact O-CB 3.44Å; V31-T35 WeakPolarHBondContact O-CG2 3.21Å; V31-T35 PolarHBondContact O-N 3.33Å; V31-T35 PolarHBondContact O-OG1 3.44Å; V31-I39 HydrophobicContact CG1-CD1 3.81Å; V31-I39 HydrophobicContact CG1-CG1 4.44Å; V31-Y42 HydrophobicContact CB-CE1 3.92Å; V31-Y42 HydrophobicContact CG1-CE1 4.15Å; V31-Y42 HydrophobicContact CG2-CD1 4.38Å; V31-Y42 HydrophobicContact CG2-CE1 3.61Å; V31-L239 HydrophobicContact CG1-CD1 3.92Å; V31-F242 HydrophobicContact CG2-CD1 3.38Å; V31-F242 HydrophobicContact CG2-CE1 3.1Å; V31-F242 HydrophobicContact CG2-CE2 4.29Å; V31-F242 HydrophobicContact CG2-CG 4.1Å; V31-F242 HydrophobicContact CG2-CZ 3.61Å |
| 32 | K | 96.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 174.6 | -178.1 | 63.6 | 166.1 | -167.1 | 0 | 111.4 | A28 L29 K36 R37 A158 W160 F162 V165 | A28-K32 WeakPolarHBondContact O-CB 3.46Å; A28-K32 PolarHBondContact O-N 3.32Å; L29-K32 PolarHBondContact O-N 2.84Å; K32-K36 WeakPolarHBondContact O-CA 3.42Å; K32-K36 PolarHBondContact O-N 3.36Å; K32-R37 VanDerWaalsContact CA-O 3.26Å; K32-R37 WeakPolarHBondContact CA-O 3.48Å; K32-A158 WeakPolarHBondContact CD-O 3.29Å; K32-A158 WeakPolarHBondContact CE-O 3.09Å; K32-A158 WeakPolarHBondContact CG-O 3.22Å; K32-W160 WeakPolarHBondContact CE-O 3.09Å; K32-W160 PolarHBondContact NZ-O 2.59Å; K32-F162 WeakPolarHBondContact O-CD2 3.36Å; K32-V165 HydrophobicContact CB-CG1 4.25Å; K32-V165 HydrophobicContact CG-CB 4.01Å; K32-V165 HydrophobicContact CG-CG1 4.08Å; K32-V165 HydrophobicContact CG-CG2 3.84Å |
| 33 | F | 97.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -51 | 175.5 | 174.8 | -115.1 | 0 | 0 | 0 | 111.8 | L29 T30 V31 T35 E54 V63 V65 F162 V165 Q166 F169 | L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.6Å; T30-F33 WeakPolarHBondContact O-CB 3.46Å; T30-F33 PolarHBondContact O-N 3.47Å; V31-F33 VanDerWaalsContact C-N 3.3Å; V31-F33 PolarHBondContact O-N 3Å; F33-T35 PolarHBondContact O-N 3.14Å; F33-E54 HydrophobicContact CE2-CG 4.42Å; F33-E54 HydrophobicContact CZ-CG 3.75Å; F33-V63 HydrophobicContact CE1-CB 4.5Å; F33-V63 HydrophobicContact CE1-CG1 4.08Å; F33-V63 HydrophobicContact CZ-CG1 4.3Å; F33-V65 HydrophobicContact CD1-CG2 4.25Å; F33-V65 HydrophobicContact CE1-CG2 4.14Å; F33-F162 WeakPolarHBondContact O-CE2 3.29Å; F33-V165 HydrophobicContact CB-CG1 4.19Å; F33-Q166 HydrophobicContact CE2-CG 4.49Å; F33-F169 HydrophobicContact CB-CD1 4.32Å; F33-F169 HydrophobicContact CB-CD2 3.99Å; F33-F169 HydrophobicContact CB-CE1 4.22Å; F33-F169 HydrophobicContact CB-CE2 3.89Å; F33-F169 HydrophobicContact CB-CG 4.23Å; F33-F169 HydrophobicContact CB-CZ 4.01Å; F33-F169 AromaticContact CD1-CD1 3.56Å; F33-F169 HydrophobicContact CD1-CD1 3.56Å; F33-F169 AromaticContact CD1-CE1 3.81Å; F33-F169 HydrophobicContact CD1-CE1 3.81Å; F33-F169 HydrophobicContact CD1-CG 4.01Å; F33-F169 HydrophobicContact CD1-CZ 4.44Å; F33-F169 HydrophobicContact CD2-CB 3.65Å; F33-F169 HydrophobicContact CD2-CD1 4.09Å; F33-F169 HydrophobicContact CD2-CD2 4Å; F33-F169 AromaticContact CD2-CG 3.65Å; F33-F169 HydrophobicContact CD2-CG 3.65Å; F33-F169 HydrophobicContact CE1-CB 4.4Å; F33-F169 AromaticContact CE1-CD1 3.76Å; F33-F169 HydrophobicContact CE1-CD1 3.76Å; F33-F169 HydrophobicContact CE1-CE1 4.37Å; F33-F169 HydrophobicContact CE1-CG 4.25Å; F33-F169 HydrophobicContact CE2-CB 3.47Å; F33-F169 VanDerWaalsContact CE2-CB 3.47Å; F33-F169 HydrophobicContact CE2-CD1 4.27Å; F33-F169 AromaticContact CE2-CG 3.93Å; F33-F169 HydrophobicContact CE2-CG 3.93Å; F33-F169 HydrophobicContact CG-CB 4.18Å; F33-F169 AromaticContact CG-CD1 3.71Å; F33-F169 HydrophobicContact CG-CD1 3.71Å; F33-F169 AromaticContact CG-CD2 3.95Å; F33-F169 HydrophobicContact CG-CD2 3.95Å; F33-F169 HydrophobicContact CG-CE1 4.03Å; F33-F169 HydrophobicContact CG-CE2 4.25Å; F33-F169 AromaticContact CG-CG 3.69Å; F33-F169 HydrophobicContact CG-CG 3.69Å; F33-F169 HydrophobicContact CG-CZ 4.29Å; F33-F169 HydrophobicContact CZ-CB 3.86Å; F33-F169 HydrophobicContact CZ-CD1 4.09Å; F33-F169 HydrophobicContact CZ-CG 4.2Å |
| 34 | L | 93 | Very high | 91.5 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72 | -31 | -174 | -63.7 | 168.3 | 0 | 0 | 0 | 113.8 | T30 V31 Y50 A217 F242 | T30-L34 HydrophobicContact CG2-CD1 3.69Å; T30-L34 HydrophobicContact CG2-CG 4.48Å; T30-L34 WeakPolarHBondContact O-CD1 3.49Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.29Å; V31-L34 PolarHBondContact O-N 3.41Å; L34-Y50 VanDerWaalsContact CD1-CB 3.5Å; L34-Y50 HydrophobicContact CD1-CD1 4.39Å; L34-Y50 HydrophobicContact CD1-CD2 4.32Å; L34-Y50 HydrophobicContact CD1-CG 3.81Å; L34-A217 HydrophobicContact CB-CB 4.15Å; L34-A217 HydrophobicContact CD1-CB 4.18Å; L34-F242 HydrophobicContact CD1-CE2 3.81Å; L34-F242 HydrophobicContact CD1-CZ 3.44Å; L34-F242 VanDerWaalsContact CD1-CZ 3.44Å |
| 35 | T | 90.8 | Very high | 91 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -122.4 | -8.8 | -166 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | V31 F33 R37 L239 | V31-T35 HydrophobicContact CG1-CG2 4.19Å; V31-T35 WeakPolarHBondContact O-CB 3.44Å; V31-T35 WeakPolarHBondContact O-CG2 3.21Å; V31-T35 PolarHBondContact O-N 3.33Å; V31-T35 PolarHBondContact O-OG1 3.44Å; F33-T35 PolarHBondContact O-N 3.14Å; T35-R37 PolarHBondContact O-N 3.28Å; T35-R37 VanDerWaalsContact O-N 3.1Å; T35-R37 PolarHBondContact OG1-N 3.37Å; T35-L239 HydrophobicContact CG2-CD1 3.65Å; T35-L239 HydrophobicContact CG2-CD2 3.39Å; T35-L239 HydrophobicContact CG2-CG 4.17Å |
| 36 | K | 94.5 | Very high | 90.5 | Very high | 136 Ų | 136 | 49 Ų | 49 | 59% | 0.591 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 63.4 | 5.5 | -173.7 | -44.5 | -174.6 | 178.8 | 177.8 | 0 | 113.8 | K32 F162 | K32-K36 WeakPolarHBondContact O-CA 3.42Å; K32-K36 PolarHBondContact O-N 3.36Å; K36-F162 HydrophobicContact CB-CB 4.43Å; K36-F162 HydrophobicContact CB-CD2 3.93Å; K36-F162 HydrophobicContact CB-CE2 4.37Å; K36-F162 HydrophobicContact CB-CG 4.06Å; K36-F162 HydrophobicContact CD-CD1 4.22Å; K36-F162 HydrophobicContact CD-CE1 4.06Å; K36-F162 HydrophobicContact CD-CE2 4.44Å; K36-F162 HydrophobicContact CD-CG 4.47Å; K36-F162 HydrophobicContact CD-CZ 4.17Å; K36-F162 HydrophobicContact CG-CD1 4.25Å; K36-F162 HydrophobicContact CG-CD2 3.77Å; K36-F162 HydrophobicContact CG-CE1 4.2Å; K36-F162 HydrophobicContact CG-CE2 3.71Å; K36-F162 HydrophobicContact CG-CG 4.04Å; K36-F162 HydrophobicContact CG-CZ 3.93Å |
| 37 | R | 89.7 | Confident | 90.2 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | trans | -110.5 | 151.4 | -178 | -64.5 | 179.4 | -179.9 | -164.7 | -0.3 | 110.9 | K32 T35 T237 | K32-R37 VanDerWaalsContact CA-O 3.26Å; K32-R37 WeakPolarHBondContact CA-O 3.48Å; T35-R37 PolarHBondContact O-N 3.28Å; T35-R37 VanDerWaalsContact O-N 3.1Å; T35-R37 PolarHBondContact OG1-N 3.37Å; R37-T237 PolarHBondContact NH1-OG1 3.3Å; R37-T237 VanDerWaalsContact NH1-OG1 3.11Å | ||
| 38 | F | 91.5 | Very high | 90 | Very high | 97 Ų | 97 | 51 Ų | 51 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | trans | -97 | 126.2 | 166.7 | 175.5 | -108.3 | 0 | 0 | 0 | 108.9 | A28 A158 C159 | A28-F38 HydrophobicContact CB-CE2 4.25Å; F38-A158 HydrophobicContact CD2-CB 4.13Å; F38-A158 HydrophobicContact CE2-CB 4.3Å; F38-C159 HydrophobicContact CB-CB 4.4Å; F38-C159 HydrophobicContact CD1-CB 3.74Å; F38-C159 HydrophobicContact CD2-CB 3.77Å; F38-C159 HydrophobicContact CE1-CB 3.87Å; F38-C159 HydrophobicContact CE2-CB 3.89Å; F38-C159 HydrophobicContact CG-CB 3.69Å; F38-C159 HydrophobicContact CZ-CB 3.94Å | ||
| 39 | I | 88.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | trans | -114.2 | 140.6 | 167.6 | -66.7 | 159.2 | 0 | 0 | 0 | 106.2 | V31 E41 Y42 L239 I244 | V31-I39 HydrophobicContact CG1-CD1 3.81Å; V31-I39 HydrophobicContact CG1-CG1 4.44Å; I39-E41 WeakPolarHBondContact CG2-O 3.46Å; I39-Y42 VanDerWaalsContact C-OH 3.3Å; I39-Y42 WeakPolarHBondContact CA-OH 3.26Å; I39-Y42 HydrophobicContact CB-CE1 3.89Å; I39-Y42 WeakPolarHBondContact CB-OH 3.49Å; I39-Y42 HydrophobicContact CG2-CE1 3.94Å; I39-Y42 PolarHBondContact N-OH 3.28Å; I39-Y42 WeakPolarHBondContact O-CE2 3.41Å; I39-Y42 PolarHBondContact O-OH 3.44Å; I39-L239 HydrophobicContact CD1-CD1 3.67Å; I39-I244 HydrophobicContact CD1-CD1 3.75Å; I39-I244 HydrophobicContact CG2-CG2 3.84Å | ||
| 40 | S | 80.4 | Confident | 89.5 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -94.1 | -21.7 | -176.2 | 46.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 41 | E | 82.2 | Confident | 89.2 | Confident | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | trans | -115.1 | 122.4 | -171 | -68.1 | 172.8 | -134.3 | 0 | 0 | 109.7 | I39 F245 | I39-E41 WeakPolarHBondContact CG2-O 3.46Å; E41-F245 VanDerWaalsContact CB-O 3.29Å; E41-F245 WeakPolarHBondContact CB-O 3.43Å | ||
| 42 | Y | 81 | Confident | 89.1 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | trans | -139.2 | 149.8 | -179.1 | -57.8 | -74.4 | 0 | 0 | 0 | 109.1 | A28 V31 I39 P44 | A28-Y42 HydrophobicContact CB-CE2 3.73Å; V31-Y42 HydrophobicContact CB-CE1 3.92Å; V31-Y42 HydrophobicContact CG1-CE1 4.15Å; V31-Y42 HydrophobicContact CG2-CD1 4.38Å; V31-Y42 HydrophobicContact CG2-CE1 3.61Å; I39-Y42 VanDerWaalsContact C-OH 3.3Å; I39-Y42 WeakPolarHBondContact CA-OH 3.26Å; I39-Y42 HydrophobicContact CB-CE1 3.89Å; I39-Y42 WeakPolarHBondContact CB-OH 3.49Å; I39-Y42 HydrophobicContact CG2-CE1 3.94Å; I39-Y42 PolarHBondContact N-OH 3.28Å; I39-Y42 WeakPolarHBondContact O-CE2 3.41Å; I39-Y42 PolarHBondContact O-OH 3.44Å; Y42-P44 WeakPolarHBondContact O-CD 3.46Å | ||
| 43 | D | 84 | Confident | 88.9 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -62.2 | 111.3 | 167.8 | -169 | -24.6 | 0 | 0 | 0 | 109.6 | Y45 L46 K243 F245 | D43-Y45 PolarHBondContact O-N 3.44Å; D43-Y45 PolarHBondContact OD1-N 3.17Å; D43-L46 HydrophobicContact CB-CB 3.9Å; D43-L46 PolarHBondContact O-N 3.45Å; D43-K243 HydrophobicContact CB-CB 4.31Å; D43-K243 PolarHBondContact N-O 3.07Å; D43-K243 IonicContact OD2-NZ 3.92Å; D43-F245 HydrophobicContact CB-CD2 4.05Å; D43-F245 HydrophobicContact CB-CE2 3.63Å; D43-F245 WeakPolarHBondContact OD2-CE2 3.49Å | ||
| 44 | P | 81.4 | Confident | 88.8 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6 | -176.6 | 31.8 | -34.9 | 0 | 0 | 0 | 113 | M22 Y42 C69 | M22-P44 HydrophobicContact CE-CB 4.12Å; M22-P44 WeakPolarHBondContact CE-O 3.14Å; Y42-P44 WeakPolarHBondContact O-CD 3.46Å; P44-C69 PolarHBondContact O-SG 3.47Å |
| 45 | Y | 86.2 | Confident | 88.9 | Confident | 151 Ų | 151 | 64.1 Ų | 64.1 | 59% | 0.592 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 6.5 | -177.3 | -56.1 | -66.9 | 0 | 0 | 0 | 113.6 | M22 D43 C69 | M22-Y45 HydrophobicContact CE-CD1 4.19Å; M22-Y45 HydrophobicContact CE-CE1 3.88Å; D43-Y45 PolarHBondContact O-N 3.44Å; D43-Y45 PolarHBondContact OD1-N 3.17Å; Y45-C69 WeakPolarHBondContact CA-SG 3.48Å |
| 46 | L | 86.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | trans | -95 | 115.9 | -178.6 | -177.3 | 63 | 0 | 0 | 0 | 110.7 | D43 D48 K243 | D43-L46 HydrophobicContact CB-CB 3.9Å; D43-L46 PolarHBondContact O-N 3.45Å; L46-D48 HydrophobicContact CG-CB 4.44Å; L46-K243 HydrophobicContact CD2-CB 4.03Å | ||
| 47 | E | 90.5 | Very high | 89.1 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | trans | -98.9 | 129.8 | 161.2 | 176.2 | 164 | 114.2 | 0 | 0 | 108.3 | D67 T68 C69 R79 | E47-D67 WeakPolarHBondContact CA-O 3.45Å; E47-T68 VanDerWaalsContact OE2-CA 3.31Å; E47-T68 WeakPolarHBondContact OE2-CA 3.15Å; E47-T68 WeakPolarHBondContact OE2-CB 3.37Å; E47-C69 HydrophobicContact CB-CB 3.93Å; E47-C69 PolarHBondContact OE2-N 2.94Å; E47-R79 IonicContact OE1-CZ 2.77Å; E47-R79 IonicContact OE1-NE 2.74Å; E47-R79 PolarHBondContact OE1-NE 2.74Å; E47-R79 IonicContact OE1-NH2 3.24Å; E47-R79 IonicContact OE2-CZ 3.67Å; E47-R79 IonicContact OE2-NE 2.76Å; E47-R79 PolarHBondContact OE2-NE 2.92Å; E47-R79 IonicContact OE2-NH2 3.37Å; E47-R79 PolarHBondContact OE2-NH2 2.91Å | ||
| 48 | D | 91.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 163.5 | 179 | -155.5 | -5.2 | 0 | 0 | 0 | 111.4 | L46 Y50 D67 | L46-D48 HydrophobicContact CG-CB 4.44Å; D48-Y50 HydrophobicContact CB-CE1 4.25Å; D48-Y50 HydrophobicContact CB-CE2 4.03Å; D48-D67 PolarHBondContact N-O 3.05Å; D48-D67 PolarHBondContact O-N 3.47Å |
| 49 | I | 92.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.6 | 174.8 | -57.8 | 172.7 | 0 | 0 | 0 | 108.6 | R64 V65 M66 W83 L211 P212 P214 A215 | I49-R64 HydrophobicContact CG2-CB 4.22Å; I49-V65 CarbonylContact C-O 3.55Å; I49-V65 WeakPolarHBondContact CA-O 3.48Å; I49-M66 HydrophobicContact CD1-CE 3.83Å; I49-M66 HydrophobicContact CG1-CB 4.15Å; I49-M66 HydrophobicContact CG1-CE 4.11Å; I49-M66 HydrophobicContact CG1-CG 4.26Å; I49-W83 HydrophobicContact CD1-CZ2 4.15Å; I49-W83 HydrophobicContact CG2-CH2 3.97Å; I49-W83 HydrophobicContact CG2-CZ2 3.9Å; I49-L211 HydrophobicContact CD1-CB 4.13Å; I49-L211 HydrophobicContact CD1-CD1 4.48Å; I49-L211 HydrophobicContact CD1-CD2 4.35Å; I49-P212 HydrophobicContact CD1-CG 4.25Å; I49-P212 HydrophobicContact CG1-CG 4.13Å; I49-P214 HydrophobicContact CB-CB 4.45Å; I49-P214 HydrophobicContact CG2-CB 3.97Å; I49-P214 CarbonylContact O-C 3.52Å; I49-P214 WeakPolarHBondContact O-CA 3.41Å; I49-A215 PolarHBondContact O-N 2.74Å |
| 50 | Y | 91.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 151.1 | 177.1 | -56.2 | -73.7 | 0 | 0 | 0 | 110.9 | T30 L34 D48 R64 V65 D67 A215 G241 F242 | T30-Y50 HydrophobicContact CG2-CD2 3.53Å; T30-Y50 HydrophobicContact CG2-CE2 4.01Å; T30-Y50 HydrophobicContact CG2-CG 4.31Å; L34-Y50 VanDerWaalsContact CD1-CB 3.5Å; L34-Y50 HydrophobicContact CD1-CD1 4.39Å; L34-Y50 HydrophobicContact CD1-CD2 4.32Å; L34-Y50 HydrophobicContact CD1-CG 3.81Å; D48-Y50 HydrophobicContact CB-CE1 4.25Å; D48-Y50 HydrophobicContact CB-CE2 4.03Å; Y50-R64 CarbonylContact O-C 3.54Å; Y50-R64 VanDerWaalsContact O-CA 3.23Å; Y50-R64 WeakPolarHBondContact O-CA 3.3Å; Y50-V65 PolarHBondContact N-O 3.12Å; Y50-V65 PolarHBondContact O-N 3.27Å; Y50-D67 HydrophobicContact CD2-CB 4.47Å; Y50-D67 HydrophobicContact CE2-CB 4.02Å; Y50-A215 WeakPolarHBondContact CA-O 3.47Å; Y50-A215 HydrophobicContact CD1-CB 4.09Å; Y50-A215 HydrophobicContact CE1-CB 4.3Å; Y50-G241 WeakPolarHBondContact CE1-O 3.36Å; Y50-F242 HydrophobicContact CD1-CD2 4.19Å; Y50-F242 HydrophobicContact CD1-CE1 4.02Å; Y50-F242 AromaticContact CD1-CE2 3.37Å; Y50-F242 HydrophobicContact CD1-CE2 3.37Å; Y50-F242 AromaticContact CD1-CZ 3.25Å; Y50-F242 HydrophobicContact CD1-CZ 3.25Å; Y50-F242 HydrophobicContact CD2-CE1 4.04Å; Y50-F242 AromaticContact CD2-CZ 3.67Å; Y50-F242 HydrophobicContact CD2-CZ 3.67Å; Y50-F242 AromaticContact CE1-CD1 3.92Å; Y50-F242 HydrophobicContact CE1-CD1 3.92Å; Y50-F242 AromaticContact CE1-CD2 3.8Å; Y50-F242 HydrophobicContact CE1-CD2 3.8Å; Y50-F242 AromaticContact CE1-CE1 3.47Å; Y50-F242 HydrophobicContact CE1-CE1 3.47Å; Y50-F242 VanDerWaalsContact CE1-CE1 3.47Å; Y50-F242 AromaticContact CE1-CE2 3.36Å; Y50-F242 HydrophobicContact CE1-CE2 3.36Å; Y50-F242 HydrophobicContact CE1-CG 4.06Å; Y50-F242 AromaticContact CE1-CZ 3.16Å; Y50-F242 HydrophobicContact CE1-CZ 3.16Å; Y50-F242 HydrophobicContact CE2-CD1 4.38Å; Y50-F242 AromaticContact CE2-CE1 3.45Å; Y50-F242 HydrophobicContact CE2-CE1 3.45Å; Y50-F242 VanDerWaalsContact CE2-CE1 3.45Å; Y50-F242 AromaticContact CE2-CZ 3.55Å; Y50-F242 HydrophobicContact CE2-CZ 3.55Å; Y50-F242 HydrophobicContact CG-CE1 4.27Å; Y50-F242 HydrophobicContact CG-CE2 4.02Å; Y50-F242 AromaticContact CG-CZ 3.5Å; Y50-F242 HydrophobicContact CG-CZ 3.5Å; Y50-F242 VanDerWaalsContact CG-CZ 3.5Å; Y50-F242 AromaticContact CZ-CD1 3.67Å; Y50-F242 AromaticContact CZ-CE1 3.12Å; Y50-F242 AromaticContact CZ-CE2 3.98Å; Y50-F242 AromaticContact CZ-CZ 3.3Å; Y50-F242 WeakPolarHBondContact OH-CD1 3.38Å; Y50-F242 WeakPolarHBondContact OH-CE1 3.28Å |
| 51 | S | 90.8 | Very high | 90.1 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.2 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | T62 V63 A215 | S51-T62 WeakPolarHBondContact OG-CG2 3.03Å; S51-V63 WeakPolarHBondContact CA-O 3.35Å; S51-A215 PolarHBondContact N-O 3.22Å; S51-A215 VanDerWaalsContact N-O 3.13Å |
| 52 | S | 91.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.2 | 172.1 | -168 | 0 | 0 | 0 | 0 | 111.2 | E54 V63 | S52-E54 PolarHBondContact OG-OE1 2.8Å; S52-V63 PolarHBondContact N-O 3.32Å; S52-V63 PolarHBondContact O-N 2.86Å |
| 53 | D | 93.4 | Very high | 91.5 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116 | 170.1 | -68 | -34.3 | 0 | 0 | 0 | 109.2 | T62 | D53-T62 PolarHBondContact OD1-OG1 2.82Å |
| 54 | E | 95 | Very high | 92.1 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.9 | -174.9 | -65.5 | -64.7 | 136 | 0 | 0 | 111.8 | F33 S52 V56 P60 V61 V63 H170 | F33-E54 HydrophobicContact CE2-CG 4.42Å; F33-E54 HydrophobicContact CZ-CG 3.75Å; S52-E54 PolarHBondContact OG-OE1 2.8Å; E54-V56 HydrophobicContact CB-CG2 4.13Å; E54-P60 CarbonylContact O-C 3.55Å; E54-P60 WeakPolarHBondContact O-CA 3.5Å; E54-V61 PolarHBondContact N-O 3.08Å; E54-V61 PolarHBondContact O-N 3.45Å; E54-V63 HydrophobicContact CB-CG2 4.03Å; E54-V63 HydrophobicContact CG-CB 4.31Å; E54-V63 HydrophobicContact CG-CG2 3.78Å; E54-H170 IonicContact OE2-CE1 3.73Å; E54-H170 IonicContact OE2-NE2 2.93Å; E54-H170 PolarHBondContact OE2-NE2 3Å |
| 55 | L | 95 | Very high | 92.8 | Very high | 123 Ų | 123 | 55 Ų | 55 | 64% | 0.644 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 99.7 | 167.5 | -70.7 | 170.2 | 0 | 0 | 0 | 108.6 | P60 | L55-P60 HydrophobicContact CD2-CB 4.23Å |
| 56 | V | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.7 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | E54 Q58 Q59 V61 H170 V173 R174 | E54-V56 HydrophobicContact CB-CG2 4.13Å; V56-Q58 PolarHBondContact O-N 3.34Å; V56-Q59 PolarHBondContact N-O 2.8Å; V56-Q59 WeakPolarHBondContact O-CB 3.42Å; V56-Q59 PolarHBondContact O-N 3.46Å; V56-V61 HydrophobicContact CB-CG2 4.33Å; V56-V61 HydrophobicContact CG2-CG2 4.36Å; V56-H170 HydrophobicContact CG1-CB 4.21Å; V56-H170 HydrophobicContact CG2-CB 4.47Å; V56-V173 HydrophobicContact CB-CG1 4.24Å; V56-V173 HydrophobicContact CG1-CB 4.42Å; V56-V173 HydrophobicContact CG1-CG1 4.16Å; V56-V173 HydrophobicContact CG2-CB 4.35Å; V56-V173 HydrophobicContact CG2-CG1 4.01Å; V56-R174 HydrophobicContact CG1-CG 3.73Å |
| 57 | D | 93.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.9 | -173.3 | -55.8 | -22.7 | 0 | 0 | 0 | 112.9 | Q59 R174 | D57-Q59 PolarHBondContact O-N 3.46Å; D57-Q59 VanDerWaalsContact O-N 3.12Å; D57-R174 IonicContact OD1-NE 3.71Å; D57-R174 WeakPolarHBondContact OD2-CD 3.44Å; D57-R174 VanDerWaalsContact OD2-CG 3.31Å; D57-R174 WeakPolarHBondContact OD2-CG 3.49Å |
| 58 | Q | 92 | Very high | 94 | Very high | 181 Ų | 181 | 43 Ų | 43 | 85% | 0.846 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 10.9 | -175.6 | -53.4 | 178.5 | 79.8 | 0 | 0 | 114.7 | V56 | V56-Q58 PolarHBondContact O-N 3.34Š|
| 59 | Q | 92.4 | Very high | 94 | Very high | 115 Ų | 115 | 43 Ų | 43 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.7 | 173.7 | -61.5 | -61.4 | -36.2 | 0 | 0 | 110.1 | V56 D57 V61 | V56-Q59 PolarHBondContact N-O 2.8Å; V56-Q59 WeakPolarHBondContact O-CB 3.42Å; V56-Q59 PolarHBondContact O-N 3.46Å; D57-Q59 PolarHBondContact O-N 3.46Å; D57-Q59 VanDerWaalsContact O-N 3.12Å; Q59-V61 PolarHBondContact O-N 3Å |
| 60 | P | 93.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.1 | 174 | 28.6 | -33.7 | 0 | 0 | 0 | 110.4 | C11 E54 L55 | C11-P60 PolarHBondContact SG-O 3.41Å; E54-P60 CarbonylContact O-C 3.55Å; E54-P60 WeakPolarHBondContact O-CA 3.5Å; L55-P60 HydrophobicContact CD2-CB 4.23Å |
| 61 | V | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.8 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | C11 A12 C14 E54 V56 Q59 V63 V173 | C11-V61 WeakPolarHBondContact SG-CA 3.31Å; C11-V61 PolarHBondContact SG-N 3.29Å; C11-V61 VanDerWaalsContact SG-N 3.39Å; A12-V61 CarbonylContact O-C 3.56Å; A12-V61 VanDerWaalsContact O-CA 3.29Å; A12-V61 WeakPolarHBondContact O-CA 3.39Å; A12-V61 VanDerWaalsContact O-CG1 3.26Å; A12-V61 WeakPolarHBondContact O-CG1 3.31Å; C14-V61 HydrophobicContact CB-CG1 3.8Å; E54-V61 PolarHBondContact N-O 3.08Å; E54-V61 PolarHBondContact O-N 3.45Å; V56-V61 HydrophobicContact CB-CG2 4.33Å; V56-V61 HydrophobicContact CG2-CG2 4.36Å; Q59-V61 PolarHBondContact O-N 3Å; V61-V63 HydrophobicContact CB-CG2 4.35Å; V61-V63 HydrophobicContact CG1-CG2 3.88Å; V61-V63 PolarHBondContact O-N 3.29Å; V61-V173 HydrophobicContact CG1-CG1 3.99Å; V61-V173 HydrophobicContact CG2-CG1 4.16Å |
| 62 | T | 95.1 | Very high | 93 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 105.9 | 167 | -61.4 | 0 | 0 | 0 | 0 | 107.6 | C11 A12 E13 C14 S51 D53 | C11-T62 PolarHBondContact SG-N 3.28Å; C11-T62 PolarHBondContact SG-OG1 3.47Å; A12-T62 PolarHBondContact O-N 2.88Å; E13-T62 CarbonylContact C-O 3.53Å; E13-T62 WeakPolarHBondContact CA-O 3.5Å; C14-T62 PolarHBondContact N-O 3.44Å; S51-T62 WeakPolarHBondContact OG-CG2 3.03Å; D53-T62 PolarHBondContact OD1-OG1 2.82Å |
| 63 | V | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 180 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | C14 L16 F33 S51 S52 E54 V61 V65 V173 | C14-V63 WeakPolarHBondContact O-CA 3.33Å; L16-V63 HydrophobicContact CD1-CG1 3.45Å; L16-V63 VanDerWaalsContact CD1-CG1 3.45Å; L16-V63 HydrophobicContact CG-CG1 3.88Å; F33-V63 HydrophobicContact CE1-CB 4.5Å; F33-V63 HydrophobicContact CE1-CG1 4.08Å; F33-V63 HydrophobicContact CZ-CG1 4.3Å; S51-V63 WeakPolarHBondContact CA-O 3.35Å; S52-V63 PolarHBondContact N-O 3.32Å; S52-V63 PolarHBondContact O-N 2.86Å; E54-V63 HydrophobicContact CB-CG2 4.03Å; E54-V63 HydrophobicContact CG-CB 4.31Å; E54-V63 HydrophobicContact CG-CG2 3.78Å; V61-V63 HydrophobicContact CB-CG2 4.35Å; V61-V63 HydrophobicContact CG1-CG2 3.88Å; V61-V63 PolarHBondContact O-N 3.29Å; V63-V65 HydrophobicContact CG1-CG2 3.97Å; V63-V173 HydrophobicContact CG1-CG2 4.45Å; V63-V173 HydrophobicContact CG2-CG2 3.83Å |
| 64 | R | 96.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.5 | 173.1 | -62.2 | 179.7 | 68.1 | 175.7 | -1.8 | 109.2 | E13 C14 N15 L16 I49 Y50 W83 P214 | E13-R64 HydrophobicContact CG-CG 4.31Å; E13-R64 WeakPolarHBondContact OE1-CD 3.41Å; E13-R64 IonicContact OE1-CZ 2.66Å; E13-R64 IonicContact OE1-NE 3.75Å; E13-R64 IonicContact OE1-NH1 2.87Å; E13-R64 PolarHBondContact OE1-NH1 3.25Å; E13-R64 IonicContact OE2-NH1 3.79Å; C14-R64 PolarHBondContact O-N 3.43Å; N15-R64 CarbonylContact C-O 3.44Å; N15-R64 WeakPolarHBondContact CA-O 3.37Å; N15-R64 WeakPolarHBondContact OD1-CB 3.5Å; L16-R64 PolarHBondContact N-O 3.31Å; I49-R64 HydrophobicContact CG2-CB 4.22Å; Y50-R64 CarbonylContact O-C 3.54Å; Y50-R64 VanDerWaalsContact O-CA 3.23Å; Y50-R64 WeakPolarHBondContact O-CA 3.3Å; R64-W83 HydrophobicContact CB-CH2 3.77Å; R64-W83 HydrophobicContact CB-CZ2 3.75Å; R64-P214 VanDerWaalsContact NH2-CD 3.34Å; R64-P214 VanDerWaalsContact NH2-CG 3.3Å |
| 65 | V | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.5 | -174.8 | -175.7 | 0 | 0 | 0 | 0 | 109 | L16 L18 T30 F33 I49 Y50 V63 F169 | L16-V65 CarbonylContact O-C 3.51Å; L16-V65 WeakPolarHBondContact O-CA 3.45Å; L18-V65 HydrophobicContact CD1-CG1 3.37Å; T30-V65 HydrophobicContact CG2-CB 4.44Å; T30-V65 HydrophobicContact CG2-CG1 3.9Å; F33-V65 HydrophobicContact CD1-CG2 4.25Å; F33-V65 HydrophobicContact CE1-CG2 4.14Å; I49-V65 CarbonylContact C-O 3.55Å; I49-V65 WeakPolarHBondContact CA-O 3.48Å; Y50-V65 PolarHBondContact N-O 3.12Å; Y50-V65 PolarHBondContact O-N 3.27Å; V63-V65 HydrophobicContact CG1-CG2 3.97Å; V65-F169 HydrophobicContact CG1-CE1 3.94Å; V65-F169 HydrophobicContact CG2-CD1 4.27Å; V65-F169 HydrophobicContact CG2-CE1 3.94Å |
| 66 | M | 97 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112 | 168 | -178.7 | -177.4 | -71.9 | 0 | 0 | 109 | L16 V17 L18 I49 T68 W83 L211 | L16-M66 PolarHBondContact O-N 3.43Å; V17-M66 HydrophobicContact CG1-SD 4.25Å; V17-M66 HydrophobicContact CG2-CB 4.14Å; V17-M66 HydrophobicContact CG2-SD 4.2Å; L18-M66 PolarHBondContact N-O 2.93Å; I49-M66 HydrophobicContact CD1-CE 3.83Å; I49-M66 HydrophobicContact CG1-CB 4.15Å; I49-M66 HydrophobicContact CG1-CE 4.11Å; I49-M66 HydrophobicContact CG1-CG 4.26Å; M66-T68 HydrophobicContact CG-CG2 3.99Å; M66-T68 HydrophobicContact SD-CG2 4.08Å; M66-W83 HydrophobicContact CB-CE3 4.12Å; M66-W83 HydrophobicContact CB-CH2 4.05Å; M66-W83 HydrophobicContact CB-CZ3 3.49Å; M66-W83 VanDerWaalsContact CB-CZ3 3.49Å; M66-W83 HydrophobicContact CE-CD2 3.94Å; M66-W83 HydrophobicContact CE-CE3 3.71Å; M66-W83 HydrophobicContact CE-CG 4.37Å; M66-W83 HydrophobicContact CE-CZ3 4.19Å; M66-W83 HydrophobicContact SD-CE3 4.43Å; M66-L211 HydrophobicContact CE-CD2 3.88Å |
| 67 | D | 95.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.5 | 170.5 | -176.9 | 25.5 | 0 | 0 | 0 | 108.4 | K26 S27 T30 E47 D48 Y50 | K26-D67 WeakPolarHBondContact CB-OD1 3.41Å; S27-D67 WeakPolarHBondContact CA-OD2 3.33Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD1 3.41Å; S27-D67 PolarHBondContact OG-OD2 3.32Å; T30-D67 HydrophobicContact CG2-CB 4.43Å; E47-D67 WeakPolarHBondContact CA-O 3.45Å; D48-D67 PolarHBondContact N-O 3.05Å; D48-D67 PolarHBondContact O-N 3.47Å; Y50-D67 HydrophobicContact CD2-CB 4.47Å; Y50-D67 HydrophobicContact CE2-CB 4.02Å |
| 68 | T | 95.5 | Very high | 91 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -81.8 | 150.9 | -172.8 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | V17 L18 L19 K26 E47 M66 Y80 | V17-T68 HydrophobicContact CG1-CG2 3.86Å; L18-T68 WeakPolarHBondContact O-CG2 3.31Å; L18-T68 PolarHBondContact O-OG1 3.24Å; L19-T68 HydrophobicContact CD2-CG2 3.89Å; K26-T68 WeakPolarHBondContact CE-O 3.29Å; K26-T68 PolarHBondContact NZ-O 3.46Å; E47-T68 VanDerWaalsContact OE2-CA 3.31Å; E47-T68 WeakPolarHBondContact OE2-CA 3.15Å; E47-T68 WeakPolarHBondContact OE2-CB 3.37Å; M66-T68 HydrophobicContact CG-CG2 3.99Å; M66-T68 HydrophobicContact SD-CG2 4.08Å; T68-Y80 HydrophobicContact CG2-CD1 4.34Å | ||
| 69 | C | 91.7 | Very high | 91 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | trans | -125.8 | 86.1 | 170.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | P44 Y45 E47 | P44-C69 PolarHBondContact O-SG 3.47Å; Y45-C69 WeakPolarHBondContact CA-SG 3.48Å; E47-C69 HydrophobicContact CB-CB 3.93Å; E47-C69 PolarHBondContact OE2-N 2.94Å | ||
| 70 | D | 87.8 | Confident | 91 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | trans | -94.9 | 116.7 | 172.1 | -74.9 | -38.2 | 0 | 0 | 0 | 110.7 | G73 R79 Y105 | D70-G73 VanDerWaalsContact CB-O 3.23Å; D70-G73 WeakPolarHBondContact CB-O 3.49Å; D70-G73 VanDerWaalsContact CG-O 3.28Å; D70-R79 IonicContact OD1-CZ 2.87Å; D70-R79 IonicContact OD1-NH1 3.66Å; D70-R79 IonicContact OD1-NH2 3.5Å; D70-R79 PolarHBondContact OD1-NH2 3.11Å; D70-R79 IonicContact OD2-NH2 2.91Å; D70-Y105 WeakPolarHBondContact CB-OH 3.21Å; D70-Y105 WeakPolarHBondContact OD2-CE1 3.46Å; D70-Y105 PolarHBondContact OD2-OH 3.04Å | ||
| 71 | Q | 81 | Confident | 90.9 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -79.8 | -34.2 | 176.7 | -63.8 | -174.9 | 10.2 | 0 | 0 | 112.5 | M22 | M22-Q71 HydrophobicContact SD-CG 4.34Š|
| 72 | E | 84.2 | Confident | 90.6 | Very high | 168 Ų | 168 | 45.4 Ų | 45.4 | 79% | 0.785 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -114.4 | 24.2 | -173.6 | -60.8 | -175.2 | 173.1 | 0 | 0 | 112.7 | V75 | E72-V75 HydrophobicContact CB-CG2 4.17Š|
| 73 | G | 86.9 | Confident | 90.5 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 81.2 | -157.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D70 V75 | D70-G73 VanDerWaalsContact CB-O 3.23Å; D70-G73 WeakPolarHBondContact CB-O 3.49Å; D70-G73 VanDerWaalsContact CG-O 3.28Å; G73-V75 PolarHBondContact O-N 3.05Å |
| 74 | P | 88.9 | Confident | 90.5 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.7 | 58.2 | -169.8 | 31.3 | -36.8 | 0 | 0 | 0 | 114.1 | L104 Y105 T108 | P74-L104 HydrophobicContact CG-CB 4.3Å; P74-Y105 HydrophobicContact CB-CD1 3.63Å; P74-Y105 HydrophobicContact CB-CE1 3.62Å; P74-Y105 HydrophobicContact CB-CG 4.32Å; P74-Y105 HydrophobicContact CG-CD1 4.41Å; P74-Y105 HydrophobicContact CG-CE1 4.5Å; P74-T108 HydrophobicContact CB-CG2 4.17Å; P74-T108 WeakPolarHBondContact CB-OG1 3.42Å; P74-T108 VanDerWaalsContact CG-OG1 3.28Å; P74-T108 WeakPolarHBondContact CG-OG1 3.45Å |
| 75 | V | 83.7 | Confident | 90.5 | Very high | 65 Ų | 65 | 47 Ų | 47 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | trans | -88 | 148.7 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | E72 G73 C77 R79 | E72-V75 HydrophobicContact CB-CG2 4.17Å; G73-V75 PolarHBondContact O-N 3.05Å; V75-C77 VanDerWaalsContact C-N 3.33Å; V75-C77 PolarHBondContact O-N 3.03Å; V75-R79 PolarHBondContact O-NH1 3.12Å | ||
| 76 | N | 85.4 | Confident | 90.5 | Very high | 128 Ų | 128 | 47 Ų | 47 | 68% | 0.684 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 55.4 | 43.6 | 179.9 | -56.6 | -42.9 | 0 | 0 | 0 | 113.4 | E78 R79 | N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.91Å; N76-R79 WeakPolarHBondContact O-CG 3.26Å; N76-R79 PolarHBondContact O-NH1 2.79Å |
| 77 | C | 89.1 | Confident | 90.6 | Very high | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.8 | -171.6 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | V75 R79 Y80 L81 T108 | V75-C77 VanDerWaalsContact C-N 3.33Å; V75-C77 PolarHBondContact O-N 3.03Å; C77-R79 PolarHBondContact O-N 2.88Å; C77-Y80 VanDerWaalsContact CA-CZ 3.43Å; C77-Y80 HydrophobicContact CB-CE1 4.26Å; C77-Y80 HydrophobicContact CB-CE2 3.7Å; C77-Y80 VanDerWaalsContact CB-CZ 3.48Å; C77-Y80 WeakPolarHBondContact CB-OH 3.18Å; C77-Y80 VanDerWaalsContact O-CD2 3.29Å; C77-Y80 WeakPolarHBondContact O-CD2 3.42Å; C77-Y80 WeakPolarHBondContact O-CE2 3.34Å; C77-Y80 PolarHBondContact O-N 2.82Å; C77-L81 HydrophobicContact CB-CD1 3.75Å; C77-L81 HydrophobicContact CB-CG 4.11Å; C77-L81 WeakPolarHBondContact O-CG 3.49Å; C77-L81 PolarHBondContact O-N 3.23Å; C77-L81 VanDerWaalsContact SG-CD1 3.59Å; C77-T108 HydrophobicContact CB-CG2 3.97Å |
| 78 | E | 88.7 | Confident | 90.7 | Very high | 145 Ų | 145 | 46.9 Ų | 46.9 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -50.7 | -34.3 | -179.7 | -64.1 | -178.8 | 175.9 | 0 | 0 | 113.8 | N76 Y80 S82 | N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.91Å; E78-Y80 VanDerWaalsContact C-N 3.27Å; E78-Y80 PolarHBondContact O-N 3.45Å; E78-S82 PolarHBondContact O-N 3.13Å; E78-S82 PolarHBondContact O-OG 2.88Å |
| 79 | R | 90.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 46.7 Ų | 46.7 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -32.5 | -178.4 | 77.1 | -172.2 | -171.6 | -85.7 | 4.3 | 113.9 | E47 D70 V75 N76 C77 | E47-R79 IonicContact OE1-CZ 2.77Å; E47-R79 IonicContact OE1-NE 2.74Å; E47-R79 PolarHBondContact OE1-NE 2.74Å; E47-R79 IonicContact OE1-NH2 3.24Å; E47-R79 IonicContact OE2-CZ 3.67Å; E47-R79 IonicContact OE2-NE 2.76Å; E47-R79 PolarHBondContact OE2-NE 2.92Å; E47-R79 IonicContact OE2-NH2 3.37Å; E47-R79 PolarHBondContact OE2-NH2 2.91Å; D70-R79 IonicContact OD1-CZ 2.87Å; D70-R79 IonicContact OD1-NH1 3.66Å; D70-R79 IonicContact OD1-NH2 3.5Å; D70-R79 PolarHBondContact OD1-NH2 3.11Å; D70-R79 IonicContact OD2-NH2 2.91Å; V75-R79 PolarHBondContact O-NH1 3.12Å; N76-R79 WeakPolarHBondContact O-CG 3.26Å; N76-R79 PolarHBondContact O-NH1 2.79Å; C77-R79 PolarHBondContact O-N 2.88Å |
| 80 | Y | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -107.6 | -26.5 | 179.6 | 55.1 | -114.4 | 0 | 0 | 0 | 112.7 | V17 L19 T68 C77 E78 W83 A84 F87 | V17-Y80 HydrophobicContact CG1-CG 4.17Å; L19-Y80 HydrophobicContact CD1-CD2 4.37Å; L19-Y80 HydrophobicContact CD1-CE2 4.04Å; L19-Y80 HydrophobicContact CD2-CD1 4Å; L19-Y80 HydrophobicContact CD2-CD2 4.11Å; L19-Y80 HydrophobicContact CD2-CE1 3.82Å; L19-Y80 HydrophobicContact CD2-CE2 3.95Å; L19-Y80 HydrophobicContact CD2-CG 4.15Å; T68-Y80 HydrophobicContact CG2-CD1 4.34Å; C77-Y80 VanDerWaalsContact CA-CZ 3.43Å; C77-Y80 HydrophobicContact CB-CE1 4.26Å; C77-Y80 HydrophobicContact CB-CE2 3.7Å; C77-Y80 VanDerWaalsContact CB-CZ 3.48Å; C77-Y80 WeakPolarHBondContact CB-OH 3.18Å; C77-Y80 VanDerWaalsContact O-CD2 3.29Å; C77-Y80 WeakPolarHBondContact O-CD2 3.42Å; C77-Y80 WeakPolarHBondContact O-CE2 3.34Å; C77-Y80 PolarHBondContact O-N 2.82Å; E78-Y80 VanDerWaalsContact C-N 3.27Å; E78-Y80 PolarHBondContact O-N 3.45Å; Y80-W83 PolarHBondContact O-N 2.93Å; Y80-A84 WeakPolarHBondContact O-CB 3.23Å; Y80-A84 PolarHBondContact O-N 3.47Å; Y80-A84 VanDerWaalsContact O-N 3.11Å; Y80-F87 HydrophobicContact CD2-CE1 4.07Å |
| 81 | L | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 178.9 | -70.9 | 172.3 | 0 | 0 | 0 | 111.2 | C77 W83 F87 L109 H112 T115 F116 | C77-L81 HydrophobicContact CB-CD1 3.75Å; C77-L81 HydrophobicContact CB-CG 4.11Å; C77-L81 WeakPolarHBondContact O-CG 3.49Å; C77-L81 PolarHBondContact O-N 3.23Å; C77-L81 VanDerWaalsContact SG-CD1 3.59Å; L81-W83 VanDerWaalsContact C-N 3.29Å; L81-W83 PolarHBondContact O-N 3.28Å; L81-F87 HydrophobicContact CD2-CZ 4.22Å; L81-L109 HydrophobicContact CD2-CD2 3.59Å; L81-H112 HydrophobicContact CD1-CB 3.61Å; L81-H112 HydrophobicContact CD2-CB 4.21Å; L81-T115 HydrophobicContact CB-CG2 3.83Å; L81-T115 HydrophobicContact CD1-CG2 4.21Å; L81-F116 HydrophobicContact CB-CD1 4.4Å; L81-F116 HydrophobicContact CD2-CD1 3.71Å; L81-F116 HydrophobicContact CD2-CE1 3.66Å; L81-F116 WeakPolarHBondContact O-CB 3.5Å |
| 82 | S | 87.8 | Confident | 92.6 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 60% | 0.601 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -18.9 | -177.7 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | E78 | E78-S82 PolarHBondContact O-N 3.13Å; E78-S82 PolarHBondContact O-OG 2.88Å |
| 83 | W | 92.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -29.9 | -174.5 | -176.2 | 78.8 | 0 | 0 | 0 | 113.3 | N15 V17 I49 R64 M66 Y80 L81 L211 | N15-W83 HydrophobicContact CB-CD2 3.94Å; N15-W83 HydrophobicContact CB-CE3 3.84Å; N15-W83 HydrophobicContact CB-CH2 3.65Å; N15-W83 HydrophobicContact CB-CZ2 3.73Å; N15-W83 HydrophobicContact CB-CZ3 3.69Å; N15-W83 VanDerWaalsContact CB-O 3.24Å; N15-W83 WeakPolarHBondContact CB-O 3.49Å; N15-W83 VanDerWaalsContact CG-CZ2 3.43Å; N15-W83 PolarHBondContact ND2-NE1 3.02Å; N15-W83 PolarHBondContact ND2-O 3.47Å; N15-W83 VanDerWaalsContact ND2-O 3.09Å; N15-W83 WeakPolarHBondContact OD1-CZ2 3.3Å; V17-W83 HydrophobicContact CG2-CE3 3.53Å; V17-W83 HydrophobicContact CG2-CZ3 3.71Å; I49-W83 HydrophobicContact CD1-CZ2 4.15Å; I49-W83 HydrophobicContact CG2-CH2 3.97Å; I49-W83 HydrophobicContact CG2-CZ2 3.9Å; R64-W83 HydrophobicContact CB-CH2 3.77Å; R64-W83 HydrophobicContact CB-CZ2 3.75Å; M66-W83 HydrophobicContact CB-CE3 4.12Å; M66-W83 HydrophobicContact CB-CH2 4.05Å; M66-W83 HydrophobicContact CB-CZ3 3.49Å; M66-W83 VanDerWaalsContact CB-CZ3 3.49Å; M66-W83 HydrophobicContact CE-CD2 3.94Å; M66-W83 HydrophobicContact CE-CE3 3.71Å; M66-W83 HydrophobicContact CE-CG 4.37Å; M66-W83 HydrophobicContact CE-CZ3 4.19Å; M66-W83 HydrophobicContact SD-CE3 4.43Å; Y80-W83 PolarHBondContact O-N 2.93Å; L81-W83 VanDerWaalsContact C-N 3.29Å; L81-W83 PolarHBondContact O-N 3.28Å; W83-L211 VanDerWaalsContact CD1-CD1 3.48Å; W83-L211 HydrophobicContact CG-CD1 4.03Å |
| 84 | A | 95.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | trans | -72.4 | 139.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V17 Y80 F87 | V17-A84 HydrophobicContact CB-CB 4.35Å; V17-A84 HydrophobicContact CG2-CB 3.62Å; Y80-A84 WeakPolarHBondContact O-CB 3.23Å; Y80-A84 PolarHBondContact O-N 3.47Å; Y80-A84 VanDerWaalsContact O-N 3.11Å; A84-F87 HydrophobicContact CB-CD1 4.02Å; A84-F87 HydrophobicContact CB-CE1 3.37Å; A84-F87 HydrophobicContact CB-CE2 3.95Å; A84-F87 HydrophobicContact CB-CZ 3.33Å | ||
| 85 | N | 96.1 | Very high | 94.3 | Very high | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -98.7 | -15.1 | 159.6 | -54.8 | 134.7 | 0 | 0 | 0 | 112.5 | C14 N15 T120 P121 A176 | C14-N85 WeakPolarHBondContact CA-OD1 3.19Å; N15-N85 PolarHBondContact N-OD1 2.63Å; N15-N85 WeakPolarHBondContact O-CA 3.46Å; N15-N85 WeakPolarHBondContact O-CB 3.1Å; N15-N85 PolarHBondContact O-N 3.28Å; N85-T120 WeakPolarHBondContact O-CG2 3.45Å; N85-P121 WeakPolarHBondContact O-CD 3.43Å; N85-A176 HydrophobicContact CB-CB 4.12Å; N85-A176 VanDerWaalsContact O-CB 3.3Å; N85-A176 WeakPolarHBondContact O-CB 3.24Å |
| 86 | A | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 154.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N15 L16 V17 P121 A172 A176 | N15-A86 PolarHBondContact O-N 3.23Å; L16-A86 HydrophobicContact CD2-CB 3.71Å; V17-A86 PolarHBondContact N-O 3.25Å; A86-P121 WeakPolarHBondContact CA-O 3.32Å; A86-P121 HydrophobicContact CB-CG 3.65Å; A86-A172 HydrophobicContact CB-CB 3.97Å; A86-A176 HydrophobicContact CB-CB 4.44Å |
| 87 | F | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132 | 175.2 | -60.1 | -78.9 | 0 | 0 | 0 | 111.4 | V17 L19 Y80 L81 A84 L109 F116 T120 P121 I122 I123 | V17-F87 HydrophobicContact CB-CD1 3.87Å; V17-F87 HydrophobicContact CB-CE1 4.15Å; V17-F87 HydrophobicContact CG1-CD1 4.27Å; V17-F87 HydrophobicContact CG1-CE1 4.47Å; V17-F87 HydrophobicContact CG2-CE1 4.36Å; L19-F87 HydrophobicContact CD1-CD1 3.73Å; L19-F87 HydrophobicContact CD1-CE1 4.33Å; L19-F87 HydrophobicContact CD1-CG 4.47Å; L19-F87 HydrophobicContact CG-CD1 4.45Å; Y80-F87 HydrophobicContact CD2-CE1 4.07Å; L81-F87 HydrophobicContact CD2-CZ 4.22Å; A84-F87 HydrophobicContact CB-CD1 4.02Å; A84-F87 HydrophobicContact CB-CE1 3.37Å; A84-F87 HydrophobicContact CB-CE2 3.95Å; A84-F87 HydrophobicContact CB-CZ 3.33Å; F87-L109 HydrophobicContact CB-CD1 4.01Å; F87-L109 HydrophobicContact CD1-CD1 4.44Å; F87-L109 HydrophobicContact CD1-CD2 4.01Å; F87-L109 HydrophobicContact CD2-CD1 4.14Å; F87-L109 HydrophobicContact CD2-CD2 3.95Å; F87-L109 HydrophobicContact CE1-CD2 3.89Å; F87-L109 HydrophobicContact CE2-CD2 3.81Å; F87-L109 HydrophobicContact CG-CD1 3.94Å; F87-L109 HydrophobicContact CG-CD2 4.05Å; F87-L109 HydrophobicContact CZ-CD2 3.78Å; F87-F116 HydrophobicContact CE2-CD1 4.15Å; F87-F116 HydrophobicContact CE2-CD2 4.03Å; F87-F116 HydrophobicContact CE2-CE1 4.16Å; F87-F116 HydrophobicContact CE2-CE2 4.02Å; F87-F116 HydrophobicContact CE2-CG 4.09Å; F87-F116 HydrophobicContact CE2-CZ 4.08Å; F87-F116 HydrophobicContact CZ-CD1 4.3Å; F87-F116 HydrophobicContact CZ-CG 4.46Å; F87-T120 HydrophobicContact CD2-CG2 3.81Å; F87-T120 HydrophobicContact CE2-CG2 3.68Å; F87-P121 PolarHBondContact N-O 3.13Å; F87-I122 HydrophobicContact CB-CG1 4.39Å; F87-I122 HydrophobicContact CD2-CG1 4.19Å; F87-I123 PolarHBondContact O-N 3.16Å |
| 88 | L | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 106.6 | 166 | -63.3 | 178.5 | 0 | 0 | 0 | 107.7 | V17 L18 L19 I123 V125 F169 A172 | V17-L88 PolarHBondContact O-N 3.41Å; L18-L88 CarbonylContact C-O 3.35Å; L18-L88 WeakPolarHBondContact CA-O 3.48Å; L18-L88 HydrophobicContact CD1-CB 4.47Å; L18-L88 HydrophobicContact CD1-CD1 3.94Å; L18-L88 HydrophobicContact CG-CB 4.06Å; L18-L88 HydrophobicContact CG-CD1 4.16Å; L19-L88 PolarHBondContact N-O 3.39Å; L88-I123 CarbonylContact C-O 3.55Å; L88-I123 WeakPolarHBondContact CA-O 3.39Å; L88-I123 HydrophobicContact CD2-CB 3.81Å; L88-I123 HydrophobicContact CD2-CD1 4.07Å; L88-I123 HydrophobicContact CD2-CG1 4.27Å; L88-I123 HydrophobicContact CD2-CG2 4.36Å; L88-V125 HydrophobicContact CD2-CG2 4.44Å; L88-F169 HydrophobicContact CD1-CD1 4.09Å; L88-F169 HydrophobicContact CD1-CD2 4.24Å; L88-F169 HydrophobicContact CD1-CE1 3.9Å; L88-F169 HydrophobicContact CD1-CE2 4.07Å; L88-F169 HydrophobicContact CD1-CG 4.25Å; L88-F169 HydrophobicContact CD1-CZ 3.9Å; L88-A172 HydrophobicContact CD2-CB 4.09Å |
| 89 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.7 | 179.1 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | L19 C102 L106 L109 I122 I123 L124 V125 | L19-V89 HydrophobicContact CB-CG2 4.47Å; L19-V89 CarbonylContact O-C 3.56Å; V89-C102 HydrophobicContact CG1-CB 3.81Å; V89-L106 HydrophobicContact CB-CD2 4.3Å; V89-L106 HydrophobicContact CG1-CG 4.32Å; V89-L106 HydrophobicContact CG2-CD2 3.91Å; V89-L109 HydrophobicContact CG2-CD1 3.92Å; V89-I122 HydrophobicContact CG2-CG2 3.94Å; V89-I123 PolarHBondContact N-O 3.07Å; V89-L124 CarbonylContact O-C 3.59Å; V89-L124 WeakPolarHBondContact O-CA 3.34Å; V89-L124 WeakPolarHBondContact O-CD1 3.42Å; V89-V125 PolarHBondContact O-N 3Å |
| 90 | V | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.9 | -167.7 | -170 | 0 | 0 | 0 | 0 | 111 | L19 G20 C24 K26 L29 V125 N127 | L19-V90 PolarHBondContact O-N 3.12Å; G20-V90 WeakPolarHBondContact CA-O 3.46Å; C24-V90 HydrophobicContact CB-CG1 4.46Å; C24-V90 PolarHBondContact SG-O 3.19Å; K26-V90 HydrophobicContact CG-CB 4.24Å; K26-V90 HydrophobicContact CG-CG2 4.36Å; L29-V90 HydrophobicContact CD1-CG1 3.83Å; L29-V90 HydrophobicContact CD1-CG2 4.1Å; V90-V125 WeakPolarHBondContact CA-O 3.37Å; V90-V125 HydrophobicContact CG2-CB 4.3Å; V90-N127 HydrophobicContact CG1-CB 3.81Å |
| 91 | Y | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 173 | 162.8 | 72.3 | -83.4 | 0 | 0 | 0 | 110.1 | I93 F99 L124 V125 G126 N127 V137 F153 | Y91-I93 HydrophobicContact CE2-CG2 4.17Å; Y91-F99 AromaticContact CD1-CD2 3.97Å; Y91-F99 HydrophobicContact CD1-CD2 3.97Å; Y91-F99 HydrophobicContact CD2-CB 4.01Å; Y91-F99 AromaticContact CD2-CD2 3.7Å; Y91-F99 HydrophobicContact CD2-CD2 3.7Å; Y91-F99 HydrophobicContact CD2-CG 4.29Å; Y91-F99 AromaticContact CE1-CD2 3.99Å; Y91-F99 HydrophobicContact CE1-CD2 3.99Å; Y91-F99 HydrophobicContact CE1-CE2 4.17Å; Y91-F99 AromaticContact CE2-CD2 3.75Å; Y91-F99 HydrophobicContact CE2-CD2 3.75Å; Y91-F99 HydrophobicContact CE2-CE2 4.33Å; Y91-F99 HydrophobicContact CG-CB 4.35Å; Y91-F99 AromaticContact CG-CD2 3.82Å; Y91-F99 HydrophobicContact CG-CD2 3.82Å; Y91-F99 AromaticContact CZ-CD2 3.9Å; Y91-L124 HydrophobicContact CD1-CD1 3.73Å; Y91-L124 HydrophobicContact CD1-CG 4.29Å; Y91-L124 HydrophobicContact CE1-CD1 3.9Å; Y91-L124 HydrophobicContact CE1-CD2 4.24Å; Y91-L124 HydrophobicContact CE1-CG 3.94Å; Y91-V125 WeakPolarHBondContact CD1-O 3.47Å; Y91-V125 PolarHBondContact N-O 3.04Å; Y91-G126 VanDerWaalsContact CE1-CA 3.5Å; Y91-G126 VanDerWaalsContact CZ-CA 3.49Å; Y91-N127 VanDerWaalsContact O-CB 3.3Å; Y91-N127 WeakPolarHBondContact O-CB 3.5Å; Y91-N127 PolarHBondContact O-N 3.39Å; Y91-V137 HydrophobicContact CE2-CB 4.08Å; Y91-V137 HydrophobicContact CE2-CG1 3.79Å; Y91-V137 HydrophobicContact CE2-CG2 4.48Å; Y91-F153 AromaticContact CE1-CE2 3.99Å; Y91-F153 HydrophobicContact CE1-CE2 3.99Å; Y91-F153 VanDerWaalsContact OH-CE2 3.3Å; Y91-F153 WeakPolarHBondContact OH-CE2 3.33Å; Y91-F153 WeakPolarHBondContact OH-CZ 3.27Å |
| 92 | S | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.6 | 175.7 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | N94 S95 S98 N127 K128 | S92-N94 PolarHBondContact O-N 2.82Å; S92-N94 PolarHBondContact OG-OD1 2.87Å; S92-S95 PolarHBondContact O-N 3.25Å; S92-S98 PolarHBondContact N-OG 2.8Å; S92-S98 PolarHBondContact O-OG 3.47Å; S92-N127 WeakPolarHBondContact CA-O 3.19Å; S92-K128 WeakPolarHBondContact OG-CD 3.28Å; S92-K128 WeakPolarHBondContact OG-CE 3.38Å; S92-K128 WeakPolarHBondContact OG-CG 3.37Å; S92-K128 PolarHBondContact OG-NZ 3.31Å |
| 93 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.5 | -176.1 | 63.9 | 157.3 | 0 | 0 | 0 | 113.3 | Y91 N127 K128 L129 D132 Q136 V137 E155 | Y91-I93 HydrophobicContact CE2-CG2 4.17Å; I93-N127 PolarHBondContact N-O 2.75Å; I93-K128 WeakPolarHBondContact CD1-O 3.3Å; I93-K128 WeakPolarHBondContact CG1-O 3.37Å; I93-L129 HydrophobicContact CD1-CD1 4.15Å; I93-D132 HydrophobicContact CD1-CB 4.46Å; I93-Q136 PolarHBondContact O-N 2.99Å; I93-V137 PolarHBondContact O-N 2.8Å; I93-E155 WeakPolarHBondContact CG2-OE1 3.35Å |
| 94 | N | 98.7 | Very high | 98.2 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.6 | 177.9 | 74.2 | -18.8 | 0 | 0 | 0 | 113.7 | S92 M131 Y134 Q136 | S92-N94 PolarHBondContact O-N 2.82Å; S92-N94 PolarHBondContact OG-OD1 2.87Å; N94-M131 HydrophobicContact CB-CB 4.15Å; N94-Y134 WeakPolarHBondContact CA-O 3.41Å; N94-Y134 VanDerWaalsContact CB-O 3.27Å; N94-Y134 WeakPolarHBondContact CB-O 3.46Å; N94-Q136 PolarHBondContact O-NE2 2.75Å |
| 95 | S | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | trans | -140.8 | 104.2 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | S92 E97 S98 F99 | S92-S95 PolarHBondContact O-N 3.25Å; S95-E97 PolarHBondContact O-N 3.1Å; S95-S98 WeakPolarHBondContact CB-OG 3.38Å; S95-S98 PolarHBondContact O-N 2.94Å; S95-S98 PolarHBondContact O-OG 2.68Å; S95-S98 PolarHBondContact OG-N 3.43Å; S95-S98 VanDerWaalsContact OG-N 3.14Å; S95-F99 PolarHBondContact O-N 3.35Å | ||
| 96 | M | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 28.8 Ų | 28.8 | 35% | 0.35 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.6 | -33.4 | 173 | 179.5 | 56.7 | 69.2 | 0 | 0 | 112.2 | F99 K100 Q136 V137 | M96-F99 PolarHBondContact O-N 2.97Å; M96-F99 HydrophobicContact SD-CD1 4.05Å; M96-K100 WeakPolarHBondContact O-CG 3.39Å; M96-K100 PolarHBondContact O-N 2.87Å; M96-Q136 HydrophobicContact CB-CB 4.37Å; M96-Q136 WeakPolarHBondContact CE-O 3.45Å; M96-V137 HydrophobicContact CE-CG2 4.1Å; M96-V137 HydrophobicContact SD-CG2 4.41Å |
| 97 | E | 97.9 | Very high | 98.3 | Very high | 160 Ų | 160 | 32.2 Ų | 32.2 | 75% | 0.748 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -62.7 | -46 | 175.6 | -176.4 | 177.6 | -169.8 | 0 | 0 | 111.6 | S95 F99 K100 G101 | S95-E97 PolarHBondContact O-N 3.1Å; E97-F99 PolarHBondContact O-N 3.3Å; E97-K100 PolarHBondContact O-N 3.31Å; E97-G101 PolarHBondContact O-N 3.44Å |
| 98 | S | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -31.3 | 176.8 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | S92 S95 G101 C102 | S92-S98 PolarHBondContact N-OG 2.8Å; S92-S98 PolarHBondContact O-OG 3.47Å; S95-S98 WeakPolarHBondContact CB-OG 3.38Å; S95-S98 PolarHBondContact O-N 2.94Å; S95-S98 PolarHBondContact O-OG 2.68Å; S95-S98 PolarHBondContact OG-N 3.43Å; S95-S98 VanDerWaalsContact OG-N 3.14Å; S98-G101 PolarHBondContact O-N 2.95Å; S98-C102 PolarHBondContact O-N 3.37Å |
| 99 | F | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.2 | -35.9 | 176.5 | -176.1 | -114.6 | 0 | 0 | 0 | 112.9 | Y91 S95 M96 E97 G101 C102 Q103 V137 D141 V145 | Y91-F99 AromaticContact CD1-CD2 3.97Å; Y91-F99 HydrophobicContact CD1-CD2 3.97Å; Y91-F99 HydrophobicContact CD2-CB 4.01Å; Y91-F99 AromaticContact CD2-CD2 3.7Å; Y91-F99 HydrophobicContact CD2-CD2 3.7Å; Y91-F99 HydrophobicContact CD2-CG 4.29Å; Y91-F99 AromaticContact CE1-CD2 3.99Å; Y91-F99 HydrophobicContact CE1-CD2 3.99Å; Y91-F99 HydrophobicContact CE1-CE2 4.17Å; Y91-F99 AromaticContact CE2-CD2 3.75Å; Y91-F99 HydrophobicContact CE2-CD2 3.75Å; Y91-F99 HydrophobicContact CE2-CE2 4.33Å; Y91-F99 HydrophobicContact CG-CB 4.35Å; Y91-F99 AromaticContact CG-CD2 3.82Å; Y91-F99 HydrophobicContact CG-CD2 3.82Å; Y91-F99 AromaticContact CZ-CD2 3.9Å; S95-F99 PolarHBondContact O-N 3.35Å; M96-F99 PolarHBondContact O-N 2.97Å; M96-F99 HydrophobicContact SD-CD1 4.05Å; E97-F99 PolarHBondContact O-N 3.3Å; F99-G101 VanDerWaalsContact C-N 3.31Å; F99-C102 PolarHBondContact O-SG 3.36Å; F99-Q103 VanDerWaalsContact CE1-NE2 3.27Å; F99-Q103 WeakPolarHBondContact O-CG 3.32Å; F99-Q103 PolarHBondContact O-N 2.77Å; F99-V137 HydrophobicContact CB-CG1 4.42Å; F99-V137 HydrophobicContact CB-CG2 3.63Å; F99-V137 HydrophobicContact CD1-CG1 3.86Å; F99-V137 HydrophobicContact CD1-CG2 4.07Å; F99-V137 HydrophobicContact CD2-CG1 3.72Å; F99-V137 HydrophobicContact CD2-CG2 4.47Å; F99-V137 HydrophobicContact CE1-CG1 3.93Å; F99-V137 HydrophobicContact CE2-CG1 3.79Å; F99-V137 HydrophobicContact CG-CB 4.45Å; F99-V137 HydrophobicContact CG-CG1 3.74Å; F99-V137 HydrophobicContact CG-CG2 3.83Å; F99-V137 HydrophobicContact CZ-CG1 3.87Å; F99-D141 HydrophobicContact CE1-CB 4.12Å; F99-D141 HydrophobicContact CZ-CB 3.91Å; F99-V145 HydrophobicContact CE1-CG2 4.22Å; F99-V145 HydrophobicContact CE2-CB 4.43Å; F99-V145 HydrophobicContact CE2-CG2 4.08Å; F99-V145 HydrophobicContact CZ-CB 4.23Å; F99-V145 HydrophobicContact CZ-CG2 3.46Å; F99-V145 VanDerWaalsContact CZ-CG2 3.46Å |
| 100 | K | 98.2 | Very high | 97.9 | Very high | 136 Ų | 136 | 36.8 Ų | 36.8 | 59% | 0.591 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.6 | -43 | 166.8 | -69 | 176.2 | -177.9 | 178.7 | 0 | 110.6 | M96 E97 C102 Q103 L104 | M96-K100 WeakPolarHBondContact O-CG 3.39Å; M96-K100 PolarHBondContact O-N 2.87Å; E97-K100 PolarHBondContact O-N 3.31Å; K100-C102 PolarHBondContact O-N 3.22Å; K100-Q103 PolarHBondContact O-N 3.35Å; K100-L104 PolarHBondContact O-N 3.5Å |
| 101 | G | 97.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 43 Ų | 43 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E97 S98 F99 Q103 L104 Y105 | E97-G101 PolarHBondContact O-N 3.44Å; S98-G101 PolarHBondContact O-N 2.95Å; F99-G101 VanDerWaalsContact C-N 3.31Å; G101-Q103 VanDerWaalsContact C-N 3.27Å; G101-Q103 PolarHBondContact O-N 3.24Å; G101-L104 WeakPolarHBondContact O-CB 3.18Å; G101-L104 PolarHBondContact O-N 3.22Å; G101-L104 VanDerWaalsContact O-N 3.08Å; G101-Y105 VanDerWaalsContact O-CD2 3.24Å; G101-Y105 WeakPolarHBondContact O-CD2 3.43Å; G101-Y105 PolarHBondContact O-N 3.13Å |
| 102 | C | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -34 | 179.3 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | V89 S98 F99 K100 L104 Y105 L106 L124 | V89-C102 HydrophobicContact CG1-CB 3.81Å; S98-C102 PolarHBondContact O-N 3.37Å; F99-C102 PolarHBondContact O-SG 3.36Å; K100-C102 PolarHBondContact O-N 3.22Å; C102-L104 VanDerWaalsContact C-N 3.32Å; C102-L104 PolarHBondContact O-N 3.33Å; C102-Y105 PolarHBondContact O-N 3.17Å; C102-L106 WeakPolarHBondContact O-CG 3.29Å; C102-L106 PolarHBondContact O-N 2.94Å; C102-L124 HydrophobicContact CB-CD1 4.34Å |
| 103 | Q | 98.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 174.3 | -69.8 | 178 | 53.8 | 0 | 0 | 112.3 | F99 K100 G101 L106 Q107 V145 | F99-Q103 VanDerWaalsContact CE1-NE2 3.27Å; F99-Q103 WeakPolarHBondContact O-CG 3.32Å; F99-Q103 PolarHBondContact O-N 2.77Å; K100-Q103 PolarHBondContact O-N 3.35Å; G101-Q103 VanDerWaalsContact C-N 3.27Å; G101-Q103 PolarHBondContact O-N 3.24Å; Q103-L106 PolarHBondContact O-N 2.85Å; Q103-Q107 WeakPolarHBondContact O-CB 3.31Å; Q103-Q107 VanDerWaalsContact O-CG 3.24Å; Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 2.77Å; Q103-V145 HydrophobicContact CG-CG1 4Å; Q103-V145 HydrophobicContact CG-CG2 4.12Å |
| 104 | L | 97.8 | Very high | 96 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 173.3 | -62.6 | 175.7 | 0 | 0 | 0 | 111.1 | P74 K100 G101 C102 L106 Q107 T108 | P74-L104 HydrophobicContact CG-CB 4.3Å; K100-L104 PolarHBondContact O-N 3.5Å; G101-L104 WeakPolarHBondContact O-CB 3.18Å; G101-L104 PolarHBondContact O-N 3.22Å; G101-L104 VanDerWaalsContact O-N 3.08Å; C102-L104 VanDerWaalsContact C-N 3.32Å; C102-L104 PolarHBondContact O-N 3.33Å; L104-L106 PolarHBondContact O-N 2.86Å; L104-Q107 WeakPolarHBondContact O-CB 3.33Å; L104-Q107 PolarHBondContact O-N 3.37Å; L104-T108 PolarHBondContact O-N 3.49Å; L104-T108 PolarHBondContact O-OG1 2.9Å |
| 105 | Y | 98.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.3 | -75.7 | -80 | 0 | 0 | 0 | 112.4 | L19 G20 D70 P74 G101 C102 Q107 T108 L109 | L19-Y105 HydrophobicContact CB-CD1 3.68Å; L19-Y105 HydrophobicContact CB-CE1 4.06Å; L19-Y105 HydrophobicContact CB-CG 4Å; L19-Y105 HydrophobicContact CD1-CD1 4Å; L19-Y105 HydrophobicContact CD2-CD1 4.05Å; L19-Y105 HydrophobicContact CD2-CE1 3.97Å; L19-Y105 HydrophobicContact CG-CD1 4.12Å; L19-Y105 HydrophobicContact CG-CE1 4.47Å; G20-Y105 VanDerWaalsContact CA-CE2 3.47Å; D70-Y105 WeakPolarHBondContact CB-OH 3.21Å; D70-Y105 WeakPolarHBondContact OD2-CE1 3.46Å; D70-Y105 PolarHBondContact OD2-OH 3.04Å; P74-Y105 HydrophobicContact CB-CD1 3.63Å; P74-Y105 HydrophobicContact CB-CE1 3.62Å; P74-Y105 HydrophobicContact CB-CG 4.32Å; P74-Y105 HydrophobicContact CG-CD1 4.41Å; P74-Y105 HydrophobicContact CG-CE1 4.5Å; G101-Y105 VanDerWaalsContact O-CD2 3.24Å; G101-Y105 WeakPolarHBondContact O-CD2 3.43Å; G101-Y105 PolarHBondContact O-N 3.13Å; C102-Y105 PolarHBondContact O-N 3.17Å; Y105-Q107 VanDerWaalsContact C-N 3.3Å; Y105-Q107 PolarHBondContact O-N 3.13Å; Y105-T108 PolarHBondContact O-N 3.26Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 3.26Å |
| 106 | L | 97.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.1 | -69.4 | 171.6 | 0 | 0 | 0 | 111.9 | V89 C102 Q103 L104 L109 S110 I122 L124 V145 F149 | V89-L106 HydrophobicContact CB-CD2 4.3Å; V89-L106 HydrophobicContact CG1-CG 4.32Å; V89-L106 HydrophobicContact CG2-CD2 3.91Å; C102-L106 WeakPolarHBondContact O-CG 3.29Å; C102-L106 PolarHBondContact O-N 2.94Å; Q103-L106 PolarHBondContact O-N 2.85Å; L104-L106 PolarHBondContact O-N 2.86Å; L106-L109 PolarHBondContact O-N 2.79Å; L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.87Å; L106-I122 HydrophobicContact CD2-CG2 3.66Å; L106-L124 HydrophobicContact CD1-CD1 4.3Å; L106-V145 HydrophobicContact CD1-CG1 3.53Å; L106-F149 HydrophobicContact CB-CB 4.41Å; L106-F149 HydrophobicContact CB-CD1 3.72Å; L106-F149 HydrophobicContact CB-CD2 3.89Å; L106-F149 HydrophobicContact CB-CE1 3.85Å; L106-F149 HydrophobicContact CB-CE2 4.02Å; L106-F149 HydrophobicContact CB-CG 3.75Å; L106-F149 HydrophobicContact CB-CZ 4Å; L106-F149 HydrophobicContact CD1-CB 4.35Å; L106-F149 HydrophobicContact CD1-CD2 3.68Å; L106-F149 HydrophobicContact CD1-CE2 4.17Å; L106-F149 HydrophobicContact CD1-CG 4.07Å; L106-F149 HydrophobicContact CD2-CB 4.4Å; L106-F149 HydrophobicContact CG-CD2 4.37Å; L106-F149 HydrophobicContact CG-CG 4.36Å |
| 107 | Q | 97 | Very high | 93.7 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.1 | -72.1 | 170.6 | 4.8 | 0 | 0 | 111.6 | Q103 L104 Y105 L109 S110 I111 F149 | Q103-Q107 WeakPolarHBondContact O-CB 3.31Å; Q103-Q107 VanDerWaalsContact O-CG 3.24Å; Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 2.77Å; L104-Q107 WeakPolarHBondContact O-CB 3.33Å; L104-Q107 PolarHBondContact O-N 3.37Å; Y105-Q107 VanDerWaalsContact C-N 3.3Å; Y105-Q107 PolarHBondContact O-N 3.13Å; Q107-L109 PolarHBondContact O-N 3.35Å; Q107-S110 WeakPolarHBondContact O-CB 3.48Å; Q107-S110 PolarHBondContact O-N 2.84Å; Q107-I111 WeakPolarHBondContact O-CG1 3.26Å; Q107-I111 PolarHBondContact O-N 2.81Å; Q107-F149 HydrophobicContact CG-CE1 3.9Å; Q107-F149 HydrophobicContact CG-CZ 3.71Å |
| 108 | T | 95.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | P74 C77 L104 Y105 S110 I111 H112 | P74-T108 HydrophobicContact CB-CG2 4.17Å; P74-T108 WeakPolarHBondContact CB-OG1 3.42Å; P74-T108 VanDerWaalsContact CG-OG1 3.28Å; P74-T108 WeakPolarHBondContact CG-OG1 3.45Å; C77-T108 HydrophobicContact CB-CG2 3.97Å; L104-T108 PolarHBondContact O-N 3.49Å; L104-T108 PolarHBondContact O-OG1 2.9Å; Y105-T108 PolarHBondContact O-N 3.26Å; T108-S110 VanDerWaalsContact C-N 3.28Å; T108-S110 PolarHBondContact O-N 3.05Å; T108-I111 PolarHBondContact O-N 2.76Å; T108-H112 WeakPolarHBondContact O-CB 3.31Å; T108-H112 PolarHBondContact O-CD2 2.98Å; T108-H112 VanDerWaalsContact O-CD2 3.25Å; T108-H112 PolarHBondContact O-N 3.41Å |
| 109 | L | 96 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 176.7 | -67.6 | 178.1 | 0 | 0 | 0 | 111.8 | L19 L81 F87 V89 Y105 L106 Q107 H112 K113 F116 I122 | L19-L109 HydrophobicContact CD1-CD1 4.14Å; L19-L109 HydrophobicContact CD1-CD2 4.17Å; L19-L109 HydrophobicContact CD1-CG 4.37Å; L81-L109 HydrophobicContact CD2-CD2 3.59Å; F87-L109 HydrophobicContact CB-CD1 4.01Å; F87-L109 HydrophobicContact CD1-CD1 4.44Å; F87-L109 HydrophobicContact CD1-CD2 4.01Å; F87-L109 HydrophobicContact CD2-CD1 4.14Å; F87-L109 HydrophobicContact CD2-CD2 3.95Å; F87-L109 HydrophobicContact CE1-CD2 3.89Å; F87-L109 HydrophobicContact CE2-CD2 3.81Å; F87-L109 HydrophobicContact CG-CD1 3.94Å; F87-L109 HydrophobicContact CG-CD2 4.05Å; F87-L109 HydrophobicContact CZ-CD2 3.78Å; V89-L109 HydrophobicContact CG2-CD1 3.92Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 2.79Å; Q107-L109 PolarHBondContact O-N 3.35Å; L109-H112 CarbonylContact O-C 3.57Å; L109-H112 PolarHBondContact O-N 3.23Å; L109-K113 PolarHBondContact O-N 2.9Å; L109-K113 VanDerWaalsContact O-N 3.11Å; L109-F116 HydrophobicContact CB-CZ 4.34Å; L109-F116 HydrophobicContact CD2-CE1 4.13Å; L109-F116 HydrophobicContact CD2-CZ 4.34Å; L109-F116 WeakPolarHBondContact O-CZ 3.39Å; L109-I122 HydrophobicContact CB-CD1 4.03Å; L109-I122 HydrophobicContact CD1-CD1 3.84Å; L109-I122 HydrophobicContact CD1-CG1 4.17Å; L109-I122 HydrophobicContact CD1-CG2 4.2Å |
| 110 | S | 94.4 | Very high | 91.5 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | L106 Q107 T108 H112 | L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.87Å; Q107-S110 WeakPolarHBondContact O-CB 3.48Å; Q107-S110 PolarHBondContact O-N 2.84Å; T108-S110 VanDerWaalsContact C-N 3.28Å; T108-S110 PolarHBondContact O-N 3.05Å; S110-H112 VanDerWaalsContact C-N 3.35Å |
| 111 | I | 93.8 | Very high | 91.4 | Very high | 130 Ų | 130 | 54.6 Ų | 54.6 | 67% | 0.667 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 177.8 | -69.3 | 164.9 | 0 | 0 | 0 | 110.3 | Q107 T108 | Q107-I111 WeakPolarHBondContact O-CG1 3.26Å; Q107-I111 PolarHBondContact O-N 2.81Å; T108-I111 PolarHBondContact O-N 2.76Å |
| 112 | H | 90.8 | Very high | 91.4 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 29% | 0.292 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 22.9 | -176.4 | -68 | -86.1 | 0 | 0 | 0 | 114 | L81 T108 L109 S110 N114 T115 F116 | L81-H112 HydrophobicContact CD1-CB 3.61Å; L81-H112 HydrophobicContact CD2-CB 4.21Å; T108-H112 WeakPolarHBondContact O-CB 3.31Å; T108-H112 PolarHBondContact O-CD2 2.98Å; T108-H112 VanDerWaalsContact O-CD2 3.25Å; T108-H112 PolarHBondContact O-N 3.41Å; L109-H112 CarbonylContact O-C 3.57Å; L109-H112 PolarHBondContact O-N 3.23Å; S110-H112 VanDerWaalsContact C-N 3.35Å; H112-N114 PolarHBondContact O-N 2.89Å; H112-T115 WeakPolarHBondContact O-CB 3.38Å; H112-T115 PolarHBondContact O-N 2.8Å; H112-T115 PolarHBondContact O-OG1 2.82Å; H112-F116 WeakPolarHBondContact O-CD1 3.49Å; H112-F116 VanDerWaalsContact O-CE1 3.27Å; H112-F116 WeakPolarHBondContact O-CE1 3.43Å |
| 113 | K | 87.8 | Confident | 91.5 | Very high | 98 Ų | 98 | 55.4 Ų | 55.4 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.5 | -176.5 | -163.6 | 173.8 | -177.2 | 173.3 | 0 | 114.1 | L109 F116 S118 | L109-K113 PolarHBondContact O-N 2.9Å; L109-K113 VanDerWaalsContact O-N 3.11Å; K113-F116 HydrophobicContact CG-CE2 4.46Å; K113-F116 HydrophobicContact CG-CZ 4.48Å; K113-S118 WeakPolarHBondContact CE-O 3.46Å |
| 114 | N | 84.2 | Confident | 91.5 | Very high | 163 Ų | 163 | 53.5 Ų | 53.5 | 87% | 0.872 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.7 | 175.9 | -63.4 | -33.5 | 0 | 0 | 0 | 114 | H112 | H112-N114 PolarHBondContact O-N 2.89Š|
| 115 | T | 82.2 | Confident | 91.5 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -85.3 | -15.2 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | L81 H112 | L81-T115 HydrophobicContact CB-CG2 3.83Å; L81-T115 HydrophobicContact CD1-CG2 4.21Å; H112-T115 WeakPolarHBondContact O-CB 3.38Å; H112-T115 PolarHBondContact O-N 2.8Å; H112-T115 PolarHBondContact O-OG1 2.82Å |
| 116 | F | 84.7 | Confident | 91.6 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -132.5 | 170.9 | 174.6 | 54.1 | -91.9 | 0 | 0 | 0 | 109.5 | L81 F87 L109 H112 K113 S118 T120 | L81-F116 HydrophobicContact CB-CD1 4.4Å; L81-F116 HydrophobicContact CD2-CD1 3.71Å; L81-F116 HydrophobicContact CD2-CE1 3.66Å; L81-F116 WeakPolarHBondContact O-CB 3.5Å; F87-F116 HydrophobicContact CE2-CD1 4.15Å; F87-F116 HydrophobicContact CE2-CD2 4.03Å; F87-F116 HydrophobicContact CE2-CE1 4.16Å; F87-F116 HydrophobicContact CE2-CE2 4.02Å; F87-F116 HydrophobicContact CE2-CG 4.09Å; F87-F116 HydrophobicContact CE2-CZ 4.08Å; F87-F116 HydrophobicContact CZ-CD1 4.3Å; F87-F116 HydrophobicContact CZ-CG 4.46Å; L109-F116 HydrophobicContact CB-CZ 4.34Å; L109-F116 HydrophobicContact CD2-CE1 4.13Å; L109-F116 HydrophobicContact CD2-CZ 4.34Å; L109-F116 WeakPolarHBondContact O-CZ 3.39Å; H112-F116 WeakPolarHBondContact O-CD1 3.49Å; H112-F116 VanDerWaalsContact O-CE1 3.27Å; H112-F116 WeakPolarHBondContact O-CE1 3.43Å; K113-F116 HydrophobicContact CG-CE2 4.46Å; K113-F116 HydrophobicContact CG-CZ 4.48Å; F116-S118 PolarHBondContact O-N 3.23Å; F116-T120 VanDerWaalsContact CD2-CB 3.48Å; F116-T120 HydrophobicContact CD2-CG2 4.05Å; F116-T120 WeakPolarHBondContact CD2-OG1 3.24Å; F116-T120 HydrophobicContact CE2-CG2 4.47Å |
| 117 | S | 80.6 | Confident | 91.6 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | trans | -57.4 | 129.2 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | Q119 T120 | S117-Q119 PolarHBondContact O-N 2.68Å; S117-T120 WeakPolarHBondContact CB-OG1 2.93Å; S117-T120 PolarHBondContact N-OG1 2.57Å; S117-T120 WeakPolarHBondContact O-CB 3.36Å; S117-T120 PolarHBondContact O-N 3.32Å; S117-T120 PolarHBondContact O-OG1 2.91Å | ||
| 118 | S | 73.5 | Confident | 91.7 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -17.2 | -179 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | K113 F116 | K113-S118 WeakPolarHBondContact CE-O 3.46Å; F116-S118 PolarHBondContact O-N 3.23Å |
| 119 | Q | 82.1 | Confident | 91.8 | Very high | 117 Ų | 117 | 49.4 Ų | 49.4 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.3 | 177.7 | -59.8 | -64.2 | -22 | 0 | 0 | 113.2 | S117 P121 S179 | S117-Q119 PolarHBondContact O-N 2.68Å; Q119-P121 VanDerWaalsContact O-CD 3.31Å; Q119-P121 WeakPolarHBondContact O-CD 3.39Å; Q119-S179 VanDerWaalsContact CB-CB 3.48Å; Q119-S179 WeakPolarHBondContact CB-OG 3.21Å; Q119-S179 VanDerWaalsContact O-CB 3.31Å; Q119-S179 WeakPolarHBondContact O-CB 3.37Å; Q119-S179 PolarHBondContact O-OG 3.28Å |
| 120 | T | 92.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | trans | -65.6 | 116.2 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 108.7 | N85 F87 F116 S117 | N85-T120 WeakPolarHBondContact O-CG2 3.45Å; F87-T120 HydrophobicContact CD2-CG2 3.81Å; F87-T120 HydrophobicContact CE2-CG2 3.68Å; F116-T120 VanDerWaalsContact CD2-CB 3.48Å; F116-T120 HydrophobicContact CD2-CG2 4.05Å; F116-T120 WeakPolarHBondContact CD2-OG1 3.24Å; F116-T120 HydrophobicContact CE2-CG2 4.47Å; S117-T120 WeakPolarHBondContact CB-OG1 2.93Å; S117-T120 PolarHBondContact N-OG1 2.57Å; S117-T120 WeakPolarHBondContact O-CB 3.36Å; S117-T120 PolarHBondContact O-N 3.32Å; S117-T120 PolarHBondContact O-OG1 2.91Å | ||
| 121 | P | 96.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -68.3 | 142.2 | -177 | 29.5 | -37.4 | 0 | 0 | 0 | 111.3 | N85 A86 F87 Q119 R175 A176 | N85-P121 WeakPolarHBondContact O-CD 3.43Å; A86-P121 WeakPolarHBondContact CA-O 3.32Å; A86-P121 HydrophobicContact CB-CG 3.65Å; F87-P121 PolarHBondContact N-O 3.13Å; Q119-P121 VanDerWaalsContact O-CD 3.31Å; Q119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-R175 HydrophobicContact CB-CB 3.56Å; P121-R175 HydrophobicContact CB-CG 4.43Å; P121-R175 HydrophobicContact CG-CB 3.63Å; P121-A176 HydrophobicContact CG-CB 4.28Å | ||
| 122 | I | 98.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.5 | 171.2 | -57.3 | 172.1 | 0 | 0 | 0 | 106.9 | F87 V89 L106 L109 C151 S152 | F87-I122 HydrophobicContact CB-CG1 4.39Å; F87-I122 HydrophobicContact CD2-CG1 4.19Å; V89-I122 HydrophobicContact CG2-CG2 3.94Å; L106-I122 HydrophobicContact CD2-CG2 3.66Å; L109-I122 HydrophobicContact CB-CD1 4.03Å; L109-I122 HydrophobicContact CD1-CD1 3.84Å; L109-I122 HydrophobicContact CD1-CG1 4.17Å; L109-I122 HydrophobicContact CD1-CG2 4.2Å; I122-C151 HydrophobicContact CB-CB 3.8Å; I122-C151 HydrophobicContact CG2-CB 3.82Å; I122-C151 VanDerWaalsContact O-CB 3.31Å; I122-C151 WeakPolarHBondContact O-CB 3.3Å; I122-S152 PolarHBondContact O-N 3.01Å; I122-S152 VanDerWaalsContact O-N 3.13Å |
| 123 | I | 98.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.7 | 173.8 | -52.5 | -175.4 | 0 | 0 | 0 | 108.2 | F87 L88 V89 V125 S152 F154 E171 A172 | F87-I123 PolarHBondContact O-N 3.16Å; L88-I123 CarbonylContact C-O 3.55Å; L88-I123 WeakPolarHBondContact CA-O 3.39Å; L88-I123 HydrophobicContact CD2-CB 3.81Å; L88-I123 HydrophobicContact CD2-CD1 4.07Å; L88-I123 HydrophobicContact CD2-CG1 4.27Å; L88-I123 HydrophobicContact CD2-CG2 4.36Å; V89-I123 PolarHBondContact N-O 3.07Å; I123-V125 HydrophobicContact CG2-CG2 4.05Å; I123-S152 CarbonylContact C-O 3.58Å; I123-S152 WeakPolarHBondContact CA-O 3.1Å; I123-F154 HydrophobicContact CG2-CD2 3.51Å; I123-F154 HydrophobicContact CG2-CE2 3.87Å; I123-E171 HydrophobicContact CD1-CB 4.36Å; I123-E171 HydrophobicContact CD1-CG 4.08Å; I123-A172 HydrophobicContact CD1-CB 3.89Å |
| 124 | L | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.6 | 168.6 | -179 | 63.3 | 0 | 0 | 0 | 109.6 | V89 Y91 C102 L106 G142 V145 A146 S152 F153 F154 | V89-L124 CarbonylContact O-C 3.59Å; V89-L124 WeakPolarHBondContact O-CA 3.34Å; V89-L124 WeakPolarHBondContact O-CD1 3.42Å; Y91-L124 HydrophobicContact CD1-CD1 3.73Å; Y91-L124 HydrophobicContact CD1-CG 4.29Å; Y91-L124 HydrophobicContact CE1-CD1 3.9Å; Y91-L124 HydrophobicContact CE1-CD2 4.24Å; Y91-L124 HydrophobicContact CE1-CG 3.94Å; C102-L124 HydrophobicContact CB-CD1 4.34Å; L106-L124 HydrophobicContact CD1-CD1 4.3Å; L124-G142 WeakPolarHBondContact CD2-O 3.42Å; L124-V145 HydrophobicContact CD2-CB 4.18Å; L124-V145 HydrophobicContact CD2-CG1 3.91Å; L124-A146 HydrophobicContact CD2-CB 4.17Å; L124-S152 PolarHBondContact N-O 3.35Å; L124-F153 HydrophobicContact CB-CD2 4.09Å; L124-F153 HydrophobicContact CD2-CD2 3.89Å; L124-F153 HydrophobicContact CD2-CE2 4.31Å; L124-F153 HydrophobicContact CG-CD2 3.85Å; L124-F153 HydrophobicContact CG-CE2 4.29Å; L124-F153 WeakPolarHBondContact O-CA 3.43Å; L124-F154 PolarHBondContact O-N 3.04Å |
| 125 | V | 98.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 111.9 | -175.6 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | L29 L88 V89 V90 Y91 I123 N127 F154 V156 I168 | L29-V125 HydrophobicContact CD1-CG1 4.25Å; L88-V125 HydrophobicContact CD2-CG2 4.44Å; V89-V125 PolarHBondContact O-N 3Å; V90-V125 WeakPolarHBondContact CA-O 3.37Å; V90-V125 HydrophobicContact CG2-CB 4.3Å; Y91-V125 WeakPolarHBondContact CD1-O 3.47Å; Y91-V125 PolarHBondContact N-O 3.04Å; I123-V125 HydrophobicContact CG2-CG2 4.05Å; V125-N127 PolarHBondContact O-N 3.49Å; V125-F154 CarbonylContact C-O 3.59Å; V125-F154 WeakPolarHBondContact CA-O 3.41Å; V125-V156 HydrophobicContact CG1-CG2 3.53Å; V125-I168 HydrophobicContact CG1-CD1 4.04Å; V125-I168 HydrophobicContact CG2-CD1 4.25Å |
| 126 | G | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 96.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y91 F154 E155 V156 | Y91-G126 VanDerWaalsContact CE1-CA 3.5Å; Y91-G126 VanDerWaalsContact CZ-CA 3.49Å; G126-F154 PolarHBondContact N-O 3.43Å; G126-E155 CarbonylContact O-C 3.5Å; G126-E155 WeakPolarHBondContact O-CA 3.32Å; G126-V156 PolarHBondContact O-N 2.93Å |
| 127 | N | 98.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 169 | -178.3 | -169.8 | 28.8 | 0 | 0 | 0 | 112.3 | C24 L29 V90 Y91 S92 I93 V125 V156 A158 | C24-N127 PolarHBondContact O-ND2 2.97Å; L29-N127 HydrophobicContact CD1-CB 4.33Å; V90-N127 HydrophobicContact CG1-CB 3.81Å; Y91-N127 VanDerWaalsContact O-CB 3.3Å; Y91-N127 WeakPolarHBondContact O-CB 3.5Å; Y91-N127 PolarHBondContact O-N 3.39Å; S92-N127 WeakPolarHBondContact CA-O 3.19Å; I93-N127 PolarHBondContact N-O 2.75Å; V125-N127 PolarHBondContact O-N 3.49Å; N127-V156 CarbonylContact C-O 3.46Å; N127-V156 VanDerWaalsContact CA-O 3.31Å; N127-V156 WeakPolarHBondContact CA-O 2.86Å; N127-V156 PolarHBondContact OD1-O 3.38Å; N127-A158 PolarHBondContact OD1-N 2.85Å |
| 128 | K | 98.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 27% | 0.265 | 27% | 0.268 | S | S | . | . | trans | 64.9 | 40 | -179.5 | -45.3 | -165.7 | -157 | 168.2 | 0 | 113 | G23 S92 I93 D130 M131 V156 | G23-K128 WeakPolarHBondContact O-CE 3.4Å; G23-K128 PolarHBondContact O-NZ 3.04Å; S92-K128 WeakPolarHBondContact OG-CD 3.28Å; S92-K128 WeakPolarHBondContact OG-CE 3.38Å; S92-K128 WeakPolarHBondContact OG-CG 3.37Å; S92-K128 PolarHBondContact OG-NZ 3.31Å; I93-K128 WeakPolarHBondContact CD1-O 3.3Å; I93-K128 WeakPolarHBondContact CG1-O 3.37Å; K128-D130 VanDerWaalsContact C-OD1 3.29Å; K128-D130 VanDerWaalsContact CA-OD1 3.26Å; K128-D130 WeakPolarHBondContact CA-OD1 3.23Å; K128-D130 PolarHBondContact O-N 3.2Å; K128-M131 HydrophobicContact CB-CB 4.42Å; K128-M131 HydrophobicContact CB-CG 4.26Å; K128-M131 WeakPolarHBondContact O-CB 3.04Å; K128-M131 PolarHBondContact O-N 3.24Å; K128-V156 PolarHBondContact N-O 3.44Å | ||
| 129 | L | 98.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -55.4 | -22.8 | 175.1 | -172.4 | 56.4 | 0 | 0 | 0 | 113.3 | I93 M131 D132 E155 V156 W160 | I93-L129 HydrophobicContact CD1-CD1 4.15Å; L129-M131 PolarHBondContact O-N 3.05Å; L129-D132 PolarHBondContact O-N 3.03Å; L129-E155 HydrophobicContact CD1-CB 4.21Å; L129-E155 WeakPolarHBondContact CD1-OE2 3.16Å; L129-E155 HydrophobicContact CD2-CB 4.12Å; L129-V156 WeakPolarHBondContact CB-O 3.39Å; L129-V156 PolarHBondContact N-O 3.45Å; L129-W160 HydrophobicContact CB-CH2 4.32Å; L129-W160 HydrophobicContact CB-CZ3 3.98Å; L129-W160 HydrophobicContact CD2-CH2 4.39Å; L129-W160 HydrophobicContact CD2-CZ3 3.68Å; L129-W160 HydrophobicContact CG-CH2 3.89Å; L129-W160 HydrophobicContact CG-CZ3 3.61Å |
| 130 | D | 98.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.1 | -19.5 | 170.5 | 59.7 | -68.9 | 0 | 0 | 0 | 114.7 | K128 S157 C159 W160 | K128-D130 VanDerWaalsContact C-OD1 3.29Å; K128-D130 VanDerWaalsContact CA-OD1 3.26Å; K128-D130 WeakPolarHBondContact CA-OD1 3.23Å; K128-D130 PolarHBondContact O-N 3.2Å; D130-S157 VanDerWaalsContact CG-OG 3.29Å; D130-S157 VanDerWaalsContact OD1-CB 3.29Å; D130-S157 WeakPolarHBondContact OD1-CB 3.33Å; D130-S157 PolarHBondContact OD1-OG 2.85Å; D130-C159 PolarHBondContact OD2-SG 2.91Å; D130-C159 VanDerWaalsContact OD2-SG 3.32Å; D130-W160 HydrophobicContact CB-CD2 4.35Å; D130-W160 HydrophobicContact CB-CZ2 3.84Å; D130-W160 VanDerWaalsContact CB-NE1 3.32Å |
| 131 | M | 97.9 | Very high | 98.4 | Very high | 70 Ų | 70 | 59 Ų | 59 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -97.6 | 25.4 | -179.8 | -63.6 | -73.3 | 174.7 | 0 | 0 | 112.8 | N94 K128 L129 R133 Y134 R135 | N94-M131 HydrophobicContact CB-CB 4.15Å; K128-M131 HydrophobicContact CB-CB 4.42Å; K128-M131 HydrophobicContact CB-CG 4.26Å; K128-M131 WeakPolarHBondContact O-CB 3.04Å; K128-M131 PolarHBondContact O-N 3.24Å; L129-M131 PolarHBondContact O-N 3.05Å; M131-R133 PolarHBondContact O-N 3.11Å; M131-R133 VanDerWaalsContact O-N 3.12Å; M131-Y134 CarbonylContact O-C 3.57Å; M131-Y134 WeakPolarHBondContact O-CA 3.11Å; M131-Y134 PolarHBondContact O-N 3.09Å; M131-Y134 HydrophobicContact SD-CD2 4Å; M131-Y134 HydrophobicContact SD-CE2 4.34Å; M131-R135 PolarHBondContact O-N 2.91Å |
| 132 | D | 97.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 58.3 Ų | 58.3 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -54.7 | -33.2 | -176.3 | -167.6 | 65.3 | 0 | 0 | 0 | 113.7 | I93 L129 Y134 R135 | I93-D132 HydrophobicContact CD1-CB 4.46Å; L129-D132 PolarHBondContact O-N 3.03Å; D132-Y134 PolarHBondContact O-N 3.41Å; D132-Y134 VanDerWaalsContact O-N 3.13Å; D132-R135 WeakPolarHBondContact O-CB 3.47Å; D132-R135 PolarHBondContact O-N 2.84Å; D132-R135 IonicContact OD1-CZ 3.34Å; D132-R135 VanDerWaalsContact OD1-CZ 3.24Å; D132-R135 IonicContact OD1-NE 3.89Å; D132-R135 PolarHBondContact OD1-NE 3.35Å; D132-R135 IonicContact OD1-NH2 2.75Å; D132-R135 PolarHBondContact OD1-NH2 2.87Å |
| 133 | R | 98.3 | Very high | 98.6 | Very high | 242 Ų | 242 | 61 Ų | 61 | 91% | 0.913 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -60.8 | -22.3 | 173.9 | -65.2 | -174.9 | -179.1 | -170.5 | 0.2 | 114.1 | M131 | M131-R133 PolarHBondContact O-N 3.11Å; M131-R133 VanDerWaalsContact O-N 3.12Å |
| 134 | Y | 98.3 | Very high | 98.6 | Very high | 161 Ų | 161 | 63.7 Ų | 63.7 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -110.6 | 17.5 | 179.4 | -54.1 | -74.6 | 0 | 0 | 0 | 111.9 | N94 M131 D132 Q136 | N94-Y134 WeakPolarHBondContact CA-O 3.41Å; N94-Y134 VanDerWaalsContact CB-O 3.27Å; N94-Y134 WeakPolarHBondContact CB-O 3.46Å; M131-Y134 CarbonylContact O-C 3.57Å; M131-Y134 WeakPolarHBondContact O-CA 3.11Å; M131-Y134 PolarHBondContact O-N 3.09Å; M131-Y134 HydrophobicContact SD-CD2 4Å; M131-Y134 HydrophobicContact SD-CE2 4.34Å; D132-Y134 PolarHBondContact O-N 3.41Å; D132-Y134 VanDerWaalsContact O-N 3.13Å; Y134-Q136 PolarHBondContact O-N 2.82Å |
| 135 | R | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | trans | -56.5 | 131.4 | -177.8 | 179.8 | 178.4 | -72.8 | -91.2 | 9.4 | 111.1 | M131 D132 V137 E155 | M131-R135 PolarHBondContact O-N 2.91Å; D132-R135 WeakPolarHBondContact O-CB 3.47Å; D132-R135 PolarHBondContact O-N 2.84Å; D132-R135 IonicContact OD1-CZ 3.34Å; D132-R135 VanDerWaalsContact OD1-CZ 3.24Å; D132-R135 IonicContact OD1-NE 3.89Å; D132-R135 PolarHBondContact OD1-NE 3.35Å; D132-R135 IonicContact OD1-NH2 2.75Å; D132-R135 PolarHBondContact OD1-NH2 2.87Å; R135-V137 VanDerWaalsContact CD-O 3.23Å; R135-V137 WeakPolarHBondContact CD-O 3.44Å; R135-V137 WeakPolarHBondContact CG-O 3.33Å; R135-V137 PolarHBondContact NH1-O 2.63Å; R135-E155 IonicContact CZ-OE1 3.82Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 2.95Å; R135-E155 PolarHBondContact NH1-OE1 3.25Å; R135-E155 IonicContact NH1-OE2 3.48Å; R135-E155 PolarHBondContact NH1-OE2 2.92Å; R135-E155 IonicContact NH2-OE1 3.81Å; R135-E155 IonicContact NH2-OE2 3.94Å; R135-E155 PolarHBondContact NH2-OE2 3.4Å | ||
| 136 | Q | 98.8 | Very high | 98.5 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | trans | -112.9 | -17.6 | 173.5 | -63.1 | -175.1 | 3.7 | 0 | 0 | 112.1 | I93 N94 M96 Y134 | I93-Q136 PolarHBondContact O-N 2.99Å; N94-Q136 PolarHBondContact O-NE2 2.75Å; M96-Q136 HydrophobicContact CB-CB 4.37Å; M96-Q136 WeakPolarHBondContact CE-O 3.45Å; Y134-Q136 PolarHBondContact O-N 2.82Å | ||
| 137 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -124.2 | 120.2 | -177.8 | -177.4 | 0 | 0 | 0 | 0 | 108 | Y91 I93 M96 F99 R135 D141 | Y91-V137 HydrophobicContact CE2-CB 4.08Å; Y91-V137 HydrophobicContact CE2-CG1 3.79Å; Y91-V137 HydrophobicContact CE2-CG2 4.48Å; I93-V137 PolarHBondContact O-N 2.8Å; M96-V137 HydrophobicContact CE-CG2 4.1Å; M96-V137 HydrophobicContact SD-CG2 4.41Å; F99-V137 HydrophobicContact CB-CG1 4.42Å; F99-V137 HydrophobicContact CB-CG2 3.63Å; F99-V137 HydrophobicContact CD1-CG1 3.86Å; F99-V137 HydrophobicContact CD1-CG2 4.07Å; F99-V137 HydrophobicContact CD2-CG1 3.72Å; F99-V137 HydrophobicContact CD2-CG2 4.47Å; F99-V137 HydrophobicContact CE1-CG1 3.93Å; F99-V137 HydrophobicContact CE2-CG1 3.79Å; F99-V137 HydrophobicContact CG-CB 4.45Å; F99-V137 HydrophobicContact CG-CG1 3.74Å; F99-V137 HydrophobicContact CG-CG2 3.83Å; F99-V137 HydrophobicContact CZ-CG1 3.87Å; R135-V137 VanDerWaalsContact CD-O 3.23Å; R135-V137 WeakPolarHBondContact CD-O 3.44Å; R135-V137 WeakPolarHBondContact CG-O 3.33Å; R135-V137 PolarHBondContact NH1-O 2.63Å; V137-D141 HydrophobicContact CG1-CB 3.91Å |
| 138 | S | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 78 Ų | 78 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | trans | -71.7 | 156.8 | 179.3 | 74.2 | 0 | 0 | 0 | 0 | 111.1 | S140 D141 G142 | S138-S140 PolarHBondContact O-N 3.07Å; S138-D141 WeakPolarHBondContact CB-OD2 3.33Å; S138-D141 PolarHBondContact N-OD2 2.93Å; S138-D141 PolarHBondContact O-N 3.14Å; S138-D141 VanDerWaalsContact O-N 3.14Å; S138-D141 PolarHBondContact OG-N 3.33Å; S138-D141 VanDerWaalsContact OG-N 3.07Å; S138-D141 PolarHBondContact OG-OD2 3.03Å; S138-G142 PolarHBondContact O-N 3.11Å | ||
| 139 | Q | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.2 | -39.1 | 171.7 | -173 | -174.6 | -17.2 | 0 | 0 | 110.9 | D141 G142 E143 F153 | Q139-D141 VanDerWaalsContact C-N 3.31Å; Q139-D141 PolarHBondContact O-N 3.16Å; Q139-G142 PolarHBondContact O-N 3.03Å; Q139-G142 VanDerWaalsContact O-N 3.16Å; Q139-E143 PolarHBondContact NE2-OE1 3.37Å; Q139-E143 WeakPolarHBondContact O-CG 3.5Å; Q139-E143 PolarHBondContact O-N 3.4Å; Q139-F153 HydrophobicContact CG-CE1 3.93Å |
| 140 | S | 98.8 | Very high | 98.3 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 113 | S138 A144 | S138-S140 PolarHBondContact O-N 3.07Å; S140-A144 VanDerWaalsContact O-CB 3.28Å; S140-A144 WeakPolarHBondContact O-CB 3.4Å; S140-A144 PolarHBondContact O-N 3.47Å |
| 141 | D | 98.7 | Very high | 98.2 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 175.4 | -62.7 | -49 | 0 | 0 | 0 | 110.7 | F99 V137 S138 Q139 A144 V145 | F99-D141 HydrophobicContact CE1-CB 4.12Å; F99-D141 HydrophobicContact CZ-CB 3.91Å; V137-D141 HydrophobicContact CG1-CB 3.91Å; S138-D141 WeakPolarHBondContact CB-OD2 3.33Å; S138-D141 PolarHBondContact N-OD2 2.93Å; S138-D141 PolarHBondContact O-N 3.14Å; S138-D141 VanDerWaalsContact O-N 3.14Å; S138-D141 PolarHBondContact OG-N 3.33Å; S138-D141 VanDerWaalsContact OG-N 3.07Å; S138-D141 PolarHBondContact OG-OD2 3.03Å; Q139-D141 VanDerWaalsContact C-N 3.31Å; Q139-D141 PolarHBondContact O-N 3.16Å; D141-A144 PolarHBondContact O-N 3.38Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.32Å |
| 142 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 S138 Q139 A144 V145 A146 | L124-G142 WeakPolarHBondContact CD2-O 3.42Å; S138-G142 PolarHBondContact O-N 3.11Å; Q139-G142 PolarHBondContact O-N 3.03Å; Q139-G142 VanDerWaalsContact O-N 3.16Å; G142-A144 PolarHBondContact O-N 2.89Å; G142-V145 PolarHBondContact O-N 3Å; G142-A146 WeakPolarHBondContact O-CB 3.06Å; G142-A146 PolarHBondContact O-N 2.65Å |
| 143 | E | 98.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 75.8 Ų | 75.8 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.9 | -72.3 | 172.3 | -173.2 | 0 | 0 | 112.4 | Q139 A146 T147 F153 | Q139-E143 PolarHBondContact NE2-OE1 3.37Å; Q139-E143 WeakPolarHBondContact O-CG 3.5Å; Q139-E143 PolarHBondContact O-N 3.4Å; E143-A146 PolarHBondContact O-N 2.92Å; E143-T147 WeakPolarHBondContact O-CB 3.36Å; E143-T147 PolarHBondContact O-N 3.34Å; E143-T147 PolarHBondContact O-OG1 3.35Å; E143-F153 HydrophobicContact CB-CD1 4.47Å; E143-F153 HydrophobicContact CG-CD1 3.53Å; E143-F153 HydrophobicContact CG-CE1 3.81Å |
| 144 | A | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 66.7 Ų | 66.7 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S140 D141 G142 R148 | S140-A144 VanDerWaalsContact O-CB 3.28Å; S140-A144 WeakPolarHBondContact O-CB 3.4Å; S140-A144 PolarHBondContact O-N 3.47Å; D141-A144 PolarHBondContact O-N 3.38Å; G142-A144 PolarHBondContact O-N 2.89Å; A144-R148 WeakPolarHBondContact O-CB 3.46Å; A144-R148 PolarHBondContact O-N 3.43Å |
| 145 | V | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | F99 Q103 L106 L124 D141 G142 T147 R148 F149 | F99-V145 HydrophobicContact CE1-CG2 4.22Å; F99-V145 HydrophobicContact CE2-CB 4.43Å; F99-V145 HydrophobicContact CE2-CG2 4.08Å; F99-V145 HydrophobicContact CZ-CB 4.23Å; F99-V145 HydrophobicContact CZ-CG2 3.46Å; F99-V145 VanDerWaalsContact CZ-CG2 3.46Å; Q103-V145 HydrophobicContact CG-CG1 4Å; Q103-V145 HydrophobicContact CG-CG2 4.12Å; L106-V145 HydrophobicContact CD1-CG1 3.53Å; L124-V145 HydrophobicContact CD2-CB 4.18Å; L124-V145 HydrophobicContact CD2-CG1 3.91Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.32Å; G142-V145 PolarHBondContact O-N 3Å; V145-T147 VanDerWaalsContact C-N 3.33Å; V145-T147 PolarHBondContact O-N 3.49Å; V145-R148 WeakPolarHBondContact O-CB 3.46Å; V145-R148 PolarHBondContact O-N 2.76Å; V145-R148 VanDerWaalsContact O-N 3.17Å; V145-F149 HydrophobicContact CG1-CD2 3.85Å; V145-F149 HydrophobicContact CG1-CE2 4.11Å; V145-F149 WeakPolarHBondContact O-CD2 3.36Å; V145-F149 PolarHBondContact O-N 2.99Å |
| 146 | A | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L124 G142 E143 R148 F149 D150 C151 F153 | L124-A146 HydrophobicContact CD2-CB 4.17Å; G142-A146 WeakPolarHBondContact O-CB 3.06Å; G142-A146 PolarHBondContact O-N 2.65Å; E143-A146 PolarHBondContact O-N 2.92Å; A146-R148 PolarHBondContact O-N 2.88Å; A146-F149 PolarHBondContact O-N 2.74Å; A146-D150 PolarHBondContact O-N 3.28Å; A146-C151 VanDerWaalsContact CA-SG 3.56Å; A146-C151 PolarHBondContact O-N 2.88Å; A146-F153 HydrophobicContact CB-CB 3.65Å; A146-F153 HydrophobicContact CB-CG 4.36Å |
| 147 | T | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 52.5 Ų | 52.5 | 72% | 0.718 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 173.5 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | E143 V145 F149 D150 | E143-T147 WeakPolarHBondContact O-CB 3.36Å; E143-T147 PolarHBondContact O-N 3.34Å; E143-T147 PolarHBondContact O-OG1 3.35Å; V145-T147 VanDerWaalsContact C-N 3.33Å; V145-T147 PolarHBondContact O-N 3.49Å; T147-F149 VanDerWaalsContact C-N 3.3Å; T147-F149 PolarHBondContact O-N 3.17Å; T147-D150 PolarHBondContact O-N 3.33Å |
| 148 | R | 98.1 | Very high | 98.3 | Very high | 170 Ų | 170 | 52.7 Ų | 52.7 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.2 | -36.4 | -179.9 | 177.4 | -178.4 | 175.3 | -174.6 | 0.1 | 113 | A144 V145 A146 | A144-R148 WeakPolarHBondContact O-CB 3.46Å; A144-R148 PolarHBondContact O-N 3.43Å; V145-R148 WeakPolarHBondContact O-CB 3.46Å; V145-R148 PolarHBondContact O-N 2.76Å; V145-R148 VanDerWaalsContact O-N 3.17Å; A146-R148 PolarHBondContact O-N 2.88Å |
| 149 | F | 96.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8 | -177.7 | -71.5 | -80.7 | 0 | 0 | 0 | 113.8 | L106 Q107 V145 A146 T147 C151 | L106-F149 HydrophobicContact CB-CB 4.41Å; L106-F149 HydrophobicContact CB-CD1 3.72Å; L106-F149 HydrophobicContact CB-CD2 3.89Å; L106-F149 HydrophobicContact CB-CE1 3.85Å; L106-F149 HydrophobicContact CB-CE2 4.02Å; L106-F149 HydrophobicContact CB-CG 3.75Å; L106-F149 HydrophobicContact CB-CZ 4Å; L106-F149 HydrophobicContact CD1-CB 4.35Å; L106-F149 HydrophobicContact CD1-CD2 3.68Å; L106-F149 HydrophobicContact CD1-CE2 4.17Å; L106-F149 HydrophobicContact CD1-CG 4.07Å; L106-F149 HydrophobicContact CD2-CB 4.4Å; L106-F149 HydrophobicContact CG-CD2 4.37Å; L106-F149 HydrophobicContact CG-CG 4.36Å; Q107-F149 HydrophobicContact CG-CE1 3.9Å; Q107-F149 HydrophobicContact CG-CZ 3.71Å; V145-F149 HydrophobicContact CG1-CD2 3.85Å; V145-F149 HydrophobicContact CG1-CE2 4.11Å; V145-F149 WeakPolarHBondContact O-CD2 3.36Å; V145-F149 PolarHBondContact O-N 2.99Å; A146-F149 PolarHBondContact O-N 2.74Å; T147-F149 VanDerWaalsContact C-N 3.3Å; T147-F149 PolarHBondContact O-N 3.17Å; F149-C151 VanDerWaalsContact C-N 3.34Å; F149-C151 PolarHBondContact O-N 3.06Å |
| 150 | D | 95.9 | Very high | 98.1 | Very high | 145 Ų | 145 | 54 Ų | 54 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 49.9 | -178.9 | -170 | 35.1 | 0 | 0 | 0 | 112.4 | A146 T147 | A146-D150 PolarHBondContact O-N 3.28Å; T147-D150 PolarHBondContact O-N 3.33Å |
| 151 | C | 97 | Very high | 97.9 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | trans | -126 | 159.1 | -179.5 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | I122 A146 F149 | I122-C151 HydrophobicContact CB-CB 3.8Å; I122-C151 HydrophobicContact CG2-CB 3.82Å; I122-C151 VanDerWaalsContact O-CB 3.31Å; I122-C151 WeakPolarHBondContact O-CB 3.3Å; A146-C151 VanDerWaalsContact CA-SG 3.56Å; A146-C151 PolarHBondContact O-N 2.88Å; F149-C151 VanDerWaalsContact C-N 3.34Å; F149-C151 PolarHBondContact O-N 3.06Å | ||
| 152 | S | 98.2 | Very high | 97.8 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 152.5 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | I122 I123 L124 R175 | I122-S152 PolarHBondContact O-N 3.01Å; I122-S152 VanDerWaalsContact O-N 3.13Å; I123-S152 CarbonylContact C-O 3.58Å; I123-S152 WeakPolarHBondContact CA-O 3.1Å; L124-S152 PolarHBondContact N-O 3.35Å; S152-R175 PolarHBondContact OG-NE 3.13Å; S152-R175 PolarHBondContact OG-NH1 2.83Å; S152-R175 PolarHBondContact OG-NH2 3.12Å |
| 153 | F | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.9 | -179.2 | 178.4 | -121.6 | 0 | 0 | 0 | 112.4 | Y91 L124 Q139 E143 A146 E155 | Y91-F153 AromaticContact CE1-CE2 3.99Å; Y91-F153 HydrophobicContact CE1-CE2 3.99Å; Y91-F153 VanDerWaalsContact OH-CE2 3.3Å; Y91-F153 WeakPolarHBondContact OH-CE2 3.33Å; Y91-F153 WeakPolarHBondContact OH-CZ 3.27Å; L124-F153 HydrophobicContact CB-CD2 4.09Å; L124-F153 HydrophobicContact CD2-CD2 3.89Å; L124-F153 HydrophobicContact CD2-CE2 4.31Å; L124-F153 HydrophobicContact CG-CD2 3.85Å; L124-F153 HydrophobicContact CG-CE2 4.29Å; L124-F153 WeakPolarHBondContact O-CA 3.43Å; Q139-F153 HydrophobicContact CG-CE1 3.93Å; E143-F153 HydrophobicContact CB-CD1 4.47Å; E143-F153 HydrophobicContact CG-CD1 3.53Å; E143-F153 HydrophobicContact CG-CE1 3.81Å; A146-F153 HydrophobicContact CB-CB 3.65Å; A146-F153 HydrophobicContact CB-CG 4.36Å; F153-E155 HydrophobicContact CE1-CG 4.06Å; F153-E155 HydrophobicContact CE2-CG 4.21Å; F153-E155 HydrophobicContact CZ-CG 3.48Å; F153-E155 VanDerWaalsContact CZ-CG 3.48Å |
| 154 | F | 98.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 23% | 0.228 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.1 | 171.6 | -61.8 | -86.7 | 0 | 0 | 0 | 110.5 | I123 L124 V125 G126 H167 I168 E171 | I123-F154 HydrophobicContact CG2-CD2 3.51Å; I123-F154 HydrophobicContact CG2-CE2 3.87Å; L124-F154 PolarHBondContact O-N 3.04Å; V125-F154 CarbonylContact C-O 3.59Å; V125-F154 WeakPolarHBondContact CA-O 3.41Å; G126-F154 PolarHBondContact N-O 3.43Å; F154-H167 AromaticContact CE1-CE1 3.61Å; F154-H167 AromaticContact CZ-CE1 3.96Å; F154-I168 HydrophobicContact CB-CG2 3.87Å; F154-I168 HydrophobicContact CD1-CG2 4.39Å; F154-I168 HydrophobicContact CD2-CG2 4.11Å; F154-I168 HydrophobicContact CG-CG2 3.86Å; F154-E171 HydrophobicContact CE2-CG 4.28Å; F154-E171 HydrophobicContact CZ-CG 4.21Å |
| 155 | E | 98.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.7 | 162.4 | -63.3 | -162.7 | 149.3 | 0 | 0 | 110.3 | I93 G126 L129 R135 F153 | I93-E155 WeakPolarHBondContact CG2-OE1 3.35Å; G126-E155 CarbonylContact O-C 3.5Å; G126-E155 WeakPolarHBondContact O-CA 3.32Å; L129-E155 HydrophobicContact CD1-CB 4.21Å; L129-E155 WeakPolarHBondContact CD1-OE2 3.16Å; L129-E155 HydrophobicContact CD2-CB 4.12Å; R135-E155 IonicContact CZ-OE1 3.82Å; R135-E155 IonicContact CZ-OE2 3.5Å; R135-E155 IonicContact NH1-OE1 2.95Å; R135-E155 PolarHBondContact NH1-OE1 3.25Å; R135-E155 IonicContact NH1-OE2 3.48Å; R135-E155 PolarHBondContact NH1-OE2 2.92Å; R135-E155 IonicContact NH2-OE1 3.81Å; R135-E155 IonicContact NH2-OE2 3.94Å; R135-E155 PolarHBondContact NH2-OE2 3.4Å; F153-E155 HydrophobicContact CE1-CG 4.06Å; F153-E155 HydrophobicContact CE2-CG 4.21Å; F153-E155 HydrophobicContact CZ-CG 3.48Å; F153-E155 VanDerWaalsContact CZ-CG 3.48Å |
| 156 | V | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -143.6 | 166.1 | -177.4 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | L29 V125 G126 N127 K128 L129 I168 | L29-V156 HydrophobicContact CD2-CG2 3.83Å; V125-V156 HydrophobicContact CG1-CG2 3.53Å; G126-V156 PolarHBondContact O-N 2.93Å; N127-V156 CarbonylContact C-O 3.46Å; N127-V156 VanDerWaalsContact CA-O 3.31Å; N127-V156 WeakPolarHBondContact CA-O 2.86Å; N127-V156 PolarHBondContact OD1-O 3.38Å; K128-V156 PolarHBondContact N-O 3.44Å; L129-V156 WeakPolarHBondContact CB-O 3.39Å; L129-V156 PolarHBondContact N-O 3.45Å; V156-I168 HydrophobicContact CG1-CD1 4.39Å; V156-I168 HydrophobicContact CG1-CG2 3.88Å; V156-I168 HydrophobicContact CG2-CD1 4.22Å | ||
| 157 | S | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -126.4 | 127 | 163.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | D130 C159 W160 | D130-S157 VanDerWaalsContact CG-OG 3.29Å; D130-S157 VanDerWaalsContact OD1-CB 3.29Å; D130-S157 WeakPolarHBondContact OD1-CB 3.33Å; D130-S157 PolarHBondContact OD1-OG 2.85Å; S157-C159 PolarHBondContact O-N 3.11Å; S157-C159 PolarHBondContact OG-N 2.77Å; S157-C159 VanDerWaalsContact OG-N 3.16Å; S157-C159 PolarHBondContact OG-SG 3.48Å; S157-W160 PolarHBondContact O-N 2.99Å | ||
| 158 | A | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A28 L29 K32 F38 N127 | A28-A158 HydrophobicContact CB-CB 3.8Å; L29-A158 HydrophobicContact CD2-CB 3.95Å; L29-A158 HydrophobicContact CG-CB 4.34Å; K32-A158 WeakPolarHBondContact CD-O 3.29Å; K32-A158 WeakPolarHBondContact CE-O 3.09Å; K32-A158 WeakPolarHBondContact CG-O 3.22Å; F38-A158 HydrophobicContact CD2-CB 4.13Å; F38-A158 HydrophobicContact CE2-CB 4.3Å; N127-A158 PolarHBondContact OD1-N 2.85Å |
| 159 | C | 96.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -8.9 | -176 | 80.2 | 0 | 0 | 0 | 0 | 114.1 | F38 D130 S157 | F38-C159 HydrophobicContact CB-CB 4.4Å; F38-C159 HydrophobicContact CD1-CB 3.74Å; F38-C159 HydrophobicContact CD2-CB 3.77Å; F38-C159 HydrophobicContact CE1-CB 3.87Å; F38-C159 HydrophobicContact CE2-CB 3.89Å; F38-C159 HydrophobicContact CG-CB 3.69Å; F38-C159 HydrophobicContact CZ-CB 3.94Å; D130-C159 PolarHBondContact OD2-SG 2.91Å; D130-C159 VanDerWaalsContact OD2-SG 3.32Å; S157-C159 PolarHBondContact O-N 3.11Å; S157-C159 PolarHBondContact OG-N 2.77Å; S157-C159 VanDerWaalsContact OG-N 3.16Å; S157-C159 PolarHBondContact OG-SG 3.48Å |
| 160 | W | 96.2 | Very high | 97.8 | Very high | 133 Ų | 133 | 43.5 Ų | 43.5 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -87 | -136.1 | 176.9 | -73 | -8.1 | 0 | 0 | 0 | 112.5 | K32 L129 D130 S157 | K32-W160 WeakPolarHBondContact CE-O 3.09Å; K32-W160 PolarHBondContact NZ-O 2.59Å; L129-W160 HydrophobicContact CB-CH2 4.32Å; L129-W160 HydrophobicContact CB-CZ3 3.98Å; L129-W160 HydrophobicContact CD2-CH2 4.39Å; L129-W160 HydrophobicContact CD2-CZ3 3.68Å; L129-W160 HydrophobicContact CG-CH2 3.89Å; L129-W160 HydrophobicContact CG-CZ3 3.61Å; D130-W160 HydrophobicContact CB-CD2 4.35Å; D130-W160 HydrophobicContact CB-CZ2 3.84Å; D130-W160 VanDerWaalsContact CB-NE1 3.32Å; S157-W160 PolarHBondContact O-N 2.99Å |
| 161 | D | 95.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | trans | -75.4 | 151.1 | -176.7 | 77.8 | -78.2 | 0 | 0 | 0 | 111.3 | L163 S164 | D161-L163 WeakPolarHBondContact OD2-CA 3.5Å; D161-L163 WeakPolarHBondContact OD2-CB 3.46Å; D161-L163 PolarHBondContact OD2-N 2.76Å; D161-S164 VanDerWaalsContact CG-OG 3.27Å; D161-S164 WeakPolarHBondContact OD1-CB 3.31Å; D161-S164 PolarHBondContact OD1-OG 2.87Å; D161-S164 PolarHBondContact OD2-N 2.91Å; D161-S164 PolarHBondContact OD2-OG 3.28Å; D161-S164 VanDerWaalsContact OD2-OG 3.08Å | ||
| 162 | F | 97.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.5 | -30.4 | 178.3 | 162.2 | -104.2 | 0 | 0 | 0 | 112.6 | K32 F33 K36 S164 V165 Q166 | K32-F162 WeakPolarHBondContact O-CD2 3.36Å; F33-F162 WeakPolarHBondContact O-CE2 3.29Å; K36-F162 HydrophobicContact CB-CB 4.43Å; K36-F162 HydrophobicContact CB-CD2 3.93Å; K36-F162 HydrophobicContact CB-CE2 4.37Å; K36-F162 HydrophobicContact CB-CG 4.06Å; K36-F162 HydrophobicContact CD-CD1 4.22Å; K36-F162 HydrophobicContact CD-CE1 4.06Å; K36-F162 HydrophobicContact CD-CE2 4.44Å; K36-F162 HydrophobicContact CD-CG 4.47Å; K36-F162 HydrophobicContact CD-CZ 4.17Å; K36-F162 HydrophobicContact CG-CD1 4.25Å; K36-F162 HydrophobicContact CG-CD2 3.77Å; K36-F162 HydrophobicContact CG-CE1 4.2Å; K36-F162 HydrophobicContact CG-CE2 3.71Å; K36-F162 HydrophobicContact CG-CG 4.04Å; K36-F162 HydrophobicContact CG-CZ 3.93Å; F162-S164 PolarHBondContact O-N 3.31Å; F162-V165 PolarHBondContact O-N 3.1Å; F162-Q166 HydrophobicContact CD1-CB 4.45Å; F162-Q166 HydrophobicContact CE1-CB 3.92Å; F162-Q166 VanDerWaalsContact CE1-CD 3.49Å; F162-Q166 HydrophobicContact CE1-CG 4.14Å; F162-Q166 VanDerWaalsContact CE1-OE1 3.26Å; F162-Q166 HydrophobicContact CE2-CB 4.02Å; F162-Q166 HydrophobicContact CE2-CG 4.49Å; F162-Q166 HydrophobicContact CZ-CB 3.69Å; F162-Q166 HydrophobicContact CZ-CG 3.81Å; F162-Q166 WeakPolarHBondContact O-CB 3.34Å; F162-Q166 PolarHBondContact O-N 3.26Å |
| 163 | L | 97.8 | Very high | 97.9 | Very high | 115 Ų | 115 | 35.4 Ų | 35.4 | 60% | 0.602 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69.3 | -37 | -170.6 | -62.8 | 176.3 | 0 | 0 | 0 | 111.6 | D161 V165 Q166 H167 | D161-L163 WeakPolarHBondContact OD2-CA 3.5Å; D161-L163 WeakPolarHBondContact OD2-CB 3.46Å; D161-L163 PolarHBondContact OD2-N 2.76Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 2.85Å; L163-Q166 PolarHBondContact O-N 2.87Å; L163-H167 WeakPolarHBondContact O-CB 3.36Å; L163-H167 PolarHBondContact O-N 3.43Å |
| 164 | S | 97.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 173.5 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | D161 F162 I168 | D161-S164 VanDerWaalsContact CG-OG 3.27Å; D161-S164 WeakPolarHBondContact OD1-CB 3.31Å; D161-S164 PolarHBondContact OD1-OG 2.87Å; D161-S164 PolarHBondContact OD2-N 2.91Å; D161-S164 PolarHBondContact OD2-OG 3.28Å; D161-S164 VanDerWaalsContact OD2-OG 3.08Å; F162-S164 PolarHBondContact O-N 3.31Å; S164-I168 PolarHBondContact O-N 3.33Å |
| 165 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.5 | -44.5 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L29 K32 F33 F162 L163 H167 I168 F169 | L29-V165 HydrophobicContact CD2-CG1 4.12Å; L29-V165 HydrophobicContact CD2-CG2 3.87Å; K32-V165 HydrophobicContact CB-CG1 4.25Å; K32-V165 HydrophobicContact CG-CB 4.01Å; K32-V165 HydrophobicContact CG-CG1 4.08Å; K32-V165 HydrophobicContact CG-CG2 3.84Å; F33-V165 HydrophobicContact CB-CG1 4.19Å; F162-V165 PolarHBondContact O-N 3.1Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 2.85Å; V165-H167 PolarHBondContact O-N 3.3Å; V165-I168 WeakPolarHBondContact O-CG1 3.42Å; V165-I168 PolarHBondContact O-N 3.33Å; V165-F169 HydrophobicContact CG1-CD2 4.07Å; V165-F169 HydrophobicContact CG1-CE2 3.92Å; V165-F169 WeakPolarHBondContact O-CD2 3.43Å; V165-F169 PolarHBondContact O-N 2.89Å |
| 166 | Q | 98.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 176.2 | -171.5 | -179.7 | 32.1 | 0 | 0 | 111.5 | F33 F162 L163 I168 F169 H170 | F33-Q166 HydrophobicContact CE2-CG 4.49Å; F162-Q166 HydrophobicContact CD1-CB 4.45Å; F162-Q166 HydrophobicContact CE1-CB 3.92Å; F162-Q166 VanDerWaalsContact CE1-CD 3.49Å; F162-Q166 HydrophobicContact CE1-CG 4.14Å; F162-Q166 VanDerWaalsContact CE1-OE1 3.26Å; F162-Q166 HydrophobicContact CE2-CB 4.02Å; F162-Q166 HydrophobicContact CE2-CG 4.49Å; F162-Q166 HydrophobicContact CZ-CB 3.69Å; F162-Q166 HydrophobicContact CZ-CG 3.81Å; F162-Q166 WeakPolarHBondContact O-CB 3.34Å; F162-Q166 PolarHBondContact O-N 3.26Å; L163-Q166 PolarHBondContact O-N 2.87Å; Q166-I168 PolarHBondContact O-N 3.49Å; Q166-F169 PolarHBondContact O-N 2.99Å; Q166-H170 PolarHBondContact NE2-CE1 2.95Å; Q166-H170 WeakPolarHBondContact O-CB 3.46Å; Q166-H170 PolarHBondContact O-N 3.38Å |
| 167 | H | 98.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 37% | 0.366 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 179.9 | 175.5 | -96.7 | 0 | 0 | 0 | 111.9 | F154 L163 V165 F169 H170 E171 | F154-H167 AromaticContact CE1-CE1 3.61Å; F154-H167 AromaticContact CZ-CE1 3.96Å; L163-H167 WeakPolarHBondContact O-CB 3.36Å; L163-H167 PolarHBondContact O-N 3.43Å; V165-H167 PolarHBondContact O-N 3.3Å; H167-F169 PolarHBondContact O-N 2.6Å; H167-H170 PolarHBondContact O-N 3.33Å; H167-E171 IonicContact NE2-OE2 3.93Å; H167-E171 WeakPolarHBondContact O-CB 3.34Å; H167-E171 PolarHBondContact O-N 3.07Å |
| 168 | I | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | -178.9 | 61.9 | 163.3 | 0 | 0 | 0 | 112.5 | V125 F154 V156 S164 V165 Q166 A172 | V125-I168 HydrophobicContact CG1-CD1 4.04Å; V125-I168 HydrophobicContact CG2-CD1 4.25Å; F154-I168 HydrophobicContact CB-CG2 3.87Å; F154-I168 HydrophobicContact CD1-CG2 4.39Å; F154-I168 HydrophobicContact CD2-CG2 4.11Å; F154-I168 HydrophobicContact CG-CG2 3.86Å; V156-I168 HydrophobicContact CG1-CD1 4.39Å; V156-I168 HydrophobicContact CG1-CG2 3.88Å; V156-I168 HydrophobicContact CG2-CD1 4.22Å; S164-I168 PolarHBondContact O-N 3.33Å; V165-I168 WeakPolarHBondContact O-CG1 3.42Å; V165-I168 PolarHBondContact O-N 3.33Å; Q166-I168 PolarHBondContact O-N 3.49Å; I168-A172 PolarHBondContact O-N 3.33Å; I168-A172 VanDerWaalsContact O-N 3.12Å |
| 169 | F | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.4 | -44.9 | 177.2 | -82 | -103.1 | 0 | 0 | 0 | 111 | L16 L18 L29 F33 V65 L88 V165 Q166 H167 E171 A172 V173 | L16-F169 HydrophobicContact CD1-CB 4.43Å; L16-F169 HydrophobicContact CD1-CD1 3.67Å; L16-F169 HydrophobicContact CD1-CE1 4.44Å; L16-F169 HydrophobicContact CD1-CG 4.45Å; L18-F169 HydrophobicContact CD1-CE1 4.01Å; L18-F169 HydrophobicContact CD1-CZ 4.07Å; L18-F169 HydrophobicContact CD2-CZ 4.18Å; L29-F169 HydrophobicContact CB-CE2 4.31Å; F33-F169 HydrophobicContact CB-CD1 4.32Å; F33-F169 HydrophobicContact CB-CD2 3.99Å; F33-F169 HydrophobicContact CB-CE1 4.22Å; F33-F169 HydrophobicContact CB-CE2 3.89Å; F33-F169 HydrophobicContact CB-CG 4.23Å; F33-F169 HydrophobicContact CB-CZ 4.01Å; F33-F169 AromaticContact CD1-CD1 3.56Å; F33-F169 HydrophobicContact CD1-CD1 3.56Å; F33-F169 AromaticContact CD1-CE1 3.81Å; F33-F169 HydrophobicContact CD1-CE1 3.81Å; F33-F169 HydrophobicContact CD1-CG 4.01Å; F33-F169 HydrophobicContact CD1-CZ 4.44Å; F33-F169 HydrophobicContact CD2-CB 3.65Å; F33-F169 HydrophobicContact CD2-CD1 4.09Å; F33-F169 HydrophobicContact CD2-CD2 4Å; F33-F169 AromaticContact CD2-CG 3.65Å; F33-F169 HydrophobicContact CD2-CG 3.65Å; F33-F169 HydrophobicContact CE1-CB 4.4Å; F33-F169 AromaticContact CE1-CD1 3.76Å; F33-F169 HydrophobicContact CE1-CD1 3.76Å; F33-F169 HydrophobicContact CE1-CE1 4.37Å; F33-F169 HydrophobicContact CE1-CG 4.25Å; F33-F169 HydrophobicContact CE2-CB 3.47Å; F33-F169 VanDerWaalsContact CE2-CB 3.47Å; F33-F169 HydrophobicContact CE2-CD1 4.27Å; F33-F169 AromaticContact CE2-CG 3.93Å; F33-F169 HydrophobicContact CE2-CG 3.93Å; F33-F169 HydrophobicContact CG-CB 4.18Å; F33-F169 AromaticContact CG-CD1 3.71Å; F33-F169 HydrophobicContact CG-CD1 3.71Å; F33-F169 AromaticContact CG-CD2 3.95Å; F33-F169 HydrophobicContact CG-CD2 3.95Å; F33-F169 HydrophobicContact CG-CE1 4.03Å; F33-F169 HydrophobicContact CG-CE2 4.25Å; F33-F169 AromaticContact CG-CG 3.69Å; F33-F169 HydrophobicContact CG-CG 3.69Å; F33-F169 HydrophobicContact CG-CZ 4.29Å; F33-F169 HydrophobicContact CZ-CB 3.86Å; F33-F169 HydrophobicContact CZ-CD1 4.09Å; F33-F169 HydrophobicContact CZ-CG 4.2Å; V65-F169 HydrophobicContact CG1-CE1 3.94Å; V65-F169 HydrophobicContact CG2-CD1 4.27Å; V65-F169 HydrophobicContact CG2-CE1 3.94Å; L88-F169 HydrophobicContact CD1-CD1 4.09Å; L88-F169 HydrophobicContact CD1-CD2 4.24Å; L88-F169 HydrophobicContact CD1-CE1 3.9Å; L88-F169 HydrophobicContact CD1-CE2 4.07Å; L88-F169 HydrophobicContact CD1-CG 4.25Å; L88-F169 HydrophobicContact CD1-CZ 3.9Å; V165-F169 HydrophobicContact CG1-CD2 4.07Å; V165-F169 HydrophobicContact CG1-CE2 3.92Å; V165-F169 WeakPolarHBondContact O-CD2 3.43Å; V165-F169 PolarHBondContact O-N 2.89Å; Q166-F169 PolarHBondContact O-N 2.99Å; H167-F169 PolarHBondContact O-N 2.6Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 3.38Å; F169-A172 WeakPolarHBondContact O-CB 3.27Å; F169-A172 PolarHBondContact O-N 3.14Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.36Å; F169-V173 VanDerWaalsContact O-N 3.12Å |
| 170 | H | 98.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 45 Ų | 45 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 176.6 | -78.8 | -153 | 0 | 0 | 0 | 111.9 | E54 V56 Q166 H167 V173 R174 | E54-H170 IonicContact OE2-CE1 3.73Å; E54-H170 IonicContact OE2-NE2 2.93Å; E54-H170 PolarHBondContact OE2-NE2 3Å; V56-H170 HydrophobicContact CG1-CB 4.21Å; V56-H170 HydrophobicContact CG2-CB 4.47Å; Q166-H170 PolarHBondContact NE2-CE1 2.95Å; Q166-H170 WeakPolarHBondContact O-CB 3.46Å; Q166-H170 PolarHBondContact O-N 3.38Å; H167-H170 PolarHBondContact O-N 3.33Å; H170-V173 PolarHBondContact O-N 3.06Å; H170-R174 WeakPolarHBondContact O-CB 3.5Å; H170-R174 WeakPolarHBondContact O-CG 3.33Å; H170-R174 PolarHBondContact O-N 3.26Å |
| 171 | E | 98.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174 | -177.2 | 65.4 | -115.7 | 0 | 0 | 112.1 | I123 F154 H167 F169 V173 R174 R175 | I123-E171 HydrophobicContact CD1-CB 4.36Å; I123-E171 HydrophobicContact CD1-CG 4.08Å; F154-E171 HydrophobicContact CE2-CG 4.28Å; F154-E171 HydrophobicContact CZ-CG 4.21Å; H167-E171 IonicContact NE2-OE2 3.93Å; H167-E171 WeakPolarHBondContact O-CB 3.34Å; H167-E171 PolarHBondContact O-N 3.07Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 3.38Å; E171-V173 VanDerWaalsContact C-N 3.33Å; E171-V173 PolarHBondContact O-N 2.85Å; E171-R174 PolarHBondContact O-N 3.25Å; E171-R174 IonicContact OE1-NH1 3.43Å; E171-R174 PolarHBondContact OE1-NH1 3.24Å; E171-R174 IonicContact OE2-CZ 3.74Å; E171-R174 IonicContact OE2-NH1 2.6Å; E171-R174 PolarHBondContact OE2-NH1 2.96Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE1-CZ 3.75Å; E171-R175 IonicContact OE1-NE 3.64Å; E171-R175 IonicContact OE1-NH1 3.51Å; E171-R175 PolarHBondContact OE1-NH1 3.07Å; E171-R175 IonicContact OE2-NH1 3.89Å |
| 172 | A | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L16 A86 L88 I123 I168 F169 R175 A176 | L16-A172 HydrophobicContact CD1-CB 4.49Å; L16-A172 HydrophobicContact CD2-CB 3.85Å; A86-A172 HydrophobicContact CB-CB 3.97Å; L88-A172 HydrophobicContact CD2-CB 4.09Å; I123-A172 HydrophobicContact CD1-CB 3.89Å; I168-A172 PolarHBondContact O-N 3.33Å; I168-A172 VanDerWaalsContact O-N 3.12Å; F169-A172 WeakPolarHBondContact O-CB 3.27Å; F169-A172 PolarHBondContact O-N 3.14Å; A172-R175 PolarHBondContact O-N 3.04Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 3.32Å |
| 173 | V | 97.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | C14 L16 V56 V61 V63 F169 H170 E171 R175 A176 K177 | C14-V173 HydrophobicContact CB-CG1 4.39Å; C14-V173 HydrophobicContact CB-CG2 4.29Å; L16-V173 HydrophobicContact CD1-CG2 4.24Å; L16-V173 HydrophobicContact CD2-CG2 4.33Å; V56-V173 HydrophobicContact CB-CG1 4.24Å; V56-V173 HydrophobicContact CG1-CB 4.42Å; V56-V173 HydrophobicContact CG1-CG1 4.16Å; V56-V173 HydrophobicContact CG2-CB 4.35Å; V56-V173 HydrophobicContact CG2-CG1 4.01Å; V61-V173 HydrophobicContact CG1-CG1 3.99Å; V61-V173 HydrophobicContact CG2-CG1 4.16Å; V63-V173 HydrophobicContact CG1-CG2 4.45Å; V63-V173 HydrophobicContact CG2-CG2 3.83Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.36Å; F169-V173 VanDerWaalsContact O-N 3.12Å; H170-V173 PolarHBondContact O-N 3.06Å; E171-V173 VanDerWaalsContact C-N 3.33Å; E171-V173 PolarHBondContact O-N 2.85Å; V173-R175 VanDerWaalsContact C-N 3.34Å; V173-R175 PolarHBondContact O-N 3.31Å; V173-A176 PolarHBondContact O-N 2.74Å; V173-K177 HydrophobicContact CG1-CD 4.33Å; V173-K177 WeakPolarHBondContact O-CG 3.24Å; V173-K177 PolarHBondContact O-N 3.2Å |
| 174 | R | 95.9 | Very high | 85.1 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 179 | -79.7 | -176.3 | -106.7 | 115.6 | -2.1 | 111.5 | V56 D57 H170 E171 R178 | V56-R174 HydrophobicContact CG1-CG 3.73Å; D57-R174 IonicContact OD1-NE 3.71Å; D57-R174 WeakPolarHBondContact OD2-CD 3.44Å; D57-R174 VanDerWaalsContact OD2-CG 3.31Å; D57-R174 WeakPolarHBondContact OD2-CG 3.49Å; H170-R174 WeakPolarHBondContact O-CB 3.5Å; H170-R174 WeakPolarHBondContact O-CG 3.33Å; H170-R174 PolarHBondContact O-N 3.26Å; E171-R174 PolarHBondContact O-N 3.25Å; E171-R174 IonicContact OE1-NH1 3.43Å; E171-R174 PolarHBondContact OE1-NH1 3.24Å; E171-R174 IonicContact OE2-CZ 3.74Å; E171-R174 IonicContact OE2-NH1 2.6Å; E171-R174 PolarHBondContact OE2-NH1 2.96Å; R174-R178 WeakPolarHBondContact O-CG 2.98Å; R174-R178 PolarHBondContact O-N 3.26Å |
| 175 | R | 94.8 | Very high | 82.8 | Confident | 75 Ų | 75 | 51 Ų | 51 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 178.4 | -71.6 | -176 | 157.6 | 99.3 | 1.3 | 112.2 | P121 S152 E171 A172 V173 K177 R178 S179 | P121-R175 HydrophobicContact CB-CB 3.56Å; P121-R175 HydrophobicContact CB-CG 4.43Å; P121-R175 HydrophobicContact CG-CB 3.63Å; S152-R175 PolarHBondContact OG-NE 3.13Å; S152-R175 PolarHBondContact OG-NH1 2.83Å; S152-R175 PolarHBondContact OG-NH2 3.12Å; E171-R175 PolarHBondContact O-N 3.27Å; E171-R175 IonicContact OE1-CZ 3.75Å; E171-R175 IonicContact OE1-NE 3.64Å; E171-R175 IonicContact OE1-NH1 3.51Å; E171-R175 PolarHBondContact OE1-NH1 3.07Å; E171-R175 IonicContact OE2-NH1 3.89Å; A172-R175 PolarHBondContact O-N 3.04Å; V173-R175 VanDerWaalsContact C-N 3.34Å; V173-R175 PolarHBondContact O-N 3.31Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.28Å; R175-R178 PolarHBondContact O-N 2.99Å; R175-S179 PolarHBondContact O-N 3.28Å; R175-S179 PolarHBondContact O-OG 3.27Å |
| 176 | A | 93.3 | Very high | 80.5 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N85 A86 P121 A172 V173 S179 G180 | N85-A176 HydrophobicContact CB-CB 4.12Å; N85-A176 VanDerWaalsContact O-CB 3.3Å; N85-A176 WeakPolarHBondContact O-CB 3.24Å; A86-A176 HydrophobicContact CB-CB 4.44Å; P121-A176 HydrophobicContact CG-CB 4.28Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 3.32Å; V173-A176 PolarHBondContact O-N 2.74Å; A176-S179 WeakPolarHBondContact O-CB 3.23Å; A176-S179 PolarHBondContact O-N 3.5Å; A176-G180 PolarHBondContact O-N 3.48Å |
| 177 | K | 88.8 | Confident | 77.8 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 27% | 0.265 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.8 | -74.8 | -179.6 | 174.4 | -173.9 | 0 | 113 | V173 R175 S179 G180 E181 | V173-K177 HydrophobicContact CG1-CD 4.33Å; V173-K177 WeakPolarHBondContact O-CG 3.24Å; V173-K177 PolarHBondContact O-N 3.2Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.28Å; K177-S179 PolarHBondContact O-N 2.9Å; K177-G180 PolarHBondContact O-N 2.91Å; K177-G180 VanDerWaalsContact O-N 3.12Å; K177-E181 PolarHBondContact O-N 2.93Å |
| 178 | R | 83.3 | Confident | 75 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.3 | -37.6 | 178.3 | -69.9 | 175.4 | -175.3 | 172.8 | 2.8 | 111.8 | R174 R175 H182 | R174-R178 WeakPolarHBondContact O-CG 2.98Å; R174-R178 PolarHBondContact O-N 3.26Å; R175-R178 PolarHBondContact O-N 2.99Å; R178-H182 PolarHBondContact O-N 3.49Å; R178-H182 PolarHBondContact O-ND1 2.88Å |
| 179 | S | 71.3 | Confident | 72.1 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | Q119 R175 A176 K177 S183 | Q119-S179 VanDerWaalsContact CB-CB 3.48Å; Q119-S179 WeakPolarHBondContact CB-OG 3.21Å; Q119-S179 VanDerWaalsContact O-CB 3.31Å; Q119-S179 WeakPolarHBondContact O-CB 3.37Å; Q119-S179 PolarHBondContact O-OG 3.28Å; R175-S179 PolarHBondContact O-N 3.28Å; R175-S179 PolarHBondContact O-OG 3.27Å; A176-S179 WeakPolarHBondContact O-CB 3.23Å; A176-S179 PolarHBondContact O-N 3.5Å; K177-S179 PolarHBondContact O-N 2.9Å; S179-S183 PolarHBondContact O-N 3.42Å |
| 180 | G | 63.7 | Low | 69.1 | Low | 26 Ų | 26 | 74.5 Ų | 74.5 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A176 K177 S183 N184 | A176-G180 PolarHBondContact O-N 3.48Å; K177-G180 PolarHBondContact O-N 2.91Å; K177-G180 VanDerWaalsContact O-N 3.12Å; G180-S183 WeakPolarHBondContact CA-OG 3.21Å; G180-S183 PolarHBondContact O-N 3.21Å; G180-S183 PolarHBondContact O-OG 3.22Å; G180-N184 WeakPolarHBondContact O-CB 3.48Å; G180-N184 VanDerWaalsContact O-CG 3.27Å; G180-N184 PolarHBondContact O-N 2.93Å; G180-N184 PolarHBondContact O-ND2 3.35Å |
| 181 | E | 59.5 | Low | 66.3 | Low | 121 Ų | 121 | 79.5 Ų | 79.5 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 175.1 | -72.1 | 174.2 | 172.6 | 0 | 0 | 111.6 | K177 N184 L185 | K177-E181 PolarHBondContact O-N 2.93Å; E181-N184 PolarHBondContact O-N 3.44Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.18Å |
| 182 | H | 54 | Low | 63.2 | Low | 126 Ų | 126 | 84 Ų | 84 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | 176 | -74.9 | 78.2 | 0 | 0 | 0 | 112.6 | R178 L185 L186 | R178-H182 PolarHBondContact O-N 3.49Å; R178-H182 PolarHBondContact O-ND1 2.88Å; H182-L185 PolarHBondContact O-N 3.47Å; H182-L186 WeakPolarHBondContact O-CG 3.49Å; H182-L186 PolarHBondContact O-N 3.35Å |
| 183 | S | 53.2 | Low | 60.4 | Low | 48 Ų | 48 | 92.7 Ų | 92.7 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 174.3 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | S179 G180 L186 N187 | S179-S183 PolarHBondContact O-N 3.42Å; G180-S183 WeakPolarHBondContact CA-OG 3.21Å; G180-S183 PolarHBondContact O-N 3.21Å; G180-S183 PolarHBondContact O-OG 3.22Å; S183-L186 PolarHBondContact O-N 3.14Å; S183-N187 PolarHBondContact O-N 2.93Å |
| 184 | N | 48.7 | Very low | 57.7 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.1 | -35.5 | 177.8 | -74.2 | -28.2 | 0 | 0 | 0 | 112.5 | G180 E181 N187 A188 | G180-N184 WeakPolarHBondContact O-CB 3.48Å; G180-N184 VanDerWaalsContact O-CG 3.27Å; G180-N184 PolarHBondContact O-N 2.93Å; G180-N184 PolarHBondContact O-ND2 3.35Å; E181-N184 PolarHBondContact O-N 3.44Å; N184-N187 PolarHBondContact O-N 2.96Å; N184-A188 VanDerWaalsContact O-CB 3.3Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 3.25Å |
| 185 | L | 49.6 | Very low | 54.7 | Low | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.4 | -37.4 | 174.6 | -70.3 | 171.9 | 0 | 0 | 0 | 112.3 | E181 H182 A188 A189 | E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.18Å; H182-L185 PolarHBondContact O-N 3.47Å; L185-A188 PolarHBondContact O-N 2.78Å; L185-A189 PolarHBondContact O-N 3.25Å |
| 186 | L | 48.6 | Very low | 51.8 | Low | 131 Ų | 131 | 109 Ų | 109 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 174.4 | -70.6 | 170.8 | 0 | 0 | 0 | 112.1 | H182 S183 | H182-L186 WeakPolarHBondContact O-CG 3.49Å; H182-L186 PolarHBondContact O-N 3.35Å; S183-L186 PolarHBondContact O-N 3.14Å |
| 187 | N | 41.7 | Very low | 49.3 | Very low | 121 Ų | 121 | 116 Ų | 116 | 65% | 0.647 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.5 | -29.8 | 175.6 | -73.3 | -17.8 | 0 | 0 | 0 | 113.1 | S183 N184 A189 | S183-N187 PolarHBondContact O-N 2.93Å; N184-N187 PolarHBondContact O-N 2.96Å; N187-A189 VanDerWaalsContact C-N 3.31Å |
| 188 | A | 40.4 | Very low | 46.7 | Very low | 76 Ų | 76 | 121.4 Ų | 121.4 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.3 | -18.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N184 L185 | N184-A188 VanDerWaalsContact O-CB 3.3Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 3.25Å; L185-A188 PolarHBondContact O-N 2.78Å |
| 189 | A | 36.9 | Very low | 44.3 | Very low | 82 Ų | 82 | 118 Ų | 118 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L185 N187 | L185-A189 PolarHBondContact O-N 3.25Å; N187-A189 VanDerWaalsContact C-N 3.31Å |
| 190 | Y | 35.3 | Very low | 42.3 | Very low | 208 Ų | 208 | 124 Ų | 124 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -111.5 | 68.1 | 178.1 | -132.7 | -88.2 | 0 | 0 | 0 | 111.3 | ||||
| 191 | V | 39.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -116.2 | 99.8 | 159.2 | -177.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 192 | S | 33.2 | Very low | 39.4 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -144.8 | 139.6 | 161.1 | -75.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 193 | E | 39.5 | Very low | 38.2 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -70.8 | 155.4 | -158.3 | -63.3 | 169.8 | 145.5 | 0 | 0 | 114.6 | ||||
| 194 | D | 40.1 | Very low | 37.2 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 56.1 | 109 | 159.4 | -72.3 | -17.7 | 0 | 0 | 0 | 120.7 | ||||
| 195 | K | 32.9 | Very low | 36.6 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | -164 | 134.6 | 113.1 | -112.4 | 173.2 | -177.7 | 178.5 | 0 | 113.6 | |||||
| 196 | A | 33.9 | Very low | 35.8 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 153.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 197 | L | 41.6 | Very low | 35 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 64.4 | 113.3 | 159.5 | -62.7 | 168.6 | 0 | 0 | 0 | 118.1 | ||||
| 198 | L | 33.3 | Very low | 34.9 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | -177.2 | 120.7 | 108.1 | -90.4 | 163.9 | 0 | 0 | 0 | 111.2 | |||||
| 199 | G | 33.8 | Very low | 35.3 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 47.9 | 87.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 200 | V | 29.3 | Very low | 36 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | trans | -88.3 | 108 | 157.7 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | S202 | V200-S202 PolarHBondContact O-N 3.23Š| ||
| 201 | H | 29.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -63.4 | 124.6 | 163.3 | -89.2 | -87 | 0 | 0 | 0 | 109 | F203 | H201-F203 PolarHBondContact O-N 3.32Å; H201-F203 VanDerWaalsContact O-N 3.14Å | ||
| 202 | S | 31.2 | Very low | 38.1 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -52.2 | 110.8 | 172.8 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | V200 S204 | V200-S202 PolarHBondContact O-N 3.23Å; S202-S204 PolarHBondContact O-N 3.37Å | ||
| 203 | F | 29 | Very low | 39.6 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -80 | 100.2 | 161.9 | -84.9 | -84.8 | 0 | 0 | 0 | 107.3 | H201 T205 | H201-F203 PolarHBondContact O-N 3.32Å; H201-F203 VanDerWaalsContact O-N 3.14Å; F203-T205 PolarHBondContact O-N 3.46Å | ||
| 204 | S | 32.5 | Very low | 40.9 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -53.3 | 131.6 | 172.3 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | S202 L206 | S202-S204 PolarHBondContact O-N 3.37Å; S204-L206 PolarHBondContact O-N 2.84Å; S204-L206 VanDerWaalsContact O-N 3.09Å | ||
| 205 | T | 36.8 | Very low | 42.1 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -36.5 | 104.2 | 169.3 | -38.8 | 0 | 0 | 0 | 0 | 112.5 | F203 | F203-T205 PolarHBondContact O-N 3.46Š| ||
| 206 | L | 32.7 | Very low | 43 | Very low | 153 Ų | 153 | 124 Ų | 124 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | -76.7 | 137.8 | 170.9 | -94.3 | 153.3 | 0 | 0 | 0 | 109.9 | S204 Y208 | S204-L206 PolarHBondContact O-N 2.84Å; S204-L206 VanDerWaalsContact O-N 3.09Å; L206-Y208 WeakPolarHBondContact O-CD2 3.2Å; L206-Y208 PolarHBondContact O-N 3.49Å; L206-Y208 VanDerWaalsContact O-N 3.12Å | ||
| 207 | C | 31.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 121 Ų | 121 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | trans | -65.6 | 101.3 | -165.8 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | K209 | C207-K209 PolarHBondContact O-N 2.62Š| ||
| 208 | Y | 40.4 | Very low | 43.8 | Very low | 187 Ų | 187 | 119.7 Ų | 119.7 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.5 | 166.5 | -61.5 | -83.9 | 0 | 0 | 0 | 108.5 | L206 E210 | L206-Y208 WeakPolarHBondContact O-CD2 3.2Å; L206-Y208 PolarHBondContact O-N 3.49Å; L206-Y208 VanDerWaalsContact O-N 3.12Å; Y208-E210 PolarHBondContact O-N 3.28Å |
| 209 | K | 48.6 | Very low | 44.4 | Very low | 198 Ų | 198 | 115.3 Ų | 115.3 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -63 | 118.6 | 144.4 | -76.3 | -176.6 | 177.4 | 178.5 | 0 | 104.8 | C207 L211 | C207-K209 PolarHBondContact O-N 2.62Å; K209-L211 PolarHBondContact O-N 3.02Å |
| 210 | E | 50.9 | Low | 44.5 | Very low | 187 Ų | 187 | 114.8 Ų | 114.8 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 118.5 | -179 | -72.3 | -176.9 | 150 | 0 | 0 | 109.3 | Y208 | Y208-E210 PolarHBondContact O-N 3.28Š|
| 211 | L | 60.6 | Low | 44.9 | Very low | 68 Ų | 68 | 112.4 Ų | 112.4 | 36% | 0.356 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 141.7 | 171 | -73.3 | 172.2 | 0 | 0 | 0 | 108.2 | I49 M66 W83 K209 T213 | I49-L211 HydrophobicContact CD1-CB 4.13Å; I49-L211 HydrophobicContact CD1-CD1 4.48Å; I49-L211 HydrophobicContact CD1-CD2 4.35Å; M66-L211 HydrophobicContact CE-CD2 3.88Å; W83-L211 VanDerWaalsContact CD1-CD1 3.48Å; W83-L211 HydrophobicContact CG-CD1 4.03Å; K209-L211 PolarHBondContact O-N 3.02Å; L211-T213 PolarHBondContact O-N 3.06Å |
| 212 | P | 58.4 | Low | 45.2 | Very low | 55 Ų | 55 | 107.3 Ų | 107.3 | 36% | 0.357 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 139.9 | 178.7 | 23.1 | -31.5 | 0 | 0 | 0 | 110.1 | I49 | I49-P212 HydrophobicContact CD1-CG 4.25Å; I49-P212 HydrophobicContact CG1-CG 4.13Å |
| 213 | T | 65.4 | Low | 45.2 | Very low | 132 Ų | 132 | 111.1 Ų | 111.1 | 81% | 0.81 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 127.3 | 175 | -41.7 | 0 | 0 | 0 | 0 | 108.1 | L211 A215 | L211-T213 PolarHBondContact O-N 3.06Å; T213-A215 PolarHBondContact O-N 3.36Å |
| 214 | P | 66.9 | Low | 45.7 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 28% | 0.279 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 124.5 | -171.4 | 21.5 | -32.4 | 0 | 0 | 0 | 111.2 | I49 R64 | I49-P214 HydrophobicContact CB-CB 4.45Å; I49-P214 HydrophobicContact CG2-CB 3.97Å; I49-P214 CarbonylContact O-C 3.52Å; I49-P214 WeakPolarHBondContact O-CA 3.41Å; R64-P214 VanDerWaalsContact NH2-CD 3.34Å; R64-P214 VanDerWaalsContact NH2-CG 3.3Å |
| 215 | A | 63.9 | Low | 45.9 | Very low | 19 Ų | 19 | 105.5 Ų | 105.5 | 16% | 0.157 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I49 Y50 S51 T213 A217 | I49-A215 PolarHBondContact O-N 2.74Å; Y50-A215 WeakPolarHBondContact CA-O 3.47Å; Y50-A215 HydrophobicContact CD1-CB 4.09Å; Y50-A215 HydrophobicContact CE1-CB 4.3Å; S51-A215 PolarHBondContact N-O 3.22Å; S51-A215 VanDerWaalsContact N-O 3.13Å; T213-A215 PolarHBondContact O-N 3.36Å; A215-A217 PolarHBondContact O-N 3.05Å |
| 216 | T | 52.7 | Low | 46.1 | Very low | 80 Ų | 80 | 111.5 Ų | 111.5 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.1 | 170.2 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | K218 | T216-K218 PolarHBondContact O-N 2.66Å |
| 217 | A | 48.4 | Very low | 46.6 | Very low | 26 Ų | 26 | 108.5 Ų | 108.5 | 22% | 0.215 | 58% | 0.582 | C | S | . | * | trans | -68.7 | 94.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L34 A215 F242 | L34-A217 HydrophobicContact CB-CB 4.15Å; L34-A217 HydrophobicContact CD1-CB 4.18Å; A215-A217 PolarHBondContact O-N 3.05Å; A217-F242 HydrophobicContact CB-CE2 3.86Å | ||
| 218 | K | 44.4 | Very low | 47 | Very low | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.8 | 172.2 | -69.9 | -172.5 | -179.2 | -179 | 0 | 109.4 | T216 V220 K240 | T216-K218 PolarHBondContact O-N 2.66Å; K218-V220 PolarHBondContact O-N 2.87Å; K218-V220 VanDerWaalsContact O-N 3.13Å; K218-K240 PolarHBondContact O-N 3.08Å |
| 219 | L | 44.5 | Very low | 46.9 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.1 | 107.6 | 173.1 | -168.3 | 79.6 | 0 | 0 | 0 | 109 | T237 L239 | L219-T237 HydrophobicContact CD1-CG2 3.4Å; L219-T237 HydrophobicContact CG-CG2 4.18Å; L219-L239 HydrophobicContact CD1-CD2 4.08Å |
| 220 | V | 37.3 | Very low | 46.7 | Very low | 62 Ų | 62 | 109 Ų | 109 | 38% | 0.376 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.8 | 172.9 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | K218 V222 L238 K240 | K218-V220 PolarHBondContact O-N 2.87Å; K218-V220 VanDerWaalsContact O-N 3.13Å; V220-V222 HydrophobicContact CG1-CG2 4.11Å; V220-V222 PolarHBondContact O-N 3.48Å; V220-L238 WeakPolarHBondContact CB-O 3.49Å; V220-L238 PolarHBondContact N-O 2.87Å; V220-L238 PolarHBondContact O-N 3.25Å; V220-K240 HydrophobicContact CG2-CB 4.38Å |
| 221 | T | 37.5 | Very low | 46.5 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 103 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 222 | V | 34.8 | Very low | 45.6 | Very low | 58 Ų | 58 | 119.4 Ų | 119.4 | 35% | 0.352 | 62% | 0.615 | S | S | . | * | trans | -85.4 | 114.7 | 172.6 | -171 | 0 | 0 | 0 | 0 | 107.6 | V220 A224 L238 | V220-V222 HydrophobicContact CG1-CG2 4.11Å; V220-V222 PolarHBondContact O-N 3.48Å; V222-A224 PolarHBondContact O-N 2.91Å; V222-L238 HydrophobicContact CG2-CB 4.16Å; V222-L238 HydrophobicContact CG2-CD1 3.79Å | ||
| 223 | K | 31.2 | Very low | 44.5 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 84% | 0.839 | 63% | 0.628 | S | S | * | * | trans | -68.8 | 114.2 | 168 | -73.5 | -178.7 | 178.6 | 174 | 0 | 107 | S225 | K223-S225 PolarHBondContact O-N 3.25Š| ||
| 224 | A | 39.7 | Very low | 42.9 | Very low | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | trans | -55 | 127.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V222 R226 A233 | V222-A224 PolarHBondContact O-N 2.91Å; A224-R226 PolarHBondContact O-N 3.09Å; A224-A233 HydrophobicContact CB-CB 4.49Å | ||
| 225 | S | 36.8 | Very low | 41.3 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | trans | -53.2 | 126.8 | 177.5 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | K223 A227 | K223-S225 PolarHBondContact O-N 3.25Å; S225-A227 VanDerWaalsContact C-N 3.28Å; S225-A227 PolarHBondContact O-N 3.46Å | ||
| 226 | R | 41.6 | Very low | 40.1 | Very low | 261 Ų | 261 | 125.9 Ų | 125.9 | 99% | 0.985 | 66% | 0.662 | S | S | * | * | trans | -66.2 | 87.5 | 171.7 | -80.8 | -178.8 | 171.3 | 179.6 | -2.7 | 109.2 | A224 | A224-R226 PolarHBondContact O-N 3.09Š| ||
| 227 | A | 42.6 | Very low | 39.5 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | trans | -99.9 | 134.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S225 S229 | S225-A227 VanDerWaalsContact C-N 3.28Å; S225-A227 PolarHBondContact O-N 3.46Å; A227-S229 PolarHBondContact O-N 2.97Å | ||
| 228 | Q | 40.4 | Very low | 39.1 | Very low | 205 Ų | 205 | 127.2 Ų | 127.2 | 96% | 0.958 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -51.5 | 105.1 | -169.3 | -67.8 | 160.1 | -39.9 | 0 | 0 | 113.2 | ||
| 229 | S | 37.8 | Very low | 39.2 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | trans | -158.5 | 125.8 | 156 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | A227 R231 | A227-S229 PolarHBondContact O-N 2.97Å; S229-R231 PolarHBondContact O-N 3.18Å | ||
| 230 | K | 45.3 | Very low | 39.1 | Very low | 223 Ų | 223 | 124.1 Ų | 124.1 | 97% | 0.97 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -73.8 | 48.8 | 178.7 | -79 | -179.6 | 173.1 | 176.4 | 0 | 112.6 | ||
| 231 | R | 45.8 | Very low | 39.6 | Very low | 217 Ų | 217 | 122.9 Ų | 122.9 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -130.8 | 133.9 | 166.4 | -71.1 | -173.8 | 177.4 | -178.2 | -0.3 | 108.2 | S229 A233 | S229-R231 PolarHBondContact O-N 3.18Å; R231-A233 PolarHBondContact O-N 3.36Å |
| 232 | R | 42.3 | Very low | 40.1 | Very low | 256 Ų | 256 | 119.1 Ų | 119.1 | 97% | 0.966 | 62% | 0.621 | S | S | * | * | trans | -43.7 | 107.7 | -178.3 | -75.4 | 176.5 | 172.2 | 175.8 | -3.4 | 109.8 | A234 | R232-A234 PolarHBondContact O-N 2.91Š| ||
| 233 | A | 34.8 | Very low | 40.8 | Very low | 76 Ų | 76 | 122 Ų | 122 | 63% | 0.628 | 63% | 0.629 | S | S | * | * | trans | -66.3 | 124 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109 | A224 R231 T235 | A224-A233 HydrophobicContact CB-CB 4.49Å; R231-A233 PolarHBondContact O-N 3.36Å; A233-T235 PolarHBondContact O-N 3.12Å | ||
| 234 | A | 32.6 | Very low | 41.7 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | trans | -61.7 | 127.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R232 L236 | R232-A234 PolarHBondContact O-N 2.91Å; A234-L236 PolarHBondContact O-N 2.97Å | ||
| 235 | T | 33.7 | Very low | 42 | Very low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | trans | -79.4 | 102.1 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 108.3 | A233 T237 | A233-T235 PolarHBondContact O-N 3.12Å; T235-T237 PolarHBondContact O-N 3.35Å | ||
| 236 | L | 37 | Very low | 42.3 | Very low | 127 Ų | 127 | 120 Ų | 120 | 67% | 0.665 | 60% | 0.601 | S | S | * | * | trans | -72.6 | 109.2 | 172.5 | -69 | 170.4 | 0 | 0 | 0 | 108.7 | A234 L238 | A234-L236 PolarHBondContact O-N 2.97Å; L236-L238 PolarHBondContact O-N 3.2Å | ||
| 237 | T | 40.5 | Very low | 42.3 | Very low | 34 Ų | 34 | 112.6 Ų | 112.6 | 21% | 0.209 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.7 | 171.4 | -55.5 | 0 | 0 | 0 | 0 | 107.4 | R37 L219 T235 | R37-T237 PolarHBondContact NH1-OG1 3.3Å; R37-T237 VanDerWaalsContact NH1-OG1 3.11Å; L219-T237 HydrophobicContact CD1-CG2 3.4Å; L219-T237 HydrophobicContact CG-CG2 4.18Å; T235-T237 PolarHBondContact O-N 3.35Å |
| 238 | L | 40 | Very low | 42.3 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.4 | 171.8 | -89 | 140.2 | 0 | 0 | 0 | 108.3 | V220 V222 L236 | V220-L238 WeakPolarHBondContact CB-O 3.49Å; V220-L238 PolarHBondContact N-O 2.87Å; V220-L238 PolarHBondContact O-N 3.25Å; V222-L238 HydrophobicContact CG2-CB 4.16Å; V222-L238 HydrophobicContact CG2-CD1 3.79Å; L236-L238 PolarHBondContact O-N 3.2Å |
| 239 | L | 47.6 | Very low | 42.4 | Very low | 4 Ų | 4 | 108.5 Ų | 108.5 | 2% | 0.021 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.5 | 165.2 | -78.5 | 166.9 | 0 | 0 | 0 | 107.4 | V31 T35 I39 L219 G241 F242 I244 | V31-L239 HydrophobicContact CG1-CD1 3.92Å; T35-L239 HydrophobicContact CG2-CD1 3.65Å; T35-L239 HydrophobicContact CG2-CD2 3.39Å; T35-L239 HydrophobicContact CG2-CG 4.17Å; I39-L239 HydrophobicContact CD1-CD1 3.67Å; L219-L239 HydrophobicContact CD1-CD2 4.08Å; L239-G241 PolarHBondContact O-N 3.14Å; L239-F242 HydrophobicContact CB-CB 3.81Å; L239-F242 HydrophobicContact CB-CD2 3.84Å; L239-F242 HydrophobicContact CB-CG 4.19Å; L239-F242 HydrophobicContact CD1-CB 4.38Å; L239-F242 HydrophobicContact CD1-CD2 4.07Å; L239-F242 HydrophobicContact CD1-CG 4.25Å; L239-F242 HydrophobicContact CG-CD2 4.46Å; L239-F242 PolarHBondContact O-N 2.73Å; L239-I244 HydrophobicContact CB-CD1 4.12Å; L239-I244 HydrophobicContact CD1-CD1 4.05Å; L239-I244 HydrophobicContact CG-CD1 4.29Å |
| 240 | K | 42.6 | Very low | 42.7 | Very low | 149 Ų | 149 | 109.3 Ų | 109.3 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 112.6 | 175.3 | -162.4 | 178.2 | -177.2 | -177.5 | 0 | 107.7 | K218 V220 | K218-K240 PolarHBondContact O-N 3.08Å; V220-K240 HydrophobicContact CG2-CB 4.38Å |
| 241 | G | 46.1 | Very low | 42.5 | Very low | 36 Ų | 36 | 101.7 Ų | 101.7 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.6 | -11.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y50 L239 | Y50-G241 WeakPolarHBondContact CE1-O 3.36Å; L239-G241 PolarHBondContact O-N 3.14Å |
| 242 | F | 48.1 | Very low | 42.3 | Very low | 15 Ų | 15 | 93.4 Ų | 93.4 | 7% | 0.066 | 49% | 0.49 | C | S | . | . | trans | -108 | 123.8 | 171.2 | -74.5 | -92 | 0 | 0 | 0 | 109.6 | T30 V31 L34 Y50 A217 L239 I244 | T30-F242 HydrophobicContact CG2-CE1 4.39Å; T30-F242 HydrophobicContact CG2-CZ 4.2Å; V31-F242 HydrophobicContact CG2-CD1 3.38Å; V31-F242 HydrophobicContact CG2-CE1 3.1Å; V31-F242 HydrophobicContact CG2-CE2 4.29Å; V31-F242 HydrophobicContact CG2-CG 4.1Å; V31-F242 HydrophobicContact CG2-CZ 3.61Å; L34-F242 HydrophobicContact CD1-CE2 3.81Å; L34-F242 HydrophobicContact CD1-CZ 3.44Å; L34-F242 VanDerWaalsContact CD1-CZ 3.44Å; Y50-F242 HydrophobicContact CD1-CD2 4.19Å; Y50-F242 HydrophobicContact CD1-CE1 4.02Å; Y50-F242 AromaticContact CD1-CE2 3.37Å; Y50-F242 HydrophobicContact CD1-CE2 3.37Å; Y50-F242 AromaticContact CD1-CZ 3.25Å; Y50-F242 HydrophobicContact CD1-CZ 3.25Å; Y50-F242 HydrophobicContact CD2-CE1 4.04Å; Y50-F242 AromaticContact CD2-CZ 3.67Å; Y50-F242 HydrophobicContact CD2-CZ 3.67Å; Y50-F242 AromaticContact CE1-CD1 3.92Å; Y50-F242 HydrophobicContact CE1-CD1 3.92Å; Y50-F242 AromaticContact CE1-CD2 3.8Å; Y50-F242 HydrophobicContact CE1-CD2 3.8Å; Y50-F242 AromaticContact CE1-CE1 3.47Å; Y50-F242 HydrophobicContact CE1-CE1 3.47Å; Y50-F242 VanDerWaalsContact CE1-CE1 3.47Å; Y50-F242 AromaticContact CE1-CE2 3.36Å; Y50-F242 HydrophobicContact CE1-CE2 3.36Å; Y50-F242 HydrophobicContact CE1-CG 4.06Å; Y50-F242 AromaticContact CE1-CZ 3.16Å; Y50-F242 HydrophobicContact CE1-CZ 3.16Å; Y50-F242 HydrophobicContact CE2-CD1 4.38Å; Y50-F242 AromaticContact CE2-CE1 3.45Å; Y50-F242 HydrophobicContact CE2-CE1 3.45Å; Y50-F242 VanDerWaalsContact CE2-CE1 3.45Å; Y50-F242 AromaticContact CE2-CZ 3.55Å; Y50-F242 HydrophobicContact CE2-CZ 3.55Å; Y50-F242 HydrophobicContact CG-CE1 4.27Å; Y50-F242 HydrophobicContact CG-CE2 4.02Å; Y50-F242 AromaticContact CG-CZ 3.5Å; Y50-F242 HydrophobicContact CG-CZ 3.5Å; Y50-F242 VanDerWaalsContact CG-CZ 3.5Å; Y50-F242 AromaticContact CZ-CD1 3.67Å; Y50-F242 AromaticContact CZ-CE1 3.12Å; Y50-F242 AromaticContact CZ-CE2 3.98Å; Y50-F242 AromaticContact CZ-CZ 3.3Å; Y50-F242 WeakPolarHBondContact OH-CD1 3.38Å; Y50-F242 WeakPolarHBondContact OH-CE1 3.28Å; A217-F242 HydrophobicContact CB-CE2 3.86Å; L239-F242 HydrophobicContact CB-CB 3.81Å; L239-F242 HydrophobicContact CB-CD2 3.84Å; L239-F242 HydrophobicContact CB-CG 4.19Å; L239-F242 HydrophobicContact CD1-CB 4.38Å; L239-F242 HydrophobicContact CD1-CD2 4.07Å; L239-F242 HydrophobicContact CD1-CG 4.25Å; L239-F242 HydrophobicContact CG-CD2 4.46Å; L239-F242 PolarHBondContact O-N 2.73Å; F242-I244 VanDerWaalsContact C-N 3.35Å; F242-I244 HydrophobicContact CB-CD1 4.48Å; F242-I244 HydrophobicContact CB-CG1 4.05Å; F242-I244 PolarHBondContact O-N 2.83Å; F242-I244 VanDerWaalsContact O-N 3.11Å | ||
| 243 | K | 49.6 | Very low | 42.3 | Very low | 118 Ų | 118 | 80.9 Ų | 80.9 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | trans | -81.9 | 88.8 | 169.7 | -153.9 | 173.8 | 176.8 | -166.6 | 0 | 107.8 | D43 L46 F245 | D43-K243 HydrophobicContact CB-CB 4.31Å; D43-K243 PolarHBondContact N-O 3.07Å; D43-K243 IonicContact OD2-NZ 3.92Å; L46-K243 HydrophobicContact CD2-CB 4.03Å; K243-F245 HydrophobicContact CD-CE2 4.43Å; K243-F245 HydrophobicContact CD-CZ 4.16Å; K243-F245 HydrophobicContact CG-CE2 4.33Å; K243-F245 HydrophobicContact CG-CZ 4.25Å | ||
| 244 | I | 51.1 | Low | 42.9 | Very low | 52 Ų | 52 | 81.3 Ų | 81.3 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | trans | -87.7 | 124.4 | 172.7 | -54.1 | 164.3 | 0 | 0 | 0 | 106.1 | I39 L239 F242 | I39-I244 HydrophobicContact CD1-CD1 3.75Å; I39-I244 HydrophobicContact CG2-CG2 3.84Å; L239-I244 HydrophobicContact CB-CD1 4.12Å; L239-I244 HydrophobicContact CD1-CD1 4.05Å; L239-I244 HydrophobicContact CG-CD1 4.29Å; F242-I244 VanDerWaalsContact C-N 3.35Å; F242-I244 HydrophobicContact CB-CD1 4.48Å; F242-I244 HydrophobicContact CB-CG1 4.05Å; F242-I244 PolarHBondContact O-N 2.83Å; F242-I244 VanDerWaalsContact O-N 3.11Å | ||
| 245 | F | 46.1 | Very low | 43.8 | Very low | 158 Ų | 158 | 81.3 Ų | 81.3 | 69% | 0.693 | 42% | 0.418 | S | S | * | . | trans | -90.6 | 0 | 170.1 | -71.9 | -75.3 | 0 | 0 | 0 | 110.4 | E41 D43 K243 | E41-F245 VanDerWaalsContact CB-O 3.29Å; E41-F245 WeakPolarHBondContact CB-O 3.43Å; D43-F245 HydrophobicContact CB-CD2 4.05Å; D43-F245 HydrophobicContact CB-CE2 3.63Å; D43-F245 WeakPolarHBondContact OD2-CE2 3.49Å; K243-F245 HydrophobicContact CD-CE2 4.43Å; K243-F245 HydrophobicContact CD-CZ 4.16Å; K243-F245 HydrophobicContact CG-CE2 4.33Å; K243-F245 HydrophobicContact CG-CZ 4.25Å |
Retrieved 245 of 245 residues in 50 ms
(Link to these results)