| 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 | 36.8 | Very low | 67.5 | Low | 243 Ų | 243 | 101.9 Ų | 101.9 | 100% | 1.197 | 56% | 0.555 | S | S | * | * | 0 | 94.5 | 0 | -76.2 | 173.2 | 176.9 | 0 | 0 | 104.7 | D3 | M1-D3 PolarHBondContact O-N 3.08Š| |||
| 2 | E | 36.7 | Very low | 70 | Confident | 185 Ų | 185 | 93.4 Ų | 93.4 | 86% | 0.864 | 51% | 0.509 | S | S | * | . | trans | -63.3 | 119.6 | 173 | -74.6 | 168.1 | 161.9 | 0 | 0 | 106.6 | N4 | E2-N4 VanDerWaalsContact C-N 3.32Å; E2-N4 PolarHBondContact O-N 2.71Å | ||
| 3 | D | 39.7 | Very low | 72.2 | Confident | 153 Ų | 153 | 86.6 Ų | 86.6 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | trans | -62.7 | 99.4 | 169.6 | -169.7 | 19.9 | 0 | 0 | 0 | 106 | M1 G5 | M1-D3 PolarHBondContact O-N 3.08Å; D3-G5 PolarHBondContact O-N 3.09Å | ||
| 4 | N | 40.7 | Very low | 74.1 | Confident | 155 Ų | 155 | 80.4 Ų | 80.4 | 83% | 0.829 | 44% | 0.438 | S | S | * | . | trans | -66 | 77.2 | 164.8 | -102.4 | -5.2 | 0 | 0 | 0 | 105.9 | E2 A6 | E2-N4 VanDerWaalsContact C-N 3.32Å; E2-N4 PolarHBondContact O-N 2.71Å; N4-A6 PolarHBondContact O-N 2.84Å | ||
| 5 | G | 50.5 | Low | 75.7 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | trans | -54.1 | 112.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | D3 H7 | D3-G5 PolarHBondContact O-N 3.09Å; G5-H7 PolarHBondContact O-N 2.88Å; G5-H7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | A | 64.1 | Low | 77.2 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 70% | 0.702 | 39% | 0.386 | S | S | * | . | trans | -55.9 | 122.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | N4 F8 | N4-A6 PolarHBondContact O-N 2.84Å; A6-F8 PolarHBondContact O-N 3Å | ||
| 7 | H | 88.3 | Confident | 78.4 | Confident | 144 Ų | 144 | 67.4 Ų | 67.4 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | trans | -48.9 | 130.3 | 176.5 | 178.2 | -95.1 | 0 | 0 | 0 | 110.1 | G5 E247 F250 | G5-H7 PolarHBondContact O-N 2.88Å; G5-H7 VanDerWaalsContact O-N 3.16Å; H7-E247 IonicContact CE1-OE1 2.8Å; H7-E247 PolarHBondContact CE1-OE1 3.46Å; H7-F250 AromaticContact ND1-CZ 3.69Å; H7-F250 VanDerWaalsContact O-CE1 3.25Å; H7-F250 WeakPolarHBondContact O-CE1 3.43Å | ||
| 8 | F | 94.9 | Very high | 79.6 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | trans | -148.6 | 136.1 | 179.2 | 171.2 | -95.4 | 0 | 0 | 0 | 110.3 | A6 E10 M118 K119 H122 F250 | A6-F8 PolarHBondContact O-N 3Å; F8-E10 HydrophobicContact CE1-CB 3.93Å; F8-E10 HydrophobicContact CZ-CB 4.12Å; F8-M118 HydrophobicContact CE2-CB 4.17Å; F8-M118 HydrophobicContact CE2-SD 4.5Å; F8-M118 HydrophobicContact CZ-CB 4.02Å; F8-K119 HydrophobicContact CD1-CB 4.48Å; F8-K119 HydrophobicContact CD1-CD 3.78Å; F8-K119 HydrophobicContact CD1-CG 4.38Å; F8-K119 HydrophobicContact CD2-CD 3.94Å; F8-K119 HydrophobicContact CD2-CG 4.4Å; F8-K119 HydrophobicContact CE1-CB 3.74Å; F8-K119 HydrophobicContact CE1-CD 3.79Å; F8-K119 HydrophobicContact CE1-CG 3.88Å; F8-K119 HydrophobicContact CE2-CD 3.96Å; F8-K119 HydrophobicContact CE2-CG 3.91Å; F8-K119 HydrophobicContact CG-CD 3.84Å; F8-K119 HydrophobicContact CZ-CB 3.79Å; F8-K119 HydrophobicContact CZ-CD 3.89Å; F8-K119 HydrophobicContact CZ-CG 3.63Å; F8-H122 AromaticContact CD1-ND1 3.62Å; F8-F250 HydrophobicContact CB-CE1 4.46Å; F8-F250 HydrophobicContact CD2-CB 3.95Å; F8-F250 AromaticContact CD2-CD1 3.69Å; F8-F250 HydrophobicContact CD2-CD1 3.69Å; F8-F250 HydrophobicContact CD2-CE1 4.38Å; F8-F250 AromaticContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CE2-CB 3.78Å; F8-F250 HydrophobicContact CE2-CD1 4.39Å; F8-F250 HydrophobicContact CE2-CG 4.08Å | ||
| 9 | F | 96.3 | Very high | 80.5 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 23% | 0.228 | 33% | 0.332 | C | S | . | . | trans | -127 | 132.6 | 172.1 | -179.1 | -93.3 | 0 | 0 | 0 | 109.8 | G11 E67 C82 T245 F250 | F9-G11 PolarHBondContact O-N 2.68Å; F9-E67 WeakPolarHBondContact CE2-OE2 3.48Å; F9-E67 WeakPolarHBondContact CZ-OE2 3.1Å; F9-C82 HydrophobicContact CE1-CB 4.39Å; F9-C82 HydrophobicContact CZ-CB 4.32Å; F9-T245 HydrophobicContact CD1-CG2 3.81Å; F9-F250 HydrophobicContact CB-CD2 4.38Å; F9-F250 HydrophobicContact CB-CE2 3.78Å; F9-F250 HydrophobicContact CB-CZ 4.44Å; F9-F250 VanDerWaalsContact O-CD2 3.26Å; F9-F250 WeakPolarHBondContact O-CD2 3.47Å | ||
| 10 | E | 97.9 | Very high | 81.3 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | trans | -84.2 | 94.4 | 176.8 | -174.3 | 68.5 | -116.4 | 0 | 0 | 109.6 | F8 T12 G83 F117 M118 K119 | F8-E10 HydrophobicContact CE1-CB 3.93Å; F8-E10 HydrophobicContact CZ-CB 4.12Å; E10-T12 PolarHBondContact O-N 3.48Å; E10-T12 WeakPolarHBondContact OE1-CB 3.39Å; E10-T12 PolarHBondContact OE1-OG1 2.64Å; E10-G83 WeakPolarHBondContact O-CA 3.28Å; E10-G83 PolarHBondContact O-N 2.84Å; E10-F117 HydrophobicContact CG-CD1 3.78Å; E10-F117 HydrophobicContact CG-CE1 4.47Å; E10-F117 HydrophobicContact CG-CG 4.48Å; E10-M118 VanDerWaalsContact CD-N 3.33Å; E10-M118 PolarHBondContact OE1-N 2.63Å; E10-M118 PolarHBondContact OE2-N 2.96Å; E10-K119 PolarHBondContact OE2-N 3.08Å | ||
| 11 | G | 96.9 | Very high | 81.9 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -67.1 | -21.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F9 E13 T245 Y252 | F9-G11 PolarHBondContact O-N 2.68Å; G11-E13 PolarHBondContact O-N 2.91Å; G11-T245 WeakPolarHBondContact CA-OG1 3.25Å; G11-Y252 WeakPolarHBondContact O-CD1 3.37Å; G11-Y252 WeakPolarHBondContact O-CE1 3.46Å | ||
| 12 | T | 97.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 123 | 177.9 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | E10 K115 F117 | E10-T12 PolarHBondContact O-N 3.48Å; E10-T12 WeakPolarHBondContact OE1-CB 3.39Å; E10-T12 PolarHBondContact OE1-OG1 2.64Å; T12-K115 HydrophobicContact CG2-CB 3.81Å; T12-F117 HydrophobicContact CG2-CD1 4.04Å; T12-F117 HydrophobicContact CG2-CE1 4.43Å |
| 13 | E | 98.1 | Very high | 87 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 158.9 | -173.9 | -60.7 | 142.3 | 134.4 | 0 | 0 | 113.6 | G11 S68 K80 T81 C82 R114 H243 S254 | G11-E13 PolarHBondContact O-N 2.91Å; E13-S68 PolarHBondContact OE1-OG 3.38Å; E13-K80 HydrophobicContact CB-CD 4.09Å; E13-K80 HydrophobicContact CB-CG 3.66Å; E13-K80 VanDerWaalsContact CD-CD 3.5Å; E13-K80 HydrophobicContact CG-CD 4.16Å; E13-K80 HydrophobicContact CG-CG 3.93Å; E13-K80 WeakPolarHBondContact OE1-CD 3.24Å; E13-K80 WeakPolarHBondContact OE2-CE 3.47Å; E13-K80 IonicContact OE2-NZ 3.72Å; E13-K80 PolarHBondContact OE2-NZ 2.96Å; E13-T81 CarbonylContact C-O 3.56Å; E13-T81 VanDerWaalsContact CA-O 3.32Å; E13-T81 WeakPolarHBondContact CA-O 3.45Å; E13-C82 HydrophobicContact CG-CB 3.94Å; E13-R114 WeakPolarHBondContact O-CB 3.37Å; E13-H243 IonicContact OE1-CD2 2.64Å; E13-H243 PolarHBondContact OE1-CD2 2.9Å; E13-H243 IonicContact OE1-CG 2.91Å; E13-H243 IonicContact OE1-NE2 2.76Å; E13-S254 PolarHBondContact OE1-OG 2.9Å; E13-S254 WeakPolarHBondContact OE2-CB 3.37Å; E13-S254 PolarHBondContact OE2-OG 3.37Å |
| 14 | K | 98.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.2 | 161.5 | -54.3 | 174.3 | -173.7 | 81.2 | 0 | 107.2 | K80 T81 G83 T85 L87 Y112 F117 Q123 | K14-K80 VanDerWaalsContact O-CA 3.32Å; K14-K80 WeakPolarHBondContact O-CA 3.25Å; K14-T81 PolarHBondContact N-O 3.41Å; K14-T81 PolarHBondContact O-N 2.95Å; K14-G83 PolarHBondContact NZ-O 2.77Å; K14-T85 WeakPolarHBondContact CE-O 3.46Å; K14-T85 PolarHBondContact NZ-O 2.91Å; K14-L87 HydrophobicContact CB-CB 4.03Å; K14-L87 HydrophobicContact CB-CD1 3.83Å; K14-L87 HydrophobicContact CB-CG 4.42Å; K14-L87 HydrophobicContact CD-CB 3.96Å; K14-L87 VanDerWaalsContact O-CD1 3.28Å; K14-L87 WeakPolarHBondContact O-CD1 3.46Å; K14-Y112 HydrophobicContact CB-CE2 4.22Å; K14-F117 HydrophobicContact CG-CE1 4.32Å; K14-F117 HydrophobicContact CG-CZ 4.06Å; K14-Q123 VanDerWaalsContact CE-OE1 3.3Å |
| 15 | L | 98.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.3 | -177.7 | 177.6 | 62.4 | 0 | 0 | 0 | 110.2 | I78 K80 Y112 S113 | L15-I78 HydrophobicContact CD1-CG2 3.74Å; L15-K80 HydrophobicContact CB-CG 4.48Å; L15-K80 HydrophobicContact CD1-CB 4Å; L15-K80 HydrophobicContact CD1-CD 4.15Å; L15-K80 HydrophobicContact CD1-CG 4.11Å; L15-Y112 CarbonylContact O-C 3.48Å; L15-Y112 WeakPolarHBondContact O-CA 3.3Å; L15-Y112 WeakPolarHBondContact O-CD2 3.34Å; L15-S113 PolarHBondContact N-O 2.84Å; L15-S113 PolarHBondContact O-N 3.32Å |
| 16 | L | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.9 | 172.4 | 172.8 | 68 | 0 | 0 | 0 | 109.5 | V18 I78 L79 L87 L91 L94 F110 F111 | L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.36Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; L16-I78 CarbonylContact O-C 3.47Å; L16-I78 WeakPolarHBondContact O-CA 3.27Å; L16-L79 PolarHBondContact N-O 2.97Å; L16-L79 PolarHBondContact O-N 2.71Å; L16-L87 HydrophobicContact CB-CD1 4.27Å; L16-L87 HydrophobicContact CB-CD2 3.52Å; L16-L87 HydrophobicContact CB-CG 4.42Å; L16-L87 HydrophobicContact CD2-CD2 4.1Å; L16-L87 HydrophobicContact CG-CD2 4.36Å; L16-L91 HydrophobicContact CD1-CD1 4.47Å; L16-L91 HydrophobicContact CD2-CD1 4.24Å; L16-L94 HydrophobicContact CD2-CD2 4.18Å; L16-F110 HydrophobicContact CD1-CD2 4.23Å; L16-F110 HydrophobicContact CD1-CE2 3.4Å; L16-F110 VanDerWaalsContact CD1-CE2 3.4Å; L16-F110 HydrophobicContact CD1-CZ 3.56Å; L16-F111 WeakPolarHBondContact CA-O 3.33Å |
| 17 | E | 98.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.1 | 173.9 | -160.8 | 171.5 | 179.6 | 0 | 0 | 110.1 | W19 R76 F77 I78 F110 F111 | E17-W19 HydrophobicContact CB-CH2 4.19Å; E17-W19 HydrophobicContact CB-CZ3 3.77Å; E17-W19 HydrophobicContact CG-CE3 4.03Å; E17-W19 HydrophobicContact CG-CH2 3.35Å; E17-W19 HydrophobicContact CG-CZ2 4.14Å; E17-W19 HydrophobicContact CG-CZ3 3.24Å; E17-W19 WeakPolarHBondContact OE1-CH2 3.46Å; E17-W19 WeakPolarHBondContact OE1-CZ2 3.47Å; E17-R76 HydrophobicContact CG-CG 4.25Å; E17-R76 WeakPolarHBondContact OE1-CD 3.39Å; E17-R76 IonicContact OE1-CZ 2.91Å; E17-R76 IonicContact OE1-NE 2.71Å; E17-R76 IonicContact OE1-NH1 2.64Å; E17-R76 PolarHBondContact OE1-NH1 2.91Å; E17-F77 WeakPolarHBondContact CA-O 3.35Å; E17-I78 HydrophobicContact CB-CG1 4.39Å; E17-I78 HydrophobicContact CG-CD1 4.48Å; E17-I78 HydrophobicContact CG-CG1 3.55Å; E17-F110 WeakPolarHBondContact O-CA 3.43Å; E17-F111 PolarHBondContact N-O 3.33Å; E17-F111 PolarHBondContact O-N 3.3Å |
| 18 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.7 | -175.6 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | L16 F20 R76 F77 L94 I107 F110 | L16-V18 HydrophobicContact CD1-CG2 3.71Å; L16-V18 HydrophobicContact CD2-CG2 4.36Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; V18-F20 HydrophobicContact CB-CD2 4.48Å; V18-F20 HydrophobicContact CB-CE2 3.82Å; V18-F20 HydrophobicContact CB-CZ 4.12Å; V18-F20 HydrophobicContact CG1-CD2 4.1Å; V18-F20 HydrophobicContact CG1-CE1 4.09Å; V18-F20 HydrophobicContact CG1-CE2 3.63Å; V18-F20 HydrophobicContact CG1-CZ 3.62Å; V18-R76 WeakPolarHBondContact O-CA 3.47Å; V18-F77 PolarHBondContact N-O 2.9Å; V18-F77 PolarHBondContact O-N 2.89Å; V18-L94 HydrophobicContact CG2-CD2 4.36Å; V18-I107 HydrophobicContact CG1-CD1 4.36Å; V18-I107 HydrophobicContact CG1-CG1 4.4Å; V18-I107 HydrophobicContact CG1-CG2 4.19Å; V18-F110 HydrophobicContact CG1-CD2 4.36Å; V18-F110 HydrophobicContact CG2-CD2 3.76Å; V18-F110 HydrophobicContact CG2-CE2 4.01Å |
| 19 | W | 97.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.1 | 169.8 | -70.7 | -111.9 | 0 | 0 | 0 | 108.8 | E17 R75 R76 E108 N109 F111 | E17-W19 HydrophobicContact CB-CH2 4.19Å; E17-W19 HydrophobicContact CB-CZ3 3.77Å; E17-W19 HydrophobicContact CG-CE3 4.03Å; E17-W19 HydrophobicContact CG-CH2 3.35Å; E17-W19 HydrophobicContact CG-CZ2 4.14Å; E17-W19 HydrophobicContact CG-CZ3 3.24Å; E17-W19 WeakPolarHBondContact OE1-CH2 3.46Å; E17-W19 WeakPolarHBondContact OE1-CZ2 3.47Å; W19-R75 CarbonylContact C-O 3.5Å; W19-R75 WeakPolarHBondContact CA-O 3.47Å; W19-R76 HydrophobicContact CD2-CG 3.94Å; W19-R76 HydrophobicContact CG-CB 4.37Å; W19-R76 HydrophobicContact CG-CG 4.24Å; W19-R76 VanDerWaalsContact CZ2-CD 3.45Å; W19-R76 HydrophobicContact CZ2-CG 4.17Å; W19-E108 HydrophobicContact CB-CB 4.12Å; W19-E108 HydrophobicContact CB-CG 3.84Å; W19-E108 PolarHBondContact O-N 3.08Å; W19-N109 HydrophobicContact CB-CB 4.12Å; W19-N109 HydrophobicContact CD2-CB 4.2Å; W19-N109 HydrophobicContact CE3-CB 3.89Å; W19-N109 HydrophobicContact CG-CB 4.36Å; W19-N109 PolarHBondContact N-O 3.34Å; W19-N109 PolarHBondContact O-N 3.12Å; W19-F111 HydrophobicContact CE3-CD2 4.42Å; W19-F111 HydrophobicContact CE3-CE2 4.41Å; W19-F111 HydrophobicContact CH2-CD2 4.14Å; W19-F111 HydrophobicContact CH2-CE2 4.05Å; W19-F111 AromaticContact CZ3-CD2 3.54Å; W19-F111 HydrophobicContact CZ3-CD2 3.54Å; W19-F111 AromaticContact CZ3-CE2 3.66Å; W19-F111 HydrophobicContact CZ3-CE2 3.66Å |
| 20 | F | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.9 | -178.5 | -67.8 | -89.1 | 0 | 0 | 0 | 111.3 | V18 L32 R75 F77 L94 L95 A98 F104 | V18-F20 HydrophobicContact CB-CD2 4.48Å; V18-F20 HydrophobicContact CB-CE2 3.82Å; V18-F20 HydrophobicContact CB-CZ 4.12Å; V18-F20 HydrophobicContact CG1-CD2 4.1Å; V18-F20 HydrophobicContact CG1-CE1 4.09Å; V18-F20 HydrophobicContact CG1-CE2 3.63Å; V18-F20 HydrophobicContact CG1-CZ 3.62Å; F20-L32 HydrophobicContact CD2-CD1 3.83Å; F20-L32 HydrophobicContact CD2-CD2 4.02Å; F20-L32 HydrophobicContact CD2-CG 4.4Å; F20-L32 HydrophobicContact CE2-CD1 4.11Å; F20-L32 HydrophobicContact CE2-CD2 4.2Å; F20-L32 HydrophobicContact CG-CD2 4.47Å; F20-R75 PolarHBondContact N-O 2.87Å; F20-R75 PolarHBondContact O-NE 3.4Å; F20-R75 PolarHBondContact O-NH2 2.96Å; F20-F77 HydrophobicContact CE2-CB 4.04Å; F20-L94 HydrophobicContact CZ-CD2 4.26Å; F20-L94 HydrophobicContact CZ-CG 4.1Å; F20-L95 HydrophobicContact CE1-CD2 3.69Å; F20-L95 HydrophobicContact CZ-CD2 4.07Å; F20-A98 HydrophobicContact CD1-CB 3.76Å; F20-A98 HydrophobicContact CE1-CB 3.43Å; F20-A98 VanDerWaalsContact CE1-CB 3.43Å; F20-A98 HydrophobicContact CE2-CB 4.44Å; F20-A98 HydrophobicContact CG-CB 4.38Å; F20-A98 HydrophobicContact CZ-CB 3.8Å; F20-F104 HydrophobicContact CB-CB 3.81Å; F20-F104 HydrophobicContact CB-CD1 3.87Å; F20-F104 HydrophobicContact CB-CD2 3.59Å; F20-F104 HydrophobicContact CB-CE1 4.33Å; F20-F104 HydrophobicContact CB-CE2 4.1Å; F20-F104 HydrophobicContact CB-CG 3.49Å; F20-F104 VanDerWaalsContact CB-CG 3.49Å; F20-F104 HydrophobicContact CB-CZ 4.43Å; F20-F104 HydrophobicContact CD1-CB 3.94Å; F20-F104 HydrophobicContact CD1-CD2 4.45Å; F20-F104 HydrophobicContact CD1-CG 4.42Å; F20-F104 HydrophobicContact CG-CB 4.22Å; F20-F104 HydrophobicContact CG-CD2 4.04Å; F20-F104 HydrophobicContact CG-CG 4.21Å |
| 21 | S | 94.5 | Very high | 94 | Very high | 20 Ų | 20 | 43 Ų | 43 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 164.7 | 172.4 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | F104 D105 A106 | S21-F104 WeakPolarHBondContact O-CA 3.4Å; S21-D105 PolarHBondContact O-N 3.03Å; S21-A106 PolarHBondContact N-O 3.28Å; S21-A106 PolarHBondContact O-N 3.29Å; S21-A106 VanDerWaalsContact O-O 3.1Å; S21-A106 VanDerWaalsContact OG-CB 3.29Å; S21-A106 WeakPolarHBondContact OG-CB 3.34Å; S21-A106 PolarHBondContact OG-O 3.04Å |
| 22 | R | 92.9 | Very high | 94 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | trans | -138.5 | 141 | 174 | 64.8 | -176.2 | -177.6 | 166.7 | 7.9 | 109.9 | E25 K27 G28 G103 F104 D105 | R22-E25 PolarHBondContact NH1-O 3.42Å; R22-E25 PolarHBondContact NH2-O 2.92Å; R22-K27 PolarHBondContact NH1-O 3.11Å; R22-G28 PolarHBondContact NH1-O 2.97Å; R22-G103 WeakPolarHBondContact CB-O 3.29Å; R22-F104 HydrophobicContact CB-CD1 4.09Å; R22-F104 HydrophobicContact CG-CD1 4.4Å; R22-D105 VanDerWaalsContact CA-OD1 3.28Å; R22-D105 WeakPolarHBondContact CA-OD1 3.21Å | ||
| 23 | Q | 86.9 | Confident | 94.1 | Very high | 172 Ų | 172 | 45.9 Ų | 45.9 | 80% | 0.804 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82.1 | -40.3 | 172.6 | -62.7 | -172.7 | 4.4 | 0 | 0 | 111.6 | D105 | Q23-D105 PolarHBondContact N-OD1 3.29Š|
| 24 | D | 85.4 | Confident | 94.1 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -99.1 | 104 | -179.2 | -174.1 | -8.5 | 0 | 0 | 0 | 111 | T26 K27 | D24-T26 PolarHBondContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.47Å; D24-T26 PolarHBondContact OD1-N 3.01Å; D24-T26 PolarHBondContact OD1-OG1 3.22Å; D24-T26 PolarHBondContact OD2-OG1 3.49Å; D24-K27 HydrophobicContact CB-CD 4.26Å; D24-K27 HydrophobicContact CB-CG 4.34Å; D24-K27 PolarHBondContact O-N 3.41Å; D24-K27 VanDerWaalsContact OD2-CE 3.25Å; D24-K27 WeakPolarHBondContact OD2-CE 3.25Å; D24-K27 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 25 | E | 84.8 | Confident | 94.1 | Very high | 151 Ų | 151 | 48.8 Ų | 48.8 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10 | -179.9 | -64.8 | -164 | 155.3 | 0 | 0 | 114.4 | R22 | R22-E25 PolarHBondContact NH1-O 3.42Å; R22-E25 PolarHBondContact NH2-O 2.92Å |
| 26 | T | 84.8 | Confident | 94 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 76% | 0.761 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.1 | 178.4 | 74 | 0 | 0 | 0 | 0 | 113.1 | D24 | D24-T26 PolarHBondContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.47Å; D24-T26 PolarHBondContact OD1-N 3.01Å; D24-T26 PolarHBondContact OD1-OG1 3.22Å; D24-T26 PolarHBondContact OD2-OG1 3.49Å |
| 27 | K | 84.4 | Confident | 94 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -93.7 | 130.9 | 178.8 | -69.2 | -177.9 | -175.6 | 174.3 | 0 | 111.9 | R22 D24 | R22-K27 PolarHBondContact NH1-O 3.11Å; D24-K27 HydrophobicContact CB-CD 4.26Å; D24-K27 HydrophobicContact CB-CG 4.34Å; D24-K27 PolarHBondContact O-N 3.41Å; D24-K27 VanDerWaalsContact OD2-CE 3.25Å; D24-K27 WeakPolarHBondContact OD2-CE 3.25Å; D24-K27 WeakPolarHBondContact OD2-CG 3.42Å |
| 28 | G | 89.1 | Confident | 93.9 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 61 | -176.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R22 G30 | R22-G28 PolarHBondContact NH1-O 2.97Å; G28-G30 VanDerWaalsContact C-N 3.35Å |
| 29 | T | 95.7 | Very high | 93.9 | Very high | 71 Ų | 71 | 61 Ų | 61 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | trans | -77.3 | -21.1 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | D31 T34 Y101 | T29-D31 PolarHBondContact O-N 3.23Å; T29-D31 PolarHBondContact OG1-N 3.25Å; T29-D31 PolarHBondContact OG1-O 2.85Å; T29-T34 WeakPolarHBondContact CB-OG1 3.26Å; T29-T34 HydrophobicContact CG2-CG2 3.88Å; T29-T34 WeakPolarHBondContact CG2-OG1 3.44Å; T29-T34 PolarHBondContact OG1-OG1 3.22Å; T29-Y101 PolarHBondContact N-O 2.82Å; T29-Y101 PolarHBondContact OG1-O 3.3Å | ||
| 30 | G | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 61.9 | 25.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G28 K74 C102 F104 | G28-G30 VanDerWaalsContact C-N 3.35Å; G30-K74 WeakPolarHBondContact O-CE 3.25Å; G30-K74 WeakPolarHBondContact O-CG 3.4Å; G30-C102 WeakPolarHBondContact CA-O 3.22Å; G30-C102 PolarHBondContact N-O 3.42Å; G30-F104 WeakPolarHBondContact O-CZ 3.47Å |
| 31 | D | 97.9 | Very high | 94 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | trans | -147.3 | 110.1 | -176.7 | -165.5 | -30.9 | 0 | 0 | 0 | 111.6 | T29 R33 T34 K74 C102 | T29-D31 PolarHBondContact O-N 3.23Å; T29-D31 PolarHBondContact OG1-N 3.25Å; T29-D31 PolarHBondContact OG1-O 2.85Å; D31-R33 PolarHBondContact O-N 3.29Å; D31-R33 VanDerWaalsContact OD1-CB 3.25Å; D31-R33 WeakPolarHBondContact OD1-CB 3.47Å; D31-R33 WeakPolarHBondContact OD1-CG 3.34Å; D31-R33 IonicContact OD1-CZ 2.99Å; D31-R33 PolarHBondContact OD1-N 3.02Å; D31-R33 IonicContact OD1-NE 2.87Å; D31-R33 PolarHBondContact OD1-NE 3.3Å; D31-R33 IonicContact OD1-NH2 2.87Å; D31-R33 IonicContact OD2-CZ 3.21Å; D31-R33 IonicContact OD2-NE 3.9Å; D31-R33 PolarHBondContact OD2-NE 3.17Å; D31-R33 IonicContact OD2-NH2 3.34Å; D31-R33 PolarHBondContact OD2-NH2 3.5Å; D31-T34 HydrophobicContact CB-CG2 4.13Å; D31-T34 PolarHBondContact O-N 3.34Å; D31-T34 PolarHBondContact O-OG1 3.03Å; D31-K74 WeakPolarHBondContact CA-O 3.4Å; D31-K74 HydrophobicContact CB-CG 4.02Å; D31-K74 WeakPolarHBondContact OD1-CA 3.38Å; D31-C102 PolarHBondContact O-SG 3.25Å; D31-C102 VanDerWaalsContact O-SG 3.37Å | ||
| 32 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -56.9 | -25.3 | -179.6 | -61.5 | 171.2 | 0 | 0 | 0 | 113.3 | F20 T34 I35 V72 S73 K74 F77 A98 C102 F104 | F20-L32 HydrophobicContact CD2-CD1 3.83Å; F20-L32 HydrophobicContact CD2-CD2 4.02Å; F20-L32 HydrophobicContact CD2-CG 4.4Å; F20-L32 HydrophobicContact CE2-CD1 4.11Å; F20-L32 HydrophobicContact CE2-CD2 4.2Å; F20-L32 HydrophobicContact CG-CD2 4.47Å; L32-T34 PolarHBondContact O-N 3.39Å; L32-I35 HydrophobicContact CD2-CD1 4.17Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 WeakPolarHBondContact O-CG1 3.49Å; L32-I35 PolarHBondContact O-N 3.29Å; L32-I35 VanDerWaalsContact O-N 3.1Å; L32-V72 HydrophobicContact CB-CG1 3.56Å; L32-S73 WeakPolarHBondContact CB-O 3.35Å; L32-K74 PolarHBondContact N-O 3.36Å; L32-F77 HydrophobicContact CD1-CB 3.97Å; L32-A98 HydrophobicContact CD2-CB 3.92Å; L32-C102 VanDerWaalsContact CA-SG 3.58Å; L32-F104 HydrophobicContact CD2-CD2 3.73Å; L32-F104 HydrophobicContact CD2-CE2 3.66Å; L32-F104 HydrophobicContact CG-CD2 4.35Å; L32-F104 HydrophobicContact CG-CE2 3.79Å |
| 33 | R | 98.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -70.2 | -9.8 | -178.9 | -56.8 | 171.6 | -67 | 172.1 | 2.7 | 112.7 | D31 I35 D58 E61 V72 | D31-R33 PolarHBondContact O-N 3.29Å; D31-R33 VanDerWaalsContact OD1-CB 3.25Å; D31-R33 WeakPolarHBondContact OD1-CB 3.47Å; D31-R33 WeakPolarHBondContact OD1-CG 3.34Å; D31-R33 IonicContact OD1-CZ 2.99Å; D31-R33 PolarHBondContact OD1-N 3.02Å; D31-R33 IonicContact OD1-NE 2.87Å; D31-R33 PolarHBondContact OD1-NE 3.3Å; D31-R33 IonicContact OD1-NH2 2.87Å; D31-R33 IonicContact OD2-CZ 3.21Å; D31-R33 IonicContact OD2-NE 3.9Å; D31-R33 PolarHBondContact OD2-NE 3.17Å; D31-R33 IonicContact OD2-NH2 3.34Å; D31-R33 PolarHBondContact OD2-NH2 3.5Å; R33-I35 VanDerWaalsContact C-N 3.33Å; R33-D58 PolarHBondContact NH1-O 2.92Å; R33-E61 HydrophobicContact CG-CG 4.2Å; R33-V72 HydrophobicContact CG-CG1 4.05Å |
| 34 | T | 97.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -84 | -9.4 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | T29 D31 L32 P36 | T29-T34 WeakPolarHBondContact CB-OG1 3.26Å; T29-T34 HydrophobicContact CG2-CG2 3.88Å; T29-T34 WeakPolarHBondContact CG2-OG1 3.44Å; T29-T34 PolarHBondContact OG1-OG1 3.22Å; D31-T34 HydrophobicContact CB-CG2 4.13Å; D31-T34 PolarHBondContact O-N 3.34Å; D31-T34 PolarHBondContact O-OG1 3.03Å; L32-T34 PolarHBondContact O-N 3.39Å; T34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | I | 98.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63 | 124.6 | 172.9 | -67.3 | 166.4 | 0 | 0 | 0 | 108 | L32 R33 E39 W40 L97 Y101 | L32-I35 HydrophobicContact CD2-CD1 4.17Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 WeakPolarHBondContact O-CG1 3.49Å; L32-I35 PolarHBondContact O-N 3.29Å; L32-I35 VanDerWaalsContact O-N 3.1Å; R33-I35 VanDerWaalsContact C-N 3.33Å; I35-E39 HydrophobicContact CG2-CB 3.82Å; I35-E39 HydrophobicContact CG2-CG 4.42Å; I35-W40 HydrophobicContact CB-CH2 4.22Å; I35-W40 HydrophobicContact CB-CZ2 3.51Å; I35-W40 HydrophobicContact CD1-CH2 3.4Å; I35-W40 HydrophobicContact CD1-CZ2 3.47Å; I35-W40 VanDerWaalsContact CD1-CZ2 3.47Å; I35-W40 HydrophobicContact CD1-CZ3 4.38Å; I35-W40 HydrophobicContact CG1-CH2 4.38Å; I35-W40 HydrophobicContact CG1-CZ2 4.04Å; I35-W40 HydrophobicContact CG2-CD2 4Å; I35-W40 HydrophobicContact CG2-CE3 4.42Å; I35-W40 HydrophobicContact CG2-CH2 4.1Å; I35-W40 HydrophobicContact CG2-CZ2 3.65Å; I35-W40 HydrophobicContact CG2-CZ3 4.46Å; I35-W40 PolarHBondContact O-NE1 3.09Å; I35-L97 HydrophobicContact CD1-CB 4.13Å; I35-Y101 HydrophobicContact CG1-CD2 4.37Å; I35-Y101 HydrophobicContact CG1-CG 4.09Å |
| 36 | P | 98.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -61.1 | 145.8 | -177.9 | -25 | 34.5 | 0 | 0 | 0 | 112.6 | T34 F38 E39 W40 Y101 | T34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-F38 HydrophobicContact CB-CD1 3.5Å; P36-F38 HydrophobicContact CB-CE1 3.24Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.94Å; P36-F38 HydrophobicContact CG-CD1 4.5Å; P36-F38 HydrophobicContact CG-CE1 3.77Å; P36-F38 HydrophobicContact CG-CZ 4.13Å; P36-F38 PolarHBondContact O-N 2.98Å; P36-F38 VanDerWaalsContact O-N 3.15Å; P36-E39 HydrophobicContact CB-CG 4.44Å; P36-E39 HydrophobicContact CG-CG 4.5Å; P36-E39 WeakPolarHBondContact O-CB 3.38Å; P36-E39 PolarHBondContact O-N 3.5Å; P36-W40 PolarHBondContact O-N 2.66Å; P36-Y101 HydrophobicContact CG-CD1 4.34Å; P36-Y101 HydrophobicContact CG-CE1 3.64Å | ||
| 37 | R | 97.7 | Very high | 95.8 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -50.3 | -41.5 | 177.6 | 169.7 | 58 | -166.6 | -84.7 | -7.6 | 113.4 | E39 W40 D41 I51 | R37-E39 PolarHBondContact O-N 3.16Å; R37-W40 WeakPolarHBondContact O-CA 3.29Å; R37-W40 WeakPolarHBondContact O-CB 3.49Å; R37-W40 PolarHBondContact O-N 3.06Å; R37-D41 IonicContact CZ-OD1 2.83Å; R37-D41 VanDerWaalsContact CZ-OD1 3.25Å; R37-D41 IonicContact CZ-OD2 3.15Å; R37-D41 VanDerWaalsContact NE-CG 3.28Å; R37-D41 IonicContact NE-OD1 3.72Å; R37-D41 PolarHBondContact NE-OD1 2.88Å; R37-D41 IonicContact NE-OD2 3.4Å; R37-D41 PolarHBondContact NE-OD2 3.37Å; R37-D41 VanDerWaalsContact NE-OD2 3.09Å; R37-D41 IonicContact NH2-OD1 2.81Å; R37-D41 PolarHBondContact NH2-OD1 3.04Å; R37-D41 IonicContact NH2-OD2 3.32Å; R37-D41 PolarHBondContact O-N 3.29Å; R37-I51 VanDerWaalsContact NE-CD1 3.31Å |
| 38 | F | 98.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 51 Ų | 51 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -24.8 | -178.7 | 72.9 | -98 | 0 | 0 | 0 | 113.3 | P36 K42 | P36-F38 HydrophobicContact CB-CD1 3.5Å; P36-F38 HydrophobicContact CB-CE1 3.24Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.94Å; P36-F38 HydrophobicContact CG-CD1 4.5Å; P36-F38 HydrophobicContact CG-CE1 3.77Å; P36-F38 HydrophobicContact CG-CZ 4.13Å; P36-F38 PolarHBondContact O-N 2.98Å; P36-F38 VanDerWaalsContact O-N 3.15Å; F38-K42 WeakPolarHBondContact O-CG 3.21Å; F38-K42 PolarHBondContact O-N 3.28Å; F38-K42 VanDerWaalsContact O-N 3.12Å |
| 39 | E | 98.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.6 | -35.9 | 173.5 | -60.4 | -66.5 | -159.7 | 0 | 0 | 110.9 | I35 P36 R37 K42 L43 L97 Y101 | I35-E39 HydrophobicContact CG2-CB 3.82Å; I35-E39 HydrophobicContact CG2-CG 4.42Å; P36-E39 HydrophobicContact CB-CG 4.44Å; P36-E39 HydrophobicContact CG-CG 4.5Å; P36-E39 WeakPolarHBondContact O-CB 3.38Å; P36-E39 PolarHBondContact O-N 3.5Å; R37-E39 PolarHBondContact O-N 3.16Å; E39-K42 PolarHBondContact O-N 3.38Å; E39-K42 IonicContact OE1-NZ 3.7Å; E39-K42 WeakPolarHBondContact OE2-CD 3.44Å; E39-K42 IonicContact OE2-NZ 3.25Å; E39-K42 PolarHBondContact OE2-NZ 3.37Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.23Å; E39-L97 HydrophobicContact CB-CD1 4.11Å; E39-L97 HydrophobicContact CB-CD2 3.88Å; E39-L97 HydrophobicContact CG-CD2 4.03Å; E39-Y101 HydrophobicContact CG-CE2 3.91Å; E39-Y101 WeakPolarHBondContact CG-OH 3.46Å; E39-Y101 PolarHBondContact OE1-OH 2.96Å |
| 40 | W | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 170.4 | -61.6 | 133.9 | 0 | 0 | 0 | 112.1 | I35 P36 R37 L43 L44 I51 M70 V72 F77 L94 L97 | I35-W40 HydrophobicContact CB-CH2 4.22Å; I35-W40 HydrophobicContact CB-CZ2 3.51Å; I35-W40 HydrophobicContact CD1-CH2 3.4Å; I35-W40 HydrophobicContact CD1-CZ2 3.47Å; I35-W40 VanDerWaalsContact CD1-CZ2 3.47Å; I35-W40 HydrophobicContact CD1-CZ3 4.38Å; I35-W40 HydrophobicContact CG1-CH2 4.38Å; I35-W40 HydrophobicContact CG1-CZ2 4.04Å; I35-W40 HydrophobicContact CG2-CD2 4Å; I35-W40 HydrophobicContact CG2-CE3 4.42Å; I35-W40 HydrophobicContact CG2-CH2 4.1Å; I35-W40 HydrophobicContact CG2-CZ2 3.65Å; I35-W40 HydrophobicContact CG2-CZ3 4.46Å; I35-W40 PolarHBondContact O-NE1 3.09Å; P36-W40 PolarHBondContact O-N 2.66Å; R37-W40 WeakPolarHBondContact O-CA 3.29Å; R37-W40 WeakPolarHBondContact O-CB 3.49Å; R37-W40 PolarHBondContact O-N 3.06Å; W40-L43 HydrophobicContact CE3-CD1 4.42Å; W40-L43 HydrophobicContact CZ3-CD1 4.24Å; W40-L43 PolarHBondContact O-N 2.64Å; W40-L44 WeakPolarHBondContact O-CB 3.37Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.47Å; W40-L44 PolarHBondContact O-N 2.88Å; W40-I51 HydrophobicContact CB-CD1 4.05Å; W40-M70 HydrophobicContact CB-CE 4.16Å; W40-M70 HydrophobicContact CD2-CE 4.26Å; W40-M70 HydrophobicContact CE3-SD 4.44Å; W40-M70 HydrophobicContact CG-CE 4.06Å; W40-V72 HydrophobicContact CZ2-CG1 4.11Å; W40-V72 HydrophobicContact CZ2-CG2 4.18Å; W40-F77 HydrophobicContact CE3-CE2 4.36Å; W40-F77 HydrophobicContact CH2-CD2 4.12Å; W40-F77 AromaticContact CH2-CE2 3.95Å; W40-F77 HydrophobicContact CH2-CE2 3.95Å; W40-F77 HydrophobicContact CZ3-CD2 4.35Å; W40-F77 AromaticContact CZ3-CE2 3.74Å; W40-F77 HydrophobicContact CZ3-CE2 3.74Å; W40-F77 HydrophobicContact CZ3-CZ 4.5Å; W40-L94 HydrophobicContact CH2-CD1 4.09Å; W40-L94 HydrophobicContact CZ3-CD1 3.88Å; W40-L97 HydrophobicContact CE3-CD1 4.42Å; W40-L97 HydrophobicContact CZ3-CD1 4.22Å |
| 41 | D | 97.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.3 | -65.6 | -46.9 | 0 | 0 | 0 | 111 | R37 L43 L44 E45 | R37-D41 IonicContact CZ-OD1 2.83Å; R37-D41 VanDerWaalsContact CZ-OD1 3.25Å; R37-D41 IonicContact CZ-OD2 3.15Å; R37-D41 VanDerWaalsContact NE-CG 3.28Å; R37-D41 IonicContact NE-OD1 3.72Å; R37-D41 PolarHBondContact NE-OD1 2.88Å; R37-D41 IonicContact NE-OD2 3.4Å; R37-D41 PolarHBondContact NE-OD2 3.37Å; R37-D41 VanDerWaalsContact NE-OD2 3.09Å; R37-D41 IonicContact NH2-OD1 2.81Å; R37-D41 PolarHBondContact NH2-OD1 3.04Å; R37-D41 IonicContact NH2-OD2 3.32Å; R37-D41 PolarHBondContact O-N 3.29Å; D41-L43 PolarHBondContact O-N 3.48Å; D41-L44 PolarHBondContact O-N 3.04Å; D41-E45 WeakPolarHBondContact O-CB 3.31Å; D41-E45 PolarHBondContact O-N 3.21Å |
| 42 | K | 97.6 | Very high | 96.3 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 45% | 0.452 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.7 | -69.8 | 175.9 | -162 | 159.3 | 0 | 112.9 | F38 E39 L44 E45 N46 | F38-K42 WeakPolarHBondContact O-CG 3.21Å; F38-K42 PolarHBondContact O-N 3.28Å; F38-K42 VanDerWaalsContact O-N 3.12Å; E39-K42 PolarHBondContact O-N 3.38Å; E39-K42 IonicContact OE1-NZ 3.7Å; E39-K42 WeakPolarHBondContact OE2-CD 3.44Å; E39-K42 IonicContact OE2-NZ 3.25Å; E39-K42 PolarHBondContact OE2-NZ 3.37Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.35Å; K42-E45 PolarHBondContact O-N 2.89Å; K42-N46 VanDerWaalsContact O-CG 3.29Å; K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-ND2 3.41Å |
| 43 | L | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | -179.9 | 178.3 | 146.2 | 0 | 0 | 0 | 111.2 | E39 W40 D41 A90 P93 L94 L97 | E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.23Å; W40-L43 HydrophobicContact CE3-CD1 4.42Å; W40-L43 HydrophobicContact CZ3-CD1 4.24Å; W40-L43 PolarHBondContact O-N 2.64Å; D41-L43 PolarHBondContact O-N 3.48Å; L43-A90 HydrophobicContact CD2-CB 3.95Å; L43-A90 HydrophobicContact CG-CB 4.2Å; L43-P93 HydrophobicContact CD1-CB 4.39Å; L43-L94 HydrophobicContact CD1-CB 3.91Å; L43-L94 HydrophobicContact CD1-CD1 4.46Å; L43-L97 HydrophobicContact CB-CD1 4.36Å; L43-L97 HydrophobicContact CD1-CD1 3.76Å |
| 44 | L | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.2 | -35.1 | -179.3 | -68.3 | 168.7 | 0 | 0 | 0 | 112.2 | W40 D41 K42 N46 V47 H48 C49 I51 L65 M70 L79 | W40-L44 WeakPolarHBondContact O-CB 3.37Å; W40-L44 VanDerWaalsContact O-CG 3.27Å; W40-L44 WeakPolarHBondContact O-CG 3.47Å; W40-L44 PolarHBondContact O-N 2.88Å; D41-L44 PolarHBondContact O-N 3.04Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.35Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.98Å; L44-V47 CarbonylContact O-C 3.59Å; L44-V47 VanDerWaalsContact O-CG2 3.28Å; L44-V47 WeakPolarHBondContact O-CG2 3.4Å; L44-V47 PolarHBondContact O-N 3.29Å; L44-H48 PolarHBondContact O-N 2.99Å; L44-C49 CarbonylContact C-O 3.58Å; L44-C49 HydrophobicContact CB-CB 4.01Å; L44-C49 WeakPolarHBondContact CB-O 3.45Å; L44-C49 HydrophobicContact CD2-CB 4.1Å; L44-C49 PolarHBondContact O-N 2.95Å; L44-C49 VanDerWaalsContact O-O 3.1Å; L44-I51 HydrophobicContact CD1-CD1 3.63Å; L44-I51 HydrophobicContact CD1-CG1 3.39Å; L44-L65 HydrophobicContact CD1-CD2 3.69Å; L44-L65 HydrophobicContact CD2-CD1 4Å; L44-L65 HydrophobicContact CD2-CD2 4.48Å; L44-M70 HydrophobicContact CD1-CE 4.19Å; L44-M70 HydrophobicContact CD1-SD 4.2Å; L44-M70 HydrophobicContact CD2-SD 4.37Å; L44-L79 HydrophobicContact CD2-CD1 3.77Å; L44-L79 HydrophobicContact CD2-CD2 4.44Å |
| 45 | E | 93.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 53.6 Ų | 53.6 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.5 | -37.8 | 174.6 | -172 | 171.9 | -160.4 | 0 | 0 | 111.5 | D41 K42 V47 H48 C49 | D41-E45 WeakPolarHBondContact O-CB 3.31Å; D41-E45 PolarHBondContact O-N 3.21Å; K42-E45 PolarHBondContact O-N 2.89Å; E45-V47 PolarHBondContact O-N 3.46Å; E45-V47 VanDerWaalsContact O-N 3.16Å; E45-H48 PolarHBondContact O-N 2.93Å; E45-H48 VanDerWaalsContact O-N 3.07Å; E45-C49 PolarHBondContact N-O 3.49Å |
| 46 | N | 89.7 | Confident | 96.2 | Very high | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.9 | 175.3 | -69.4 | -19.8 | 0 | 0 | 0 | 113.9 | K42 L44 | K42-N46 VanDerWaalsContact O-CG 3.29Å; K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-ND2 3.41Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.98Å |
| 47 | V | 90.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 19.2 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | L44 E45 C49 T85 L86 Q89 A90 | L44-V47 CarbonylContact O-C 3.59Å; L44-V47 VanDerWaalsContact O-CG2 3.28Å; L44-V47 WeakPolarHBondContact O-CG2 3.4Å; L44-V47 PolarHBondContact O-N 3.29Å; E45-V47 PolarHBondContact O-N 3.46Å; E45-V47 VanDerWaalsContact O-N 3.16Å; V47-C49 VanDerWaalsContact C-N 3.32Å; V47-C49 HydrophobicContact CG2-CB 4.34Å; V47-C49 PolarHBondContact O-N 3.17Å; V47-T85 WeakPolarHBondContact O-CB 3.41Å; V47-L86 VanDerWaalsContact CG1-O 3.25Å; V47-L86 WeakPolarHBondContact CG1-O 3.11Å; V47-Q89 HydrophobicContact CG1-CB 4.27Å; V47-A90 HydrophobicContact CG1-CB 3.66Å; V47-A90 HydrophobicContact CG2-CB 4.41Å |
| 48 | H | 90.4 | Very high | 96.1 | Very high | 135 Ų | 135 | 61.9 Ų | 61.9 | 63% | 0.625 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 33.8 | 178.4 | -52.7 | -56.2 | 0 | 0 | 0 | 114.4 | L44 E45 | L44-H48 PolarHBondContact O-N 2.99Å; E45-H48 PolarHBondContact O-N 2.93Å; E45-H48 VanDerWaalsContact O-N 3.07Å |
| 49 | C | 93.1 | Very high | 96 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -114.8 | 145.6 | 175.4 | -74.7 | 0 | 0 | 0 | 0 | 111.2 | L44 E45 V47 T85 | L44-C49 CarbonylContact C-O 3.58Å; L44-C49 HydrophobicContact CB-CB 4.01Å; L44-C49 WeakPolarHBondContact CB-O 3.45Å; L44-C49 HydrophobicContact CD2-CB 4.1Å; L44-C49 PolarHBondContact O-N 2.95Å; L44-C49 VanDerWaalsContact O-O 3.1Å; E45-C49 PolarHBondContact N-O 3.49Å; V47-C49 VanDerWaalsContact C-N 3.32Å; V47-C49 HydrophobicContact CG2-CB 4.34Å; V47-C49 PolarHBondContact O-N 3.17Å; C49-T85 VanDerWaalsContact SG-CG2 3.59Å | ||
| 50 | L | 95.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 59% | 0.586 | 31% | 0.305 | S | S | * | . | trans | -123.5 | 145.4 | 173.1 | -62 | 173.8 | 0 | 0 | 0 | 110.3 | L65 S66 | L50-L65 CarbonylContact O-C 3.56Å; L50-L65 WeakPolarHBondContact O-CA 3.27Å; L50-S66 PolarHBondContact N-OG 2.79Å; L50-S66 PolarHBondContact O-N 3.33Å | ||
| 51 | I | 97.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.9 | 171.9 | -67 | 167.1 | 0 | 0 | 0 | 109.3 | R37 W40 L44 Y63 L65 M70 | R37-I51 VanDerWaalsContact NE-CD1 3.31Å; W40-I51 HydrophobicContact CB-CD1 4.05Å; L44-I51 HydrophobicContact CD1-CD1 3.63Å; L44-I51 HydrophobicContact CD1-CG1 3.39Å; I51-Y63 HydrophobicContact CD1-CD1 3.75Å; I51-Y63 HydrophobicContact CD1-CE1 4.09Å; I51-Y63 HydrophobicContact CG1-CD1 4.13Å; I51-Y63 HydrophobicContact CG2-CD1 3.81Å; I51-L65 HydrophobicContact CB-CD2 4.5Å; I51-L65 HydrophobicContact CG1-CD2 3.77Å; I51-M70 HydrophobicContact CD1-CE 4.4Å |
| 52 | I | 97.6 | Very high | 96 | Very high | 79 Ų | 79 | 59 Ų | 59 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -49.9 | 176.6 | -63.6 | -178.5 | 0 | 0 | 0 | 110.7 | I64 T221 F223 | I52-I64 HydrophobicContact CB-CG2 4.29Å; I52-I64 HydrophobicContact CD1-CG2 4.41Å; I52-I64 PolarHBondContact N-O 3.42Å; I52-T221 HydrophobicContact CD1-CG2 4.27Å; I52-T221 HydrophobicContact CG2-CG2 4.19Å; I52-F223 HydrophobicContact CD1-CD1 4.48Å; I52-F223 HydrophobicContact CD1-CE1 3.43Å; I52-F223 VanDerWaalsContact CD1-CE1 3.43Å; I52-F223 HydrophobicContact CD1-CZ 3.74Å |
| 53 | S | 98.1 | Very high | 96 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 162 | -177.6 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | Y63 I64 D219 | S53-Y63 WeakPolarHBondContact O-CA 3.29Å; S53-I64 PolarHBondContact N-O 3.09Å; S53-I64 PolarHBondContact O-N 2.87Å; S53-I64 WeakPolarHBondContact OG-CB 3.25Å; S53-I64 WeakPolarHBondContact OG-CD1 3.28Å; S53-D219 VanDerWaalsContact CB-OD2 3.3Å; S53-D219 WeakPolarHBondContact CB-OD2 3.2Å; S53-D219 PolarHBondContact OG-OD1 2.85Å; S53-D219 PolarHBondContact OG-OD2 2.87Å |
| 54 | V | 98.2 | Very high | 96.1 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.2 | 175.4 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | K56 A62 Y63 | V54-K56 HydrophobicContact CG2-CG 4.08Å; V54-A62 CarbonylContact C-O 3.55Å; V54-A62 WeakPolarHBondContact CA-O 3.31Å; V54-Y63 HydrophobicContact CB-CD1 3.7Å; V54-Y63 HydrophobicContact CB-CE1 3.74Å; V54-Y63 HydrophobicContact CB-CG 4.43Å; V54-Y63 HydrophobicContact CG2-CD1 3.64Å; V54-Y63 HydrophobicContact CG2-CD2 4.37Å; V54-Y63 HydrophobicContact CG2-CE1 3.36Å; V54-Y63 HydrophobicContact CG2-CE2 4.13Å; V54-Y63 HydrophobicContact CG2-CG 4.14Å |
| 55 | T | 98.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 54 Ų | 54 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.4 | 170.1 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | A62 V217 D219 M233 | T55-A62 PolarHBondContact N-O 2.8Å; T55-A62 PolarHBondContact O-N 3.48Å; T55-V217 HydrophobicContact CG2-CG1 3.85Å; T55-D219 WeakPolarHBondContact OG1-CB 3.26Å; T55-D219 PolarHBondContact OG1-OD2 2.71Å; T55-D219 VanDerWaalsContact OG1-OD2 3.11Å; T55-M233 HydrophobicContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact O-CE 3.22Å; T55-M233 WeakPolarHBondContact O-CE 3.32Å |
| 56 | K | 97.8 | Very high | 96.1 | Very high | 124 Ų | 124 | 49.4 Ų | 49.4 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.5 | -175.6 | -56.4 | -169.5 | 176.6 | -153.8 | 0 | 111.5 | V54 E61 | V54-K56 HydrophobicContact CG2-CG 4.08Å; K56-E61 HydrophobicContact CB-CG 4.41Å; K56-E61 HydrophobicContact CD-CG 4.06Å; K56-E61 WeakPolarHBondContact CD-OE1 3.22Å; K56-E61 WeakPolarHBondContact CE-OE1 3.38Å; K56-E61 HydrophobicContact CG-CB 4.24Å; K56-E61 HydrophobicContact CG-CG 3.92Å; K56-E61 IonicContact NZ-OE1 2.85Å; K56-E61 PolarHBondContact NZ-OE1 3.37Å; K56-E61 IonicContact NZ-OE2 3.19Å |
| 57 | T | 96.2 | Very high | 96.2 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | trans | -131.6 | 171.6 | 168.6 | 65.4 | 0 | 0 | 0 | 0 | 109.1 | K59 Q60 M233 | T57-K59 PolarHBondContact O-N 3.12Å; T57-K59 PolarHBondContact OG1-N 3.34Å; T57-Q60 PolarHBondContact N-O 2.77Å; T57-Q60 PolarHBondContact O-N 2.95Å; T57-Q60 PolarHBondContact OG1-N 2.88Å; T57-Q60 PolarHBondContact OG1-O 3.16Å; T57-M233 HydrophobicContact CG2-CB 4.04Å; T57-M233 HydrophobicContact CG2-CE 3.84Å; T57-M233 HydrophobicContact CG2-SD 4.04Å | ||
| 58 | D | 95.8 | Very high | 96.3 | Very high | 161 Ų | 161 | 47.6 Ų | 47.6 | 86% | 0.861 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -60.5 | -20.5 | 177.5 | -61.6 | -25.2 | 0 | 0 | 0 | 113.9 | R33 | R33-D58 PolarHBondContact NH1-O 2.92Š|
| 59 | K | 96.2 | Very high | 96.7 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -104.5 | -30.6 | -175.8 | -68.9 | -170.5 | 179.4 | -166.7 | 0 | 114.2 | T57 T235 D236 | T57-K59 PolarHBondContact O-N 3.12Å; T57-K59 PolarHBondContact OG1-N 3.34Å; K59-T235 WeakPolarHBondContact CE-O 3.46Å; K59-D236 PolarHBondContact NZ-O 2.87Å |
| 60 | Q | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 158.4 | -172.1 | 67.4 | -168.6 | 16.8 | 0 | 0 | 112.2 | T57 V72 M233 G237 T238 | T57-Q60 PolarHBondContact N-O 2.77Å; T57-Q60 PolarHBondContact O-N 2.95Å; T57-Q60 PolarHBondContact OG1-N 2.88Å; T57-Q60 PolarHBondContact OG1-O 3.16Å; Q60-V72 CarbonylContact C-O 3.29Å; Q60-V72 VanDerWaalsContact CA-O 3.31Å; Q60-V72 WeakPolarHBondContact CA-O 3.48Å; Q60-M233 HydrophobicContact CG-SD 3.59Å; Q60-M233 VanDerWaalsContact CG-SD 3.59Å; Q60-G237 PolarHBondContact OE1-O 2.85Å; Q60-T238 PolarHBondContact NE2-O 2.74Å |
| 61 | E | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.4 | 173.4 | -51 | -174.7 | 152 | 0 | 0 | 108.5 | R33 K56 Y63 F71 V72 | R33-E61 HydrophobicContact CG-CG 4.2Å; K56-E61 HydrophobicContact CB-CG 4.41Å; K56-E61 HydrophobicContact CD-CG 4.06Å; K56-E61 WeakPolarHBondContact CD-OE1 3.22Å; K56-E61 WeakPolarHBondContact CE-OE1 3.38Å; K56-E61 HydrophobicContact CG-CB 4.24Å; K56-E61 HydrophobicContact CG-CG 3.92Å; K56-E61 IonicContact NZ-OE1 2.85Å; K56-E61 PolarHBondContact NZ-OE1 3.37Å; K56-E61 IonicContact NZ-OE2 3.19Å; E61-Y63 HydrophobicContact CB-CD2 4.46Å; E61-Y63 HydrophobicContact CB-CE2 3.64Å; E61-Y63 PolarHBondContact OE2-OH 3.3Å; E61-F71 CarbonylContact O-C 3.57Å; E61-F71 VanDerWaalsContact O-CA 3.31Å; E61-F71 WeakPolarHBondContact O-CA 3.01Å; E61-V72 PolarHBondContact N-O 3.04Å; E61-V72 PolarHBondContact O-N 2.9Å |
| 62 | A | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V54 T55 F71 N231 M233 | V54-A62 CarbonylContact C-O 3.55Å; V54-A62 WeakPolarHBondContact CA-O 3.31Å; T55-A62 PolarHBondContact N-O 2.8Å; T55-A62 PolarHBondContact O-N 3.48Å; A62-F71 HydrophobicContact CB-CD1 3.51Å; A62-F71 HydrophobicContact CB-CE1 3.39Å; A62-F71 HydrophobicContact CB-CZ 4.35Å; A62-N231 HydrophobicContact CB-CB 3.92Å; A62-M233 HydrophobicContact CB-CE 3.75Å; A62-M233 HydrophobicContact CB-CG 4.15Å; A62-M233 HydrophobicContact CB-SD 3.58Å; A62-M233 VanDerWaalsContact CB-SD 3.58Å |
| 63 | Y | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.2 | -176.3 | -62.9 | -98.6 | 0 | 0 | 0 | 108.7 | I51 S53 V54 E61 S69 M70 V72 N231 | I51-Y63 HydrophobicContact CD1-CD1 3.75Å; I51-Y63 HydrophobicContact CD1-CE1 4.09Å; I51-Y63 HydrophobicContact CG1-CD1 4.13Å; I51-Y63 HydrophobicContact CG2-CD1 3.81Å; S53-Y63 WeakPolarHBondContact O-CA 3.29Å; V54-Y63 HydrophobicContact CB-CD1 3.7Å; V54-Y63 HydrophobicContact CB-CE1 3.74Å; V54-Y63 HydrophobicContact CB-CG 4.43Å; V54-Y63 HydrophobicContact CG2-CD1 3.64Å; V54-Y63 HydrophobicContact CG2-CD2 4.37Å; V54-Y63 HydrophobicContact CG2-CE1 3.36Å; V54-Y63 HydrophobicContact CG2-CE2 4.13Å; V54-Y63 HydrophobicContact CG2-CG 4.14Å; E61-Y63 HydrophobicContact CB-CD2 4.46Å; E61-Y63 HydrophobicContact CB-CE2 3.64Å; E61-Y63 PolarHBondContact OE2-OH 3.3Å; Y63-S69 WeakPolarHBondContact O-CA 3.31Å; Y63-M70 HydrophobicContact CD1-CE 4.13Å; Y63-M70 HydrophobicContact CD2-CE 3.48Å; Y63-M70 VanDerWaalsContact CD2-CE 3.48Å; Y63-M70 HydrophobicContact CE1-CE 4.4Å; Y63-M70 HydrophobicContact CE2-CE 3.82Å; Y63-M70 HydrophobicContact CG-CE 3.67Å; Y63-M70 PolarHBondContact N-O 2.82Å; Y63-M70 PolarHBondContact O-N 3.25Å; Y63-V72 HydrophobicContact CD2-CG2 4.41Å; Y63-V72 HydrophobicContact CE2-CB 4.46Å; Y63-V72 HydrophobicContact CE2-CG2 3.96Å; Y63-N231 PolarHBondContact O-ND2 3.32Å |
| 64 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.4 | 165.7 | -61.5 | -177.4 | 0 | 0 | 0 | 107.2 | I52 S53 D219 N231 | I52-I64 HydrophobicContact CB-CG2 4.29Å; I52-I64 HydrophobicContact CD1-CG2 4.41Å; I52-I64 PolarHBondContact N-O 3.42Å; S53-I64 PolarHBondContact N-O 3.09Å; S53-I64 PolarHBondContact O-N 2.87Å; S53-I64 WeakPolarHBondContact OG-CB 3.25Å; S53-I64 WeakPolarHBondContact OG-CD1 3.28Å; I64-D219 HydrophobicContact CD1-CB 4.01Å; I64-D219 WeakPolarHBondContact CD1-O 3.43Å; I64-N231 PolarHBondContact N-ND2 2.99Å |
| 65 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 162.5 | 177.3 | -51.7 | -177.4 | 0 | 0 | 0 | 110.8 | L44 L50 I51 E67 S68 M70 L79 | L44-L65 HydrophobicContact CD1-CD2 3.69Å; L44-L65 HydrophobicContact CD2-CD1 4Å; L44-L65 HydrophobicContact CD2-CD2 4.48Å; L50-L65 CarbonylContact O-C 3.56Å; L50-L65 WeakPolarHBondContact O-CA 3.27Å; I51-L65 HydrophobicContact CB-CD2 4.5Å; I51-L65 HydrophobicContact CG1-CD2 3.77Å; L65-E67 PolarHBondContact O-N 2.87Å; L65-S68 WeakPolarHBondContact CA-O 3.32Å; L65-S68 WeakPolarHBondContact CB-O 3.49Å; L65-S68 PolarHBondContact N-O 3.13Å; L65-M70 HydrophobicContact CD1-CB 4.15Å; L65-M70 HydrophobicContact CD2-CB 4.38Å; L65-M70 HydrophobicContact CG-CB 4.46Å; L65-L79 HydrophobicContact CD1-CD1 3.67Å |
| 66 | S | 93.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.3 | 167.7 | 55 | 0 | 0 | 0 | 0 | 112.6 | L50 F223 | L50-S66 PolarHBondContact N-OG 2.79Å; L50-S66 PolarHBondContact O-N 3.33Å; S66-F223 WeakPolarHBondContact O-CE1 3.42Å |
| 67 | E | 91.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 44 | -173 | -60 | -66.5 | 169.4 | 0 | 0 | 111.6 | F9 L65 T81 C82 T85 | F9-E67 WeakPolarHBondContact CE2-OE2 3.48Å; F9-E67 WeakPolarHBondContact CZ-OE2 3.1Å; L65-E67 PolarHBondContact O-N 2.87Å; E67-T81 CarbonylContact O-C 3.58Å; E67-T81 WeakPolarHBondContact O-CA 3.3Å; E67-C82 VanDerWaalsContact C-SG 3.51Å; E67-C82 PolarHBondContact O-N 2.97Å; E67-C82 PolarHBondContact O-SG 3.23Å; E67-T85 HydrophobicContact CB-CG2 3.83Å; E67-T85 HydrophobicContact CG-CG2 3.93Å |
| 68 | S | 92.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.3 | -127.1 | 175 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | E13 L65 K80 H243 | E13-S68 PolarHBondContact OE1-OG 3.38Å; L65-S68 WeakPolarHBondContact CA-O 3.32Å; L65-S68 WeakPolarHBondContact CB-O 3.49Å; L65-S68 PolarHBondContact N-O 3.13Å; S68-K80 WeakPolarHBondContact CB-O 3.39Å; S68-K80 PolarHBondContact OG-O 3.43Å; S68-H243 WeakPolarHBondContact CA-CE1 3.45Å; S68-H243 WeakPolarHBondContact CA-ND1 3.17Å; S68-H243 PolarHBondContact O-CE1 3.25Å; S68-H243 PolarHBondContact OG-CD2 2.96Å; S68-H243 PolarHBondContact OG-CE1 3.15Å; S68-H243 PolarHBondContact OG-NE2 3.07Å |
| 69 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 152.7 | -168.1 | -83.7 | 0 | 0 | 0 | 0 | 114.3 | Y63 K80 N231 T241 H243 | Y63-S69 WeakPolarHBondContact O-CA 3.31Å; S69-K80 PolarHBondContact N-O 2.75Å; S69-K80 PolarHBondContact O-N 3.09Å; S69-K80 VanDerWaalsContact O-O 3.08Å; S69-N231 WeakPolarHBondContact CB-OD1 3.37Å; S69-N231 VanDerWaalsContact OG-CG 3.25Å; S69-N231 PolarHBondContact OG-ND2 3.36Å; S69-N231 VanDerWaalsContact OG-ND2 3.08Å; S69-N231 PolarHBondContact OG-OD1 2.59Å; S69-T241 PolarHBondContact OG-OG1 2.83Å; S69-T241 VanDerWaalsContact OG-OG1 3.13Å; S69-H243 PolarHBondContact OG-CE1 3.27Å; S69-H243 PolarHBondContact OG-NE2 2.94Å |
| 70 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.9 | 170.6 | 179.7 | -177.3 | 75.1 | 0 | 0 | 110.7 | W40 L44 I51 Y63 L65 V72 F77 I78 L79 | W40-M70 HydrophobicContact CB-CE 4.16Å; W40-M70 HydrophobicContact CD2-CE 4.26Å; W40-M70 HydrophobicContact CE3-SD 4.44Å; W40-M70 HydrophobicContact CG-CE 4.06Å; L44-M70 HydrophobicContact CD1-CE 4.19Å; L44-M70 HydrophobicContact CD1-SD 4.2Å; L44-M70 HydrophobicContact CD2-SD 4.37Å; I51-M70 HydrophobicContact CD1-CE 4.4Å; Y63-M70 HydrophobicContact CD1-CE 4.13Å; Y63-M70 HydrophobicContact CD2-CE 3.48Å; Y63-M70 VanDerWaalsContact CD2-CE 3.48Å; Y63-M70 HydrophobicContact CE1-CE 4.4Å; Y63-M70 HydrophobicContact CE2-CE 3.82Å; Y63-M70 HydrophobicContact CG-CE 3.67Å; Y63-M70 PolarHBondContact N-O 2.82Å; Y63-M70 PolarHBondContact O-N 3.25Å; L65-M70 HydrophobicContact CD1-CB 4.15Å; L65-M70 HydrophobicContact CD2-CB 4.38Å; L65-M70 HydrophobicContact CG-CB 4.46Å; M70-V72 HydrophobicContact CE-CG2 4.12Å; M70-V72 HydrophobicContact CG-CG2 4.29Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; M70-F77 HydrophobicContact CG-CE2 3.83Å; M70-F77 HydrophobicContact CG-CZ 3.99Å; M70-F77 HydrophobicContact SD-CE2 3.57Å; M70-F77 VanDerWaalsContact SD-CE2 3.57Å; M70-F77 HydrophobicContact SD-CZ 3.78Å; M70-I78 CarbonylContact C-O 3.58Å; M70-I78 VanDerWaalsContact CA-O 3.29Å; M70-I78 WeakPolarHBondContact CA-O 3.36Å; M70-I78 WeakPolarHBondContact CG-O 3.3Å; M70-L79 HydrophobicContact CB-CD1 4.02Å; M70-L79 HydrophobicContact CG-CD1 4.32Å |
| 71 | F | 98.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.022 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.5 | 174.7 | -60.3 | -97 | 0 | 0 | 0 | 111.3 | E61 A62 I78 N231 Y239 T241 | E61-F71 CarbonylContact O-C 3.57Å; E61-F71 VanDerWaalsContact O-CA 3.31Å; E61-F71 WeakPolarHBondContact O-CA 3.01Å; A62-F71 HydrophobicContact CB-CD1 3.51Å; A62-F71 HydrophobicContact CB-CE1 3.39Å; A62-F71 HydrophobicContact CB-CZ 4.35Å; F71-I78 HydrophobicContact CB-CB 4.12Å; F71-I78 HydrophobicContact CB-CD1 4.1Å; F71-I78 HydrophobicContact CD2-CB 4.3Å; F71-I78 HydrophobicContact CD2-CD1 4.49Å; F71-I78 HydrophobicContact CD2-CG2 4.3Å; F71-I78 PolarHBondContact N-O 3.08Å; F71-I78 PolarHBondContact O-N 3.48Å; F71-N231 HydrophobicContact CE1-CB 4.28Å; F71-N231 HydrophobicContact CZ-CB 4.14Å; F71-N231 WeakPolarHBondContact CZ-OD1 3.47Å; F71-Y239 HydrophobicContact CD1-CD2 4.23Å; F71-Y239 HydrophobicContact CD1-CG 4.21Å; F71-Y239 HydrophobicContact CD2-CD2 4.09Å; F71-Y239 HydrophobicContact CD2-CE2 4.33Å; F71-Y239 AromaticContact CE1-CD2 3.86Å; F71-Y239 HydrophobicContact CE1-CD2 3.86Å; F71-Y239 HydrophobicContact CE1-CG 4.06Å; F71-Y239 AromaticContact CE2-CD2 3.71Å; F71-Y239 HydrophobicContact CE2-CD2 3.71Å; F71-Y239 HydrophobicContact CE2-CE2 4.1Å; F71-Y239 HydrophobicContact CG-CD2 4.33Å; F71-Y239 AromaticContact CZ-CD2 3.57Å; F71-Y239 HydrophobicContact CZ-CD2 3.57Å; F71-Y239 HydrophobicContact CZ-CE2 4.4Å; F71-Y239 HydrophobicContact CZ-CG 4.25Å; F71-T241 HydrophobicContact CE2-CG2 4.2Å |
| 72 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.3 | -179.8 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | L32 R33 W40 Q60 E61 Y63 M70 F77 | L32-V72 HydrophobicContact CB-CG1 3.56Å; R33-V72 HydrophobicContact CG-CG1 4.05Å; W40-V72 HydrophobicContact CZ2-CG1 4.11Å; W40-V72 HydrophobicContact CZ2-CG2 4.18Å; Q60-V72 CarbonylContact C-O 3.29Å; Q60-V72 VanDerWaalsContact CA-O 3.31Å; Q60-V72 WeakPolarHBondContact CA-O 3.48Å; E61-V72 PolarHBondContact N-O 3.04Å; E61-V72 PolarHBondContact O-N 2.9Å; Y63-V72 HydrophobicContact CD2-CG2 4.41Å; Y63-V72 HydrophobicContact CE2-CB 4.46Å; Y63-V72 HydrophobicContact CE2-CG2 3.96Å; M70-V72 HydrophobicContact CE-CG2 4.12Å; M70-V72 HydrophobicContact CG-CG2 4.29Å; M70-V72 HydrophobicContact SD-CG2 4.46Å; V72-F77 HydrophobicContact CG2-CD2 4.14Å; V72-F77 HydrophobicContact CG2-CE2 4.28Å |
| 73 | S | 98.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 17 Ų | 17 | 15% | 0.154 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -177.1 | 170.5 | 74 | 0 | 0 | 0 | 0 | 109.9 | L32 R75 R76 | L32-S73 WeakPolarHBondContact CB-O 3.35Å; S73-R75 VanDerWaalsContact C-N 3.26Å; S73-R75 PolarHBondContact O-N 3.29Å; S73-R75 VanDerWaalsContact O-N 3.14Å; S73-R76 PolarHBondContact N-O 3.12Å; S73-R76 WeakPolarHBondContact OG-CA 3.32Å; S73-R76 VanDerWaalsContact OG-CB 3.26Å; S73-R76 WeakPolarHBondContact OG-CB 3.45Å; S73-R76 PolarHBondContact OG-N 3.3Å; S73-R76 VanDerWaalsContact OG-N 3.07Å; S73-R76 PolarHBondContact OG-O 2.86Å |
| 74 | K | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 20.3 Ų | 20.3 | 47% | 0.47 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -49.9 | -45.2 | -178.5 | -171.5 | 178.2 | -178.6 | 174.3 | 0 | 113.9 | G30 D31 L32 | G30-K74 WeakPolarHBondContact O-CE 3.25Å; G30-K74 WeakPolarHBondContact O-CG 3.4Å; D31-K74 WeakPolarHBondContact CA-O 3.4Å; D31-K74 HydrophobicContact CB-CG 4.02Å; D31-K74 WeakPolarHBondContact OD1-CA 3.38Å; L32-K74 PolarHBondContact N-O 3.36Å |
| 75 | R | 97.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 20.5 Ų | 20.5 | 33% | 0.328 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -131.3 | -5.3 | -173.6 | -64.9 | -178.2 | 63.3 | -159.8 | -14 | 113.9 | W19 F20 S73 F104 E108 | W19-R75 CarbonylContact C-O 3.5Å; W19-R75 WeakPolarHBondContact CA-O 3.47Å; F20-R75 PolarHBondContact N-O 2.87Å; F20-R75 PolarHBondContact O-NE 3.4Å; F20-R75 PolarHBondContact O-NH2 2.96Å; S73-R75 VanDerWaalsContact C-N 3.26Å; S73-R75 PolarHBondContact O-N 3.29Å; S73-R75 VanDerWaalsContact O-N 3.14Å; R75-F104 HydrophobicContact CG-CE1 4.09Å; R75-F104 HydrophobicContact CG-CZ 3.84Å; R75-E108 IonicContact CZ-OE2 2.68Å; R75-E108 VanDerWaalsContact CZ-OE2 3.32Å; R75-E108 IonicContact NH1-OE2 2.69Å; R75-E108 IonicContact NH2-OE2 3.82Å; R75-E108 PolarHBondContact NH2-OE2 2.9Å |
| 76 | R | 98.5 | Very high | 97.2 | Very high | 21 Ų | 21 | 21 Ų | 21 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.8 | -178.1 | -174.1 | -179.1 | 79.1 | 163.5 | -11.7 | 110.5 | E17 V18 W19 S73 D174 Y239 N258 | E17-R76 HydrophobicContact CG-CG 4.25Å; E17-R76 WeakPolarHBondContact OE1-CD 3.39Å; E17-R76 IonicContact OE1-CZ 2.91Å; E17-R76 IonicContact OE1-NE 2.71Å; E17-R76 IonicContact OE1-NH1 2.64Å; E17-R76 PolarHBondContact OE1-NH1 2.91Å; V18-R76 WeakPolarHBondContact O-CA 3.47Å; W19-R76 HydrophobicContact CD2-CG 3.94Å; W19-R76 HydrophobicContact CG-CB 4.37Å; W19-R76 HydrophobicContact CG-CG 4.24Å; W19-R76 VanDerWaalsContact CZ2-CD 3.45Å; W19-R76 HydrophobicContact CZ2-CG 4.17Å; S73-R76 PolarHBondContact N-O 3.12Å; S73-R76 WeakPolarHBondContact OG-CA 3.32Å; S73-R76 VanDerWaalsContact OG-CB 3.26Å; S73-R76 WeakPolarHBondContact OG-CB 3.45Å; S73-R76 PolarHBondContact OG-N 3.3Å; S73-R76 VanDerWaalsContact OG-N 3.07Å; S73-R76 PolarHBondContact OG-O 2.86Å; R76-D174 IonicContact NH1-OD1 2.8Å; R76-Y239 VanDerWaalsContact NH2-CD1 3.31Å; R76-N258 PolarHBondContact NH2-ND2 3.28Å |
| 77 | F | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131 | 173.9 | -178.6 | -95.4 | 0 | 0 | 0 | 109.1 | E17 V18 F20 L32 W40 M70 V72 L79 L94 | E17-F77 WeakPolarHBondContact CA-O 3.35Å; V18-F77 PolarHBondContact N-O 2.9Å; V18-F77 PolarHBondContact O-N 2.89Å; F20-F77 HydrophobicContact CE2-CB 4.04Å; L32-F77 HydrophobicContact CD1-CB 3.97Å; W40-F77 HydrophobicContact CE3-CE2 4.36Å; W40-F77 HydrophobicContact CH2-CD2 4.12Å; W40-F77 AromaticContact CH2-CE2 3.95Å; W40-F77 HydrophobicContact CH2-CE2 3.95Å; W40-F77 HydrophobicContact CZ3-CD2 4.35Å; W40-F77 AromaticContact CZ3-CE2 3.74Å; W40-F77 HydrophobicContact CZ3-CE2 3.74Å; W40-F77 HydrophobicContact CZ3-CZ 4.5Å; M70-F77 HydrophobicContact CG-CE2 3.83Å; M70-F77 HydrophobicContact CG-CZ 3.99Å; M70-F77 HydrophobicContact SD-CE2 3.57Å; M70-F77 VanDerWaalsContact SD-CE2 3.57Å; M70-F77 HydrophobicContact SD-CZ 3.78Å; V72-F77 HydrophobicContact CG2-CD2 4.14Å; V72-F77 HydrophobicContact CG2-CE2 4.28Å; F77-L79 HydrophobicContact CD1-CB 4.33Å; F77-L79 HydrophobicContact CE1-CB 3.4Å; F77-L79 VanDerWaalsContact CE1-CB 3.4Å; F77-L79 HydrophobicContact CE1-CD2 4.36Å; F77-L79 HydrophobicContact CE1-CG 4.48Å; F77-L79 HydrophobicContact CZ-CB 3.8Å; F77-L79 HydrophobicContact CZ-CD2 4.41Å; F77-L94 HydrophobicContact CD1-CD1 4.01Å; F77-L94 HydrophobicContact CD1-CD2 3.38Å; F77-L94 HydrophobicContact CD1-CG 4.34Å; F77-L94 HydrophobicContact CD2-CD1 3.8Å; F77-L94 HydrophobicContact CE1-CD1 4Å; F77-L94 HydrophobicContact CE1-CD2 3.51Å; F77-L94 HydrophobicContact CE1-CG 4.36Å; F77-L94 HydrophobicContact CE2-CD1 3.82Å; F77-L94 HydrophobicContact CG-CD1 3.9Å; F77-L94 HydrophobicContact CG-CD2 3.99Å; F77-L94 HydrophobicContact CZ-CD1 3.91Å; F77-L94 HydrophobicContact CZ-CD2 4.25Å |
| 78 | I | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.1 | 170.3 | -61.3 | 152.2 | 0 | 0 | 0 | 107.3 | L15 L16 E17 M70 F71 Y239 | L15-I78 HydrophobicContact CD1-CG2 3.74Å; L16-I78 CarbonylContact O-C 3.47Å; L16-I78 WeakPolarHBondContact O-CA 3.27Å; E17-I78 HydrophobicContact CB-CG1 4.39Å; E17-I78 HydrophobicContact CG-CD1 4.48Å; E17-I78 HydrophobicContact CG-CG1 3.55Å; M70-I78 CarbonylContact C-O 3.58Å; M70-I78 VanDerWaalsContact CA-O 3.29Å; M70-I78 WeakPolarHBondContact CA-O 3.36Å; M70-I78 WeakPolarHBondContact CG-O 3.3Å; F71-I78 HydrophobicContact CB-CB 4.12Å; F71-I78 HydrophobicContact CB-CD1 4.1Å; F71-I78 HydrophobicContact CD2-CB 4.3Å; F71-I78 HydrophobicContact CD2-CD1 4.49Å; F71-I78 HydrophobicContact CD2-CG2 4.3Å; F71-I78 PolarHBondContact N-O 3.08Å; F71-I78 PolarHBondContact O-N 3.48Å; I78-Y239 HydrophobicContact CD1-CD1 4.23Å; I78-Y239 HydrophobicContact CD1-CE1 3.53Å; I78-Y239 HydrophobicContact CD1-CE2 4.1Å; I78-Y239 VanDerWaalsContact CD1-CZ 3.46Å; I78-Y239 WeakPolarHBondContact CD1-OH 3.48Å |
| 79 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.6 | 168.1 | 175.9 | 62.7 | 0 | 0 | 0 | 108.5 | L16 L44 L65 M70 F77 T81 L87 A90 | L16-L79 PolarHBondContact N-O 2.97Å; L16-L79 PolarHBondContact O-N 2.71Å; L44-L79 HydrophobicContact CD2-CD1 3.77Å; L44-L79 HydrophobicContact CD2-CD2 4.44Å; L65-L79 HydrophobicContact CD1-CD1 3.67Å; M70-L79 HydrophobicContact CB-CD1 4.02Å; M70-L79 HydrophobicContact CG-CD1 4.32Å; F77-L79 HydrophobicContact CD1-CB 4.33Å; F77-L79 HydrophobicContact CE1-CB 3.4Å; F77-L79 VanDerWaalsContact CE1-CB 3.4Å; F77-L79 HydrophobicContact CE1-CD2 4.36Å; F77-L79 HydrophobicContact CE1-CG 4.48Å; F77-L79 HydrophobicContact CZ-CB 3.8Å; F77-L79 HydrophobicContact CZ-CD2 4.41Å; L79-T81 HydrophobicContact CD1-CG2 3.78Å; L79-T81 HydrophobicContact CD2-CG2 4.44Å; L79-T81 HydrophobicContact CG-CG2 3.97Å; L79-L87 HydrophobicContact CD2-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CG 4.25Å; L79-L87 HydrophobicContact CG-CD1 4.11Å; L79-L87 HydrophobicContact CG-CG 4.48Å; L79-L87 WeakPolarHBondContact O-CD1 3.45Å; L79-A90 HydrophobicContact CD2-CB 4.32Å |
| 80 | K | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.8 | 174.1 | -162.2 | 168.5 | -149.4 | 174.6 | 0 | 108.1 | E13 K14 L15 S68 S69 E178 E256 | E13-K80 HydrophobicContact CB-CD 4.09Å; E13-K80 HydrophobicContact CB-CG 3.66Å; E13-K80 VanDerWaalsContact CD-CD 3.5Å; E13-K80 HydrophobicContact CG-CD 4.16Å; E13-K80 HydrophobicContact CG-CG 3.93Å; E13-K80 WeakPolarHBondContact OE1-CD 3.24Å; E13-K80 WeakPolarHBondContact OE2-CE 3.47Å; E13-K80 IonicContact OE2-NZ 3.72Å; E13-K80 PolarHBondContact OE2-NZ 2.96Å; K14-K80 VanDerWaalsContact O-CA 3.32Å; K14-K80 WeakPolarHBondContact O-CA 3.25Å; L15-K80 HydrophobicContact CB-CG 4.48Å; L15-K80 HydrophobicContact CD1-CB 4Å; L15-K80 HydrophobicContact CD1-CD 4.15Å; L15-K80 HydrophobicContact CD1-CG 4.11Å; S68-K80 WeakPolarHBondContact CB-O 3.39Å; S68-K80 PolarHBondContact OG-O 3.43Å; S69-K80 PolarHBondContact N-O 2.75Å; S69-K80 PolarHBondContact O-N 3.09Å; S69-K80 VanDerWaalsContact O-O 3.08Å; K80-E178 IonicContact NZ-OE1 3.32Å; K80-E178 PolarHBondContact NZ-OE1 2.84Å; K80-E256 WeakPolarHBondContact CD-OE2 3.28Å; K80-E256 WeakPolarHBondContact CE-OE2 3.38Å; K80-E256 IonicContact NZ-OE2 3.66Å; K80-E256 PolarHBondContact NZ-OE2 3.34Å |
| 81 | T | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.9 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | E13 K14 E67 L79 T85 L87 | E13-T81 CarbonylContact C-O 3.56Å; E13-T81 VanDerWaalsContact CA-O 3.32Å; E13-T81 WeakPolarHBondContact CA-O 3.45Å; K14-T81 PolarHBondContact N-O 3.41Å; K14-T81 PolarHBondContact O-N 2.95Å; E67-T81 CarbonylContact O-C 3.58Å; E67-T81 WeakPolarHBondContact O-CA 3.3Å; L79-T81 HydrophobicContact CD1-CG2 3.78Å; L79-T81 HydrophobicContact CD2-CG2 4.44Å; L79-T81 HydrophobicContact CG-CG2 3.97Å; T81-T85 WeakPolarHBondContact CB-OG1 3.36Å; T81-T85 PolarHBondContact OG1-OG1 3.19Å; T81-L87 HydrophobicContact CG2-CD1 4.25Å |
| 82 | C | 96.5 | Very high | 98 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | trans | -117.1 | -167.8 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | F9 E13 E67 T85 | F9-C82 HydrophobicContact CE1-CB 4.39Å; F9-C82 HydrophobicContact CZ-CB 4.32Å; E13-C82 HydrophobicContact CG-CB 3.94Å; E67-C82 VanDerWaalsContact C-SG 3.51Å; E67-C82 PolarHBondContact O-N 2.97Å; E67-C82 PolarHBondContact O-SG 3.23Å; C82-T85 WeakPolarHBondContact O-CB 3.29Å; C82-T85 VanDerWaalsContact O-CG2 3.23Å; C82-T85 WeakPolarHBondContact O-CG2 3.36Å; C82-T85 PolarHBondContact O-N 3.1Å; C82-T85 PolarHBondContact O-OG1 2.92Å | ||
| 83 | G | 96.7 | Very high | 98 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -137.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E10 K14 Q123 | E10-G83 WeakPolarHBondContact O-CA 3.28Å; E10-G83 PolarHBondContact O-N 2.84Å; K14-G83 PolarHBondContact NZ-O 2.77Å; G83-Q123 PolarHBondContact O-NE2 2.76Å; G83-Q123 PolarHBondContact O-OE1 2.69Å |
| 84 | T | 96.9 | Very high | 98 | Very high | 75 Ų | 75 | 24.1 Ų | 24.1 | 46% | 0.46 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 13.3 | 179 | 55 | 0 | 0 | 0 | 0 | 113.2 | L86 | T84-L86 WeakPolarHBondContact O-CD2 3.05Š|
| 85 | T | 97.1 | Very high | 98 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | trans | -55.1 | 142.5 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | K14 V47 C49 E67 T81 C82 L87 | K14-T85 WeakPolarHBondContact CE-O 3.46Å; K14-T85 PolarHBondContact NZ-O 2.91Å; V47-T85 WeakPolarHBondContact O-CB 3.41Å; C49-T85 VanDerWaalsContact SG-CG2 3.59Å; E67-T85 HydrophobicContact CB-CG2 3.83Å; E67-T85 HydrophobicContact CG-CG2 3.93Å; T81-T85 WeakPolarHBondContact CB-OG1 3.36Å; T81-T85 PolarHBondContact OG1-OG1 3.19Å; C82-T85 WeakPolarHBondContact O-CB 3.29Å; C82-T85 VanDerWaalsContact O-CG2 3.23Å; C82-T85 WeakPolarHBondContact O-CG2 3.36Å; C82-T85 PolarHBondContact O-N 3.1Å; C82-T85 PolarHBondContact O-OG1 2.92Å; T85-L87 PolarHBondContact O-N 2.78Å | ||
| 86 | L | 97.3 | Very high | 98 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | trans | -100.8 | 56.2 | -172.3 | -51.7 | 180 | 0 | 0 | 0 | 111.1 | V47 T84 L88 Q89 E124 | V47-L86 VanDerWaalsContact CG1-O 3.25Å; V47-L86 WeakPolarHBondContact CG1-O 3.11Å; T84-L86 WeakPolarHBondContact O-CD2 3.05Å; L86-L88 PolarHBondContact O-N 3.32Å; L86-Q89 HydrophobicContact CB-CB 4.42Å; L86-Q89 HydrophobicContact CB-CG 3.93Å; L86-Q89 VanDerWaalsContact O-CB 3.32Å; L86-Q89 WeakPolarHBondContact O-CB 3.3Å; L86-Q89 PolarHBondContact O-N 2.95Å; L86-E124 HydrophobicContact CD2-CB 3.94Å | ||
| 87 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -43.9 | -44.3 | -169.9 | -176.5 | 149 | 0 | 0 | 0 | 114.1 | K14 L16 L79 T81 T85 Q89 A90 Y112 H127 | K14-L87 HydrophobicContact CB-CB 4.03Å; K14-L87 HydrophobicContact CB-CD1 3.83Å; K14-L87 HydrophobicContact CB-CG 4.42Å; K14-L87 HydrophobicContact CD-CB 3.96Å; K14-L87 VanDerWaalsContact O-CD1 3.28Å; K14-L87 WeakPolarHBondContact O-CD1 3.46Å; L16-L87 HydrophobicContact CB-CD1 4.27Å; L16-L87 HydrophobicContact CB-CD2 3.52Å; L16-L87 HydrophobicContact CB-CG 4.42Å; L16-L87 HydrophobicContact CD2-CD2 4.1Å; L16-L87 HydrophobicContact CG-CD2 4.36Å; L79-L87 HydrophobicContact CD2-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CG 4.25Å; L79-L87 HydrophobicContact CG-CD1 4.11Å; L79-L87 HydrophobicContact CG-CG 4.48Å; L79-L87 WeakPolarHBondContact O-CD1 3.45Å; T81-L87 HydrophobicContact CG2-CD1 4.25Å; T85-L87 PolarHBondContact O-N 2.78Å; L87-Q89 PolarHBondContact O-N 2.72Å; L87-A90 WeakPolarHBondContact O-CB 3.23Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-Y112 HydrophobicContact CD2-CD2 4.13Å; L87-Y112 HydrophobicContact CD2-CE2 3.99Å; L87-H127 PolarHBondContact N-NE2 3.33Å |
| 88 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -67.8 | -18.8 | -175.8 | -78.3 | 177.1 | 0 | 0 | 0 | 113.3 | L86 A90 L91 Y112 P126 H127 E133 F136 L137 | L86-L88 PolarHBondContact O-N 3.32Å; L88-A90 VanDerWaalsContact C-N 3.25Å; L88-A90 PolarHBondContact O-N 2.79Å; L88-L91 HydrophobicContact CD2-CD2 4.48Å; L88-L91 VanDerWaalsContact O-CB 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.4Å; L88-L91 PolarHBondContact O-N 2.62Å; L88-Y112 HydrophobicContact CD1-CD1 4.37Å; L88-Y112 HydrophobicContact CD1-CE1 4.04Å; L88-Y112 HydrophobicContact CD1-CE2 4.3Å; L88-Y112 HydrophobicContact CD2-CD2 3.78Å; L88-Y112 HydrophobicContact CD2-CE2 4.05Å; L88-Y112 HydrophobicContact CD2-CG 4.03Å; L88-Y112 HydrophobicContact CG-CD2 4.22Å; L88-Y112 HydrophobicContact CG-CE2 3.97Å; L88-P126 HydrophobicContact CB-CG 3.88Å; L88-P126 HydrophobicContact CD1-CG 4.35Å; L88-H127 PolarHBondContact N-NE2 2.95Å; L88-E133 HydrophobicContact CD1-CB 3.97Å; L88-E133 HydrophobicContact CD1-CG 4.12Å; L88-F136 HydrophobicContact CB-CD1 3.98Å; L88-F136 HydrophobicContact CB-CE1 3.84Å; L88-F136 HydrophobicContact CD1-CD1 4.23Å; L88-F136 WeakPolarHBondContact O-CE1 3.42Å; L88-L137 HydrophobicContact CD1-CD1 4.2Å; L88-L137 HydrophobicContact CD1-CG 4.15Å; L88-L137 HydrophobicContact CD2-CD1 4.15Å; L88-L137 HydrophobicContact CD2-CD2 3.63Å; L88-L137 HydrophobicContact CD2-CG 4.03Å |
| 89 | Q | 97.8 | Very high | 97.9 | Very high | 79 Ų | 79 | 27.3 Ų | 27.3 | 37% | 0.369 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -70.7 | -21.2 | 173 | -59.3 | -169.4 | 17.2 | 0 | 0 | 112.7 | V47 L86 L87 L91 P93 F125 | V47-Q89 HydrophobicContact CG1-CB 4.27Å; L86-Q89 HydrophobicContact CB-CB 4.42Å; L86-Q89 HydrophobicContact CB-CG 3.93Å; L86-Q89 VanDerWaalsContact O-CB 3.32Å; L86-Q89 WeakPolarHBondContact O-CB 3.3Å; L86-Q89 PolarHBondContact O-N 2.95Å; L87-Q89 PolarHBondContact O-N 2.72Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 2.87Å; Q89-P93 WeakPolarHBondContact O-CD 3.45Å; Q89-F125 PolarHBondContact NE2-O 3.04Å |
| 90 | A | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -77 | -12.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L43 V47 L79 L87 L88 P93 L94 | L43-A90 HydrophobicContact CD2-CB 3.95Å; L43-A90 HydrophobicContact CG-CB 4.2Å; V47-A90 HydrophobicContact CG1-CB 3.66Å; V47-A90 HydrophobicContact CG2-CB 4.41Å; L79-A90 HydrophobicContact CD2-CB 4.32Å; L87-A90 WeakPolarHBondContact O-CB 3.23Å; L87-A90 PolarHBondContact O-N 2.97Å; L88-A90 VanDerWaalsContact C-N 3.25Å; L88-A90 PolarHBondContact O-N 2.79Å; A90-P93 WeakPolarHBondContact O-CD 3.36Å; A90-L94 VanDerWaalsContact O-CB 3.25Å; A90-L94 WeakPolarHBondContact O-CB 3.02Å; A90-L94 PolarHBondContact O-N 2.93Å |
| 91 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -53.2 | -171.6 | 176.3 | 57.5 | 0 | 0 | 0 | 112.6 | L16 L88 Q89 L94 L95 F110 L137 I140 F141 | L16-L91 HydrophobicContact CD1-CD1 4.47Å; L16-L91 HydrophobicContact CD2-CD1 4.24Å; L88-L91 HydrophobicContact CD2-CD2 4.48Å; L88-L91 VanDerWaalsContact O-CB 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.4Å; L88-L91 PolarHBondContact O-N 2.62Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 2.87Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 PolarHBondContact O-N 2.8Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CD2 4.3Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 2.87Å; L91-F110 HydrophobicContact CD1-CE2 3.78Å; L91-F110 HydrophobicContact CD2-CE2 4Å; L91-F110 HydrophobicContact CD2-CZ 4.05Å; L91-L137 HydrophobicContact CD2-CD2 3.53Å; L91-I140 HydrophobicContact CD2-CD1 3.71Å; L91-I140 HydrophobicContact CG-CD1 4.34Å; L91-F141 HydrophobicContact CD2-CE2 3.89Å; L91-F141 HydrophobicContact CD2-CZ 4.4Å |
| 92 | V | 98.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 38% | 0.376 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.9 | -47.9 | -179.4 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L94 L95 E96 I140 | V92-L94 VanDerWaalsContact C-N 3.29Å; V92-L94 PolarHBondContact O-N 2.81Å; V92-L95 PolarHBondContact O-N 2.96Å; V92-L95 VanDerWaalsContact O-N 3.12Å; V92-E96 WeakPolarHBondContact O-CG 3.32Å; V92-E96 PolarHBondContact O-N 3.27Å; V92-I140 HydrophobicContact CG2-CD1 3.91Å; V92-I140 HydrophobicContact CG2-CG1 4.32Å |
| 93 | P | 98.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.9 | -39.3 | 172.6 | -27.7 | 35.5 | 0 | 0 | 0 | 113.9 | L43 Q89 A90 E96 L97 | L43-P93 HydrophobicContact CD1-CB 4.39Å; Q89-P93 WeakPolarHBondContact O-CD 3.45Å; A90-P93 WeakPolarHBondContact O-CD 3.36Å; P93-E96 PolarHBondContact O-N 2.69Å; P93-L97 WeakPolarHBondContact O-CG 3.35Å; P93-L97 PolarHBondContact O-N 3.11Å |
| 94 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.2 | 172.2 | 66.8 | 0 | 0 | 0 | 111.6 | L16 V18 F20 W40 L43 F77 A90 L91 V92 E96 L97 A98 | L16-L94 HydrophobicContact CD2-CD2 4.18Å; V18-L94 HydrophobicContact CG2-CD2 4.36Å; F20-L94 HydrophobicContact CZ-CD2 4.26Å; F20-L94 HydrophobicContact CZ-CG 4.1Å; W40-L94 HydrophobicContact CH2-CD1 4.09Å; W40-L94 HydrophobicContact CZ3-CD1 3.88Å; L43-L94 HydrophobicContact CD1-CB 3.91Å; L43-L94 HydrophobicContact CD1-CD1 4.46Å; F77-L94 HydrophobicContact CD1-CD1 4.01Å; F77-L94 HydrophobicContact CD1-CD2 3.38Å; F77-L94 HydrophobicContact CD1-CG 4.34Å; F77-L94 HydrophobicContact CD2-CD1 3.8Å; F77-L94 HydrophobicContact CE1-CD1 4Å; F77-L94 HydrophobicContact CE1-CD2 3.51Å; F77-L94 HydrophobicContact CE1-CG 4.36Å; F77-L94 HydrophobicContact CE2-CD1 3.82Å; F77-L94 HydrophobicContact CG-CD1 3.9Å; F77-L94 HydrophobicContact CG-CD2 3.99Å; F77-L94 HydrophobicContact CZ-CD1 3.91Å; F77-L94 HydrophobicContact CZ-CD2 4.25Å; A90-L94 VanDerWaalsContact O-CB 3.25Å; A90-L94 WeakPolarHBondContact O-CB 3.02Å; A90-L94 PolarHBondContact O-N 2.93Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 PolarHBondContact O-N 2.8Å; V92-L94 VanDerWaalsContact C-N 3.29Å; V92-L94 PolarHBondContact O-N 2.81Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.34Å; L94-L97 PolarHBondContact O-N 2.83Å; L94-A98 WeakPolarHBondContact O-CB 3.19Å; L94-A98 PolarHBondContact O-N 2.86Å |
| 95 | L | 98.5 | Very high | 97.7 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 179.5 | -61.9 | -179.1 | 0 | 0 | 0 | 111.2 | F20 L91 V92 R99 I107 I140 F141 | F20-L95 HydrophobicContact CE1-CD2 3.69Å; F20-L95 HydrophobicContact CZ-CD2 4.07Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CD2 4.3Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 2.87Å; V92-L95 PolarHBondContact O-N 2.96Å; V92-L95 VanDerWaalsContact O-N 3.12Å; L95-R99 WeakPolarHBondContact O-CB 3.22Å; L95-R99 PolarHBondContact O-N 3.1Å; L95-I107 HydrophobicContact CD2-CD1 3.82Å; L95-I107 HydrophobicContact CD2-CG1 4.38Å; L95-I140 HydrophobicContact CD1-CG2 4.3Å; L95-F141 HydrophobicContact CD1-CE1 4.41Å; L95-F141 HydrophobicContact CD1-CZ 4.14Å |
| 96 | E | 98.3 | Very high | 97.6 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 176 | -69.2 | 176.3 | 159.1 | 0 | 0 | 111.9 | V92 P93 L94 A98 R99 E100 | V92-E96 WeakPolarHBondContact O-CG 3.32Å; V92-E96 PolarHBondContact O-N 3.27Å; P93-E96 PolarHBondContact O-N 2.69Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.34Å; E96-A98 PolarHBondContact O-N 3.06Å; E96-R99 PolarHBondContact O-N 2.91Å; E96-E100 WeakPolarHBondContact O-CB 3.28Å; E96-E100 WeakPolarHBondContact O-CG 3.15Å; E96-E100 PolarHBondContact O-N 3.18Å |
| 97 | L | 98.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176 | -70.5 | 177 | 0 | 0 | 0 | 112 | I35 E39 W40 L43 P93 L94 R99 E100 Y101 | I35-L97 HydrophobicContact CD1-CB 4.13Å; E39-L97 HydrophobicContact CB-CD1 4.11Å; E39-L97 HydrophobicContact CB-CD2 3.88Å; E39-L97 HydrophobicContact CG-CD2 4.03Å; W40-L97 HydrophobicContact CE3-CD1 4.42Å; W40-L97 HydrophobicContact CZ3-CD1 4.22Å; L43-L97 HydrophobicContact CB-CD1 4.36Å; L43-L97 HydrophobicContact CD1-CD1 3.76Å; P93-L97 WeakPolarHBondContact O-CG 3.35Å; P93-L97 PolarHBondContact O-N 3.11Å; L94-L97 PolarHBondContact O-N 2.83Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.9Å; L97-E100 PolarHBondContact O-N 2.95Å; L97-Y101 HydrophobicContact CD2-CD2 4.05Å; L97-Y101 HydrophobicContact CD2-CE2 3.78Å; L97-Y101 WeakPolarHBondContact O-CB 3.35Å; L97-Y101 PolarHBondContact O-N 2.78Å |
| 98 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F20 L32 L94 E96 C102 G103 F104 | F20-A98 HydrophobicContact CD1-CB 3.76Å; F20-A98 HydrophobicContact CE1-CB 3.43Å; F20-A98 VanDerWaalsContact CE1-CB 3.43Å; F20-A98 HydrophobicContact CE2-CB 4.44Å; F20-A98 HydrophobicContact CG-CB 4.38Å; F20-A98 HydrophobicContact CZ-CB 3.8Å; L32-A98 HydrophobicContact CD2-CB 3.92Å; L94-A98 WeakPolarHBondContact O-CB 3.19Å; L94-A98 PolarHBondContact O-N 2.86Å; E96-A98 PolarHBondContact O-N 3.06Å; A98-C102 CarbonylContact O-C 3.55Å; A98-C102 WeakPolarHBondContact O-CA 3.41Å; A98-C102 WeakPolarHBondContact O-CB 3.34Å; A98-C102 PolarHBondContact O-N 2.91Å; A98-C102 VanDerWaalsContact O-N 3.17Å; A98-G103 PolarHBondContact O-N 3.21Å; A98-F104 HydrophobicContact CB-CB 4.39Å; A98-F104 HydrophobicContact CB-CD2 4.31Å; A98-F104 PolarHBondContact O-N 2.62Å |
| 99 | R | 97.1 | Very high | 97 | Very high | 138 Ų | 138 | 41.3 Ų | 41.3 | 52% | 0.521 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.9 | -49.7 | 176 | -175.1 | -175.6 | 66.3 | -166.4 | -4.2 | 112 | L95 E96 L97 G103 F104 | L95-R99 WeakPolarHBondContact O-CB 3.22Å; L95-R99 PolarHBondContact O-N 3.1Å; E96-R99 PolarHBondContact O-N 2.91Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.9Å; R99-G103 WeakPolarHBondContact O-CA 3.12Å; R99-G103 PolarHBondContact O-N 2.99Å; R99-F104 VanDerWaalsContact CA-O 3.3Å; R99-F104 WeakPolarHBondContact CA-O 3.47Å |
| 100 | E | 96.4 | Very high | 97 | Very high | 128 Ų | 128 | 37.6 Ų | 37.6 | 60% | 0.598 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -72.1 | -47.1 | -171 | -72.2 | 179.4 | -173 | 0 | 0 | 113 | E96 L97 | E96-E100 WeakPolarHBondContact O-CB 3.28Å; E96-E100 WeakPolarHBondContact O-CG 3.15Å; E96-E100 PolarHBondContact O-N 3.18Å; L97-E100 PolarHBondContact O-N 2.95Å |
| 101 | Y | 96.9 | Very high | 97 | Very high | 69 Ų | 69 | 38 Ų | 38 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -83.6 | -37.1 | -178 | -75.5 | -88 | 0 | 0 | 0 | 112.3 | T29 I35 P36 E39 L97 | T29-Y101 PolarHBondContact N-O 2.82Å; T29-Y101 PolarHBondContact OG1-O 3.3Å; I35-Y101 HydrophobicContact CG1-CD2 4.37Å; I35-Y101 HydrophobicContact CG1-CG 4.09Å; P36-Y101 HydrophobicContact CG-CD1 4.34Å; P36-Y101 HydrophobicContact CG-CE1 3.64Å; E39-Y101 HydrophobicContact CG-CE2 3.91Å; E39-Y101 WeakPolarHBondContact CG-OH 3.46Å; E39-Y101 PolarHBondContact OE1-OH 2.96Å; L97-Y101 HydrophobicContact CD2-CD2 4.05Å; L97-Y101 HydrophobicContact CD2-CE2 3.78Å; L97-Y101 WeakPolarHBondContact O-CB 3.35Å; L97-Y101 PolarHBondContact O-N 2.78Å |
| 102 | C | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -108.7 | -12.6 | -167.9 | -45.4 | 0 | 0 | 0 | 0 | 113.3 | G30 D31 L32 A98 F104 | G30-C102 WeakPolarHBondContact CA-O 3.22Å; G30-C102 PolarHBondContact N-O 3.42Å; D31-C102 PolarHBondContact O-SG 3.25Å; D31-C102 VanDerWaalsContact O-SG 3.37Å; L32-C102 VanDerWaalsContact CA-SG 3.58Å; A98-C102 CarbonylContact O-C 3.55Å; A98-C102 WeakPolarHBondContact O-CA 3.41Å; A98-C102 WeakPolarHBondContact O-CB 3.34Å; A98-C102 PolarHBondContact O-N 2.91Å; A98-C102 VanDerWaalsContact O-N 3.17Å; C102-F104 HydrophobicContact CB-CD2 3.34Å; C102-F104 HydrophobicContact CB-CE2 3.4Å; C102-F104 VanDerWaalsContact CB-CE2 3.4Å; C102-F104 HydrophobicContact CB-CG 4.13Å; C102-F104 HydrophobicContact CB-CZ 4.26Å; C102-F104 PolarHBondContact O-N 2.96Å |
| 103 | G | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | trans | 71 | 18.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R22 A98 R99 D105 | R22-G103 WeakPolarHBondContact CB-O 3.29Å; A98-G103 PolarHBondContact O-N 3.21Å; R99-G103 WeakPolarHBondContact O-CA 3.12Å; R99-G103 PolarHBondContact O-N 2.99Å; G103-D105 PolarHBondContact O-N 3.11Å | ||
| 104 | F | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -76.7 | 115.4 | 175.8 | -66 | -50.9 | 0 | 0 | 0 | 110.4 | F20 S21 R22 G30 L32 R75 A98 R99 C102 | F20-F104 HydrophobicContact CB-CB 3.81Å; F20-F104 HydrophobicContact CB-CD1 3.87Å; F20-F104 HydrophobicContact CB-CD2 3.59Å; F20-F104 HydrophobicContact CB-CE1 4.33Å; F20-F104 HydrophobicContact CB-CE2 4.1Å; F20-F104 HydrophobicContact CB-CG 3.49Å; F20-F104 VanDerWaalsContact CB-CG 3.49Å; F20-F104 HydrophobicContact CB-CZ 4.43Å; F20-F104 HydrophobicContact CD1-CB 3.94Å; F20-F104 HydrophobicContact CD1-CD2 4.45Å; F20-F104 HydrophobicContact CD1-CG 4.42Å; F20-F104 HydrophobicContact CG-CB 4.22Å; F20-F104 HydrophobicContact CG-CD2 4.04Å; F20-F104 HydrophobicContact CG-CG 4.21Å; S21-F104 WeakPolarHBondContact O-CA 3.4Å; R22-F104 HydrophobicContact CB-CD1 4.09Å; R22-F104 HydrophobicContact CG-CD1 4.4Å; G30-F104 WeakPolarHBondContact O-CZ 3.47Å; L32-F104 HydrophobicContact CD2-CD2 3.73Å; L32-F104 HydrophobicContact CD2-CE2 3.66Å; L32-F104 HydrophobicContact CG-CD2 4.35Å; L32-F104 HydrophobicContact CG-CE2 3.79Å; R75-F104 HydrophobicContact CG-CE1 4.09Å; R75-F104 HydrophobicContact CG-CZ 3.84Å; A98-F104 HydrophobicContact CB-CB 4.39Å; A98-F104 HydrophobicContact CB-CD2 4.31Å; A98-F104 PolarHBondContact O-N 2.62Å; R99-F104 VanDerWaalsContact CA-O 3.3Å; R99-F104 WeakPolarHBondContact CA-O 3.47Å; C102-F104 HydrophobicContact CB-CD2 3.34Å; C102-F104 HydrophobicContact CB-CE2 3.4Å; C102-F104 VanDerWaalsContact CB-CE2 3.4Å; C102-F104 HydrophobicContact CB-CG 4.13Å; C102-F104 HydrophobicContact CB-CZ 4.26Å; C102-F104 PolarHBondContact O-N 2.96Å | ||
| 105 | D | 95 | Very high | 97.1 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | trans | -113.3 | 0.7 | -176.4 | 61.1 | -3.5 | 0 | 0 | 0 | 113.5 | S21 R22 Q23 G103 | S21-D105 PolarHBondContact O-N 3.03Å; R22-D105 VanDerWaalsContact CA-OD1 3.28Å; R22-D105 WeakPolarHBondContact CA-OD1 3.21Å; Q23-D105 PolarHBondContact N-OD1 3.29Å; G103-D105 PolarHBondContact O-N 3.11Å | ||
| 106 | A | 94.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S21 | S21-A106 PolarHBondContact N-O 3.28Å; S21-A106 PolarHBondContact O-N 3.29Å; S21-A106 VanDerWaalsContact O-O 3.1Å; S21-A106 VanDerWaalsContact OG-CB 3.29Å; S21-A106 WeakPolarHBondContact OG-CB 3.34Å; S21-A106 PolarHBondContact OG-O 3.04Å |
| 107 | I | 94.7 | Very high | 97.1 | Very high | 42 Ų | 42 | 30.2 Ų | 30.2 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.6 | 171.9 | -63.8 | -178.2 | 0 | 0 | 0 | 108.1 | V18 L95 N109 F110 F141 L162 | V18-I107 HydrophobicContact CG1-CD1 4.36Å; V18-I107 HydrophobicContact CG1-CG1 4.4Å; V18-I107 HydrophobicContact CG1-CG2 4.19Å; L95-I107 HydrophobicContact CD2-CD1 3.82Å; L95-I107 HydrophobicContact CD2-CG1 4.38Å; I107-N109 WeakPolarHBondContact CG2-O 3.33Å; I107-F110 HydrophobicContact CG2-CB 3.98Å; I107-F141 HydrophobicContact CD1-CD1 4.48Å; I107-F141 HydrophobicContact CD1-CE1 3.34Å; I107-F141 HydrophobicContact CD1-CZ 3.4Å; I107-L162 HydrophobicContact CG2-CD1 4.1Å |
| 108 | E | 93.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -40.2 | 173.7 | 146.1 | 165.4 | -170.4 | 0 | 0 | 111 | W19 R75 L164 W168 | W19-E108 HydrophobicContact CB-CB 4.12Å; W19-E108 HydrophobicContact CB-CG 3.84Å; W19-E108 PolarHBondContact O-N 3.08Å; R75-E108 IonicContact CZ-OE2 2.68Å; R75-E108 VanDerWaalsContact CZ-OE2 3.32Å; R75-E108 IonicContact NH1-OE2 2.69Å; R75-E108 IonicContact NH2-OE2 3.82Å; R75-E108 PolarHBondContact NH2-OE2 2.9Å; E108-L164 VanDerWaalsContact O-CD1 3.28Å; E108-L164 WeakPolarHBondContact O-CD1 3.43Å; E108-W168 HydrophobicContact CB-CH2 4.27Å; E108-W168 HydrophobicContact CB-CZ2 3.85Å; E108-W168 VanDerWaalsContact CD-CZ2 3.42Å; E108-W168 HydrophobicContact CG-CH2 4.18Å; E108-W168 HydrophobicContact CG-CZ2 3.34Å |
| 109 | N | 93.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153.8 | 176 | -151.1 | -7.2 | 0 | 0 | 0 | 111.2 | W19 I107 F111 Y318 | W19-N109 HydrophobicContact CB-CB 4.12Å; W19-N109 HydrophobicContact CD2-CB 4.2Å; W19-N109 HydrophobicContact CE3-CB 3.89Å; W19-N109 HydrophobicContact CG-CB 4.36Å; W19-N109 PolarHBondContact N-O 3.34Å; W19-N109 PolarHBondContact O-N 3.12Å; I107-N109 WeakPolarHBondContact CG2-O 3.33Å; N109-F111 HydrophobicContact CB-CE2 4.3Å; N109-F111 WeakPolarHBondContact ND2-CE2 3.3Å; N109-F111 WeakPolarHBondContact ND2-CZ 3.35Å; N109-F111 WeakPolarHBondContact OD1-CE2 3.15Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.37Å; N109-Y318 WeakPolarHBondContact ND2-CE2 3.49Å |
| 110 | F | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 132.9 | -175.5 | 177.6 | -81.8 | 0 | 0 | 0 | 110.9 | L16 E17 V18 L91 I107 L137 F141 F160 T161 L162 | L16-F110 HydrophobicContact CD1-CD2 4.23Å; L16-F110 HydrophobicContact CD1-CE2 3.4Å; L16-F110 VanDerWaalsContact CD1-CE2 3.4Å; L16-F110 HydrophobicContact CD1-CZ 3.56Å; E17-F110 WeakPolarHBondContact O-CA 3.43Å; V18-F110 HydrophobicContact CG1-CD2 4.36Å; V18-F110 HydrophobicContact CG2-CD2 3.76Å; V18-F110 HydrophobicContact CG2-CE2 4.01Å; L91-F110 HydrophobicContact CD1-CE2 3.78Å; L91-F110 HydrophobicContact CD2-CE2 4Å; L91-F110 HydrophobicContact CD2-CZ 4.05Å; I107-F110 HydrophobicContact CG2-CB 3.98Å; F110-L137 HydrophobicContact CE1-CD2 4.2Å; F110-L137 HydrophobicContact CZ-CD2 3.77Å; F110-F141 AromaticContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CZ 4.14Å; F110-F141 HydrophobicContact CE1-CE2 4.29Å; F110-F141 AromaticContact CE2-CE2 3.61Å; F110-F141 HydrophobicContact CE2-CE2 3.61Å; F110-F141 HydrophobicContact CE2-CZ 4.1Å; F110-F141 HydrophobicContact CG-CE2 4.36Å; F110-F141 AromaticContact CZ-CE2 3.84Å; F110-F141 HydrophobicContact CZ-CE2 3.84Å; F110-F160 HydrophobicContact CD1-CD1 4.23Å; F110-F160 AromaticContact CE1-CD1 3.82Å; F110-F160 HydrophobicContact CE1-CD1 3.82Å; F110-F160 HydrophobicContact CE1-CE1 4.27Å; F110-T161 WeakPolarHBondContact O-CA 3.34Å; F110-T161 WeakPolarHBondContact O-CB 3.28Å; F110-T161 PolarHBondContact O-OG1 2.87Å; F110-L162 HydrophobicContact CB-CD1 3.67Å; F110-L162 HydrophobicContact CB-CG 3.83Å; F110-L162 HydrophobicContact CD1-CG 4.29Å; F110-L162 HydrophobicContact CG-CD1 4.27Å; F110-L162 HydrophobicContact CG-CG 4.28Å |
| 111 | F | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126.5 | 170.9 | -53.8 | -96.3 | 0 | 0 | 0 | 109.1 | L16 E17 W19 N109 L159 F160 T161 F285 Y318 | L16-F111 WeakPolarHBondContact CA-O 3.33Å; E17-F111 PolarHBondContact N-O 3.33Å; E17-F111 PolarHBondContact O-N 3.3Å; W19-F111 HydrophobicContact CE3-CD2 4.42Å; W19-F111 HydrophobicContact CE3-CE2 4.41Å; W19-F111 HydrophobicContact CH2-CD2 4.14Å; W19-F111 HydrophobicContact CH2-CE2 4.05Å; W19-F111 AromaticContact CZ3-CD2 3.54Å; W19-F111 HydrophobicContact CZ3-CD2 3.54Å; W19-F111 AromaticContact CZ3-CE2 3.66Å; W19-F111 HydrophobicContact CZ3-CE2 3.66Å; N109-F111 HydrophobicContact CB-CE2 4.3Å; N109-F111 WeakPolarHBondContact ND2-CE2 3.3Å; N109-F111 WeakPolarHBondContact ND2-CZ 3.35Å; N109-F111 WeakPolarHBondContact OD1-CE2 3.15Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.37Å; F111-L159 HydrophobicContact CB-CD1 4.05Å; F111-L159 HydrophobicContact CD1-CD1 3.81Å; F111-L159 HydrophobicContact CG-CD1 4.42Å; F111-F160 WeakPolarHBondContact CA-O 3.35Å; F111-T161 WeakPolarHBondContact CE1-OG1 3.22Å; F111-F285 AromaticContact CD1-CE1 3.87Å; F111-F285 HydrophobicContact CD1-CE1 3.87Å; F111-F285 HydrophobicContact CD1-CZ 4.06Å; F111-F285 HydrophobicContact CE1-CD1 4.18Å; F111-F285 AromaticContact CE1-CE1 3.62Å; F111-F285 HydrophobicContact CE1-CE1 3.62Å; F111-F285 HydrophobicContact CE1-CZ 4.28Å; F111-F285 HydrophobicContact CZ-CE1 4.46Å; F111-Y318 HydrophobicContact CZ-CD2 4.06Å; F111-Y318 HydrophobicContact CZ-CE2 4.19Å |
| 112 | Y | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.8 | 161.2 | 171.4 | -106.2 | 0 | 0 | 0 | 108 | K14 L15 L87 L88 H127 E133 L137 L159 F160 | K14-Y112 HydrophobicContact CB-CE2 4.22Å; L15-Y112 CarbonylContact O-C 3.48Å; L15-Y112 WeakPolarHBondContact O-CA 3.3Å; L15-Y112 WeakPolarHBondContact O-CD2 3.34Å; L87-Y112 HydrophobicContact CD2-CD2 4.13Å; L87-Y112 HydrophobicContact CD2-CE2 3.99Å; L88-Y112 HydrophobicContact CD1-CD1 4.37Å; L88-Y112 HydrophobicContact CD1-CE1 4.04Å; L88-Y112 HydrophobicContact CD1-CE2 4.3Å; L88-Y112 HydrophobicContact CD2-CD2 3.78Å; L88-Y112 HydrophobicContact CD2-CE2 4.05Å; L88-Y112 HydrophobicContact CD2-CG 4.03Å; L88-Y112 HydrophobicContact CG-CD2 4.22Å; L88-Y112 HydrophobicContact CG-CE2 3.97Å; Y112-H127 PolarHBondContact OH-CE1 3.5Å; Y112-H127 VanDerWaalsContact OH-CE1 3.29Å; Y112-H127 PolarHBondContact OH-ND1 3.46Å; Y112-H127 VanDerWaalsContact OH-ND1 3.16Å; Y112-E133 HydrophobicContact CE1-CB 3.96Å; Y112-E133 HydrophobicContact CE1-CG 4.17Å; Y112-E133 PolarHBondContact OH-OE1 3.07Å; Y112-L137 HydrophobicContact CD1-CD1 3.75Å; Y112-L137 HydrophobicContact CG-CD1 4.01Å; Y112-L159 CarbonylContact O-C 3.56Å; Y112-L159 WeakPolarHBondContact O-CA 3.48Å; Y112-F160 HydrophobicContact CD1-CB 4.42Å; Y112-F160 PolarHBondContact N-O 2.81Å; Y112-F160 PolarHBondContact O-N 3.2Å |
| 113 | S | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 160.7 | -177.2 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | L15 W157 Y158 | L15-S113 PolarHBondContact N-O 2.84Å; L15-S113 PolarHBondContact O-N 3.32Å; S113-W157 VanDerWaalsContact OG-CZ2 3.24Å; S113-W157 WeakPolarHBondContact OG-CZ2 3.31Å; S113-Y158 WeakPolarHBondContact CA-O 3.31Å; S113-Y158 WeakPolarHBondContact CB-O 3.38Å |
| 114 | R | 98.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 155.8 | 173.1 | 55.1 | 174.5 | -172 | 74.9 | 6.1 | 111.6 | E13 E133 W157 Y158 | E13-R114 WeakPolarHBondContact O-CB 3.37Å; R114-E133 IonicContact CZ-OE1 3.32Å; R114-E133 IonicContact CZ-OE2 3.73Å; R114-E133 VanDerWaalsContact NE-CD 3.27Å; R114-E133 IonicContact NE-OE1 3.91Å; R114-E133 PolarHBondContact NE-OE1 2.86Å; R114-E133 IonicContact NE-OE2 2.85Å; R114-E133 PolarHBondContact NE-OE2 3.02Å; R114-E133 IonicContact NH2-OE1 3.12Å; R114-E133 IonicContact NH2-OE2 2.86Å; R114-E133 PolarHBondContact NH2-OE2 2.82Å; R114-W157 VanDerWaalsContact C-CD1 3.5Å; R114-Y158 PolarHBondContact N-O 3.4Å; R114-Y158 VanDerWaalsContact N-O 3.08Å; R114-Y158 PolarHBondContact O-N 2.87Å |
| 115 | K | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 159.8 | 162.5 | -169.3 | -174.9 | 173.8 | -60.6 | 0 | 110 | T12 F117 D155 C156 L180 Y252 V281 | T12-K115 HydrophobicContact CG2-CB 3.81Å; K115-F117 PolarHBondContact O-N 3.26Å; K115-D155 WeakPolarHBondContact CE-OD1 3.37Å; K115-D155 IonicContact NZ-OD1 2.59Å; K115-D155 PolarHBondContact NZ-OD1 2.9Å; K115-C156 WeakPolarHBondContact CG-O 3.46Å; K115-L180 HydrophobicContact CB-CD1 3.87Å; K115-L180 HydrophobicContact CD-CB 4.32Å; K115-L180 HydrophobicContact CD-CD1 4.38Å; K115-Y252 HydrophobicContact CD-CE2 4.41Å; K115-V281 HydrophobicContact CD-CG2 4.07Å |
| 116 | N | 98.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 131.8 | 166.5 | 72.1 | -63.7 | 0 | 0 | 0 | 111.3 | C156 Y158 | N116-C156 PolarHBondContact N-O 2.87Å; N116-C156 PolarHBondContact OD1-N 2.74Å; N116-C156 VanDerWaalsContact OD1-N 3.09Å; N116-C156 PolarHBondContact OD1-O 2.71Å; N116-C156 VanDerWaalsContact OD1-O 3.1Å; N116-Y158 HydrophobicContact CB-CE2 3.95Å |
| 117 | F | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 153 | 177.6 | -62.7 | -54.7 | 0 | 0 | 0 | 112 | E10 T12 K14 K115 P120 Q123 | E10-F117 HydrophobicContact CG-CD1 3.78Å; E10-F117 HydrophobicContact CG-CE1 4.47Å; E10-F117 HydrophobicContact CG-CG 4.48Å; T12-F117 HydrophobicContact CG2-CD1 4.04Å; T12-F117 HydrophobicContact CG2-CE1 4.43Å; K14-F117 HydrophobicContact CG-CE1 4.32Å; K14-F117 HydrophobicContact CG-CZ 4.06Å; K115-F117 PolarHBondContact O-N 3.26Å; F117-P120 HydrophobicContact CB-CB 4.48Å; F117-P120 HydrophobicContact CB-CG 4.07Å; F117-Q123 HydrophobicContact CD2-CG 3.71Å; F117-Q123 HydrophobicContact CE2-CG 3.68Å; F117-Q123 HydrophobicContact CG-CG 4.19Å; F117-Q123 HydrophobicContact CZ-CG 4.14Å |
| 118 | M | 97.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -71 | -42.1 | 170.1 | -63.4 | -169.5 | -174.3 | 0 | 0 | 111.3 | F8 E10 F250 Y252 | F8-M118 HydrophobicContact CE2-CB 4.17Å; F8-M118 HydrophobicContact CE2-SD 4.5Å; F8-M118 HydrophobicContact CZ-CB 4.02Å; E10-M118 VanDerWaalsContact CD-N 3.33Å; E10-M118 PolarHBondContact OE1-N 2.63Å; E10-M118 PolarHBondContact OE2-N 2.96Å; M118-F250 HydrophobicContact SD-CB 3.78Å; M118-Y252 HydrophobicContact CE-CD2 4.01Å |
| 119 | K | 98.1 | Very high | 98 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | trans | -127.4 | 78.7 | 175.5 | -64.9 | -167.8 | -175.5 | 177.3 | 0 | 111.5 | F8 E10 A121 H122 | F8-K119 HydrophobicContact CD1-CB 4.48Å; F8-K119 HydrophobicContact CD1-CD 3.78Å; F8-K119 HydrophobicContact CD1-CG 4.38Å; F8-K119 HydrophobicContact CD2-CD 3.94Å; F8-K119 HydrophobicContact CD2-CG 4.4Å; F8-K119 HydrophobicContact CE1-CB 3.74Å; F8-K119 HydrophobicContact CE1-CD 3.79Å; F8-K119 HydrophobicContact CE1-CG 3.88Å; F8-K119 HydrophobicContact CE2-CD 3.96Å; F8-K119 HydrophobicContact CE2-CG 3.91Å; F8-K119 HydrophobicContact CG-CD 3.84Å; F8-K119 HydrophobicContact CZ-CB 3.79Å; F8-K119 HydrophobicContact CZ-CD 3.89Å; F8-K119 HydrophobicContact CZ-CG 3.63Å; E10-K119 PolarHBondContact OE2-N 3.08Å; K119-A121 PolarHBondContact O-N 2.96Å; K119-A121 VanDerWaalsContact O-N 3.1Å; K119-H122 HydrophobicContact CB-CB 4.34Å; K119-H122 WeakPolarHBondContact CD-NE2 3.39Å; K119-H122 WeakPolarHBondContact O-CB 3.37Å; K119-H122 PolarHBondContact O-N 3.08Å | ||
| 120 | P | 97.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -54.1 | -33.7 | 179.2 | -23.5 | 30.8 | 0 | 0 | 0 | 114.1 | F117 H122 Q123 | F117-P120 HydrophobicContact CB-CB 4.48Å; F117-P120 HydrophobicContact CB-CG 4.07Å; P120-H122 PolarHBondContact O-N 2.97Å; P120-Q123 WeakPolarHBondContact O-CB 3.45Å; P120-Q123 PolarHBondContact O-N 2.77Å; P120-Q123 VanDerWaalsContact O-N 3.1Å |
| 121 | A | 97.2 | Very high | 98.3 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 80% | 0.802 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -66.7 | -13.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K119 | K119-A121 PolarHBondContact O-N 2.96Å; K119-A121 VanDerWaalsContact O-N 3.1Å |
| 122 | H | 97.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 43% | 0.426 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -86.9 | -11.6 | 175.7 | -72.4 | -147 | 0 | 0 | 0 | 112.6 | F8 K119 P120 | F8-H122 AromaticContact CD1-ND1 3.62Å; K119-H122 HydrophobicContact CB-CB 4.34Å; K119-H122 WeakPolarHBondContact CD-NE2 3.39Å; K119-H122 WeakPolarHBondContact O-CB 3.37Å; K119-H122 PolarHBondContact O-N 3.08Å; P120-H122 PolarHBondContact O-N 2.97Å |
| 123 | Q | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | trans | -79.3 | 150.4 | 177.5 | -60.1 | -65.6 | -47 | 0 | 0 | 110 | K14 G83 F117 P120 H127 R128 | K14-Q123 VanDerWaalsContact CE-OE1 3.3Å; G83-Q123 PolarHBondContact O-NE2 2.76Å; G83-Q123 PolarHBondContact O-OE1 2.69Å; F117-Q123 HydrophobicContact CD2-CG 3.71Å; F117-Q123 HydrophobicContact CE2-CG 3.68Å; F117-Q123 HydrophobicContact CG-CG 4.19Å; F117-Q123 HydrophobicContact CZ-CG 4.14Å; P120-Q123 WeakPolarHBondContact O-CB 3.45Å; P120-Q123 PolarHBondContact O-N 2.77Å; P120-Q123 VanDerWaalsContact O-N 3.1Å; Q123-H127 HydrophobicContact CB-CB 4.18Å; Q123-H127 VanDerWaalsContact CB-O 3.29Å; Q123-H127 WeakPolarHBondContact CB-O 3.02Å; Q123-R128 WeakPolarHBondContact O-CG 3.44Å | ||
| 124 | E | 97.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 50.5 Ų | 50.5 | 55% | 0.547 | 25% | 0.254 | S | S | . | . | trans | -104.1 | 172.3 | 176.8 | -55.2 | -174 | 170.3 | 0 | 0 | 110.8 | L86 H127 R128 | L86-E124 HydrophobicContact CD2-CB 3.94Å; E124-H127 CarbonylContact O-C 3.53Å; E124-H127 VanDerWaalsContact O-CA 3.32Å; E124-H127 WeakPolarHBondContact O-CA 3.24Å; E124-H127 WeakPolarHBondContact O-CB 3.29Å; E124-H127 PolarHBondContact O-N 3.13Å; E124-R128 PolarHBondContact O-N 3.37Å | ||
| 125 | F | 97.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 135.8 | 175.3 | 175 | -89.4 | 0 | 0 | 0 | 111.2 | Q89 E132 F136 | Q89-F125 PolarHBondContact NE2-O 3.04Å; F125-E132 WeakPolarHBondContact CA-OE1 3.37Å; F125-E132 HydrophobicContact CD2-CG 3.87Å; F125-E132 WeakPolarHBondContact CD2-OE1 3.35Å; F125-E132 HydrophobicContact CE2-CG 4.02Å; F125-F136 HydrophobicContact CE1-CD2 4.15Å; F125-F136 HydrophobicContact CE1-CE2 4.34Å; F125-F136 AromaticContact CZ-CD2 3.89Å; F125-F136 HydrophobicContact CZ-CD2 3.89Å; F125-F136 HydrophobicContact CZ-CE2 4.49Å |
| 126 | P | 97.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -95 | 22 | 7 | 38.3 | -37.8 | 0 | 0 | 0 | 115 | L88 E132 E133 F136 | L88-P126 HydrophobicContact CB-CG 3.88Å; L88-P126 HydrophobicContact CD1-CG 4.35Å; P126-E132 VanDerWaalsContact C-OE1 3.22Å; P126-E132 WeakPolarHBondContact CA-OE1 3.31Å; P126-E132 HydrophobicContact CB-CG 4.46Å; P126-E132 WeakPolarHBondContact O-CG 3.47Å; P126-E133 WeakPolarHBondContact O-CG 3.15Å; P126-E133 PolarHBondContact O-N 3.07Å; P126-F136 HydrophobicContact CB-CB 3.81Å; P126-F136 HydrophobicContact CB-CD2 3.68Å; P126-F136 HydrophobicContact CB-CE2 4.4Å; P126-F136 HydrophobicContact CB-CG 3.75Å; P126-F136 HydrophobicContact CG-CB 4.46Å; P126-F136 HydrophobicContact CG-CD1 4.3Å; P126-F136 HydrophobicContact CG-CD2 3.94Å; P126-F136 HydrophobicContact CG-CE2 4.24Å; P126-F136 HydrophobicContact CG-CG 3.97Å |
| 127 | H | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -106.3 | 12 | -168.3 | -64.6 | -68.8 | 0 | 0 | 0 | 115.2 | L87 L88 Y112 Q123 E124 N129 E133 | L87-H127 PolarHBondContact N-NE2 3.33Å; L88-H127 PolarHBondContact N-NE2 2.95Å; Y112-H127 PolarHBondContact OH-CE1 3.5Å; Y112-H127 VanDerWaalsContact OH-CE1 3.29Å; Y112-H127 PolarHBondContact OH-ND1 3.46Å; Y112-H127 VanDerWaalsContact OH-ND1 3.16Å; Q123-H127 HydrophobicContact CB-CB 4.18Å; Q123-H127 VanDerWaalsContact CB-O 3.29Å; Q123-H127 WeakPolarHBondContact CB-O 3.02Å; E124-H127 CarbonylContact O-C 3.53Å; E124-H127 VanDerWaalsContact O-CA 3.32Å; E124-H127 WeakPolarHBondContact O-CA 3.24Å; E124-H127 WeakPolarHBondContact O-CB 3.29Å; E124-H127 PolarHBondContact O-N 3.13Å; H127-N129 PolarHBondContact O-N 3.47Å; H127-E133 IonicContact CE1-OE1 3.45Å; H127-E133 IonicContact CG-OE1 3.57Å; H127-E133 IonicContact ND1-OE1 3.52Å; H127-E133 PolarHBondContact ND1-OE1 2.86Å | ||
| 128 | R | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 56.2 Ų | 56.2 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -63.3 | -30 | -176.7 | -68.5 | 178.7 | -69.9 | -170.8 | 0.9 | 113 | Q123 E124 E132 | Q123-R128 WeakPolarHBondContact O-CG 3.44Å; E124-R128 PolarHBondContact O-N 3.37Å; R128-E132 WeakPolarHBondContact CB-OE1 2.83Å; R128-E132 WeakPolarHBondContact CG-OE1 3.29Å; R128-E132 IonicContact CZ-OE1 2.81Å; R128-E132 IonicContact CZ-OE2 2.94Å; R128-E132 PolarHBondContact N-OE1 2.87Å; R128-E132 VanDerWaalsContact NE-CD 3.31Å; R128-E132 IonicContact NE-OE1 3.69Å; R128-E132 PolarHBondContact NE-OE1 2.96Å; R128-E132 IonicContact NE-OE2 2.65Å; R128-E132 PolarHBondContact NE-OE2 2.68Å; R128-E132 IonicContact NH2-OE1 3.88Å; R128-E132 IonicContact NH2-OE2 3.74Å; R128-E132 PolarHBondContact NH2-OE2 3Å |
| 129 | N | 98.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -161.9 | 168.5 | 175.7 | 62 | 79.2 | 0 | 0 | 0 | 109.9 | H127 Q131 E132 E133 | H127-N129 PolarHBondContact O-N 3.47Å; N129-Q131 PolarHBondContact O-N 3.26Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.49Å; N129-Q131 PolarHBondContact OD1-N 3.2Å; N129-Q131 VanDerWaalsContact OD1-N 3.08Å; N129-E132 PolarHBondContact O-N 2.92Å; N129-E132 PolarHBondContact OD1-N 3.01Å; N129-E133 PolarHBondContact O-N 2.86Å |
| 130 | F | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.2 | -32.2 | -175.8 | -171.6 | -125.4 | 0 | 0 | 0 | 113.9 | E132 E133 V134 A146 Y158 L159 F160 | F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 PolarHBondContact O-N 3.33Å; F130-E133 VanDerWaalsContact CA-OE2 3.31Å; F130-E133 WeakPolarHBondContact CA-OE2 3.41Å; F130-E133 HydrophobicContact CD2-CB 4.34Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.32Å; F130-E133 PolarHBondContact O-N 3.31Å; F130-V134 HydrophobicContact CD1-CG2 4.21Å; F130-V134 HydrophobicContact CD2-CG2 4.42Å; F130-V134 HydrophobicContact CE1-CG2 3.89Å; F130-V134 HydrophobicContact CE2-CG2 4.1Å; F130-V134 HydrophobicContact CG-CG2 4.46Å; F130-V134 HydrophobicContact CZ-CG2 3.81Å; F130-V134 VanDerWaalsContact O-CG2 3.25Å; F130-V134 WeakPolarHBondContact O-CG2 3.29Å; F130-V134 PolarHBondContact O-N 3.28Å; F130-A146 HydrophobicContact CE1-CB 3.99Å; F130-A146 HydrophobicContact CZ-CB 4.06Å; F130-Y158 HydrophobicContact CB-CD1 3.88Å; F130-Y158 HydrophobicContact CB-CD2 4.27Å; F130-Y158 HydrophobicContact CB-CE1 4.07Å; F130-Y158 HydrophobicContact CB-CE2 4.44Å; F130-Y158 HydrophobicContact CB-CG 3.98Å; F130-Y158 AromaticContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CE1 4.08Å; F130-Y158 AromaticContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD2-CD1 4.28Å; F130-Y158 AromaticContact CD2-CG 3.92Å; F130-Y158 HydrophobicContact CD2-CG 3.92Å; F130-Y158 AromaticContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CG 4.34Å; F130-Y158 HydrophobicContact CE2-CG 4.43Å; F130-Y158 AromaticContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD2 4.36Å; F130-Y158 HydrophobicContact CG-CE1 4.24Å; F130-Y158 AromaticContact CG-CG 3.63Å; F130-Y158 HydrophobicContact CG-CG 3.63Å; F130-L159 WeakPolarHBondContact CZ-O 3.5Å; F130-F160 HydrophobicContact CZ-CB 4.45Å |
| 131 | Q | 98.8 | Very high | 98.2 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.4 | -175.2 | 61.6 | 53.6 | 0 | 0 | 111.3 | N129 E133 V134 D135 | N129-Q131 PolarHBondContact O-N 3.26Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.49Å; N129-Q131 PolarHBondContact OD1-N 3.2Å; N129-Q131 VanDerWaalsContact OD1-N 3.08Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.93Å; Q131-V134 WeakPolarHBondContact O-CB 3.19Å; Q131-V134 PolarHBondContact O-N 3.22Å; Q131-D135 PolarHBondContact NE2-OD1 3.45Å; Q131-D135 WeakPolarHBondContact O-CB 3.24Å; Q131-D135 PolarHBondContact O-N 3.17Å |
| 132 | E | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 176 | -174.7 | 169.3 | 101.6 | 0 | 0 | 112.7 | F125 P126 R128 N129 F130 V134 D135 F136 | F125-E132 WeakPolarHBondContact CA-OE1 3.37Å; F125-E132 HydrophobicContact CD2-CG 3.87Å; F125-E132 WeakPolarHBondContact CD2-OE1 3.35Å; F125-E132 HydrophobicContact CE2-CG 4.02Å; P126-E132 VanDerWaalsContact C-OE1 3.22Å; P126-E132 WeakPolarHBondContact CA-OE1 3.31Å; P126-E132 HydrophobicContact CB-CG 4.46Å; P126-E132 WeakPolarHBondContact O-CG 3.47Å; R128-E132 WeakPolarHBondContact CB-OE1 2.83Å; R128-E132 WeakPolarHBondContact CG-OE1 3.29Å; R128-E132 IonicContact CZ-OE1 2.81Å; R128-E132 IonicContact CZ-OE2 2.94Å; R128-E132 PolarHBondContact N-OE1 2.87Å; R128-E132 VanDerWaalsContact NE-CD 3.31Å; R128-E132 IonicContact NE-OE1 3.69Å; R128-E132 PolarHBondContact NE-OE1 2.96Å; R128-E132 IonicContact NE-OE2 2.65Å; R128-E132 PolarHBondContact NE-OE2 2.68Å; R128-E132 IonicContact NH2-OE1 3.88Å; R128-E132 IonicContact NH2-OE2 3.74Å; R128-E132 PolarHBondContact NH2-OE2 3Å; N129-E132 PolarHBondContact O-N 2.92Å; N129-E132 PolarHBondContact OD1-N 3.01Å; F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 PolarHBondContact O-N 3.33Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-D135 PolarHBondContact O-N 3.2Å; E132-F136 WeakPolarHBondContact O-CB 3.17Å; E132-F136 PolarHBondContact O-N 2.87Å |
| 133 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 175.3 | -64.2 | 167.6 | 135.1 | 0 | 0 | 111.1 | L88 Y112 R114 P126 H127 N129 F130 Q131 F136 L137 | L88-E133 HydrophobicContact CD1-CB 3.97Å; L88-E133 HydrophobicContact CD1-CG 4.12Å; Y112-E133 HydrophobicContact CE1-CB 3.96Å; Y112-E133 HydrophobicContact CE1-CG 4.17Å; Y112-E133 PolarHBondContact OH-OE1 3.07Å; R114-E133 IonicContact CZ-OE1 3.32Å; R114-E133 IonicContact CZ-OE2 3.73Å; R114-E133 VanDerWaalsContact NE-CD 3.27Å; R114-E133 IonicContact NE-OE1 3.91Å; R114-E133 PolarHBondContact NE-OE1 2.86Å; R114-E133 IonicContact NE-OE2 2.85Å; R114-E133 PolarHBondContact NE-OE2 3.02Å; R114-E133 IonicContact NH2-OE1 3.12Å; R114-E133 IonicContact NH2-OE2 2.86Å; R114-E133 PolarHBondContact NH2-OE2 2.82Å; P126-E133 WeakPolarHBondContact O-CG 3.15Å; P126-E133 PolarHBondContact O-N 3.07Å; H127-E133 IonicContact CE1-OE1 3.45Å; H127-E133 IonicContact CG-OE1 3.57Å; H127-E133 IonicContact ND1-OE1 3.52Å; H127-E133 PolarHBondContact ND1-OE1 2.86Å; N129-E133 PolarHBondContact O-N 2.86Å; F130-E133 VanDerWaalsContact CA-OE2 3.31Å; F130-E133 WeakPolarHBondContact CA-OE2 3.41Å; F130-E133 HydrophobicContact CD2-CB 4.34Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.32Å; F130-E133 PolarHBondContact O-N 3.31Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.93Å; E133-F136 PolarHBondContact O-N 2.58Å; E133-L137 WeakPolarHBondContact O-CB 3.38Å; E133-L137 WeakPolarHBondContact O-CG 3.22Å; E133-L137 PolarHBondContact O-N 3.3Å |
| 134 | V | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.8 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | F130 Q131 E132 F136 L137 S138 A146 F160 | F130-V134 HydrophobicContact CD1-CG2 4.21Å; F130-V134 HydrophobicContact CD2-CG2 4.42Å; F130-V134 HydrophobicContact CE1-CG2 3.89Å; F130-V134 HydrophobicContact CE2-CG2 4.1Å; F130-V134 HydrophobicContact CG-CG2 4.46Å; F130-V134 HydrophobicContact CZ-CG2 3.81Å; F130-V134 VanDerWaalsContact O-CG2 3.25Å; F130-V134 WeakPolarHBondContact O-CG2 3.29Å; F130-V134 PolarHBondContact O-N 3.28Å; Q131-V134 WeakPolarHBondContact O-CB 3.19Å; Q131-V134 PolarHBondContact O-N 3.22Å; E132-V134 VanDerWaalsContact C-N 3.34Å; V134-F136 VanDerWaalsContact C-N 3.33Å; V134-F136 PolarHBondContact O-N 2.76Å; V134-L137 PolarHBondContact O-N 3.01Å; V134-S138 VanDerWaalsContact O-CB 3.26Å; V134-S138 WeakPolarHBondContact O-CB 3.28Å; V134-S138 PolarHBondContact O-N 3.33Å; V134-S138 PolarHBondContact O-OG 3.08Å; V134-A146 HydrophobicContact CG1-CB 4.2Å; V134-A146 HydrophobicContact CG2-CB 3.54Å; V134-F160 HydrophobicContact CB-CD2 4.44Å; V134-F160 HydrophobicContact CG1-CD2 4.31Å; V134-F160 HydrophobicContact CG1-CE2 4.23Å; V134-F160 HydrophobicContact CG2-CD2 4.17Å |
| 135 | D | 98.7 | Very high | 98 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | -179.7 | -67 | -15.6 | 0 | 0 | 0 | 111.6 | Q131 E132 Q139 | Q131-D135 PolarHBondContact NE2-OD1 3.45Å; Q131-D135 WeakPolarHBondContact O-CB 3.24Å; Q131-D135 PolarHBondContact O-N 3.17Å; E132-D135 PolarHBondContact O-N 3.2Å; D135-Q139 WeakPolarHBondContact O-CG 3.5Å; D135-Q139 PolarHBondContact O-NE2 3.21Å |
| 136 | F | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -50.4 | 173.2 | -177.1 | -88.1 | 0 | 0 | 0 | 111.3 | L88 F125 P126 E132 E133 V134 S138 Q139 I140 | L88-F136 HydrophobicContact CB-CD1 3.98Å; L88-F136 HydrophobicContact CB-CE1 3.84Å; L88-F136 HydrophobicContact CD1-CD1 4.23Å; L88-F136 WeakPolarHBondContact O-CE1 3.42Å; F125-F136 HydrophobicContact CE1-CD2 4.15Å; F125-F136 HydrophobicContact CE1-CE2 4.34Å; F125-F136 AromaticContact CZ-CD2 3.89Å; F125-F136 HydrophobicContact CZ-CD2 3.89Å; F125-F136 HydrophobicContact CZ-CE2 4.49Å; P126-F136 HydrophobicContact CB-CB 3.81Å; P126-F136 HydrophobicContact CB-CD2 3.68Å; P126-F136 HydrophobicContact CB-CE2 4.4Å; P126-F136 HydrophobicContact CB-CG 3.75Å; P126-F136 HydrophobicContact CG-CB 4.46Å; P126-F136 HydrophobicContact CG-CD1 4.3Å; P126-F136 HydrophobicContact CG-CD2 3.94Å; P126-F136 HydrophobicContact CG-CE2 4.24Å; P126-F136 HydrophobicContact CG-CG 3.97Å; E132-F136 WeakPolarHBondContact O-CB 3.17Å; E132-F136 PolarHBondContact O-N 2.87Å; E133-F136 PolarHBondContact O-N 2.58Å; V134-F136 VanDerWaalsContact C-N 3.33Å; V134-F136 PolarHBondContact O-N 2.76Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 2.91Å; F136-Q139 WeakPolarHBondContact O-CB 3.49Å; F136-Q139 PolarHBondContact O-N 2.73Å; F136-I140 HydrophobicContact CD1-CD1 4.24Å; F136-I140 HydrophobicContact CE1-CD1 3.8Å |
| 137 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | -179.6 | -75.2 | 167.2 | 0 | 0 | 0 | 112.8 | L88 L91 F110 Y112 E133 V134 Q139 I140 F141 F160 | L88-L137 HydrophobicContact CD1-CD1 4.2Å; L88-L137 HydrophobicContact CD1-CG 4.15Å; L88-L137 HydrophobicContact CD2-CD1 4.15Å; L88-L137 HydrophobicContact CD2-CD2 3.63Å; L88-L137 HydrophobicContact CD2-CG 4.03Å; L91-L137 HydrophobicContact CD2-CD2 3.53Å; F110-L137 HydrophobicContact CE1-CD2 4.2Å; F110-L137 HydrophobicContact CZ-CD2 3.77Å; Y112-L137 HydrophobicContact CD1-CD1 3.75Å; Y112-L137 HydrophobicContact CG-CD1 4.01Å; E133-L137 WeakPolarHBondContact O-CB 3.38Å; E133-L137 WeakPolarHBondContact O-CG 3.22Å; E133-L137 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 3.01Å; L137-Q139 PolarHBondContact O-N 3.32Å; L137-I140 WeakPolarHBondContact O-CB 3.1Å; L137-I140 PolarHBondContact O-N 3.2Å; L137-F141 HydrophobicContact CD2-CE2 4.47Å; L137-F141 PolarHBondContact O-N 3.14Å; L137-F160 HydrophobicContact CB-CD1 4.17Å; L137-F160 HydrophobicContact CB-CD2 4.08Å; L137-F160 HydrophobicContact CB-CE1 3.8Å; L137-F160 HydrophobicContact CB-CE2 3.71Å; L137-F160 HydrophobicContact CB-CG 4.28Å; L137-F160 HydrophobicContact CB-CZ 3.53Å; L137-F160 HydrophobicContact CD1-CB 3.76Å; L137-F160 HydrophobicContact CD1-CD1 3.68Å; L137-F160 HydrophobicContact CD1-CD2 3.95Å; L137-F160 HydrophobicContact CD1-CE1 4.18Å; L137-F160 HydrophobicContact CD1-CE2 4.43Å; L137-F160 HydrophobicContact CD1-CG 3.53Å; L137-F160 HydrophobicContact CG-CD1 4.42Å; L137-F160 HydrophobicContact CG-CE1 4.45Å |
| 138 | S | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.9 | -18.4 | 179.1 | -58 | 0 | 0 | 0 | 0 | 113.2 | V134 F136 I140 | V134-S138 VanDerWaalsContact O-CB 3.26Å; V134-S138 WeakPolarHBondContact O-CB 3.28Å; V134-S138 PolarHBondContact O-N 3.33Å; V134-S138 PolarHBondContact O-OG 3.08Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 2.91Å; S138-I140 VanDerWaalsContact C-N 3.27Å |
| 139 | Q | 97.9 | Very high | 98.1 | Very high | 157 Ų | 157 | 52.2 Ų | 52.2 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.9 | 169.9 | -68.6 | 167 | 62.5 | 0 | 0 | 112.3 | D135 F136 L137 | D135-Q139 WeakPolarHBondContact O-CG 3.5Å; D135-Q139 PolarHBondContact O-NE2 3.21Å; F136-Q139 WeakPolarHBondContact O-CB 3.49Å; F136-Q139 PolarHBondContact O-N 2.73Å; L137-Q139 PolarHBondContact O-N 3.32Å |
| 140 | I | 97.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -43.2 | -177.9 | -54.6 | 170.6 | 0 | 0 | 0 | 110.1 | L91 V92 L95 F136 L137 S138 | L91-I140 HydrophobicContact CD2-CD1 3.71Å; L91-I140 HydrophobicContact CG-CD1 4.34Å; V92-I140 HydrophobicContact CG2-CD1 3.91Å; V92-I140 HydrophobicContact CG2-CG1 4.32Å; L95-I140 HydrophobicContact CD1-CG2 4.3Å; F136-I140 HydrophobicContact CD1-CD1 4.24Å; F136-I140 HydrophobicContact CE1-CD1 3.8Å; L137-I140 WeakPolarHBondContact O-CB 3.1Å; L137-I140 PolarHBondContact O-N 3.2Å; S138-I140 VanDerWaalsContact C-N 3.27Å |
| 141 | F | 96.9 | Very high | 98 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | trans | -121.2 | 116.9 | -175.2 | -56.7 | -59.1 | 0 | 0 | 0 | 111.9 | L91 L95 I107 F110 L137 N143 F160 L162 | L91-F141 HydrophobicContact CD2-CE2 3.89Å; L91-F141 HydrophobicContact CD2-CZ 4.4Å; L95-F141 HydrophobicContact CD1-CE1 4.41Å; L95-F141 HydrophobicContact CD1-CZ 4.14Å; I107-F141 HydrophobicContact CD1-CD1 4.48Å; I107-F141 HydrophobicContact CD1-CE1 3.34Å; I107-F141 HydrophobicContact CD1-CZ 3.4Å; F110-F141 AromaticContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CE2 3.91Å; F110-F141 HydrophobicContact CD2-CZ 4.14Å; F110-F141 HydrophobicContact CE1-CE2 4.29Å; F110-F141 AromaticContact CE2-CE2 3.61Å; F110-F141 HydrophobicContact CE2-CE2 3.61Å; F110-F141 HydrophobicContact CE2-CZ 4.1Å; F110-F141 HydrophobicContact CG-CE2 4.36Å; F110-F141 AromaticContact CZ-CE2 3.84Å; F110-F141 HydrophobicContact CZ-CE2 3.84Å; L137-F141 HydrophobicContact CD2-CE2 4.47Å; L137-F141 PolarHBondContact O-N 3.14Å; F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 3.33Å; F141-F160 HydrophobicContact CD2-CE1 4.35Å; F141-L162 HydrophobicContact CB-CD2 3.45Å; F141-L162 VanDerWaalsContact CB-CD2 3.45Å; F141-L162 HydrophobicContact CD1-CD1 4.26Å; F141-L162 HydrophobicContact CD1-CD2 4.3Å; F141-L162 HydrophobicContact CD2-CD2 3.94Å; F141-L162 HydrophobicContact CG-CD1 4.36Å; F141-L162 HydrophobicContact CG-CD2 3.65Å | ||
| 142 | P | 94.6 | Very high | 97.9 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 84% | 0.844 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18 | -178.5 | 30.6 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 143 | N | 96.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.342 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 33.1 | -177.9 | 63.7 | -39.7 | 0 | 0 | 0 | 112.3 | F141 D163 | F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 3.33Å; N143-D163 PolarHBondContact ND2-O 2.68Å; N143-D163 PolarHBondContact O-N 2.85Å |
| 144 | G | 97.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 145 | A | 98 | Very high | 97.8 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y147 F160 T161 | A145-Y147 HydrophobicContact CB-CE2 3.71Å; A145-F160 WeakPolarHBondContact O-CA 3.33Å; A145-T161 PolarHBondContact N-O 2.9Å; A145-T161 PolarHBondContact O-N 2.96Å |
| 146 | A | 98.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F130 V134 L159 F160 | F130-A146 HydrophobicContact CE1-CB 3.99Å; F130-A146 HydrophobicContact CZ-CB 4.06Å; V134-A146 HydrophobicContact CG1-CB 4.2Å; V134-A146 HydrophobicContact CG2-CB 3.54Å; A146-L159 CarbonylContact C-O 3.6Å; A146-L159 VanDerWaalsContact CA-O 3.28Å; A146-L159 WeakPolarHBondContact CA-O 3.21Å; A146-F160 HydrophobicContact CB-CD2 4.24Å |
| 147 | Y | 98.7 | Very high | 97.8 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.6 | -174.3 | -54.6 | -88.8 | 0 | 0 | 0 | 111.5 | A145 Y158 L159 T161 F315 | A145-Y147 HydrophobicContact CB-CE2 3.71Å; Y147-Y158 WeakPolarHBondContact O-CA 3.47Å; Y147-L159 HydrophobicContact CD2-CD2 4.24Å; Y147-L159 HydrophobicContact CD2-CG 4.49Å; Y147-L159 PolarHBondContact N-O 2.85Å; Y147-L159 PolarHBondContact O-N 2.98Å; Y147-T161 HydrophobicContact CE2-CG2 4.07Å; Y147-F315 AromaticContact CD1-CE1 3.75Å; Y147-F315 HydrophobicContact CD1-CE1 3.75Å; Y147-F315 HydrophobicContact CD1-CZ 4.49Å; Y147-F315 HydrophobicContact CD2-CD1 4.18Å; Y147-F315 AromaticContact CD2-CE1 3.54Å; Y147-F315 HydrophobicContact CD2-CE1 3.54Å; Y147-F315 HydrophobicContact CD2-CZ 4.1Å; Y147-F315 HydrophobicContact CE1-CD1 4.34Å; Y147-F315 AromaticContact CE1-CE1 3.79Å; Y147-F315 HydrophobicContact CE1-CE1 3.79Å; Y147-F315 AromaticContact CE2-CD1 3.8Å; Y147-F315 HydrophobicContact CE2-CD1 3.8Å; Y147-F315 AromaticContact CE2-CE1 3.58Å; Y147-F315 HydrophobicContact CE2-CE1 3.58Å; Y147-F315 AromaticContact CG-CE1 3.62Å; Y147-F315 HydrophobicContact CG-CE1 3.62Å; Y147-F315 HydrophobicContact CG-CZ 4.07Å; Y147-F315 AromaticContact CZ-CD1 3.88Å; Y147-F315 AromaticContact CZ-CE1 3.71Å |
| 148 | C | 98.7 | Very high | 97.8 | Very high | 43 Ų | 43 | 58 Ų | 58 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129 | 168.3 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | L152 Y158 | C148-L152 HydrophobicContact CB-CD2 4Å; C148-L152 WeakPolarHBondContact SG-CD2 3.36Å; C148-Y158 HydrophobicContact CB-CD1 3.88Å; C148-Y158 HydrophobicContact CB-CE1 3.96Å; C148-Y158 VanDerWaalsContact SG-CE1 3.53Å |
| 149 | M | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.4 | -177.7 | -61 | -67.1 | 178.3 | 0 | 0 | 110.4 | C156 W157 Q311 A313 F315 F320 F322 | M149-C156 CarbonylContact O-C 3.49Å; M149-C156 WeakPolarHBondContact O-CA 3.43Å; M149-C156 WeakPolarHBondContact O-CB 3.45Å; M149-W157 HydrophobicContact CB-CE3 4.5Å; M149-W157 HydrophobicContact CG-CE3 4.37Å; M149-W157 PolarHBondContact N-O 2.85Å; M149-W157 PolarHBondContact O-N 3.19Å; M149-Q311 HydrophobicContact SD-CB 4.37Å; M149-A313 HydrophobicContact CE-CB 3.4Å; M149-F315 HydrophobicContact CE-CE1 4.05Å; M149-F315 HydrophobicContact CE-CE2 4.29Å; M149-F315 HydrophobicContact CE-CZ 3.36Å; M149-F320 HydrophobicContact CB-CE1 4.2Å; M149-F320 HydrophobicContact CE-CD1 4.19Å; M149-F320 HydrophobicContact CE-CE1 4.3Å; M149-F320 HydrophobicContact CG-CD1 4.38Å; M149-F320 HydrophobicContact CG-CE1 3.59Å; M149-F320 HydrophobicContact CG-CZ 4.27Å; M149-F320 HydrophobicContact SD-CD1 4.46Å; M149-F320 HydrophobicContact SD-CE1 4.14Å; M149-F322 HydrophobicContact CB-CB 3.75Å; M149-F322 HydrophobicContact CB-CD1 4.39Å; M149-F322 HydrophobicContact CB-CD2 4.13Å; M149-F322 HydrophobicContact CB-CG 3.84Å; M149-F322 HydrophobicContact CG-CB 4.47Å |
| 150 | G | 98.1 | Very high | 97.8 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.4 | -153.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q311 | G150-Q311 VanDerWaalsContact N-CD 3.28Å; G150-Q311 PolarHBondContact O-NE2 2.71Å; G150-Q311 VanDerWaalsContact O-NE2 3.17Å |
| 151 | R | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | trans | -97.1 | 114 | -175 | -69.8 | -178.5 | -171.9 | 163.5 | 14.2 | 110.1 | N153 S154 D155 C156 L308 D309 | R151-N153 PolarHBondContact O-N 2.93Å; R151-N153 VanDerWaalsContact O-N 3.09Å; R151-S154 CarbonylContact O-C 3.11Å; R151-S154 VanDerWaalsContact O-C 3.25Å; R151-S154 PolarHBondContact O-N 3.07Å; R151-S154 VanDerWaalsContact O-O 3.07Å; R151-D155 PolarHBondContact N-O 2.84Å; R151-C156 WeakPolarHBondContact O-CB 3.43Å; R151-L308 PolarHBondContact NH2-O 2.93Å; R151-D309 WeakPolarHBondContact CD-OD2 3.39Å; R151-D309 WeakPolarHBondContact CG-OD2 3.39Å; R151-D309 IonicContact CZ-OD1 2.86Å; R151-D309 IonicContact CZ-OD2 3.76Å; R151-D309 IonicContact NE-OD1 3.8Å; R151-D309 PolarHBondContact NE-OD1 3.49Å; R151-D309 IonicContact NE-OD2 2.83Å; R151-D309 PolarHBondContact NE-OD2 3.23Å; R151-D309 IonicContact NH2-OD1 3.17Å; R151-D309 PolarHBondContact NH2-OD1 3.05Å; R151-D309 IonicContact NH2-OD2 2.68Å; R151-D309 PolarHBondContact NH2-OD2 2.91Å | ||
| 152 | L | 96.5 | Very high | 97.9 | Very high | 133 Ų | 133 | 45.1 Ų | 45.1 | 70% | 0.696 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -32.2 | 178.6 | -74.6 | 168.6 | 0 | 0 | 0 | 113.7 | C148 | C148-L152 HydrophobicContact CB-CD2 4Å; C148-L152 WeakPolarHBondContact SG-CD2 3.36Å |
| 153 | N | 96.6 | Very high | 97.8 | Very high | 145 Ų | 145 | 44 Ų | 44 | 78% | 0.775 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 13.1 | 179.2 | 67.6 | -34.9 | 0 | 0 | 0 | 113.6 | R151 | R151-N153 PolarHBondContact O-N 2.93Å; R151-N153 VanDerWaalsContact O-N 3.09Å |
| 154 | S | 97.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 42 Ų | 42 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -153.2 | -148.6 | 179.1 | -167 | 0 | 0 | 0 | 0 | 109.5 | R151 C156 | R151-S154 CarbonylContact O-C 3.11Å; R151-S154 VanDerWaalsContact O-C 3.25Å; R151-S154 PolarHBondContact O-N 3.07Å; R151-S154 VanDerWaalsContact O-O 3.07Å; S154-C156 PolarHBondContact O-N 2.71Å |
| 155 | D | 98.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.5 | 115.4 | 177.5 | -65.3 | -62.2 | 0 | 0 | 0 | 110.6 | K115 R151 K279 V281 | K115-D155 WeakPolarHBondContact CE-OD1 3.37Å; K115-D155 IonicContact NZ-OD1 2.59Å; K115-D155 PolarHBondContact NZ-OD1 2.9Å; R151-D155 PolarHBondContact N-O 2.84Å; D155-K279 IonicContact OD1-NZ 3.16Å; D155-K279 PolarHBondContact OD1-NZ 3.44Å; D155-K279 WeakPolarHBondContact OD2-CD 3.46Å; D155-K279 IonicContact OD2-NZ 3.48Å; D155-K279 PolarHBondContact OD2-NZ 2.82Å; D155-V281 HydrophobicContact CB-CG1 4.14Å |
| 156 | C | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 166.4 | 176.9 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | K115 N116 M149 R151 S154 | K115-C156 WeakPolarHBondContact CG-O 3.46Å; N116-C156 PolarHBondContact N-O 2.87Å; N116-C156 PolarHBondContact OD1-N 2.74Å; N116-C156 VanDerWaalsContact OD1-N 3.09Å; N116-C156 PolarHBondContact OD1-O 2.71Å; N116-C156 VanDerWaalsContact OD1-O 3.1Å; M149-C156 CarbonylContact O-C 3.49Å; M149-C156 WeakPolarHBondContact O-CA 3.43Å; M149-C156 WeakPolarHBondContact O-CB 3.45Å; R151-C156 WeakPolarHBondContact O-CB 3.43Å; S154-C156 PolarHBondContact O-N 2.71Å |
| 157 | W | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.3 | -177.4 | -176.4 | 95.6 | 0 | 0 | 0 | 110 | S113 R114 M149 L159 E178 T283 F285 F320 F322 | S113-W157 VanDerWaalsContact OG-CZ2 3.24Å; S113-W157 WeakPolarHBondContact OG-CZ2 3.31Å; R114-W157 VanDerWaalsContact C-CD1 3.5Å; M149-W157 HydrophobicContact CB-CE3 4.5Å; M149-W157 HydrophobicContact CG-CE3 4.37Å; M149-W157 PolarHBondContact N-O 2.85Å; M149-W157 PolarHBondContact O-N 3.19Å; W157-L159 HydrophobicContact CE3-CB 4.18Å; W157-L159 HydrophobicContact CH2-CB 3.79Å; W157-L159 HydrophobicContact CH2-CD1 3.96Å; W157-L159 HydrophobicContact CH2-CD2 4.35Å; W157-L159 HydrophobicContact CH2-CG 4.24Å; W157-L159 HydrophobicContact CZ3-CB 3.42Å; W157-L159 VanDerWaalsContact CZ3-CB 3.42Å; W157-L159 HydrophobicContact CZ3-CD1 4.42Å; W157-L159 HydrophobicContact CZ3-CD2 4.17Å; W157-L159 HydrophobicContact CZ3-CG 4.2Å; W157-E178 PolarHBondContact NE1-OE2 2.69Å; W157-T283 HydrophobicContact CB-CG2 4.44Å; W157-T283 HydrophobicContact CD2-CG2 3.76Å; W157-T283 HydrophobicContact CE3-CG2 4.36Å; W157-T283 HydrophobicContact CG-CG2 3.78Å; W157-T283 HydrophobicContact CZ2-CG2 4.26Å; W157-F285 AromaticContact CH2-CE2 3.57Å; W157-F285 HydrophobicContact CH2-CE2 3.57Å; W157-F285 AromaticContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CZ2-CE2 4.15Å; W157-F285 HydrophobicContact CZ3-CE2 4.42Å; W157-F285 HydrophobicContact CZ3-CZ 4.37Å; W157-F320 HydrophobicContact CE3-CE2 4.3Å; W157-F320 AromaticContact CE3-CZ 3.74Å; W157-F320 HydrophobicContact CE3-CZ 3.74Å; W157-F320 AromaticContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CZ 4.15Å; W157-F320 HydrophobicContact CZ3-CE1 4.36Å; W157-F320 AromaticContact CZ3-CE2 3.66Å; W157-F320 HydrophobicContact CZ3-CE2 3.66Å; W157-F320 AromaticContact CZ3-CZ 3.49Å; W157-F320 HydrophobicContact CZ3-CZ 3.49Å; W157-F320 VanDerWaalsContact CZ3-CZ 3.49Å; W157-F322 HydrophobicContact CB-CD2 3.93Å; W157-F322 HydrophobicContact CB-CE2 3.84Å |
| 158 | Y | 98.9 | Very high | 92 | Very high | 41 Ų | 41 | 59 Ų | 59 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.2 | -174.1 | -59.8 | -68.6 | 0 | 0 | 0 | 110.6 | S113 R114 N116 F130 Y147 C148 | S113-Y158 WeakPolarHBondContact CA-O 3.31Å; S113-Y158 WeakPolarHBondContact CB-O 3.38Å; R114-Y158 PolarHBondContact N-O 3.4Å; R114-Y158 VanDerWaalsContact N-O 3.08Å; R114-Y158 PolarHBondContact O-N 2.87Å; N116-Y158 HydrophobicContact CB-CE2 3.95Å; F130-Y158 HydrophobicContact CB-CD1 3.88Å; F130-Y158 HydrophobicContact CB-CD2 4.27Å; F130-Y158 HydrophobicContact CB-CE1 4.07Å; F130-Y158 HydrophobicContact CB-CE2 4.44Å; F130-Y158 HydrophobicContact CB-CG 3.98Å; F130-Y158 AromaticContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CD1 3.36Å; F130-Y158 HydrophobicContact CD1-CE1 4.08Å; F130-Y158 AromaticContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD1-CG 3.86Å; F130-Y158 HydrophobicContact CD2-CD1 4.28Å; F130-Y158 AromaticContact CD2-CG 3.92Å; F130-Y158 HydrophobicContact CD2-CG 3.92Å; F130-Y158 AromaticContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CD1 3.95Å; F130-Y158 HydrophobicContact CE1-CG 4.34Å; F130-Y158 HydrophobicContact CE2-CG 4.43Å; F130-Y158 AromaticContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD1 3.57Å; F130-Y158 HydrophobicContact CG-CD2 4.36Å; F130-Y158 HydrophobicContact CG-CE1 4.24Å; F130-Y158 AromaticContact CG-CG 3.63Å; F130-Y158 HydrophobicContact CG-CG 3.63Å; Y147-Y158 WeakPolarHBondContact O-CA 3.47Å; C148-Y158 HydrophobicContact CB-CD1 3.88Å; C148-Y158 HydrophobicContact CB-CE1 3.96Å; C148-Y158 VanDerWaalsContact SG-CE1 3.53Å |
| 159 | L | 98.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.8 | 177 | 172.5 | 65.7 | 0 | 0 | 0 | 111.1 | F111 Y112 F130 A146 Y147 W157 T161 F285 F315 | F111-L159 HydrophobicContact CB-CD1 4.05Å; F111-L159 HydrophobicContact CD1-CD1 3.81Å; F111-L159 HydrophobicContact CG-CD1 4.42Å; Y112-L159 CarbonylContact O-C 3.56Å; Y112-L159 WeakPolarHBondContact O-CA 3.48Å; F130-L159 WeakPolarHBondContact CZ-O 3.5Å; A146-L159 CarbonylContact C-O 3.6Å; A146-L159 VanDerWaalsContact CA-O 3.28Å; A146-L159 WeakPolarHBondContact CA-O 3.21Å; Y147-L159 HydrophobicContact CD2-CD2 4.24Å; Y147-L159 HydrophobicContact CD2-CG 4.49Å; Y147-L159 PolarHBondContact N-O 2.85Å; Y147-L159 PolarHBondContact O-N 2.98Å; W157-L159 HydrophobicContact CE3-CB 4.18Å; W157-L159 HydrophobicContact CH2-CB 3.79Å; W157-L159 HydrophobicContact CH2-CD1 3.96Å; W157-L159 HydrophobicContact CH2-CD2 4.35Å; W157-L159 HydrophobicContact CH2-CG 4.24Å; W157-L159 HydrophobicContact CZ3-CB 3.42Å; W157-L159 VanDerWaalsContact CZ3-CB 3.42Å; W157-L159 HydrophobicContact CZ3-CD1 4.42Å; W157-L159 HydrophobicContact CZ3-CD2 4.17Å; W157-L159 HydrophobicContact CZ3-CG 4.2Å; L159-T161 HydrophobicContact CD2-CG2 4.33Å; L159-F285 HydrophobicContact CD1-CZ 4.29Å; L159-F285 HydrophobicContact CD2-CE1 4.34Å; L159-F285 HydrophobicContact CD2-CZ 3.92Å; L159-F315 HydrophobicContact CD2-CD2 3.84Å; L159-F315 HydrophobicContact CD2-CE1 4.17Å; L159-F315 HydrophobicContact CD2-CE2 3.37Å; L159-F315 HydrophobicContact CD2-CG 4.37Å; L159-F315 HydrophobicContact CD2-CZ 3.52Å |
| 160 | F | 98.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.6 | 158.2 | -175.4 | -75.5 | 0 | 0 | 0 | 108.4 | F110 F111 Y112 F130 V134 L137 F141 A145 A146 L162 | F110-F160 HydrophobicContact CD1-CD1 4.23Å; F110-F160 AromaticContact CE1-CD1 3.82Å; F110-F160 HydrophobicContact CE1-CD1 3.82Å; F110-F160 HydrophobicContact CE1-CE1 4.27Å; F111-F160 WeakPolarHBondContact CA-O 3.35Å; Y112-F160 HydrophobicContact CD1-CB 4.42Å; Y112-F160 PolarHBondContact N-O 2.81Å; Y112-F160 PolarHBondContact O-N 3.2Å; F130-F160 HydrophobicContact CZ-CB 4.45Å; V134-F160 HydrophobicContact CB-CD2 4.44Å; V134-F160 HydrophobicContact CG1-CD2 4.31Å; V134-F160 HydrophobicContact CG1-CE2 4.23Å; V134-F160 HydrophobicContact CG2-CD2 4.17Å; L137-F160 HydrophobicContact CB-CD1 4.17Å; L137-F160 HydrophobicContact CB-CD2 4.08Å; L137-F160 HydrophobicContact CB-CE1 3.8Å; L137-F160 HydrophobicContact CB-CE2 3.71Å; L137-F160 HydrophobicContact CB-CG 4.28Å; L137-F160 HydrophobicContact CB-CZ 3.53Å; L137-F160 HydrophobicContact CD1-CB 3.76Å; L137-F160 HydrophobicContact CD1-CD1 3.68Å; L137-F160 HydrophobicContact CD1-CD2 3.95Å; L137-F160 HydrophobicContact CD1-CE1 4.18Å; L137-F160 HydrophobicContact CD1-CE2 4.43Å; L137-F160 HydrophobicContact CD1-CG 3.53Å; L137-F160 HydrophobicContact CG-CD1 4.42Å; L137-F160 HydrophobicContact CG-CE1 4.45Å; F141-F160 HydrophobicContact CD2-CE1 4.35Å; A145-F160 WeakPolarHBondContact O-CA 3.33Å; A146-F160 HydrophobicContact CB-CD2 4.24Å; F160-L162 HydrophobicContact CE1-CD2 4.04Å |
| 161 | T | 98.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 177.5 | 174.3 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | F110 F111 A145 Y147 L159 | F110-T161 WeakPolarHBondContact O-CA 3.34Å; F110-T161 WeakPolarHBondContact O-CB 3.28Å; F110-T161 PolarHBondContact O-OG1 2.87Å; F111-T161 WeakPolarHBondContact CE1-OG1 3.22Å; A145-T161 PolarHBondContact N-O 2.9Å; A145-T161 PolarHBondContact O-N 2.96Å; Y147-T161 HydrophobicContact CE2-CG2 4.07Å; L159-T161 HydrophobicContact CD2-CG2 4.33Å |
| 162 | L | 96.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.8 | 177.4 | -60 | 179.3 | 0 | 0 | 0 | 109.9 | I107 F110 F141 F160 L164 N316 | I107-L162 HydrophobicContact CG2-CD1 4.1Å; F110-L162 HydrophobicContact CB-CD1 3.67Å; F110-L162 HydrophobicContact CB-CG 3.83Å; F110-L162 HydrophobicContact CD1-CG 4.29Å; F110-L162 HydrophobicContact CG-CD1 4.27Å; F110-L162 HydrophobicContact CG-CG 4.28Å; F141-L162 HydrophobicContact CB-CD2 3.45Å; F141-L162 VanDerWaalsContact CB-CD2 3.45Å; F141-L162 HydrophobicContact CD1-CD1 4.26Å; F141-L162 HydrophobicContact CD1-CD2 4.3Å; F141-L162 HydrophobicContact CD2-CD2 3.94Å; F141-L162 HydrophobicContact CG-CD1 4.36Å; F141-L162 HydrophobicContact CG-CD2 3.65Å; F160-L162 HydrophobicContact CE1-CD2 4.04Å; L162-L164 HydrophobicContact CB-CD2 4.26Å; L162-L164 PolarHBondContact O-N 3.43Å; L162-N316 PolarHBondContact O-ND2 3.46Å |
| 163 | D | 92.8 | Very high | 87.7 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | trans | -72.9 | 111.6 | 169.7 | -169.4 | 20.5 | 0 | 0 | 0 | 108.3 | N143 | N143-D163 PolarHBondContact ND2-O 2.68Å; N143-D163 PolarHBondContact O-N 2.85Å | ||
| 164 | L | 87.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | trans | -100.9 | 149.3 | -175.4 | -62.1 | 177.4 | 0 | 0 | 0 | 109.7 | E108 L162 W168 N316 | E108-L164 VanDerWaalsContact O-CD1 3.28Å; E108-L164 WeakPolarHBondContact O-CD1 3.43Å; L162-L164 HydrophobicContact CB-CD2 4.26Å; L162-L164 PolarHBondContact O-N 3.43Å; L164-W168 HydrophobicContact CB-CB 4.45Å; L164-W168 HydrophobicContact CD1-CG 4.35Å; L164-N316 HydrophobicContact CB-CB 4.48Å; L164-N316 PolarHBondContact N-OD1 2.88Å | ||
| 165 | P | 80.5 | Confident | 87.6 | Confident | 66 Ų | 66 | 63 Ų | 63 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | trans | -57.6 | 141.1 | 177.2 | -22 | 32.2 | 0 | 0 | 0 | 112.5 | Y167 W168 | P165-Y167 HydrophobicContact CB-CD1 3.75Å; P165-Y167 HydrophobicContact CB-CE1 3.26Å; P165-Y167 HydrophobicContact CB-CE2 4.25Å; P165-Y167 HydrophobicContact CB-CG 4.43Å; P165-Y167 HydrophobicContact CG-CE1 4.1Å; P165-Y167 PolarHBondContact O-N 2.97Å; P165-W168 VanDerWaalsContact O-CB 3.25Å; P165-W168 WeakPolarHBondContact O-CB 3.43Å; P165-W168 PolarHBondContact O-N 2.83Å | ||
| 166 | E | 66.4 | Low | 87.6 | Confident | 202 Ų | 202 | 62.5 Ų | 62.5 | 94% | 0.944 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.2 | -175 | -74.2 | -174.7 | 164 | 0 | 0 | 115.4 | W168 | E166-W168 VanDerWaalsContact C-N 3.25Å; E166-W168 PolarHBondContact O-N 3.17Å |
| 167 | Y | 66.4 | Low | 87.6 | Confident | 195 Ų | 195 | 62.5 Ų | 62.5 | 77% | 0.765 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.7 | 178.6 | 60.6 | -99.3 | 0 | 0 | 0 | 113.6 | P165 E169 | P165-Y167 HydrophobicContact CB-CD1 3.75Å; P165-Y167 HydrophobicContact CB-CE1 3.26Å; P165-Y167 HydrophobicContact CB-CE2 4.25Å; P165-Y167 HydrophobicContact CB-CG 4.43Å; P165-Y167 HydrophobicContact CG-CE1 4.1Å; P165-Y167 PolarHBondContact O-N 2.97Å; Y167-E169 PolarHBondContact O-N 2.83Å |
| 168 | W | 66.5 | Low | 87.6 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -78 | 102.7 | 178.3 | -172.5 | -95.6 | 0 | 0 | 0 | 110.4 | E108 L164 P165 E166 | E108-W168 HydrophobicContact CB-CH2 4.27Å; E108-W168 HydrophobicContact CB-CZ2 3.85Å; E108-W168 VanDerWaalsContact CD-CZ2 3.42Å; E108-W168 HydrophobicContact CG-CH2 4.18Å; E108-W168 HydrophobicContact CG-CZ2 3.34Å; L164-W168 HydrophobicContact CB-CB 4.45Å; L164-W168 HydrophobicContact CD1-CG 4.35Å; P165-W168 VanDerWaalsContact O-CB 3.25Å; P165-W168 WeakPolarHBondContact O-CB 3.43Å; P165-W168 PolarHBondContact O-N 2.83Å; E166-W168 VanDerWaalsContact C-N 3.25Å; E166-W168 PolarHBondContact O-N 3.17Å | ||
| 169 | E | 66.3 | Low | 87.6 | Confident | 137 Ų | 137 | 60.9 Ų | 60.9 | 64% | 0.64 | 29% | 0.29 | S | S | * | . | trans | -116.7 | 121.5 | 172.1 | -74.1 | -172 | 165.4 | 0 | 0 | 111 | Y167 K171 | Y167-E169 PolarHBondContact O-N 2.83Å; E169-K171 PolarHBondContact O-N 2.81Å | ||
| 170 | N | 73.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | trans | -74.7 | 108.5 | 168.3 | -166.1 | -14.6 | 0 | 0 | 0 | 110.4 | K172 D317 | N170-K172 PolarHBondContact O-N 3.48Å; N170-K172 WeakPolarHBondContact OD1-CB 3.35Å; N170-K172 PolarHBondContact OD1-N 2.86Å; N170-D317 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 171 | K | 78.8 | Confident | 87.6 | Confident | 180 Ų | 180 | 61 Ų | 61 | 78% | 0.783 | 29% | 0.29 | S | S | * | . | trans | -72.9 | -11.7 | 178.9 | -64.1 | -174.9 | 179.8 | 179.3 | 0 | 113.6 | E169 | E169-K171 PolarHBondContact O-N 2.81Š| ||
| 172 | K | 88.6 | Confident | 87.6 | Confident | 159 Ų | 159 | 61.1 Ų | 61.1 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -91.9 | 133.1 | 178.1 | -65.7 | -177.6 | -179.1 | 175.7 | 0 | 109.3 | N170 D174 N287 | N170-K172 PolarHBondContact O-N 3.48Å; N170-K172 WeakPolarHBondContact OD1-CB 3.35Å; N170-K172 PolarHBondContact OD1-N 2.86Å; K172-D174 PolarHBondContact O-N 3.04Å; K172-N287 PolarHBondContact O-ND2 3.46Å |
| 173 | A | 93 | Very high | 87.7 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | trans | -59.4 | 125.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S289 | A173-S289 VanDerWaalsContact CB-O 3.32Å; A173-S289 WeakPolarHBondContact CB-O 3.21Å | ||
| 174 | D | 95.3 | Very high | 88 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | trans | -144.4 | 142.5 | 178.3 | -170.8 | 51.5 | 0 | 0 | 0 | 110.8 | R76 K172 N287 Y318 | R76-D174 IonicContact NH1-OD1 2.8Å; K172-D174 PolarHBondContact O-N 3.04Å; D174-N287 PolarHBondContact N-ND2 3.22Å; D174-N287 PolarHBondContact N-OD1 3.43Å; D174-N287 VanDerWaalsContact N-OD1 3.08Å; D174-N287 PolarHBondContact O-N 2.99Å; D174-N287 PolarHBondContact O-OD1 3.16Å; D174-Y318 HydrophobicContact CB-CE1 4.39Å; D174-Y318 WeakPolarHBondContact OD2-CE1 3.34Å; D174-Y318 PolarHBondContact OD2-OH 3.02Å | ||
| 175 | Q | 96.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 146.1 | -179.8 | 60.6 | -70.8 | -51.6 | 0 | 0 | 109.5 | N258 Y264 F285 S290 | Q175-N258 PolarHBondContact NE2-O 2.79Å; Q175-N258 WeakPolarHBondContact O-CA 3.28Å; Q175-N258 WeakPolarHBondContact O-CB 3.23Å; Q175-Y264 WeakPolarHBondContact CG-OH 3.34Å; Q175-F285 CarbonylContact C-O 3.6Å; Q175-F285 WeakPolarHBondContact CA-O 3.43Å; Q175-F285 VanDerWaalsContact CB-O 3.28Å; Q175-F285 WeakPolarHBondContact CB-O 3.43Å; Q175-S290 PolarHBondContact OE1-OG 3.42Å |
| 176 | T | 98.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 123.1 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | E256 T257 L284 F285 | T176-E256 HydrophobicContact CG2-CG 4.08Å; T176-T257 WeakPolarHBondContact CA-O 3.17Å; T176-L284 WeakPolarHBondContact O-CA 3.3Å; T176-F285 PolarHBondContact N-O 3.44Å; T176-F285 PolarHBondContact O-N 3.42Å |
| 177 | L | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.8 | 172 | 172.2 | 72.2 | 0 | 0 | 0 | 108.8 | V179 F255 E256 T257 Y264 L267 I268 T283 L284 | L177-V179 HydrophobicContact CD1-CG2 4.42Å; L177-V179 HydrophobicContact CD2-CG2 4.15Å; L177-V179 HydrophobicContact CG-CG2 4.24Å; L177-F255 HydrophobicContact CD2-CE1 4.33Å; L177-E256 CarbonylContact O-C 3.53Å; L177-E256 VanDerWaalsContact O-CA 3.3Å; L177-E256 WeakPolarHBondContact O-CA 3.31Å; L177-T257 HydrophobicContact CB-CG2 4.31Å; L177-T257 PolarHBondContact N-O 2.76Å; L177-T257 PolarHBondContact O-N 3.21Å; L177-Y264 HydrophobicContact CB-CD1 4.16Å; L177-Y264 HydrophobicContact CB-CE1 3.98Å; L177-Y264 HydrophobicContact CD2-CD1 3.48Å; L177-Y264 VanDerWaalsContact CD2-CD1 3.48Å; L177-Y264 HydrophobicContact CD2-CE1 4.04Å; L177-Y264 HydrophobicContact CD2-CG 4.03Å; L177-Y264 HydrophobicContact CG-CD1 4.31Å; L177-L267 HydrophobicContact CD2-CD2 4.12Å; L177-I268 HydrophobicContact CD1-CD1 4.14Å; L177-I268 HydrophobicContact CD1-CG1 4.3Å; L177-I268 HydrophobicContact CD2-CG1 3.96Å; L177-T283 CarbonylContact C-O 3.48Å; L177-T283 WeakPolarHBondContact CA-O 3.41Å; L177-L284 HydrophobicContact CB-CD1 4.13Å; L177-L284 HydrophobicContact CD1-CB 4.42Å; L177-L284 HydrophobicContact CD1-CD1 4.47Å |
| 178 | E | 98.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.9 | 158.9 | -49.4 | 176.2 | 86.7 | 0 | 0 | 111.3 | K80 W157 L180 F255 E256 T282 T283 | K80-E178 IonicContact NZ-OE1 3.32Å; K80-E178 PolarHBondContact NZ-OE1 2.84Å; W157-E178 PolarHBondContact NE1-OE2 2.69Å; E178-L180 HydrophobicContact CB-CD2 4.04Å; E178-L180 HydrophobicContact CB-CG 4.22Å; E178-F255 CarbonylContact C-O 3.46Å; E178-F255 VanDerWaalsContact CA-O 3.23Å; E178-F255 WeakPolarHBondContact CA-O 3.34Å; E178-E256 HydrophobicContact CG-CB 4.25Å; E178-E256 HydrophobicContact CG-CG 4.02Å; E178-T282 WeakPolarHBondContact O-CA 3.34Å; E178-T283 WeakPolarHBondContact CB-OG1 3.31Å; E178-T283 WeakPolarHBondContact CG-OG1 3.29Å; E178-T283 PolarHBondContact N-O 2.63Å; E178-T283 PolarHBondContact O-N 3.25Å; E178-T283 VanDerWaalsContact O-N 3.11Å; E178-T283 PolarHBondContact OE2-OG1 2.93Å |
| 179 | V | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 109.1 | 168.4 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | L177 M181 F255 I268 V271 V272 F280 T282 | L177-V179 HydrophobicContact CD1-CG2 4.42Å; L177-V179 HydrophobicContact CD2-CG2 4.15Å; L177-V179 HydrophobicContact CG-CG2 4.24Å; V179-M181 HydrophobicContact CG1-CE 4.28Å; V179-M181 HydrophobicContact CG1-CG 4.01Å; V179-M181 HydrophobicContact CG1-SD 4.16Å; V179-F255 HydrophobicContact CB-CB 4.3Å; V179-F255 HydrophobicContact CB-CD1 4.36Å; V179-F255 HydrophobicContact CG2-CD1 4.08Å; V179-F255 PolarHBondContact N-O 3.48Å; V179-F255 PolarHBondContact O-N 3.18Å; V179-I268 HydrophobicContact CG2-CG1 4.13Å; V179-V271 HydrophobicContact CB-CG1 4.24Å; V179-V271 HydrophobicContact CG1-CG1 4.14Å; V179-V272 HydrophobicContact CG1-CG2 4.44Å; V179-F280 HydrophobicContact CG1-CD2 3.89Å; V179-F280 HydrophobicContact CG1-CE2 4.48Å; V179-T282 HydrophobicContact CG1-CG2 4.37Å; V179-T282 HydrophobicContact CG2-CG2 4.2Å |
| 180 | L | 98.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.1 | -172.1 | -51.1 | 179.3 | 0 | 0 | 0 | 109.3 | K115 E178 F280 V281 | K115-L180 HydrophobicContact CB-CD1 3.87Å; K115-L180 HydrophobicContact CD-CB 4.32Å; K115-L180 HydrophobicContact CD-CD1 4.38Å; E178-L180 HydrophobicContact CB-CD2 4.04Å; E178-L180 HydrophobicContact CB-CG 4.22Å; L180-F280 CarbonylContact O-C 3.48Å; L180-F280 WeakPolarHBondContact O-CA 3.32Å; L180-F280 VanDerWaalsContact O-CB 3.28Å; L180-F280 WeakPolarHBondContact O-CB 3.44Å; L180-V281 HydrophobicContact CB-CG2 3.8Å; L180-V281 HydrophobicContact CD1-CG2 4.11Å; L180-V281 HydrophobicContact CG-CG2 4.29Å; L180-V281 PolarHBondContact N-O 3.32Å; L180-V281 PolarHBondContact O-N 2.97Å |
| 181 | M | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.1 | -161.5 | -68.7 | 171.1 | -80.3 | 0 | 0 | 111.5 | V179 L184 Y252 V253 F255 V271 F275 P277 F280 | V179-M181 HydrophobicContact CG1-CE 4.28Å; V179-M181 HydrophobicContact CG1-CG 4.01Å; V179-M181 HydrophobicContact CG1-SD 4.16Å; M181-L184 HydrophobicContact CB-CD2 4.36Å; M181-Y252 WeakPolarHBondContact O-CA 3.32Å; M181-Y252 VanDerWaalsContact O-CD2 3.28Å; M181-Y252 WeakPolarHBondContact O-CD2 3.43Å; M181-V253 HydrophobicContact CB-CB 4.23Å; M181-V253 WeakPolarHBondContact CB-O 3.21Å; M181-V253 HydrophobicContact CE-CB 3.82Å; M181-V253 HydrophobicContact CE-CG1 3.45Å; M181-V253 VanDerWaalsContact CE-CG1 3.45Å; M181-V253 PolarHBondContact N-O 2.85Å; M181-V253 PolarHBondContact O-N 2.98Å; M181-F255 HydrophobicContact CE-CB 4.29Å; M181-V271 HydrophobicContact CE-CG1 3.72Å; M181-V271 HydrophobicContact SD-CG1 4.03Å; M181-F275 HydrophobicContact CE-CB 4.42Å; M181-F275 HydrophobicContact CE-CD2 3.72Å; M181-F275 HydrophobicContact CE-CE2 4.32Å; M181-F275 HydrophobicContact CE-CG 4.24Å; M181-F275 HydrophobicContact SD-CB 3.74Å; M181-F275 HydrophobicContact SD-CD2 3.99Å; M181-F275 HydrophobicContact SD-CG 4.19Å; M181-P277 HydrophobicContact CB-CB 3.91Å; M181-P277 HydrophobicContact CB-CG 4.36Å; M181-P277 HydrophobicContact CG-CB 4.05Å; M181-P277 HydrophobicContact CG-CG 3.94Å; M181-P277 HydrophobicContact SD-CG 4.12Å; M181-F280 HydrophobicContact CB-CB 4.29Å; M181-F280 HydrophobicContact CG-CB 3.7Å; M181-F280 HydrophobicContact CG-CG 4.5Å |
| 182 | S | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 167 | 176.2 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | G278 K279 | S182-G278 PolarHBondContact O-N 2.88Å; S182-G278 VanDerWaalsContact O-N 3.16Å; S182-K279 PolarHBondContact N-O 2.92Å; S182-K279 PolarHBondContact O-N 2.8Å; S182-K279 VanDerWaalsContact O-O 3.12Å |
| 183 | D | 98.3 | Very high | 98 | Very high | 99 Ų | 99 | 31.4 Ų | 31.4 | 53% | 0.529 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 56.8 | 50.9 | -179.3 | -52.4 | -34.2 | 0 | 0 | 0 | 111 | G278 K279 | D183-G278 WeakPolarHBondContact O-CA 3.25Å; D183-G278 PolarHBondContact O-N 2.84Å; D183-K279 WeakPolarHBondContact OD2-CE 3.26Å |
| 184 | L | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -74.1 | 155.4 | -172.9 | -65.2 | 107.5 | 0 | 0 | 0 | 112.3 | M181 P186 M189 S251 V253 F275 | M181-L184 HydrophobicContact CB-CD2 4.36Å; L184-P186 VanDerWaalsContact O-CD 3.28Å; L184-P186 WeakPolarHBondContact O-CD 3.45Å; L184-M189 HydrophobicContact CB-CE 3.91Å; L184-M189 HydrophobicContact CB-CG 3.72Å; L184-M189 HydrophobicContact CB-SD 3.69Å; L184-M189 HydrophobicContact CD1-SD 4.21Å; L184-M189 HydrophobicContact CD2-CE 3.62Å; L184-M189 HydrophobicContact CD2-SD 4.02Å; L184-M189 HydrophobicContact CG-CE 4.31Å; L184-M189 HydrophobicContact CG-SD 4.18Å; L184-S251 VanDerWaalsContact CD1-C 3.47Å; L184-S251 PolarHBondContact N-OG 3.36Å; L184-V253 HydrophobicContact CD1-CB 4.47Å; L184-V253 HydrophobicContact CD1-CG2 3.96Å; L184-V253 HydrophobicContact CD2-CB 3.9Å; L184-V253 HydrophobicContact CD2-CG2 3.36Å; L184-V253 HydrophobicContact CG-CG2 4.31Å; L184-F275 HydrophobicContact CD2-CB 3.82Å | ||
| 185 | D | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 37 Ų | 37 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | trans | -62 | 118.8 | 177 | -172.6 | -42.7 | 0 | 0 | 0 | 110.3 | A187 I188 M189 K276 | D185-A187 PolarHBondContact O-N 2.91Å; D185-A187 WeakPolarHBondContact OD1-CB 3.5Å; D185-A187 PolarHBondContact OD1-N 2.83Å; D185-I188 HydrophobicContact CB-CB 4.19Å; D185-I188 HydrophobicContact CB-CG1 3.8Å; D185-I188 WeakPolarHBondContact O-CA 3.48Å; D185-I188 WeakPolarHBondContact O-CB 3.37Å; D185-I188 PolarHBondContact O-N 2.9Å; D185-M189 PolarHBondContact O-N 3.15Å; D185-K276 HydrophobicContact CB-CB 3.82Å; D185-K276 PolarHBondContact N-O 2.86Å | ||
| 186 | P | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.7 | -31.4 | -176.4 | -27.2 | 36.1 | 0 | 0 | 0 | 113.9 | L184 I188 M189 D190 | L184-P186 VanDerWaalsContact O-CD 3.28Å; L184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-I188 VanDerWaalsContact C-N 3.28Å; P186-I188 PolarHBondContact O-N 3.4Å; P186-M189 PolarHBondContact O-N 3.44Å; P186-D190 PolarHBondContact O-N 3.22Å |
| 187 | A | 98.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.7 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D185 | D185-A187 PolarHBondContact O-N 2.91Å; D185-A187 WeakPolarHBondContact OD1-CB 3.5Å; D185-A187 PolarHBondContact OD1-N 2.83Å |
| 188 | I | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.8 | -43.1 | 170.9 | -58 | -60.8 | 0 | 0 | 0 | 110.1 | D185 P186 D190 Q191 F192 V274 K276 | D185-I188 HydrophobicContact CB-CB 4.19Å; D185-I188 HydrophobicContact CB-CG1 3.8Å; D185-I188 WeakPolarHBondContact O-CA 3.48Å; D185-I188 WeakPolarHBondContact O-CB 3.37Å; D185-I188 PolarHBondContact O-N 2.9Å; P186-I188 VanDerWaalsContact C-N 3.28Å; P186-I188 PolarHBondContact O-N 3.4Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 2.93Å; I188-Q191 WeakPolarHBondContact O-CB 3.42Å; I188-Q191 WeakPolarHBondContact O-CG 3.2Å; I188-Q191 PolarHBondContact O-N 3.31Å; I188-F192 HydrophobicContact CG2-CE2 4.44Å; I188-V274 WeakPolarHBondContact CG2-O 3.01Å; I188-K276 HydrophobicContact CD1-CD 4.2Å; I188-K276 HydrophobicContact CG1-CB 4.36Å; I188-K276 HydrophobicContact CG1-CD 4Å; I188-K276 HydrophobicContact CG1-CG 4.18Å |
| 189 | M | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -30.6 | -179.6 | -65.8 | -59 | 91.9 | 0 | 0 | 113.8 | L184 D185 P186 Q191 F192 I244 P246 V253 F275 | L184-M189 HydrophobicContact CB-CE 3.91Å; L184-M189 HydrophobicContact CB-CG 3.72Å; L184-M189 HydrophobicContact CB-SD 3.69Å; L184-M189 HydrophobicContact CD1-SD 4.21Å; L184-M189 HydrophobicContact CD2-CE 3.62Å; L184-M189 HydrophobicContact CD2-SD 4.02Å; L184-M189 HydrophobicContact CG-CE 4.31Å; L184-M189 HydrophobicContact CG-SD 4.18Å; D185-M189 PolarHBondContact O-N 3.15Å; P186-M189 PolarHBondContact O-N 3.44Å; M189-Q191 PolarHBondContact O-N 3.45Å; M189-F192 HydrophobicContact CE-CD2 4.07Å; M189-F192 HydrophobicContact CE-CE2 3.93Å; M189-F192 PolarHBondContact O-N 2.96Å; M189-I244 HydrophobicContact SD-CG2 4.14Å; M189-P246 HydrophobicContact CB-CB 3.92Å; M189-P246 WeakPolarHBondContact CB-O 3.39Å; M189-P246 HydrophobicContact CG-CB 4.49Å; M189-P246 HydrophobicContact SD-CB 4.23Å; M189-V253 HydrophobicContact CE-CG2 4.22Å; M189-V253 HydrophobicContact SD-CG2 4.28Å; M189-F275 HydrophobicContact CE-CD1 4.33Å |
| 190 | D | 98.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 54.9 Ų | 54.9 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -57.1 | -20.8 | 174.7 | 179.2 | 64.9 | 0 | 0 | 0 | 113.8 | P186 I188 F192 K195 | P186-D190 PolarHBondContact O-N 3.22Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 2.93Å; D190-F192 PolarHBondContact O-N 3.22Å; D190-K195 VanDerWaalsContact CG-NZ 3.28Å; D190-K195 WeakPolarHBondContact O-CE 3.26Å; D190-K195 PolarHBondContact O-NZ 3.25Å; D190-K195 IonicContact OD1-NZ 2.63Å; D190-K195 PolarHBondContact OD1-NZ 3.3Å; D190-K195 IonicContact OD2-NZ 3.88Å; D190-K195 PolarHBondContact OD2-NZ 3.21Å |
| 191 | Q | 98.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -68.7 | -21.1 | 175 | -61.4 | -179.6 | 57.3 | 0 | 0 | 113.2 | I188 M189 V203 | I188-Q191 WeakPolarHBondContact O-CB 3.42Å; I188-Q191 WeakPolarHBondContact O-CG 3.2Å; I188-Q191 PolarHBondContact O-N 3.31Å; M189-Q191 PolarHBondContact O-N 3.45Å; Q191-V203 WeakPolarHBondContact O-CG1 3.24Å |
| 192 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -104.9 | 17.3 | -173.9 | -52 | -73.6 | 0 | 0 | 0 | 113 | I188 M189 D190 V203 I209 M222 G227 Y228 I244 P246 F275 | I188-F192 HydrophobicContact CG2-CE2 4.44Å; M189-F192 HydrophobicContact CE-CD2 4.07Å; M189-F192 HydrophobicContact CE-CE2 3.93Å; M189-F192 PolarHBondContact O-N 2.96Å; D190-F192 PolarHBondContact O-N 3.22Å; F192-V203 HydrophobicContact CD1-CG1 3.62Å; F192-V203 HydrophobicContact CE1-CG1 3.62Å; F192-I209 HydrophobicContact CE1-CD1 3.74Å; F192-I209 HydrophobicContact CZ-CD1 3.89Å; F192-M222 WeakPolarHBondContact O-CE 3.41Å; F192-G227 PolarHBondContact O-N 3.07Å; F192-Y228 HydrophobicContact CD1-CD1 4.3Å; F192-Y228 HydrophobicContact CD1-CD2 4.28Å; F192-Y228 AromaticContact CD1-CG 3.84Å; F192-Y228 HydrophobicContact CD1-CG 3.84Å; F192-Y228 HydrophobicContact CE1-CD1 4.32Å; F192-Y228 HydrophobicContact CE1-CG 4.24Å; F192-I244 HydrophobicContact CB-CG2 4.03Å; F192-I244 HydrophobicContact CD1-CD1 3.53Å; F192-I244 HydrophobicContact CD2-CD1 3.96Å; F192-I244 HydrophobicContact CD2-CG2 3.82Å; F192-I244 HydrophobicContact CE1-CD1 3.29Å; F192-I244 HydrophobicContact CE2-CD1 3.75Å; F192-I244 HydrophobicContact CE2-CG2 4.44Å; F192-I244 HydrophobicContact CG-CD1 3.86Å; F192-I244 HydrophobicContact CG-CG2 3.86Å; F192-I244 HydrophobicContact CZ-CD1 3.4Å; F192-I244 VanDerWaalsContact CZ-CD1 3.4Å; F192-P246 HydrophobicContact CB-CB 4.17Å; F192-P246 HydrophobicContact CB-CG 4.33Å; F192-F275 HydrophobicContact CE2-CE1 4.31Å; F192-F275 HydrophobicContact CZ-CE1 4.01Å |
| 193 | Y | 98.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 29% | 0.286 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -93 | 141.8 | 163 | -77.3 | -100.8 | 0 | 0 | 0 | 109.8 | K195 C226 P246 E247 | Y193-K195 PolarHBondContact O-N 3.49Å; Y193-C226 HydrophobicContact CD1-CB 3.34Å; Y193-C226 HydrophobicContact CD2-CB 4.12Å; Y193-C226 HydrophobicContact CE1-CB 3.43Å; Y193-C226 VanDerWaalsContact CE1-CB 3.43Å; Y193-C226 VanDerWaalsContact CE1-SG 3.59Å; Y193-C226 HydrophobicContact CE2-CB 4.23Å; Y193-C226 HydrophobicContact CG-CB 3.68Å; Y193-P246 HydrophobicContact CD2-CB 4.27Å; Y193-P246 HydrophobicContact CD2-CG 4.23Å; Y193-P246 HydrophobicContact CE2-CB 3.77Å; Y193-P246 HydrophobicContact CE2-CG 3.81Å; Y193-E247 WeakPolarHBondContact OH-CA 3.37Å |
| 194 | M | 96.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 50% | 0.498 | 34% | 0.338 | S | S | . | . | trans | -62.9 | 133.5 | 176.3 | -71.4 | -169.7 | 72.3 | 0 | 0 | 110.6 | M222 F223 N224 P225 | M194-M222 HydrophobicContact CG-CB 4.31Å; M194-M222 HydrophobicContact CG-CE 4.32Å; M194-F223 WeakPolarHBondContact CG-O 3.38Å; M194-N224 VanDerWaalsContact SD-CA 3.58Å; M194-N224 HydrophobicContact SD-CB 3.63Å; M194-P225 PolarHBondContact N-O 3.3Å | ||
| 195 | K | 96.1 | Very high | 97.5 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | trans | -133.7 | 139.3 | 179 | -67.7 | 173 | -177.1 | 173.2 | 0 | 108.9 | D190 Y193 G197 V198 | D190-K195 VanDerWaalsContact CG-NZ 3.28Å; D190-K195 WeakPolarHBondContact O-CE 3.26Å; D190-K195 PolarHBondContact O-NZ 3.25Å; D190-K195 IonicContact OD1-NZ 2.63Å; D190-K195 PolarHBondContact OD1-NZ 3.3Å; D190-K195 IonicContact OD2-NZ 3.88Å; D190-K195 PolarHBondContact OD2-NZ 3.21Å; Y193-K195 PolarHBondContact O-N 3.49Å; K195-G197 PolarHBondContact O-N 2.79Å; K195-V198 HydrophobicContact CB-CB 4.14Å; K195-V198 HydrophobicContact CB-CG2 3.78Å; K195-V198 PolarHBondContact O-N 2.91Å | ||
| 196 | D | 94.7 | Very high | 97.5 | Very high | 171 Ų | 171 | 67 Ų | 67 | 91% | 0.914 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.8 | -179 | -70.2 | -28.8 | 0 | 0 | 0 | 111.3 | V198 | D196-V198 PolarHBondContact O-N 3.01Š|
| 197 | G | 93.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 95% | 0.948 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 5.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K195 | K195-G197 PolarHBondContact O-N 2.79Š|
| 198 | V | 95.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | trans | -101.9 | 115.3 | 176.9 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | K195 D196 E202 V203 | K195-V198 HydrophobicContact CB-CB 4.14Å; K195-V198 HydrophobicContact CB-CG2 3.78Å; K195-V198 PolarHBondContact O-N 2.91Å; D196-V198 PolarHBondContact O-N 3.01Å; V198-E202 HydrophobicContact CG1-CB 4.23Å; V198-E202 HydrophobicContact CG1-CG 4.31Å; V198-V203 HydrophobicContact CG1-CG2 3.68Å | ||
| 199 | S | 97.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -85.4 | 159.7 | 177.6 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | S201 E202 V203 | S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 2.93Å; S199-E202 WeakPolarHBondContact O-CB 3.01Å; S199-E202 PolarHBondContact O-N 2.79Å; S199-E202 PolarHBondContact OG-N 2.79Å; S199-V203 PolarHBondContact O-N 2.7Å | ||
| 200 | A | 97.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.3 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E202 V203 T204 A220 M222 | A200-E202 VanDerWaalsContact C-N 3.32Å; A200-E202 PolarHBondContact O-N 2.85Å; A200-V203 WeakPolarHBondContact O-CB 3.19Å; A200-V203 PolarHBondContact O-N 2.81Å; A200-V203 VanDerWaalsContact O-N 3.16Å; A200-T204 PolarHBondContact O-N 3.09Å; A200-T204 PolarHBondContact O-OG1 3.1Å; A200-A220 HydrophobicContact CB-CB 4.18Å; A200-A220 WeakPolarHBondContact CB-O 3.2Å; A200-M222 HydrophobicContact CB-CG 3.86Å |
| 201 | S | 97.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 65 Ų | 65 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.6 | -37.8 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | S199 T204 R205 | S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 2.93Å; S201-T204 PolarHBondContact O-N 3.24Å; S201-R205 PolarHBondContact O-N 2.83Å; S201-R205 VanDerWaalsContact O-N 3.09Å |
| 202 | E | 97.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 175.3 | -170.6 | 64.6 | -156 | 0 | 0 | 111.1 | V198 S199 A200 R205 R206 | V198-E202 HydrophobicContact CG1-CB 4.23Å; V198-E202 HydrophobicContact CG1-CG 4.31Å; S199-E202 WeakPolarHBondContact O-CB 3.01Å; S199-E202 PolarHBondContact O-N 2.79Å; S199-E202 PolarHBondContact OG-N 2.79Å; A200-E202 VanDerWaalsContact C-N 3.32Å; A200-E202 PolarHBondContact O-N 2.85Å; E202-R205 PolarHBondContact O-N 3.2Å; E202-R205 IonicContact OE1-CZ 3.66Å; E202-R205 IonicContact OE1-NE 3.53Å; E202-R205 IonicContact OE1-NH2 3.98Å; E202-R205 PolarHBondContact OE1-NH2 2.98Å; E202-R205 IonicContact OE2-CZ 3.63Å; E202-R205 IonicContact OE2-NE 3.16Å; E202-R205 IonicContact OE2-NH1 2.71Å; E202-R205 PolarHBondContact OE2-NH1 2.84Å; E202-R205 IonicContact OE2-NH2 3.48Å; E202-R205 PolarHBondContact OE2-NH2 3Å; E202-R206 HydrophobicContact CG-CG 4.36Å; E202-R206 WeakPolarHBondContact O-CB 3.2Å; E202-R206 WeakPolarHBondContact O-CG 3.46Å; E202-R206 PolarHBondContact O-N 3.06Å; E202-R206 IonicContact OE1-CZ 3.76Å; E202-R206 IonicContact OE1-NE 3.09Å; E202-R206 PolarHBondContact OE1-NE 3.09Å; E202-R206 IonicContact OE1-NH2 2.81Å; E202-R206 PolarHBondContact OE1-NH2 2.88Å |
| 203 | V | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 174.9 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | Q191 F192 V198 S199 A200 R205 R206 S207 M222 Y228 | Q191-V203 WeakPolarHBondContact O-CG1 3.24Å; F192-V203 HydrophobicContact CD1-CG1 3.62Å; F192-V203 HydrophobicContact CE1-CG1 3.62Å; V198-V203 HydrophobicContact CG1-CG2 3.68Å; S199-V203 PolarHBondContact O-N 2.7Å; A200-V203 WeakPolarHBondContact O-CB 3.19Å; A200-V203 PolarHBondContact O-N 2.81Å; A200-V203 VanDerWaalsContact O-N 3.16Å; V203-R205 PolarHBondContact O-N 3.17Å; V203-R206 PolarHBondContact O-N 3.03Å; V203-S207 VanDerWaalsContact O-CB 3.26Å; V203-S207 WeakPolarHBondContact O-CB 3.21Å; V203-S207 PolarHBondContact O-N 3.25Å; V203-S207 PolarHBondContact O-OG 3.09Å; V203-M222 HydrophobicContact CB-SD 4.28Å; V203-M222 HydrophobicContact CG1-SD 4.2Å; V203-M222 HydrophobicContact CG2-CE 4.46Å; V203-M222 HydrophobicContact CG2-SD 3.98Å; V203-Y228 HydrophobicContact CG1-CD2 4.36Å; V203-Y228 HydrophobicContact CG1-CE2 4.44Å |
| 204 | T | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55 | -39.1 | 176.2 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | A200 S201 S207 I209 R210 I218 Y228 | A200-T204 PolarHBondContact O-N 3.09Å; A200-T204 PolarHBondContact O-OG1 3.1Å; S201-T204 PolarHBondContact O-N 3.24Å; T204-S207 PolarHBondContact O-OG 2.8Å; T204-I209 HydrophobicContact CG2-CB 4.16Å; T204-I209 HydrophobicContact CG2-CG2 3.87Å; T204-I209 PolarHBondContact O-N 2.82Å; T204-R210 HydrophobicContact CG2-CB 4Å; T204-R210 PolarHBondContact O-N 3.04Å; T204-I218 HydrophobicContact CG2-CD1 4.05Å; T204-I218 HydrophobicContact CG2-CG2 4.08Å; T204-Y228 WeakPolarHBondContact CB-OH 3.37Å; T204-Y228 WeakPolarHBondContact CG2-OH 3.24Å; T204-Y228 PolarHBondContact OG1-OH 2.8Å |
| 205 | R | 98.4 | Very high | 97.5 | Very high | 117 Ų | 117 | 62.1 Ų | 62.1 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.5 | -50.6 | 178.7 | -175.5 | 175.8 | 74.7 | -146.5 | 5.7 | 112.4 | S201 E202 V203 G208 | S201-R205 PolarHBondContact O-N 2.83Å; S201-R205 VanDerWaalsContact O-N 3.09Å; E202-R205 PolarHBondContact O-N 3.2Å; E202-R205 IonicContact OE1-CZ 3.66Å; E202-R205 IonicContact OE1-NE 3.53Å; E202-R205 IonicContact OE1-NH2 3.98Å; E202-R205 PolarHBondContact OE1-NH2 2.98Å; E202-R205 IonicContact OE2-CZ 3.63Å; E202-R205 IonicContact OE2-NE 3.16Å; E202-R205 IonicContact OE2-NH1 2.71Å; E202-R205 PolarHBondContact OE2-NH1 2.84Å; E202-R205 IonicContact OE2-NH2 3.48Å; E202-R205 PolarHBondContact OE2-NH2 3Å; V203-R205 PolarHBondContact O-N 3.17Å; R205-G208 PolarHBondContact O-N 2.6Å |
| 206 | R | 97.6 | Very high | 97.6 | Very high | 176 Ų | 176 | 59.1 Ų | 59.1 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.8 | -34.8 | -173.5 | -72.5 | -172.1 | -175.7 | 179.3 | 10.1 | 113.1 | E202 V203 G208 | E202-R206 HydrophobicContact CG-CG 4.36Å; E202-R206 WeakPolarHBondContact O-CB 3.2Å; E202-R206 WeakPolarHBondContact O-CG 3.46Å; E202-R206 PolarHBondContact O-N 3.06Å; E202-R206 IonicContact OE1-CZ 3.76Å; E202-R206 IonicContact OE1-NE 3.09Å; E202-R206 PolarHBondContact OE1-NE 3.09Å; E202-R206 IonicContact OE1-NH2 2.81Å; E202-R206 PolarHBondContact OE1-NH2 2.88Å; V203-R206 PolarHBondContact O-N 3.03Å; R206-G208 PolarHBondContact O-N 3.37Å |
| 207 | S | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.8 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | V203 T204 I209 V274 | V203-S207 VanDerWaalsContact O-CB 3.26Å; V203-S207 WeakPolarHBondContact O-CB 3.21Å; V203-S207 PolarHBondContact O-N 3.25Å; V203-S207 PolarHBondContact O-OG 3.09Å; T204-S207 PolarHBondContact O-OG 2.8Å; S207-I209 VanDerWaalsContact C-N 3.31Å; S207-I209 WeakPolarHBondContact OG-CD1 3.16Å; S207-I209 VanDerWaalsContact OG-CG1 3.31Å; S207-I209 WeakPolarHBondContact OG-CG1 3.45Å; S207-I209 PolarHBondContact OG-N 3.24Å; S207-V274 WeakPolarHBondContact O-CG1 3.35Å |
| 208 | G | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 85.5 | -2.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R205 R206 R210 D211 | R205-G208 PolarHBondContact O-N 2.6Å; R206-G208 PolarHBondContact O-N 3.37Å; G208-R210 VanDerWaalsContact C-N 3.28Å; G208-R210 PolarHBondContact O-N 3.04Å; G208-D211 PolarHBondContact O-N 3.36Å; G208-D211 VanDerWaalsContact O-N 3.12Å |
| 209 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -54 | -45.4 | 178.4 | -72.5 | 173 | 0 | 0 | 0 | 111.3 | F192 T204 S207 D211 L212 Y228 M230 W240 I242 I244 V274 F275 | F192-I209 HydrophobicContact CE1-CD1 3.74Å; F192-I209 HydrophobicContact CZ-CD1 3.89Å; T204-I209 HydrophobicContact CG2-CB 4.16Å; T204-I209 HydrophobicContact CG2-CG2 3.87Å; T204-I209 PolarHBondContact O-N 2.82Å; S207-I209 VanDerWaalsContact C-N 3.31Å; S207-I209 WeakPolarHBondContact OG-CD1 3.16Å; S207-I209 VanDerWaalsContact OG-CG1 3.31Å; S207-I209 WeakPolarHBondContact OG-CG1 3.45Å; S207-I209 PolarHBondContact OG-N 3.24Å; I209-D211 PolarHBondContact O-N 3.14Å; I209-L212 WeakPolarHBondContact O-CB 3.24Å; I209-L212 WeakPolarHBondContact O-CG 3.35Å; I209-L212 PolarHBondContact O-N 2.97Å; I209-L212 VanDerWaalsContact O-N 3.08Å; I209-Y228 HydrophobicContact CD1-CD1 4.42Å; I209-Y228 HydrophobicContact CD1-CE1 3.81Å; I209-M230 HydrophobicContact CG2-CE 4.41Å; I209-M230 HydrophobicContact CG2-CG 4.31Å; I209-M230 HydrophobicContact CG2-SD 4.41Å; I209-W240 HydrophobicContact CG2-CH2 4.13Å; I209-W240 HydrophobicContact CG2-CZ3 3.97Å; I209-W240 VanDerWaalsContact O-CH2 3.27Å; I209-W240 WeakPolarHBondContact O-CH2 3.49Å; I209-I242 HydrophobicContact CG1-CD1 4.34Å; I209-I242 HydrophobicContact CG2-CD1 3.78Å; I209-I244 HydrophobicContact CD1-CD1 4.15Å; I209-V274 HydrophobicContact CG1-CG1 4.34Å; I209-F275 HydrophobicContact CD1-CE1 4.1Å; I209-F275 HydrophobicContact CD1-CZ 3.83Å; I209-F275 HydrophobicContact CG1-CE1 4.33Å; I209-F275 HydrophobicContact CG1-CZ 3.79Å |
| 210 | R | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -51.2 | -34.3 | -178.6 | -173.6 | -166.2 | 66 | -170.7 | -10.3 | 113 | T204 G208 I218 | T204-R210 HydrophobicContact CG2-CB 4Å; T204-R210 PolarHBondContact O-N 3.04Å; G208-R210 VanDerWaalsContact C-N 3.28Å; G208-R210 PolarHBondContact O-N 3.04Å; R210-I218 HydrophobicContact CB-CD1 4.39Å; R210-I218 HydrophobicContact CG-CD1 4.16Å |
| 211 | D | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -97.4 | 1.8 | -170.2 | -58.3 | -29.9 | 0 | 0 | 0 | 112.6 | G208 I209 | G208-D211 PolarHBondContact O-N 3.36Å; G208-D211 VanDerWaalsContact O-N 3.12Å; I209-D211 PolarHBondContact O-N 3.14Å |
| 212 | L | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -48.4 | 174.1 | -70.9 | 175 | 0 | 0 | 0 | 111.7 | I209 W240 I242 F255 K270 V271 V274 F275 | I209-L212 WeakPolarHBondContact O-CB 3.24Å; I209-L212 WeakPolarHBondContact O-CG 3.35Å; I209-L212 PolarHBondContact O-N 2.97Å; I209-L212 VanDerWaalsContact O-N 3.08Å; L212-W240 HydrophobicContact CB-CH2 4.4Å; L212-W240 HydrophobicContact CB-CZ3 4.22Å; L212-W240 HydrophobicContact CD1-CZ3 4.3Å; L212-I242 HydrophobicContact CD1-CD1 3.85Å; L212-F255 HydrophobicContact CD1-CD2 4.44Å; L212-F255 HydrophobicContact CD1-CE2 4.35Å; L212-K270 HydrophobicContact CD2-CB 3.96Å; L212-V271 HydrophobicContact CD1-CG2 4.36Å; L212-V271 HydrophobicContact CD2-CG2 4.09Å; L212-V274 HydrophobicContact CD2-CG2 3.89Å; L212-F275 HydrophobicContact CD1-CE2 4.4Å |
| 213 | I | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -127.4 | 90.6 | 174.5 | -57.8 | -178.9 | 0 | 0 | 0 | 108.6 | S216 K234 W240 F255 T257 L259 L267 | I213-S216 PolarHBondContact O-OG 3.16Å; I213-K234 HydrophobicContact CG2-CD 3.95Å; I213-W240 HydrophobicContact CB-CD2 4.25Å; I213-W240 HydrophobicContact CB-CZ2 4.01Å; I213-W240 HydrophobicContact CD1-CB 3.85Å; I213-W240 HydrophobicContact CD1-CD2 3.92Å; I213-W240 HydrophobicContact CD1-CE3 4.49Å; I213-W240 HydrophobicContact CD1-CG 3.63Å; I213-W240 HydrophobicContact CG1-CD2 4.3Å; I213-W240 HydrophobicContact CG1-CG 4.47Å; I213-F255 HydrophobicContact CD1-CE2 4.46Å; I213-F255 HydrophobicContact CD1-CZ 4.02Å; I213-T257 HydrophobicContact CD1-CG2 4.36Å; I213-L259 HydrophobicContact CD1-CB 4.21Å; I213-L259 HydrophobicContact CD1-CD2 3.87Å; I213-L259 HydrophobicContact CG1-CD2 4.01Å; I213-L259 HydrophobicContact CG2-CD1 4.47Å; I213-L259 HydrophobicContact CG2-CD2 4.17Å; I213-L267 HydrophobicContact CG1-CD1 4.3Å |
| 214 | P | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 149.8 | -177.7 | -25 | 34.9 | 0 | 0 | 0 | 113.7 | K234 | P214-K234 PolarHBondContact O-NZ 3.36Š|
| 215 | G | 97.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 76% | 0.763 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 19.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 216 | S | 98.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | trans | -89.7 | 145.9 | 173.3 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | I213 M233 K234 W240 | I213-S216 PolarHBondContact O-OG 3.16Å; S216-M233 CarbonylContact C-O 3.52Å; S216-M233 WeakPolarHBondContact CA-O 3.17Å; S216-M233 WeakPolarHBondContact CB-O 3.44Å; S216-K234 VanDerWaalsContact OG-CG 3.29Å; S216-K234 WeakPolarHBondContact OG-CG 3.32Å; S216-W240 PolarHBondContact OG-NE1 2.98Å | ||
| 217 | V | 98.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.1 | 159 | -178.6 | 0 | 0 | 0 | 0 | 106.7 | T55 G232 M233 | T55-V217 HydrophobicContact CG2-CG1 3.85Å; V217-G232 CarbonylContact O-C 3.55Å; V217-G232 WeakPolarHBondContact O-CA 3.25Å; V217-M233 PolarHBondContact N-O 2.81Å; V217-M233 PolarHBondContact O-N 2.9Å |
| 218 | I | 98.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.1 | -177 | -66.7 | 174.1 | 0 | 0 | 0 | 109.3 | T204 R210 A220 M230 N231 W240 | T204-I218 HydrophobicContact CG2-CD1 4.05Å; T204-I218 HydrophobicContact CG2-CG2 4.08Å; R210-I218 HydrophobicContact CB-CD1 4.39Å; R210-I218 HydrophobicContact CG-CD1 4.16Å; I218-A220 HydrophobicContact CG2-CB 4.2Å; I218-M230 HydrophobicContact CB-CE 4.14Å; I218-M230 HydrophobicContact CD1-CE 3.96Å; I218-M230 HydrophobicContact CG1-CE 3.72Å; I218-M230 HydrophobicContact CG2-CB 4.41Å; I218-M230 HydrophobicContact CG2-CE 3.5Å; I218-N231 WeakPolarHBondContact CA-O 3.33Å; I218-W240 HydrophobicContact CD1-CH2 3.92Å; I218-W240 HydrophobicContact CD1-CZ2 3.78Å; I218-W240 HydrophobicContact CG1-CZ2 4.04Å |
| 219 | D | 98.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133 | 164.5 | -166.8 | -0.4 | 0 | 0 | 0 | 107.6 | S53 T55 I64 M230 N231 | S53-D219 VanDerWaalsContact CB-OD2 3.3Å; S53-D219 WeakPolarHBondContact CB-OD2 3.2Å; S53-D219 PolarHBondContact OG-OD1 2.85Å; S53-D219 PolarHBondContact OG-OD2 2.87Å; T55-D219 WeakPolarHBondContact OG1-CB 3.26Å; T55-D219 PolarHBondContact OG1-OD2 2.71Å; T55-D219 VanDerWaalsContact OG1-OD2 3.11Å; I64-D219 HydrophobicContact CD1-CB 4.01Å; I64-D219 WeakPolarHBondContact CD1-O 3.43Å; D219-M230 CarbonylContact O-C 3.57Å; D219-M230 WeakPolarHBondContact O-CA 3.39Å; D219-M230 VanDerWaalsContact O-CB 3.25Å; D219-M230 WeakPolarHBondContact O-CB 3.33Å; D219-N231 PolarHBondContact N-O 2.86Å; D219-N231 PolarHBondContact O-N 2.89Å |
| 220 | A | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A200 I218 Y228 S229 M230 | A200-A220 HydrophobicContact CB-CB 4.18Å; A200-A220 WeakPolarHBondContact CB-O 3.2Å; I218-A220 HydrophobicContact CG2-CB 4.2Å; A220-Y228 HydrophobicContact CB-CE2 3.88Å; A220-S229 WeakPolarHBondContact CA-O 3.38Å; A220-M230 HydrophobicContact CB-CB 3.77Å |
| 221 | T | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.2 | -178.7 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | I52 F223 Y228 S229 | I52-T221 HydrophobicContact CD1-CG2 4.27Å; I52-T221 HydrophobicContact CG2-CG2 4.19Å; T221-F223 HydrophobicContact CG2-CD2 4.45Å; T221-F223 HydrophobicContact CG2-CE1 4.45Å; T221-F223 HydrophobicContact CG2-CE2 4.11Å; T221-F223 HydrophobicContact CG2-CZ 4.12Å; T221-Y228 WeakPolarHBondContact O-CA 3.22Å; T221-S229 PolarHBondContact N-O 2.93Å; T221-S229 PolarHBondContact O-N 3.43Å |
| 222 | M | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.6 | 166 | -70.1 | -73.8 | -61 | 0 | 0 | 109 | F192 M194 A200 V203 G227 Y228 | F192-M222 WeakPolarHBondContact O-CE 3.41Å; M194-M222 HydrophobicContact CG-CB 4.31Å; M194-M222 HydrophobicContact CG-CE 4.32Å; A200-M222 HydrophobicContact CB-CG 3.86Å; V203-M222 HydrophobicContact CB-SD 4.28Å; V203-M222 HydrophobicContact CG1-SD 4.2Å; V203-M222 HydrophobicContact CG2-CE 4.46Å; V203-M222 HydrophobicContact CG2-SD 3.98Å; M222-G227 WeakPolarHBondContact CA-O 3.5Å; M222-Y228 HydrophobicContact CG-CD2 4.35Å; M222-Y228 HydrophobicContact SD-CD2 3.62Å; M222-Y228 HydrophobicContact SD-CG 4.32Å |
| 223 | F | 96.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 35 Ų | 35 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 151.2 | 179.5 | -64.2 | -95.1 | 0 | 0 | 0 | 110.7 | I52 S66 M194 T221 P225 C226 G227 S229 | I52-F223 HydrophobicContact CD1-CD1 4.48Å; I52-F223 HydrophobicContact CD1-CE1 3.43Å; I52-F223 VanDerWaalsContact CD1-CE1 3.43Å; I52-F223 HydrophobicContact CD1-CZ 3.74Å; S66-F223 WeakPolarHBondContact O-CE1 3.42Å; M194-F223 WeakPolarHBondContact CG-O 3.38Å; T221-F223 HydrophobicContact CG2-CD2 4.45Å; T221-F223 HydrophobicContact CG2-CE1 4.45Å; T221-F223 HydrophobicContact CG2-CE2 4.11Å; T221-F223 HydrophobicContact CG2-CZ 4.12Å; F223-P225 CarbonylContact O-C 3.52Å; F223-P225 VanDerWaalsContact O-C 3.29Å; F223-C226 WeakPolarHBondContact CB-O 3.44Å; F223-C226 CarbonylContact O-C 3.49Å; F223-C226 VanDerWaalsContact O-C 3.27Å; F223-C226 VanDerWaalsContact O-CA 3.28Å; F223-C226 WeakPolarHBondContact O-CA 3.33Å; F223-C226 PolarHBondContact O-N 2.98Å; F223-G227 PolarHBondContact N-O 2.67Å; F223-S229 WeakPolarHBondContact CE2-OG 3.45Å |
| 224 | N | 93.4 | Very high | 97.9 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 73% | 0.733 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -97.7 | 130.5 | -177.9 | 179.6 | 70 | 0 | 0 | 0 | 111.2 | M194 | M194-N224 VanDerWaalsContact SD-CA 3.58Å; M194-N224 HydrophobicContact SD-CB 3.63Å |
| 225 | P | 96.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | S | Bend | cis | -81.7 | -15.2 | -1.9 | 33.5 | -35.7 | 0 | 0 | 0 | 113.9 | M194 F223 | M194-P225 PolarHBondContact N-O 3.3Å; F223-P225 CarbonylContact O-C 3.52Å; F223-P225 VanDerWaalsContact O-C 3.29Å |
| 226 | C | 97.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -149 | 166.9 | -180 | 60.2 | 0 | 0 | 0 | 0 | 112 | Y193 F223 P246 | Y193-C226 HydrophobicContact CD1-CB 3.34Å; Y193-C226 HydrophobicContact CD2-CB 4.12Å; Y193-C226 HydrophobicContact CE1-CB 3.43Å; Y193-C226 VanDerWaalsContact CE1-CB 3.43Å; Y193-C226 VanDerWaalsContact CE1-SG 3.59Å; Y193-C226 HydrophobicContact CE2-CB 4.23Å; Y193-C226 HydrophobicContact CG-CB 3.68Å; F223-C226 WeakPolarHBondContact CB-O 3.44Å; F223-C226 CarbonylContact O-C 3.49Å; F223-C226 VanDerWaalsContact O-C 3.27Å; F223-C226 VanDerWaalsContact O-CA 3.28Å; F223-C226 WeakPolarHBondContact O-CA 3.33Å; F223-C226 PolarHBondContact O-N 2.98Å; C226-P246 HydrophobicContact CB-CG 3.7Å |
| 227 | G | 97.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | trans | 116.1 | 149.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F192 M222 F223 I244 | F192-G227 PolarHBondContact O-N 3.07Å; M222-G227 WeakPolarHBondContact CA-O 3.5Å; F223-G227 PolarHBondContact N-O 2.67Å; G227-I244 WeakPolarHBondContact CA-O 3.11Å | ||
| 228 | Y | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 136.9 | -179.9 | 171.8 | -84.1 | 0 | 0 | 0 | 110.4 | F192 V203 T204 I209 A220 T221 M222 M230 I244 | F192-Y228 HydrophobicContact CD1-CD1 4.3Å; F192-Y228 HydrophobicContact CD1-CD2 4.28Å; F192-Y228 AromaticContact CD1-CG 3.84Å; F192-Y228 HydrophobicContact CD1-CG 3.84Å; F192-Y228 HydrophobicContact CE1-CD1 4.32Å; F192-Y228 HydrophobicContact CE1-CG 4.24Å; V203-Y228 HydrophobicContact CG1-CD2 4.36Å; V203-Y228 HydrophobicContact CG1-CE2 4.44Å; T204-Y228 WeakPolarHBondContact CB-OH 3.37Å; T204-Y228 WeakPolarHBondContact CG2-OH 3.24Å; T204-Y228 PolarHBondContact OG1-OH 2.8Å; I209-Y228 HydrophobicContact CD1-CD1 4.42Å; I209-Y228 HydrophobicContact CD1-CE1 3.81Å; A220-Y228 HydrophobicContact CB-CE2 3.88Å; T221-Y228 WeakPolarHBondContact O-CA 3.22Å; M222-Y228 HydrophobicContact CG-CD2 4.35Å; M222-Y228 HydrophobicContact SD-CD2 3.62Å; M222-Y228 HydrophobicContact SD-CG 4.32Å; Y228-M230 HydrophobicContact CE1-CB 3.72Å; Y228-M230 HydrophobicContact CE1-CG 3.48Å; Y228-M230 VanDerWaalsContact CE1-CG 3.48Å; Y228-M230 WeakPolarHBondContact OH-CB 3.34Å; Y228-M230 WeakPolarHBondContact OH-CG 3.2Å; Y228-I244 HydrophobicContact CD1-CD1 3.65Å; Y228-I244 HydrophobicContact CD1-CG1 4.12Å; Y228-I244 HydrophobicContact CE1-CD1 4.41Å; Y228-I244 HydrophobicContact CG-CD1 4.27Å; Y228-I244 PolarHBondContact N-O 3.44Å; Y228-I244 PolarHBondContact O-N 2.69Å |
| 229 | S | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.1 | 171.3 | -67 | 0 | 0 | 0 | 0 | 109.8 | A220 T221 F223 I242 H243 | A220-S229 WeakPolarHBondContact CA-O 3.38Å; T221-S229 PolarHBondContact N-O 2.93Å; T221-S229 PolarHBondContact O-N 3.43Å; F223-S229 WeakPolarHBondContact CE2-OG 3.45Å; S229-I242 CarbonylContact C-O 3.44Å; S229-I242 VanDerWaalsContact CA-O 3.31Å; S229-I242 WeakPolarHBondContact CA-O 3.4Å; S229-H243 WeakPolarHBondContact CB-ND1 3.08Å; S229-H243 PolarHBondContact OG-ND1 3.44Å |
| 230 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.6 | 171.3 | 65.6 | 81.9 | 57.4 | 0 | 0 | 112.5 | I209 I218 D219 A220 Y228 W240 T241 I242 | I209-M230 HydrophobicContact CG2-CE 4.41Å; I209-M230 HydrophobicContact CG2-CG 4.31Å; I209-M230 HydrophobicContact CG2-SD 4.41Å; I218-M230 HydrophobicContact CB-CE 4.14Å; I218-M230 HydrophobicContact CD1-CE 3.96Å; I218-M230 HydrophobicContact CG1-CE 3.72Å; I218-M230 HydrophobicContact CG2-CB 4.41Å; I218-M230 HydrophobicContact CG2-CE 3.5Å; D219-M230 CarbonylContact O-C 3.57Å; D219-M230 WeakPolarHBondContact O-CA 3.39Å; D219-M230 VanDerWaalsContact O-CB 3.25Å; D219-M230 WeakPolarHBondContact O-CB 3.33Å; A220-M230 HydrophobicContact CB-CB 3.77Å; Y228-M230 HydrophobicContact CE1-CB 3.72Å; Y228-M230 HydrophobicContact CE1-CG 3.48Å; Y228-M230 VanDerWaalsContact CE1-CG 3.48Å; Y228-M230 WeakPolarHBondContact OH-CB 3.34Å; Y228-M230 WeakPolarHBondContact OH-CG 3.2Å; M230-W240 HydrophobicContact CE-CD2 4.22Å; M230-W240 HydrophobicContact CE-CE3 3.94Å; M230-W240 HydrophobicContact CE-CH2 3.52Å; M230-W240 HydrophobicContact CE-CZ2 3.83Å; M230-W240 HydrophobicContact CE-CZ3 3.59Å; M230-W240 HydrophobicContact SD-CD2 4.36Å; M230-W240 HydrophobicContact SD-CE3 3.73Å; M230-W240 HydrophobicContact SD-CH2 4.25Å; M230-W240 HydrophobicContact SD-CZ3 3.68Å; M230-T241 VanDerWaalsContact O-CA 3.29Å; M230-T241 WeakPolarHBondContact O-CA 3.32Å; M230-T241 PolarHBondContact O-OG1 2.86Å; M230-I242 HydrophobicContact CG-CB 3.92Å; M230-I242 PolarHBondContact N-O 2.78Å; M230-I242 PolarHBondContact O-N 2.89Å; M230-I242 VanDerWaalsContact O-N 3.08Å; M230-I242 HydrophobicContact SD-CB 4.02Å; M230-I242 HydrophobicContact SD-CD1 4.05Å; M230-I242 HydrophobicContact SD-CG1 4.04Å |
| 231 | N | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.7 | 167.9 | -73.5 | -38.8 | 0 | 0 | 0 | 109.4 | A62 Y63 I64 S69 F71 I218 D219 T241 | A62-N231 HydrophobicContact CB-CB 3.92Å; Y63-N231 PolarHBondContact O-ND2 3.32Å; I64-N231 PolarHBondContact N-ND2 2.99Å; S69-N231 WeakPolarHBondContact CB-OD1 3.37Å; S69-N231 VanDerWaalsContact OG-CG 3.25Å; S69-N231 PolarHBondContact OG-ND2 3.36Å; S69-N231 VanDerWaalsContact OG-ND2 3.08Å; S69-N231 PolarHBondContact OG-OD1 2.59Å; F71-N231 HydrophobicContact CE1-CB 4.28Å; F71-N231 HydrophobicContact CZ-CB 4.14Å; F71-N231 WeakPolarHBondContact CZ-OD1 3.47Å; I218-N231 WeakPolarHBondContact CA-O 3.33Å; D219-N231 PolarHBondContact N-O 2.86Å; D219-N231 PolarHBondContact O-N 2.89Å; N231-T241 WeakPolarHBondContact OD1-CB 3.28Å; N231-T241 PolarHBondContact OD1-OG1 2.74Å |
| 232 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V217 Y239 W240 | V217-G232 CarbonylContact O-C 3.55Å; V217-G232 WeakPolarHBondContact O-CA 3.25Å; G232-Y239 CarbonylContact O-C 3.57Å; G232-Y239 VanDerWaalsContact O-CA 3.27Å; G232-Y239 WeakPolarHBondContact O-CA 3.14Å; G232-W240 PolarHBondContact N-O 2.76Å; G232-W240 VanDerWaalsContact O-CD1 3.26Å; G232-W240 PolarHBondContact O-N 2.77Å |
| 233 | M | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.1 | 177.8 | -63.4 | -170.9 | -74.4 | 0 | 0 | 112.5 | T55 T57 Q60 A62 S216 V217 T238 | T55-M233 HydrophobicContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact CG2-CE 3.49Å; T55-M233 VanDerWaalsContact O-CE 3.22Å; T55-M233 WeakPolarHBondContact O-CE 3.32Å; T57-M233 HydrophobicContact CG2-CB 4.04Å; T57-M233 HydrophobicContact CG2-CE 3.84Å; T57-M233 HydrophobicContact CG2-SD 4.04Å; Q60-M233 HydrophobicContact CG-SD 3.59Å; Q60-M233 VanDerWaalsContact CG-SD 3.59Å; A62-M233 HydrophobicContact CB-CE 3.75Å; A62-M233 HydrophobicContact CB-CG 4.15Å; A62-M233 HydrophobicContact CB-SD 3.58Å; A62-M233 VanDerWaalsContact CB-SD 3.58Å; S216-M233 CarbonylContact C-O 3.52Å; S216-M233 WeakPolarHBondContact CA-O 3.17Å; S216-M233 WeakPolarHBondContact CB-O 3.44Å; V217-M233 PolarHBondContact N-O 2.81Å; V217-M233 PolarHBondContact O-N 2.9Å; M233-T238 CarbonylContact C-O 3.6Å; M233-T238 WeakPolarHBondContact CA-O 3.47Å |
| 234 | K | 98.1 | Very high | 97.9 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | trans | -123.1 | 159 | 171.5 | -56.7 | -177.3 | 67.2 | 160.4 | 0 | 110.9 | I213 P214 S216 D236 G237 T238 | I213-K234 HydrophobicContact CG2-CD 3.95Å; P214-K234 PolarHBondContact O-NZ 3.36Å; S216-K234 VanDerWaalsContact OG-CG 3.29Å; S216-K234 WeakPolarHBondContact OG-CG 3.32Å; K234-D236 WeakPolarHBondContact CB-OD1 3.44Å; K234-D236 PolarHBondContact O-N 2.88Å; K234-G237 PolarHBondContact O-N 3.3Å; K234-G237 VanDerWaalsContact O-N 3.1Å; K234-T238 HydrophobicContact CD-CG2 4.27Å; K234-T238 PolarHBondContact N-O 2.84Å | ||
| 235 | T | 95.6 | Very high | 98.1 | Very high | 132 Ų | 132 | 21.4 Ų | 21.4 | 81% | 0.81 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.7 | 179.5 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | K59 G237 | K59-T235 WeakPolarHBondContact CE-O 3.46Å; T235-G237 VanDerWaalsContact C-N 3.26Å; T235-G237 PolarHBondContact O-N 2.85Å |
| 236 | D | 95.9 | Very high | 98.2 | Very high | 85 Ų | 85 | 17.3 Ų | 17.3 | 46% | 0.455 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7 | 177.9 | 64.2 | 9 | 0 | 0 | 0 | 113.9 | K59 K234 T238 | K59-D236 PolarHBondContact NZ-O 2.87Å; K234-D236 WeakPolarHBondContact CB-OD1 3.44Å; K234-D236 PolarHBondContact O-N 2.88Å; D236-T238 VanDerWaalsContact OD1-CB 3.25Å; D236-T238 WeakPolarHBondContact OD1-CB 3.45Å; D236-T238 PolarHBondContact OD1-N 2.85Å; D236-T238 PolarHBondContact OD1-OG1 3.08Å; D236-T238 PolarHBondContact OD2-OG1 2.86Å |
| 237 | G | 96.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 14% | 0.144 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 96.1 | 7.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q60 K234 T235 N258 | Q60-G237 PolarHBondContact OE1-O 2.85Å; K234-G237 PolarHBondContact O-N 3.3Å; K234-G237 VanDerWaalsContact O-N 3.1Å; T235-G237 VanDerWaalsContact C-N 3.26Å; T235-G237 PolarHBondContact O-N 2.85Å; G237-N258 PolarHBondContact O-ND2 2.85Å |
| 238 | T | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | trans | -64.8 | 132.9 | 166.4 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | Q60 M233 K234 D236 N258 L259 | Q60-T238 PolarHBondContact NE2-O 2.74Å; M233-T238 CarbonylContact C-O 3.6Å; M233-T238 WeakPolarHBondContact CA-O 3.47Å; K234-T238 HydrophobicContact CD-CG2 4.27Å; K234-T238 PolarHBondContact N-O 2.84Å; D236-T238 VanDerWaalsContact OD1-CB 3.25Å; D236-T238 WeakPolarHBondContact OD1-CB 3.45Å; D236-T238 PolarHBondContact OD1-N 2.85Å; D236-T238 PolarHBondContact OD1-OG1 3.08Å; D236-T238 PolarHBondContact OD2-OG1 2.86Å; T238-N258 VanDerWaalsContact CA-OD1 3.24Å; T238-N258 WeakPolarHBondContact CA-OD1 3.48Å; T238-L259 HydrophobicContact CG2-CB 3.73Å; T238-L259 HydrophobicContact CG2-CD1 3.85Å; T238-L259 HydrophobicContact CG2-CG 4.4Å | ||
| 239 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 159.7 | 162.4 | 80.6 | -85.5 | 0 | 0 | 0 | 110.6 | F71 R76 I78 G232 E256 T257 N258 | F71-Y239 HydrophobicContact CD1-CD2 4.23Å; F71-Y239 HydrophobicContact CD1-CG 4.21Å; F71-Y239 HydrophobicContact CD2-CD2 4.09Å; F71-Y239 HydrophobicContact CD2-CE2 4.33Å; F71-Y239 AromaticContact CE1-CD2 3.86Å; F71-Y239 HydrophobicContact CE1-CD2 3.86Å; F71-Y239 HydrophobicContact CE1-CG 4.06Å; F71-Y239 AromaticContact CE2-CD2 3.71Å; F71-Y239 HydrophobicContact CE2-CD2 3.71Å; F71-Y239 HydrophobicContact CE2-CE2 4.1Å; F71-Y239 HydrophobicContact CG-CD2 4.33Å; F71-Y239 AromaticContact CZ-CD2 3.57Å; F71-Y239 HydrophobicContact CZ-CD2 3.57Å; F71-Y239 HydrophobicContact CZ-CE2 4.4Å; F71-Y239 HydrophobicContact CZ-CG 4.25Å; R76-Y239 VanDerWaalsContact NH2-CD1 3.31Å; I78-Y239 HydrophobicContact CD1-CD1 4.23Å; I78-Y239 HydrophobicContact CD1-CE1 3.53Å; I78-Y239 HydrophobicContact CD1-CE2 4.1Å; I78-Y239 VanDerWaalsContact CD1-CZ 3.46Å; I78-Y239 WeakPolarHBondContact CD1-OH 3.48Å; G232-Y239 CarbonylContact O-C 3.57Å; G232-Y239 VanDerWaalsContact O-CA 3.27Å; G232-Y239 WeakPolarHBondContact O-CA 3.14Å; Y239-E256 HydrophobicContact CE2-CG 4.14Å; Y239-E256 WeakPolarHBondContact CE2-OE1 3.15Å; Y239-E256 PolarHBondContact OH-OE1 3.02Å; Y239-T257 WeakPolarHBondContact O-CA 3.49Å; Y239-T257 WeakPolarHBondContact O-CB 3.37Å; Y239-T257 PolarHBondContact O-OG1 2.79Å; Y239-N258 HydrophobicContact CD1-CB 4Å; Y239-N258 VanDerWaalsContact CD1-OD1 3.28Å; Y239-N258 WeakPolarHBondContact CD1-OD1 3.37Å; Y239-N258 HydrophobicContact CE1-CB 3.62Å; Y239-N258 PolarHBondContact N-OD1 2.93Å; Y239-N258 PolarHBondContact O-N 3.41Å; Y239-N258 PolarHBondContact O-OD1 3.2Å |
| 240 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.8 | 163.5 | 53.2 | -67.2 | 0 | 0 | 0 | 109.9 | I209 L212 I213 S216 I218 M230 G232 I242 F255 E256 | I209-W240 HydrophobicContact CG2-CH2 4.13Å; I209-W240 HydrophobicContact CG2-CZ3 3.97Å; I209-W240 VanDerWaalsContact O-CH2 3.27Å; I209-W240 WeakPolarHBondContact O-CH2 3.49Å; L212-W240 HydrophobicContact CB-CH2 4.4Å; L212-W240 HydrophobicContact CB-CZ3 4.22Å; L212-W240 HydrophobicContact CD1-CZ3 4.3Å; I213-W240 HydrophobicContact CB-CD2 4.25Å; I213-W240 HydrophobicContact CB-CZ2 4.01Å; I213-W240 HydrophobicContact CD1-CB 3.85Å; I213-W240 HydrophobicContact CD1-CD2 3.92Å; I213-W240 HydrophobicContact CD1-CE3 4.49Å; I213-W240 HydrophobicContact CD1-CG 3.63Å; I213-W240 HydrophobicContact CG1-CD2 4.3Å; I213-W240 HydrophobicContact CG1-CG 4.47Å; S216-W240 PolarHBondContact OG-NE1 2.98Å; I218-W240 HydrophobicContact CD1-CH2 3.92Å; I218-W240 HydrophobicContact CD1-CZ2 3.78Å; I218-W240 HydrophobicContact CG1-CZ2 4.04Å; M230-W240 HydrophobicContact CE-CD2 4.22Å; M230-W240 HydrophobicContact CE-CE3 3.94Å; M230-W240 HydrophobicContact CE-CH2 3.52Å; M230-W240 HydrophobicContact CE-CZ2 3.83Å; M230-W240 HydrophobicContact CE-CZ3 3.59Å; M230-W240 HydrophobicContact SD-CD2 4.36Å; M230-W240 HydrophobicContact SD-CE3 3.73Å; M230-W240 HydrophobicContact SD-CH2 4.25Å; M230-W240 HydrophobicContact SD-CZ3 3.68Å; G232-W240 PolarHBondContact N-O 2.76Å; G232-W240 VanDerWaalsContact O-CD1 3.26Å; G232-W240 PolarHBondContact O-N 2.77Å; W240-I242 HydrophobicContact CE3-CD1 4.07Å; W240-I242 HydrophobicContact CE3-CG1 4.42Å; W240-I242 HydrophobicContact CZ3-CD1 3.77Å; W240-F255 HydrophobicContact CE3-CD2 4.49Å; W240-F255 AromaticContact CE3-CE2 3.88Å; W240-F255 HydrophobicContact CE3-CE2 3.88Å; W240-E256 CarbonylContact C-O 3.58Å; W240-E256 WeakPolarHBondContact CA-O 3.27Å; W240-E256 VanDerWaalsContact CB-O 3.28Å; W240-E256 WeakPolarHBondContact CB-O 3.38Å |
| 241 | T | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.3 | 177.9 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | S69 F71 M230 N231 H243 F255 E256 | S69-T241 PolarHBondContact OG-OG1 2.83Å; S69-T241 VanDerWaalsContact OG-OG1 3.13Å; F71-T241 HydrophobicContact CE2-CG2 4.2Å; M230-T241 VanDerWaalsContact O-CA 3.29Å; M230-T241 WeakPolarHBondContact O-CA 3.32Å; M230-T241 PolarHBondContact O-OG1 2.86Å; N231-T241 WeakPolarHBondContact OD1-CB 3.28Å; N231-T241 PolarHBondContact OD1-OG1 2.74Å; T241-H243 PolarHBondContact OG1-CE1 2.81Å; T241-H243 PolarHBondContact OG1-NE2 3.28Å; T241-F255 WeakPolarHBondContact O-CA 3.48Å; T241-E256 HydrophobicContact CG2-CB 4.01Å; T241-E256 PolarHBondContact N-O 3.44Å; T241-E256 PolarHBondContact O-N 2.88Å |
| 242 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.1 | 175 | -64.6 | 168.9 | 0 | 0 | 0 | 109.1 | I209 L212 S229 M230 W240 I244 V253 S254 F255 F275 | I209-I242 HydrophobicContact CG1-CD1 4.34Å; I209-I242 HydrophobicContact CG2-CD1 3.78Å; L212-I242 HydrophobicContact CD1-CD1 3.85Å; S229-I242 CarbonylContact C-O 3.44Å; S229-I242 VanDerWaalsContact CA-O 3.31Å; S229-I242 WeakPolarHBondContact CA-O 3.4Å; M230-I242 HydrophobicContact CG-CB 3.92Å; M230-I242 PolarHBondContact N-O 2.78Å; M230-I242 PolarHBondContact O-N 2.89Å; M230-I242 VanDerWaalsContact O-N 3.08Å; M230-I242 HydrophobicContact SD-CB 4.02Å; M230-I242 HydrophobicContact SD-CD1 4.05Å; M230-I242 HydrophobicContact SD-CG1 4.04Å; W240-I242 HydrophobicContact CE3-CD1 4.07Å; W240-I242 HydrophobicContact CE3-CG1 4.42Å; W240-I242 HydrophobicContact CZ3-CD1 3.77Å; I242-I244 HydrophobicContact CG2-CD1 3.99Å; I242-I244 HydrophobicContact CG2-CG1 3.76Å; I242-V253 HydrophobicContact CG2-CG1 4.05Å; I242-S254 VanDerWaalsContact CA-O 3.24Å; I242-S254 WeakPolarHBondContact CA-O 3.28Å; I242-S254 WeakPolarHBondContact CG2-O 3.35Å; I242-F255 HydrophobicContact CD1-CD2 3.85Å; I242-F255 HydrophobicContact CD1-CE2 4.48Å; I242-F255 HydrophobicContact CG1-CB 4.29Å; I242-F255 HydrophobicContact CG1-CD2 3.67Å; I242-F255 HydrophobicContact CG1-CG 4.44Å; I242-F275 HydrophobicContact CD1-CE2 4.28Å; I242-F275 HydrophobicContact CD1-CZ 4.15Å; I242-F275 HydrophobicContact CG2-CZ 3.95Å |
| 243 | H | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134 | 173.9 | -56 | -73.9 | 0 | 0 | 0 | 110 | E13 S68 S69 S229 T241 V253 S254 | E13-H243 IonicContact OE1-CD2 2.64Å; E13-H243 PolarHBondContact OE1-CD2 2.9Å; E13-H243 IonicContact OE1-CG 2.91Å; E13-H243 IonicContact OE1-NE2 2.76Å; S68-H243 WeakPolarHBondContact CA-CE1 3.45Å; S68-H243 WeakPolarHBondContact CA-ND1 3.17Å; S68-H243 PolarHBondContact O-CE1 3.25Å; S68-H243 PolarHBondContact OG-CD2 2.96Å; S68-H243 PolarHBondContact OG-CE1 3.15Å; S68-H243 PolarHBondContact OG-NE2 3.07Å; S69-H243 PolarHBondContact OG-CE1 3.27Å; S69-H243 PolarHBondContact OG-NE2 2.94Å; S229-H243 WeakPolarHBondContact CB-ND1 3.08Å; S229-H243 PolarHBondContact OG-ND1 3.44Å; T241-H243 PolarHBondContact OG1-CE1 2.81Å; T241-H243 PolarHBondContact OG1-NE2 3.28Å; H243-V253 VanDerWaalsContact O-CA 3.29Å; H243-V253 WeakPolarHBondContact O-CA 3.21Å; H243-S254 WeakPolarHBondContact CB-OG 3.49Å; H243-S254 PolarHBondContact N-O 2.96Å; H243-S254 PolarHBondContact N-OG 3.44Å; H243-S254 PolarHBondContact O-N 3.39Å |
| 244 | I | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.5 | -170.7 | -54.3 | -178.3 | 0 | 0 | 0 | 109.6 | M189 F192 I209 G227 Y228 I242 P246 V253 F275 | M189-I244 HydrophobicContact SD-CG2 4.14Å; F192-I244 HydrophobicContact CB-CG2 4.03Å; F192-I244 HydrophobicContact CD1-CD1 3.53Å; F192-I244 HydrophobicContact CD2-CD1 3.96Å; F192-I244 HydrophobicContact CD2-CG2 3.82Å; F192-I244 HydrophobicContact CE1-CD1 3.29Å; F192-I244 HydrophobicContact CE2-CD1 3.75Å; F192-I244 HydrophobicContact CE2-CG2 4.44Å; F192-I244 HydrophobicContact CG-CD1 3.86Å; F192-I244 HydrophobicContact CG-CG2 3.86Å; F192-I244 HydrophobicContact CZ-CD1 3.4Å; F192-I244 VanDerWaalsContact CZ-CD1 3.4Å; I209-I244 HydrophobicContact CD1-CD1 4.15Å; G227-I244 WeakPolarHBondContact CA-O 3.11Å; Y228-I244 HydrophobicContact CD1-CD1 3.65Å; Y228-I244 HydrophobicContact CD1-CG1 4.12Å; Y228-I244 HydrophobicContact CE1-CD1 4.41Å; Y228-I244 HydrophobicContact CG-CD1 4.27Å; Y228-I244 PolarHBondContact N-O 3.44Å; Y228-I244 PolarHBondContact O-N 2.69Å; I242-I244 HydrophobicContact CG2-CD1 3.99Å; I242-I244 HydrophobicContact CG2-CG1 3.76Å; I244-P246 HydrophobicContact CG2-CB 4.28Å; I244-V253 HydrophobicContact CB-CG2 4.22Å; I244-V253 HydrophobicContact CG1-CG1 4.08Å; I244-V253 HydrophobicContact CG1-CG2 3.95Å; I244-V253 HydrophobicContact CG2-CG2 3.9Å; I244-F275 HydrophobicContact CD1-CE1 3.7Å; I244-F275 HydrophobicContact CD1-CZ 4.26Å |
| 245 | T | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 100.4 | 165.6 | -57.4 | 0 | 0 | 0 | 0 | 107.3 | F9 G11 E247 F250 S251 Y252 | F9-T245 HydrophobicContact CD1-CG2 3.81Å; G11-T245 WeakPolarHBondContact CA-OG1 3.25Å; T245-E247 VanDerWaalsContact CG2-OE2 3.24Å; T245-E247 WeakPolarHBondContact CG2-OE2 3.28Å; T245-F250 HydrophobicContact CG2-CD2 3.62Å; T245-F250 HydrophobicContact CG2-CE2 3.7Å; T245-S251 VanDerWaalsContact O-CA 3.29Å; T245-S251 WeakPolarHBondContact O-CA 3.32Å; T245-Y252 PolarHBondContact N-O 2.87Å; T245-Y252 PolarHBondContact O-N 2.9Å |
| 246 | P | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | trans | -86.7 | -9.3 | -167.2 | 33.7 | -36.9 | 0 | 0 | 0 | 115 | M189 F192 Y193 C226 I244 | M189-P246 HydrophobicContact CB-CB 3.92Å; M189-P246 WeakPolarHBondContact CB-O 3.39Å; M189-P246 HydrophobicContact CG-CB 4.49Å; M189-P246 HydrophobicContact SD-CB 4.23Å; F192-P246 HydrophobicContact CB-CB 4.17Å; F192-P246 HydrophobicContact CB-CG 4.33Å; Y193-P246 HydrophobicContact CD2-CB 4.27Å; Y193-P246 HydrophobicContact CD2-CG 4.23Å; Y193-P246 HydrophobicContact CE2-CB 3.77Å; Y193-P246 HydrophobicContact CE2-CG 3.81Å; C226-P246 HydrophobicContact CB-CG 3.7Å; I244-P246 HydrophobicContact CG2-CB 4.28Å | ||
| 247 | E | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 15.6 Ų | 15.6 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | trans | -59 | 130.8 | -176.6 | -64.2 | 95.1 | 134.4 | 0 | 0 | 111.9 | H7 Y193 T245 E249 F250 S251 | H7-E247 IonicContact CE1-OE1 2.8Å; H7-E247 PolarHBondContact CE1-OE1 3.46Å; Y193-E247 WeakPolarHBondContact OH-CA 3.37Å; T245-E247 VanDerWaalsContact CG2-OE2 3.24Å; T245-E247 WeakPolarHBondContact CG2-OE2 3.28Å; E247-E249 PolarHBondContact O-N 3.45Å; E247-F250 HydrophobicContact CB-CD2 4.13Å; E247-F250 HydrophobicContact CB-CE1 4.07Å; E247-F250 HydrophobicContact CB-CE2 3.53Å; E247-F250 HydrophobicContact CB-CZ 3.49Å; E247-F250 VanDerWaalsContact CB-CZ 3.49Å; E247-F250 VanDerWaalsContact CD-CE2 3.48Å; E247-F250 HydrophobicContact CG-CE2 3.83Å; E247-F250 HydrophobicContact CG-CZ 3.7Å; E247-F250 CarbonylContact O-C 3.55Å; E247-F250 PolarHBondContact O-N 3.1Å; E247-S251 WeakPolarHBondContact O-CA 3.39Å; E247-S251 WeakPolarHBondContact O-CB 3.49Å; E247-S251 PolarHBondContact O-N 3.49Å | ||
| 248 | P | 97.3 | Very high | 98.6 | Very high | 84 Ų | 84 | 15.7 Ų | 15.7 | 55% | 0.545 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28 | -170 | 23.4 | -32.1 | 0 | 0 | 0 | 113.5 | F250 | P248-F250 VanDerWaalsContact C-N 3.31Å; P248-F250 PolarHBondContact O-N 2.96Å |
| 249 | E | 97.4 | Very high | 98.6 | Very high | 149 Ų | 149 | 16.2 Ų | 16.2 | 70% | 0.696 | 9% | 0.086 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.9 | -178.2 | -62 | 79 | -172.2 | 0 | 0 | 113.5 | E247 | E247-E249 PolarHBondContact O-N 3.45Š|
| 250 | F | 97.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 18 Ų | 18 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -148 | 34 | -175.6 | 46.2 | -93.7 | 0 | 0 | 0 | 112.1 | H7 F8 F9 M118 T245 E247 P248 Y252 | H7-F250 AromaticContact ND1-CZ 3.69Å; H7-F250 VanDerWaalsContact O-CE1 3.25Å; H7-F250 WeakPolarHBondContact O-CE1 3.43Å; F8-F250 HydrophobicContact CB-CE1 4.46Å; F8-F250 HydrophobicContact CD2-CB 3.95Å; F8-F250 AromaticContact CD2-CD1 3.69Å; F8-F250 HydrophobicContact CD2-CD1 3.69Å; F8-F250 HydrophobicContact CD2-CE1 4.38Å; F8-F250 AromaticContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CD2-CG 3.8Å; F8-F250 HydrophobicContact CE2-CB 3.78Å; F8-F250 HydrophobicContact CE2-CD1 4.39Å; F8-F250 HydrophobicContact CE2-CG 4.08Å; F9-F250 HydrophobicContact CB-CD2 4.38Å; F9-F250 HydrophobicContact CB-CE2 3.78Å; F9-F250 HydrophobicContact CB-CZ 4.44Å; F9-F250 VanDerWaalsContact O-CD2 3.26Å; F9-F250 WeakPolarHBondContact O-CD2 3.47Å; M118-F250 HydrophobicContact SD-CB 3.78Å; T245-F250 HydrophobicContact CG2-CD2 3.62Å; T245-F250 HydrophobicContact CG2-CE2 3.7Å; E247-F250 HydrophobicContact CB-CD2 4.13Å; E247-F250 HydrophobicContact CB-CE1 4.07Å; E247-F250 HydrophobicContact CB-CE2 3.53Å; E247-F250 HydrophobicContact CB-CZ 3.49Å; E247-F250 VanDerWaalsContact CB-CZ 3.49Å; E247-F250 VanDerWaalsContact CD-CE2 3.48Å; E247-F250 HydrophobicContact CG-CE2 3.83Å; E247-F250 HydrophobicContact CG-CZ 3.7Å; E247-F250 CarbonylContact O-C 3.55Å; E247-F250 PolarHBondContact O-N 3.1Å; P248-F250 VanDerWaalsContact C-N 3.31Å; P248-F250 PolarHBondContact O-N 2.96Å; F250-Y252 PolarHBondContact O-N 3.38Å |
| 251 | S | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | trans | -56.4 | 129.5 | -175.4 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | L184 T245 E247 | L184-S251 VanDerWaalsContact CD1-C 3.47Å; L184-S251 PolarHBondContact N-OG 3.36Å; T245-S251 VanDerWaalsContact O-CA 3.29Å; T245-S251 WeakPolarHBondContact O-CA 3.32Å; E247-S251 WeakPolarHBondContact O-CA 3.39Å; E247-S251 WeakPolarHBondContact O-CB 3.49Å; E247-S251 PolarHBondContact O-N 3.49Å | ||
| 252 | Y | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.5 | -176.7 | -171.4 | -95.1 | 0 | 0 | 0 | 111 | G11 K115 M118 M181 T245 F250 | G11-Y252 WeakPolarHBondContact O-CD1 3.37Å; G11-Y252 WeakPolarHBondContact O-CE1 3.46Å; K115-Y252 HydrophobicContact CD-CE2 4.41Å; M118-Y252 HydrophobicContact CE-CD2 4.01Å; M181-Y252 WeakPolarHBondContact O-CA 3.32Å; M181-Y252 VanDerWaalsContact O-CD2 3.28Å; M181-Y252 WeakPolarHBondContact O-CD2 3.43Å; T245-Y252 PolarHBondContact N-O 2.87Å; T245-Y252 PolarHBondContact O-N 2.9Å; F250-Y252 PolarHBondContact O-N 3.38Å |
| 253 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.2 | 170.1 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | M181 L184 M189 I242 H243 I244 F275 | M181-V253 HydrophobicContact CB-CB 4.23Å; M181-V253 WeakPolarHBondContact CB-O 3.21Å; M181-V253 HydrophobicContact CE-CB 3.82Å; M181-V253 HydrophobicContact CE-CG1 3.45Å; M181-V253 VanDerWaalsContact CE-CG1 3.45Å; M181-V253 PolarHBondContact N-O 2.85Å; M181-V253 PolarHBondContact O-N 2.98Å; L184-V253 HydrophobicContact CD1-CB 4.47Å; L184-V253 HydrophobicContact CD1-CG2 3.96Å; L184-V253 HydrophobicContact CD2-CB 3.9Å; L184-V253 HydrophobicContact CD2-CG2 3.36Å; L184-V253 HydrophobicContact CG-CG2 4.31Å; M189-V253 HydrophobicContact CE-CG2 4.22Å; M189-V253 HydrophobicContact SD-CG2 4.28Å; I242-V253 HydrophobicContact CG2-CG1 4.05Å; H243-V253 VanDerWaalsContact O-CA 3.29Å; H243-V253 WeakPolarHBondContact O-CA 3.21Å; I244-V253 HydrophobicContact CB-CG2 4.22Å; I244-V253 HydrophobicContact CG1-CG1 4.08Å; I244-V253 HydrophobicContact CG1-CG2 3.95Å; I244-V253 HydrophobicContact CG2-CG2 3.9Å; V253-F275 HydrophobicContact CG1-CD1 4.1Å; V253-F275 HydrophobicContact CG1-CD2 4.17Å; V253-F275 HydrophobicContact CG1-CE1 4.04Å; V253-F275 HydrophobicContact CG1-CE2 4.11Å; V253-F275 HydrophobicContact CG1-CG 4.17Å; V253-F275 HydrophobicContact CG1-CZ 4.04Å; V253-F275 HydrophobicContact CG2-CD1 4.19Å |
| 254 | S | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.9 | 166.5 | 68.2 | 0 | 0 | 0 | 0 | 110.4 | E13 I242 H243 | E13-S254 PolarHBondContact OE1-OG 2.9Å; E13-S254 WeakPolarHBondContact OE2-CB 3.37Å; E13-S254 PolarHBondContact OE2-OG 3.37Å; I242-S254 VanDerWaalsContact CA-O 3.24Å; I242-S254 WeakPolarHBondContact CA-O 3.28Å; I242-S254 WeakPolarHBondContact CG2-O 3.35Å; H243-S254 WeakPolarHBondContact CB-OG 3.49Å; H243-S254 PolarHBondContact N-O 2.96Å; H243-S254 PolarHBondContact N-OG 3.44Å; H243-S254 PolarHBondContact O-N 3.39Å |
| 255 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.2 | 165.1 | 168.7 | -85.8 | 0 | 0 | 0 | 107.2 | L177 E178 V179 M181 L212 I213 W240 T241 I242 T257 L267 V271 | L177-F255 HydrophobicContact CD2-CE1 4.33Å; E178-F255 CarbonylContact C-O 3.46Å; E178-F255 VanDerWaalsContact CA-O 3.23Å; E178-F255 WeakPolarHBondContact CA-O 3.34Å; V179-F255 HydrophobicContact CB-CB 4.3Å; V179-F255 HydrophobicContact CB-CD1 4.36Å; V179-F255 HydrophobicContact CG2-CD1 4.08Å; V179-F255 PolarHBondContact N-O 3.48Å; V179-F255 PolarHBondContact O-N 3.18Å; M181-F255 HydrophobicContact CE-CB 4.29Å; L212-F255 HydrophobicContact CD1-CD2 4.44Å; L212-F255 HydrophobicContact CD1-CE2 4.35Å; I213-F255 HydrophobicContact CD1-CE2 4.46Å; I213-F255 HydrophobicContact CD1-CZ 4.02Å; W240-F255 HydrophobicContact CE3-CD2 4.49Å; W240-F255 AromaticContact CE3-CE2 3.88Å; W240-F255 HydrophobicContact CE3-CE2 3.88Å; T241-F255 WeakPolarHBondContact O-CA 3.48Å; I242-F255 HydrophobicContact CD1-CD2 3.85Å; I242-F255 HydrophobicContact CD1-CE2 4.48Å; I242-F255 HydrophobicContact CG1-CB 4.29Å; I242-F255 HydrophobicContact CG1-CD2 3.67Å; I242-F255 HydrophobicContact CG1-CG 4.44Å; F255-T257 HydrophobicContact CE1-CG2 3.6Å; F255-T257 HydrophobicContact CZ-CG2 3.8Å; F255-L267 HydrophobicContact CE1-CD2 4.15Å; F255-L267 HydrophobicContact CE1-CG 4.38Å; F255-L267 HydrophobicContact CZ-CD1 4.22Å; F255-L267 HydrophobicContact CZ-CD2 4.11Å; F255-L267 HydrophobicContact CZ-CG 4.31Å; F255-V271 HydrophobicContact CB-CG1 3.98Å; F255-V271 HydrophobicContact CD1-CG2 3.98Å; F255-V271 HydrophobicContact CD2-CG1 4.49Å; F255-V271 HydrophobicContact CD2-CG2 3.89Å; F255-V271 HydrophobicContact CE1-CG2 4Å; F255-V271 HydrophobicContact CE2-CG2 3.93Å; F255-V271 HydrophobicContact CG-CG1 4.09Å; F255-V271 HydrophobicContact CG-CG2 3.93Å; F255-V271 HydrophobicContact CZ-CG2 3.99Å |
| 256 | E | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.6 | 176.8 | 178.4 | -174.8 | 140.7 | 0 | 0 | 110.1 | K80 T176 L177 E178 Y239 W240 T241 | K80-E256 WeakPolarHBondContact CD-OE2 3.28Å; K80-E256 WeakPolarHBondContact CE-OE2 3.38Å; K80-E256 IonicContact NZ-OE2 3.66Å; K80-E256 PolarHBondContact NZ-OE2 3.34Å; T176-E256 HydrophobicContact CG2-CG 4.08Å; L177-E256 CarbonylContact O-C 3.53Å; L177-E256 VanDerWaalsContact O-CA 3.3Å; L177-E256 WeakPolarHBondContact O-CA 3.31Å; E178-E256 HydrophobicContact CG-CB 4.25Å; E178-E256 HydrophobicContact CG-CG 4.02Å; Y239-E256 HydrophobicContact CE2-CG 4.14Å; Y239-E256 WeakPolarHBondContact CE2-OE1 3.15Å; Y239-E256 PolarHBondContact OH-OE1 3.02Å; W240-E256 CarbonylContact C-O 3.58Å; W240-E256 WeakPolarHBondContact CA-O 3.27Å; W240-E256 VanDerWaalsContact CB-O 3.28Å; W240-E256 WeakPolarHBondContact CB-O 3.38Å; T241-E256 HydrophobicContact CG2-CB 4.01Å; T241-E256 PolarHBondContact N-O 3.44Å; T241-E256 PolarHBondContact O-N 2.88Å |
| 257 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | T176 L177 I213 Y239 F255 L259 L267 | T176-T257 WeakPolarHBondContact CA-O 3.17Å; L177-T257 HydrophobicContact CB-CG2 4.31Å; L177-T257 PolarHBondContact N-O 2.76Å; L177-T257 PolarHBondContact O-N 3.21Å; I213-T257 HydrophobicContact CD1-CG2 4.36Å; Y239-T257 WeakPolarHBondContact O-CA 3.49Å; Y239-T257 WeakPolarHBondContact O-CB 3.37Å; Y239-T257 PolarHBondContact O-OG1 2.79Å; F255-T257 HydrophobicContact CE1-CG2 3.6Å; F255-T257 HydrophobicContact CZ-CG2 3.8Å; T257-L259 HydrophobicContact CG2-CB 4.03Å; T257-L259 VanDerWaalsContact OG1-CB 3.29Å; T257-L259 WeakPolarHBondContact OG1-CB 3.41Å; T257-L259 PolarHBondContact OG1-N 2.95Å; T257-L267 HydrophobicContact CG2-CD2 3.94Å |
| 258 | N | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | trans | -97.1 | 14.2 | 164 | 73.5 | -19.2 | 0 | 0 | 0 | 113.8 | R76 Q175 G237 T238 Y239 S260 | R76-N258 PolarHBondContact NH2-ND2 3.28Å; Q175-N258 PolarHBondContact NE2-O 2.79Å; Q175-N258 WeakPolarHBondContact O-CA 3.28Å; Q175-N258 WeakPolarHBondContact O-CB 3.23Å; G237-N258 PolarHBondContact O-ND2 2.85Å; T238-N258 VanDerWaalsContact CA-OD1 3.24Å; T238-N258 WeakPolarHBondContact CA-OD1 3.48Å; Y239-N258 HydrophobicContact CD1-CB 4Å; Y239-N258 VanDerWaalsContact CD1-OD1 3.28Å; Y239-N258 WeakPolarHBondContact CD1-OD1 3.37Å; Y239-N258 HydrophobicContact CE1-CB 3.62Å; Y239-N258 PolarHBondContact N-OD1 2.93Å; Y239-N258 PolarHBondContact O-N 3.41Å; Y239-N258 PolarHBondContact O-OD1 3.2Å; N258-S260 PolarHBondContact O-N 3.22Å; N258-S260 VanDerWaalsContact O-N 3.12Å | ||
| 259 | L | 98.3 | Very high | 97 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | trans | -54.6 | 119.9 | -179.2 | 176.5 | 68.5 | 0 | 0 | 0 | 110.5 | I213 T238 T257 Q261 Y264 L267 | I213-L259 HydrophobicContact CD1-CB 4.21Å; I213-L259 HydrophobicContact CD1-CD2 3.87Å; I213-L259 HydrophobicContact CG1-CD2 4.01Å; I213-L259 HydrophobicContact CG2-CD1 4.47Å; I213-L259 HydrophobicContact CG2-CD2 4.17Å; T238-L259 HydrophobicContact CG2-CB 3.73Å; T238-L259 HydrophobicContact CG2-CD1 3.85Å; T238-L259 HydrophobicContact CG2-CG 4.4Å; T257-L259 HydrophobicContact CG2-CB 4.03Å; T257-L259 VanDerWaalsContact OG1-CB 3.29Å; T257-L259 WeakPolarHBondContact OG1-CB 3.41Å; T257-L259 PolarHBondContact OG1-N 2.95Å; L259-Q261 HydrophobicContact CD2-CG 4.32Å; L259-Q261 VanDerWaalsContact CD2-NE2 3.32Å; L259-Q261 HydrophobicContact CG-CG 4.33Å; L259-Q261 PolarHBondContact O-N 2.87Å; L259-Y264 WeakPolarHBondContact O-CE1 3.38Å; L259-Y264 PolarHBondContact O-OH 2.95Å; L259-L267 HydrophobicContact CD2-CD2 4.2Å | ||
| 260 | S | 96.9 | Very high | 97 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | trans | -69.1 | 124.8 | 177.6 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | N258 | N258-S260 PolarHBondContact O-N 3.22Å; N258-S260 VanDerWaalsContact O-N 3.12Å | ||
| 261 | Q | 94.8 | Very high | 97 | Very high | 67 Ų | 67 | 31 Ų | 31 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | trans | -132.3 | 160.2 | 176 | -68.4 | -63.7 | -42.1 | 0 | 0 | 110 | L259 S263 Y264 C292 | L259-Q261 HydrophobicContact CD2-CG 4.32Å; L259-Q261 VanDerWaalsContact CD2-NE2 3.32Å; L259-Q261 HydrophobicContact CG-CG 4.33Å; L259-Q261 PolarHBondContact O-N 2.87Å; Q261-S263 WeakPolarHBondContact CB-O 3.25Å; Q261-Y264 HydrophobicContact CB-CD1 4.1Å; Q261-Y264 HydrophobicContact CB-CD2 4.49Å; Q261-Y264 HydrophobicContact CB-CE1 3.96Å; Q261-Y264 HydrophobicContact CB-CE2 4.34Å; Q261-Y264 HydrophobicContact CB-CG 4.4Å; Q261-Y264 HydrophobicContact CG-CD1 4Å; Q261-Y264 HydrophobicContact CG-CE1 3.81Å; Q261-C292 VanDerWaalsContact O-CB 3.27Å; Q261-C292 WeakPolarHBondContact O-CB 3.36Å; Q261-C292 PolarHBondContact O-N 3.46Å | ||
| 262 | T | 93.3 | Very high | 97 | Very high | 95 Ų | 95 | 30.8 Ų | 30.8 | 58% | 0.583 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -82.9 | -35.2 | 167.7 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | K291 C292 V295 | T262-K291 HydrophobicContact CG2-CB 4.49Å; T262-C292 WeakPolarHBondContact O-CA 3.4Å; T262-V295 WeakPolarHBondContact O-CG2 3.3Å |
| 263 | S | 93.1 | Very high | 97 | Very high | 39 Ų | 39 | 35 Ų | 35 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | trans | -140.6 | 144.2 | 167.5 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | Q261 D265 | Q261-S263 WeakPolarHBondContact CB-O 3.25Å; S263-D265 VanDerWaalsContact OG-CG 3.27Å; S263-D265 PolarHBondContact OG-N 3.03Å; S263-D265 PolarHBondContact OG-OD2 3.21Å | ||
| 264 | Y | 94.8 | Very high | 97 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -91.8 | -1.6 | 177 | -75.6 | -78.1 | 0 | 0 | 0 | 114 | Q175 L177 L259 Q261 D266 L267 I268 L284 C292 | Q175-Y264 WeakPolarHBondContact CG-OH 3.34Å; L177-Y264 HydrophobicContact CB-CD1 4.16Å; L177-Y264 HydrophobicContact CB-CE1 3.98Å; L177-Y264 HydrophobicContact CD2-CD1 3.48Å; L177-Y264 VanDerWaalsContact CD2-CD1 3.48Å; L177-Y264 HydrophobicContact CD2-CE1 4.04Å; L177-Y264 HydrophobicContact CD2-CG 4.03Å; L177-Y264 HydrophobicContact CG-CD1 4.31Å; L259-Y264 WeakPolarHBondContact O-CE1 3.38Å; L259-Y264 PolarHBondContact O-OH 2.95Å; Q261-Y264 HydrophobicContact CB-CD1 4.1Å; Q261-Y264 HydrophobicContact CB-CD2 4.49Å; Q261-Y264 HydrophobicContact CB-CE1 3.96Å; Q261-Y264 HydrophobicContact CB-CE2 4.34Å; Q261-Y264 HydrophobicContact CB-CG 4.4Å; Q261-Y264 HydrophobicContact CG-CD1 4Å; Q261-Y264 HydrophobicContact CG-CE1 3.81Å; Y264-D266 VanDerWaalsContact C-N 3.28Å; Y264-D266 PolarHBondContact O-N 3.32Å; Y264-L267 HydrophobicContact CD1-CD2 4.04Å; Y264-L267 HydrophobicContact CE1-CD2 4.27Å; Y264-L267 PolarHBondContact O-N 2.85Å; Y264-L267 VanDerWaalsContact O-N 3.13Å; Y264-I268 WeakPolarHBondContact O-CB 3.41Å; Y264-I268 WeakPolarHBondContact O-CG1 3.22Å; Y264-I268 PolarHBondContact O-N 3.18Å; Y264-L284 HydrophobicContact CD2-CD1 3.68Å; Y264-L284 HydrophobicContact CD2-CD2 3.72Å; Y264-L284 HydrophobicContact CD2-CG 4.38Å; Y264-L284 HydrophobicContact CE2-CD1 3.38Å; Y264-L284 HydrophobicContact CE2-CD2 4.13Å; Y264-L284 HydrophobicContact CE2-CG 4.41Å; Y264-C292 HydrophobicContact CE2-CB 4.3Å |
| 265 | D | 93 | Very high | 96.9 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.4 | -45 | -176.4 | -67.4 | -32.7 | 0 | 0 | 0 | 112.4 | S263 R269 Q300 | S263-D265 VanDerWaalsContact OG-CG 3.27Å; S263-D265 PolarHBondContact OG-N 3.03Å; S263-D265 PolarHBondContact OG-OD2 3.21Å; D265-R269 WeakPolarHBondContact O-CB 3.41Å; D265-R269 PolarHBondContact O-N 2.79Å; D265-Q300 VanDerWaalsContact OD1-CG 3.25Å; D265-Q300 WeakPolarHBondContact OD1-CG 3.28Å |
| 266 | D | 94.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 54% | 0.535 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.5 | -37.7 | -178.7 | -72.8 | -12.7 | 0 | 0 | 0 | 112.5 | Y264 R269 K270 | Y264-D266 VanDerWaalsContact C-N 3.28Å; Y264-D266 PolarHBondContact O-N 3.32Å; D266-R269 IonicContact OD1-CZ 2.7Å; D266-R269 IonicContact OD1-NH1 3.25Å; D266-R269 PolarHBondContact OD1-NH1 3.35Å; D266-R269 IonicContact OD1-NH2 3.79Å; D266-K270 VanDerWaalsContact O-CG 3.3Å; D266-K270 WeakPolarHBondContact O-CG 3.32Å; D266-K270 PolarHBondContact O-N 2.54Å |
| 267 | L | 97.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -45.5 | 178 | -177.8 | 59.7 | 0 | 0 | 0 | 110.7 | L177 I213 F255 T257 L259 Y264 R269 K270 V271 | L177-L267 HydrophobicContact CD2-CD2 4.12Å; I213-L267 HydrophobicContact CG1-CD1 4.3Å; F255-L267 HydrophobicContact CE1-CD2 4.15Å; F255-L267 HydrophobicContact CE1-CG 4.38Å; F255-L267 HydrophobicContact CZ-CD1 4.22Å; F255-L267 HydrophobicContact CZ-CD2 4.11Å; F255-L267 HydrophobicContact CZ-CG 4.31Å; T257-L267 HydrophobicContact CG2-CD2 3.94Å; L259-L267 HydrophobicContact CD2-CD2 4.2Å; Y264-L267 HydrophobicContact CD1-CD2 4.04Å; Y264-L267 HydrophobicContact CE1-CD2 4.27Å; Y264-L267 PolarHBondContact O-N 2.85Å; Y264-L267 VanDerWaalsContact O-N 3.13Å; L267-R269 VanDerWaalsContact C-N 3.3Å; L267-R269 PolarHBondContact O-N 3.29Å; L267-K270 PolarHBondContact O-N 3.29Å; L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.8Å |
| 268 | I | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.9 | -67.4 | 164.2 | 0 | 0 | 0 | 109.8 | L177 V179 Y264 K270 V271 V272 F280 T282 | L177-I268 HydrophobicContact CD1-CD1 4.14Å; L177-I268 HydrophobicContact CD1-CG1 4.3Å; L177-I268 HydrophobicContact CD2-CG1 3.96Å; V179-I268 HydrophobicContact CG2-CG1 4.13Å; Y264-I268 WeakPolarHBondContact O-CB 3.41Å; Y264-I268 WeakPolarHBondContact O-CG1 3.22Å; Y264-I268 PolarHBondContact O-N 3.18Å; I268-K270 PolarHBondContact O-N 3.16Å; I268-V271 PolarHBondContact O-N 3.1Å; I268-V272 HydrophobicContact CG2-CG2 4.26Å; I268-V272 WeakPolarHBondContact O-CB 3.44Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.29Å; I268-V272 PolarHBondContact O-N 3.1Å; I268-F280 HydrophobicContact CG2-CE2 4.12Å; I268-T282 HydrophobicContact CD1-CG2 4.2Å; I268-T282 HydrophobicContact CG1-CG2 4.48Å; I268-T282 HydrophobicContact CG2-CG2 4.34Å |
| 269 | R | 97.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 176 | -169.3 | -175.4 | -52 | 107.1 | 7.9 | 111.9 | D265 D266 L267 V271 V272 D273 L302 | D265-R269 WeakPolarHBondContact O-CB 3.41Å; D265-R269 PolarHBondContact O-N 2.79Å; D266-R269 IonicContact OD1-CZ 2.7Å; D266-R269 IonicContact OD1-NH1 3.25Å; D266-R269 PolarHBondContact OD1-NH1 3.35Å; D266-R269 IonicContact OD1-NH2 3.79Å; L267-R269 VanDerWaalsContact C-N 3.3Å; L267-R269 PolarHBondContact O-N 3.29Å; R269-V271 PolarHBondContact O-N 3.26Å; R269-V272 PolarHBondContact O-N 3.28Å; R269-D273 WeakPolarHBondContact O-CB 3.35Å; R269-D273 PolarHBondContact O-N 2.68Å; R269-L302 HydrophobicContact CB-CD1 3.75Å; R269-L302 HydrophobicContact CG-CD1 3.88Å |
| 270 | K | 97.9 | Very high | 96.9 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 177.7 | -74.7 | 174.3 | 179.7 | -176.4 | 0 | 112.6 | L212 D266 L267 I268 D273 V274 | L212-K270 HydrophobicContact CD2-CB 3.96Å; D266-K270 VanDerWaalsContact O-CG 3.3Å; D266-K270 WeakPolarHBondContact O-CG 3.32Å; D266-K270 PolarHBondContact O-N 2.54Å; L267-K270 PolarHBondContact O-N 3.29Å; I268-K270 PolarHBondContact O-N 3.16Å; K270-D273 PolarHBondContact O-N 3.25Å; K270-V274 WeakPolarHBondContact O-CG2 3.31Å; K270-V274 PolarHBondContact O-N 3.32Å; K270-V274 VanDerWaalsContact O-N 3.11Å |
| 271 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | V179 M181 L212 F255 L267 I268 R269 D273 V274 F275 | V179-V271 HydrophobicContact CB-CG1 4.24Å; V179-V271 HydrophobicContact CG1-CG1 4.14Å; M181-V271 HydrophobicContact CE-CG1 3.72Å; M181-V271 HydrophobicContact SD-CG1 4.03Å; L212-V271 HydrophobicContact CD1-CG2 4.36Å; L212-V271 HydrophobicContact CD2-CG2 4.09Å; F255-V271 HydrophobicContact CB-CG1 3.98Å; F255-V271 HydrophobicContact CD1-CG2 3.98Å; F255-V271 HydrophobicContact CD2-CG1 4.49Å; F255-V271 HydrophobicContact CD2-CG2 3.89Å; F255-V271 HydrophobicContact CE1-CG2 4Å; F255-V271 HydrophobicContact CE2-CG2 3.93Å; F255-V271 HydrophobicContact CG-CG1 4.09Å; F255-V271 HydrophobicContact CG-CG2 3.93Å; F255-V271 HydrophobicContact CZ-CG2 3.99Å; L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 VanDerWaalsContact O-CG2 3.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.8Å; I268-V271 PolarHBondContact O-N 3.1Å; R269-V271 PolarHBondContact O-N 3.26Å; V271-D273 VanDerWaalsContact C-N 3.33Å; V271-D273 PolarHBondContact O-N 3.18Å; V271-V274 PolarHBondContact O-N 3.35Å; V271-F275 HydrophobicContact CG1-CD2 3.94Å; V271-F275 HydrophobicContact CG1-CE2 4.26Å; V271-F275 VanDerWaalsContact O-CD2 3.25Å; V271-F275 WeakPolarHBondContact O-CD2 3.07Å; V271-F275 PolarHBondContact O-N 3.02Å; V271-F275 VanDerWaalsContact O-N 3.09Å |
| 272 | V | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -33.5 | -179.9 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | V179 I268 R269 K276 P277 F280 L302 Y305 | V179-V272 HydrophobicContact CG1-CG2 4.44Å; I268-V272 HydrophobicContact CG2-CG2 4.26Å; I268-V272 WeakPolarHBondContact O-CB 3.44Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.29Å; I268-V272 PolarHBondContact O-N 3.1Å; R269-V272 PolarHBondContact O-N 3.28Å; V272-K276 VanDerWaalsContact O-CA 3.31Å; V272-K276 WeakPolarHBondContact O-CA 3.25Å; V272-K276 PolarHBondContact O-N 3.46Å; V272-P277 HydrophobicContact CG1-CG 4.04Å; V272-P277 HydrophobicContact CG2-CG 4.45Å; V272-F280 HydrophobicContact CG1-CE1 4.23Å; V272-F280 HydrophobicContact CG2-CD1 4.17Å; V272-F280 HydrophobicContact CG2-CD2 4.32Å; V272-F280 HydrophobicContact CG2-CE1 3.87Å; V272-F280 HydrophobicContact CG2-CE2 4.02Å; V272-F280 HydrophobicContact CG2-CG 4.41Å; V272-F280 HydrophobicContact CG2-CZ 3.82Å; V272-L302 HydrophobicContact CB-CD2 4.27Å; V272-L302 HydrophobicContact CG1-CD2 4.02Å; V272-L302 HydrophobicContact CG2-CD2 4.14Å; V272-Y305 HydrophobicContact CG1-CD2 4.2Å; V272-Y305 HydrophobicContact CG1-CE1 4.37Å; V272-Y305 HydrophobicContact CG1-CE2 3.29Å; V272-Y305 VanDerWaalsContact CG1-OH 3.22Å; V272-Y305 WeakPolarHBondContact CG1-OH 3.46Å |
| 273 | D | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 49% | 0.487 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.9 | -35.5 | 176.8 | -75.8 | -22.1 | 0 | 0 | 0 | 112.5 | R269 K270 V271 K276 | R269-D273 WeakPolarHBondContact O-CB 3.35Å; R269-D273 PolarHBondContact O-N 2.68Å; K270-D273 PolarHBondContact O-N 3.25Å; V271-D273 VanDerWaalsContact C-N 3.33Å; V271-D273 PolarHBondContact O-N 3.18Å; D273-K276 WeakPolarHBondContact O-CG 3.36Å; D273-K276 PolarHBondContact O-NZ 3.25Å |
| 274 | V | 98.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -48.8 | 174.4 | 164.6 | 0 | 0 | 0 | 0 | 110.8 | I188 S207 I209 L212 K270 V271 | I188-V274 WeakPolarHBondContact CG2-O 3.01Å; S207-V274 WeakPolarHBondContact O-CG1 3.35Å; I209-V274 HydrophobicContact CG1-CG1 4.34Å; L212-V274 HydrophobicContact CD2-CG2 3.89Å; K270-V274 WeakPolarHBondContact O-CG2 3.31Å; K270-V274 PolarHBondContact O-N 3.32Å; K270-V274 VanDerWaalsContact O-N 3.11Å; V271-V274 PolarHBondContact O-N 3.35Å |
| 275 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -95.7 | -19.5 | -169.7 | -68.3 | -63.3 | 0 | 0 | 0 | 115.2 | M181 L184 M189 F192 I209 L212 I242 I244 V253 V271 | M181-F275 HydrophobicContact CE-CB 4.42Å; M181-F275 HydrophobicContact CE-CD2 3.72Å; M181-F275 HydrophobicContact CE-CE2 4.32Å; M181-F275 HydrophobicContact CE-CG 4.24Å; M181-F275 HydrophobicContact SD-CB 3.74Å; M181-F275 HydrophobicContact SD-CD2 3.99Å; M181-F275 HydrophobicContact SD-CG 4.19Å; L184-F275 HydrophobicContact CD2-CB 3.82Å; M189-F275 HydrophobicContact CE-CD1 4.33Å; F192-F275 HydrophobicContact CE2-CE1 4.31Å; F192-F275 HydrophobicContact CZ-CE1 4.01Å; I209-F275 HydrophobicContact CD1-CE1 4.1Å; I209-F275 HydrophobicContact CD1-CZ 3.83Å; I209-F275 HydrophobicContact CG1-CE1 4.33Å; I209-F275 HydrophobicContact CG1-CZ 3.79Å; L212-F275 HydrophobicContact CD1-CE2 4.4Å; I242-F275 HydrophobicContact CD1-CE2 4.28Å; I242-F275 HydrophobicContact CD1-CZ 4.15Å; I242-F275 HydrophobicContact CG2-CZ 3.95Å; I244-F275 HydrophobicContact CD1-CE1 3.7Å; I244-F275 HydrophobicContact CD1-CZ 4.26Å; V253-F275 HydrophobicContact CG1-CD1 4.1Å; V253-F275 HydrophobicContact CG1-CD2 4.17Å; V253-F275 HydrophobicContact CG1-CE1 4.04Å; V253-F275 HydrophobicContact CG1-CE2 4.11Å; V253-F275 HydrophobicContact CG1-CG 4.17Å; V253-F275 HydrophobicContact CG1-CZ 4.04Å; V253-F275 HydrophobicContact CG2-CD1 4.19Å; V271-F275 HydrophobicContact CG1-CD2 3.94Å; V271-F275 HydrophobicContact CG1-CE2 4.26Å; V271-F275 VanDerWaalsContact O-CD2 3.25Å; V271-F275 WeakPolarHBondContact O-CD2 3.07Å; V271-F275 PolarHBondContact O-N 3.02Å; V271-F275 VanDerWaalsContact O-N 3.09Å |
| 276 | K | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 30 Ų | 30 | 36% | 0.361 | 15% | 0.147 | S | C | . | . | trans | 50.3 | 50.5 | 177.4 | -55 | -168.9 | -173.4 | -49.8 | 0 | 115.2 | D185 I188 V272 D273 | D185-K276 HydrophobicContact CB-CB 3.82Å; D185-K276 PolarHBondContact N-O 2.86Å; I188-K276 HydrophobicContact CD1-CD 4.2Å; I188-K276 HydrophobicContact CG1-CB 4.36Å; I188-K276 HydrophobicContact CG1-CD 4Å; I188-K276 HydrophobicContact CG1-CG 4.18Å; V272-K276 VanDerWaalsContact O-CA 3.31Å; V272-K276 WeakPolarHBondContact O-CA 3.25Å; V272-K276 PolarHBondContact O-N 3.46Å; D273-K276 WeakPolarHBondContact O-CG 3.36Å; D273-K276 PolarHBondContact O-NZ 3.25Å | ||
| 277 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -63.1 | 151.8 | -179.4 | 28.7 | -37.6 | 0 | 0 | 0 | 114.2 | M181 V272 F280 Y305 | M181-P277 HydrophobicContact CB-CB 3.91Å; M181-P277 HydrophobicContact CB-CG 4.36Å; M181-P277 HydrophobicContact CG-CB 4.05Å; M181-P277 HydrophobicContact CG-CG 3.94Å; M181-P277 HydrophobicContact SD-CG 4.12Å; V272-P277 HydrophobicContact CG1-CG 4.04Å; V272-P277 HydrophobicContact CG2-CG 4.45Å; P277-F280 HydrophobicContact CB-CB 4.49Å; P277-F280 HydrophobicContact CG-CB 4.32Å; P277-F280 HydrophobicContact CG-CD1 3.85Å; P277-F280 HydrophobicContact CG-CG 4.37Å; P277-Y305 HydrophobicContact CG-CE1 4.41Å; P277-Y305 VanDerWaalsContact O-CE1 3.29Å; P277-Y305 WeakPolarHBondContact O-CE1 3.48Å; P277-Y305 PolarHBondContact O-OH 3.31Å | ||
| 278 | G | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 27 Ų | 27 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -75.2 | -32.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S182 D183 K327 | S182-G278 PolarHBondContact O-N 2.88Å; S182-G278 VanDerWaalsContact O-N 3.16Å; D183-G278 WeakPolarHBondContact O-CA 3.25Å; D183-G278 PolarHBondContact O-N 2.84Å; G278-K327 VanDerWaalsContact O-CB 3.3Å; G278-K327 WeakPolarHBondContact O-CB 3.44Å; G278-K327 PolarHBondContact O-N 2.83Å |
| 279 | K | 98.4 | Very high | 97.1 | Very high | 60 Ų | 60 | 29.6 Ų | 29.6 | 26% | 0.261 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 154.4 | 174 | 63.1 | -179.1 | -173.8 | 157.9 | 0 | 110.9 | D155 S182 D183 Y325 A326 | D155-K279 IonicContact OD1-NZ 3.16Å; D155-K279 PolarHBondContact OD1-NZ 3.44Å; D155-K279 WeakPolarHBondContact OD2-CD 3.46Å; D155-K279 IonicContact OD2-NZ 3.48Å; D155-K279 PolarHBondContact OD2-NZ 2.82Å; S182-K279 PolarHBondContact N-O 2.92Å; S182-K279 PolarHBondContact O-N 2.8Å; S182-K279 VanDerWaalsContact O-O 3.12Å; D183-K279 WeakPolarHBondContact OD2-CE 3.26Å; K279-Y325 WeakPolarHBondContact CA-O 3.42Å; K279-Y325 WeakPolarHBondContact CB-O 3.34Å; K279-A326 HydrophobicContact CB-CB 4.48Å |
| 280 | F | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 159.6 | 175.7 | 68.7 | -83.4 | 0 | 0 | 0 | 111.4 | V179 L180 M181 I268 V272 P277 T282 L302 Y305 Y325 | V179-F280 HydrophobicContact CG1-CD2 3.89Å; V179-F280 HydrophobicContact CG1-CE2 4.48Å; L180-F280 CarbonylContact O-C 3.48Å; L180-F280 WeakPolarHBondContact O-CA 3.32Å; L180-F280 VanDerWaalsContact O-CB 3.28Å; L180-F280 WeakPolarHBondContact O-CB 3.44Å; M181-F280 HydrophobicContact CB-CB 4.29Å; M181-F280 HydrophobicContact CG-CB 3.7Å; M181-F280 HydrophobicContact CG-CG 4.5Å; I268-F280 HydrophobicContact CG2-CE2 4.12Å; V272-F280 HydrophobicContact CG1-CE1 4.23Å; V272-F280 HydrophobicContact CG2-CD1 4.17Å; V272-F280 HydrophobicContact CG2-CD2 4.32Å; V272-F280 HydrophobicContact CG2-CE1 3.87Å; V272-F280 HydrophobicContact CG2-CE2 4.02Å; V272-F280 HydrophobicContact CG2-CG 4.41Å; V272-F280 HydrophobicContact CG2-CZ 3.82Å; P277-F280 HydrophobicContact CB-CB 4.49Å; P277-F280 HydrophobicContact CG-CB 4.32Å; P277-F280 HydrophobicContact CG-CD1 3.85Å; P277-F280 HydrophobicContact CG-CG 4.37Å; F280-T282 HydrophobicContact CD2-CG2 3.91Å; F280-T282 HydrophobicContact CE2-CG2 3.74Å; F280-L302 HydrophobicContact CE1-CD2 3.86Å; F280-L302 HydrophobicContact CE2-CD2 4.49Å; F280-L302 HydrophobicContact CZ-CD2 3.42Å; F280-L302 VanDerWaalsContact CZ-CD2 3.42Å; F280-Y305 HydrophobicContact CD1-CD1 4.09Å; F280-Y305 AromaticContact CD1-CE1 3.97Å; F280-Y305 HydrophobicContact CD1-CE1 3.97Å; F280-Y305 AromaticContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD2 4.33Å; F280-Y305 AromaticContact CE1-CE1 3.75Å; F280-Y305 HydrophobicContact CE1-CE1 3.75Å; F280-Y305 HydrophobicContact CE1-CE2 4.49Å; F280-Y305 AromaticContact CE1-CG 3.88Å; F280-Y305 HydrophobicContact CE1-CG 3.88Å; F280-Y325 AromaticContact CD2-CD2 3.93Å; F280-Y325 HydrophobicContact CD2-CD2 3.93Å; F280-Y325 VanDerWaalsContact CE1-CB 3.5Å; F280-Y325 HydrophobicContact CE1-CD2 4.13Å; F280-Y325 AromaticContact CE1-CG 3.93Å; F280-Y325 HydrophobicContact CE1-CG 3.93Å; F280-Y325 AromaticContact CE2-CD2 3.24Å; F280-Y325 HydrophobicContact CE2-CD2 3.24Å; F280-Y325 AromaticContact CE2-CE2 3.71Å; F280-Y325 HydrophobicContact CE2-CE2 3.71Å; F280-Y325 AromaticContact CE2-CG 3.89Å; F280-Y325 HydrophobicContact CE2-CG 3.89Å; F280-Y325 HydrophobicContact CZ-CD1 4.22Å; F280-Y325 AromaticContact CZ-CD2 3.33Å; F280-Y325 HydrophobicContact CZ-CD2 3.33Å; F280-Y325 AromaticContact CZ-CE2 3.95Å; F280-Y325 HydrophobicContact CZ-CE2 3.95Å; F280-Y325 AromaticContact CZ-CG 3.47Å; F280-Y325 HydrophobicContact CZ-CG 3.47Å; F280-Y325 VanDerWaalsContact CZ-CG 3.47Å; F280-Y325 PolarHBondContact N-O 3.08Å; F280-Y325 PolarHBondContact O-N 3.42Å |
| 281 | V | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 154.5 | 169.6 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | K115 D155 L180 F322 T323 | K115-V281 HydrophobicContact CD-CG2 4.07Å; D155-V281 HydrophobicContact CB-CG1 4.14Å; L180-V281 HydrophobicContact CB-CG2 3.8Å; L180-V281 HydrophobicContact CD1-CG2 4.11Å; L180-V281 HydrophobicContact CG-CG2 4.29Å; L180-V281 PolarHBondContact N-O 3.32Å; L180-V281 PolarHBondContact O-N 2.97Å; V281-F322 HydrophobicContact CB-CE2 3.76Å; V281-F322 HydrophobicContact CB-CZ 4.09Å; V281-F322 HydrophobicContact CG1-CE2 3.89Å; V281-F322 HydrophobicContact CG1-CZ 3.74Å; V281-F322 HydrophobicContact CG2-CE2 4.19Å; V281-T323 CarbonylContact C-O 3.25Å; V281-T323 VanDerWaalsContact CA-O 3.22Å; V281-T323 WeakPolarHBondContact CA-O 3.38Å |
| 282 | T | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.3 | 171.8 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | E178 V179 I268 F280 F322 T323 Y325 | E178-T282 WeakPolarHBondContact O-CA 3.34Å; V179-T282 HydrophobicContact CG1-CG2 4.37Å; V179-T282 HydrophobicContact CG2-CG2 4.2Å; I268-T282 HydrophobicContact CD1-CG2 4.2Å; I268-T282 HydrophobicContact CG1-CG2 4.48Å; I268-T282 HydrophobicContact CG2-CG2 4.34Å; F280-T282 HydrophobicContact CD2-CG2 3.91Å; F280-T282 HydrophobicContact CE2-CG2 3.74Å; T282-F322 WeakPolarHBondContact O-CA 3.25Å; T282-T323 PolarHBondContact N-O 3.12Å; T282-T323 PolarHBondContact O-N 2.65Å; T282-Y325 HydrophobicContact CG2-CE2 4.32Å |
| 283 | T | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137 | 169.4 | 59.6 | 0 | 0 | 0 | 0 | 108.2 | W157 L177 E178 F320 V321 F322 | W157-T283 HydrophobicContact CB-CG2 4.44Å; W157-T283 HydrophobicContact CD2-CG2 3.76Å; W157-T283 HydrophobicContact CE3-CG2 4.36Å; W157-T283 HydrophobicContact CG-CG2 3.78Å; W157-T283 HydrophobicContact CZ2-CG2 4.26Å; L177-T283 CarbonylContact C-O 3.48Å; L177-T283 WeakPolarHBondContact CA-O 3.41Å; E178-T283 WeakPolarHBondContact CB-OG1 3.31Å; E178-T283 WeakPolarHBondContact CG-OG1 3.29Å; E178-T283 PolarHBondContact N-O 2.63Å; E178-T283 PolarHBondContact O-N 3.25Å; E178-T283 VanDerWaalsContact O-N 3.11Å; E178-T283 PolarHBondContact OE2-OG1 2.93Å; T283-F320 HydrophobicContact CG2-CE2 4.29Å; T283-F320 HydrophobicContact CG2-CZ 4.04Å; T283-V321 CarbonylContact C-O 3.57Å; T283-V321 WeakPolarHBondContact CA-O 3.49Å; T283-F322 HydrophobicContact CG2-CD2 4.26Å |
| 284 | L | 97.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 113.2 | 179.4 | 177.4 | 62.8 | 0 | 0 | 0 | 109.9 | T176 L177 Y264 V286 F320 V321 | T176-L284 WeakPolarHBondContact O-CA 3.3Å; L177-L284 HydrophobicContact CB-CD1 4.13Å; L177-L284 HydrophobicContact CD1-CB 4.42Å; L177-L284 HydrophobicContact CD1-CD1 4.47Å; Y264-L284 HydrophobicContact CD2-CD1 3.68Å; Y264-L284 HydrophobicContact CD2-CD2 3.72Å; Y264-L284 HydrophobicContact CD2-CG 4.38Å; Y264-L284 HydrophobicContact CE2-CD1 3.38Å; Y264-L284 HydrophobicContact CE2-CD2 4.13Å; Y264-L284 HydrophobicContact CE2-CG 4.41Å; L284-V286 HydrophobicContact CD1-CG2 3.97Å; L284-V286 HydrophobicContact CD2-CG2 3.91Å; L284-V286 HydrophobicContact CG-CG2 3.63Å; L284-F320 CarbonylContact O-C 3.27Å; L284-F320 VanDerWaalsContact O-CA 3.31Å; L284-F320 WeakPolarHBondContact O-CA 3.4Å; L284-V321 PolarHBondContact N-O 3.43Å; L284-V321 PolarHBondContact O-N 3.24Å |
| 285 | F | 96.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.8 | 167.5 | -77.7 | -92.4 | 0 | 0 | 0 | 109.9 | F111 W157 L159 Q175 T176 F315 Y318 F320 | F111-F285 AromaticContact CD1-CE1 3.87Å; F111-F285 HydrophobicContact CD1-CE1 3.87Å; F111-F285 HydrophobicContact CD1-CZ 4.06Å; F111-F285 HydrophobicContact CE1-CD1 4.18Å; F111-F285 AromaticContact CE1-CE1 3.62Å; F111-F285 HydrophobicContact CE1-CE1 3.62Å; F111-F285 HydrophobicContact CE1-CZ 4.28Å; F111-F285 HydrophobicContact CZ-CE1 4.46Å; W157-F285 AromaticContact CH2-CE2 3.57Å; W157-F285 HydrophobicContact CH2-CE2 3.57Å; W157-F285 AromaticContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CH2-CZ 3.74Å; W157-F285 HydrophobicContact CZ2-CE2 4.15Å; W157-F285 HydrophobicContact CZ3-CE2 4.42Å; W157-F285 HydrophobicContact CZ3-CZ 4.37Å; L159-F285 HydrophobicContact CD1-CZ 4.29Å; L159-F285 HydrophobicContact CD2-CE1 4.34Å; L159-F285 HydrophobicContact CD2-CZ 3.92Å; Q175-F285 CarbonylContact C-O 3.6Å; Q175-F285 WeakPolarHBondContact CA-O 3.43Å; Q175-F285 VanDerWaalsContact CB-O 3.28Å; Q175-F285 WeakPolarHBondContact CB-O 3.43Å; T176-F285 PolarHBondContact N-O 3.44Å; T176-F285 PolarHBondContact O-N 3.42Å; F285-F315 AromaticContact CE1-CD2 3.77Å; F285-F315 HydrophobicContact CE1-CD2 3.77Å; F285-F315 HydrophobicContact CE1-CE2 4.13Å; F285-F315 HydrophobicContact CZ-CD2 4.43Å; F285-F315 HydrophobicContact CZ-CE2 4.36Å; F285-Y318 HydrophobicContact CB-CD1 3.92Å; F285-Y318 HydrophobicContact CB-CE1 4.46Å; F285-Y318 HydrophobicContact CD1-CD1 4.12Å; F285-Y318 HydrophobicContact CD1-CG 4.22Å; F285-F320 AromaticContact CD1-CD2 3.99Å; F285-F320 HydrophobicContact CD1-CD2 3.99Å; F285-F320 AromaticContact CD2-CD2 3.65Å; F285-F320 HydrophobicContact CD2-CD2 3.65Å; F285-F320 AromaticContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CE1-CB 4.42Å; F285-F320 AromaticContact CE1-CD2 3.74Å; F285-F320 HydrophobicContact CE1-CD2 3.74Å; F285-F320 HydrophobicContact CE1-CE2 4.48Å; F285-F320 HydrophobicContact CE1-CG 4.42Å; F285-F320 AromaticContact CE2-CD2 3.38Å; F285-F320 HydrophobicContact CE2-CD2 3.38Å; F285-F320 AromaticContact CE2-CE2 3.38Å; F285-F320 HydrophobicContact CE2-CE2 3.38Å; F285-F320 AromaticContact CG-CD2 3.95Å; F285-F320 HydrophobicContact CG-CD2 3.95Å; F285-F320 AromaticContact CZ-CD2 3.42Å; F285-F320 HydrophobicContact CZ-CD2 3.42Å; F285-F320 VanDerWaalsContact CZ-CD2 3.42Å; F285-F320 AromaticContact CZ-CE2 3.72Å; F285-F320 HydrophobicContact CZ-CE2 3.72Å; F285-F320 HydrophobicContact CZ-CG 4.37Å |
| 286 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 113.6 | -179.5 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L284 C292 R293 F296 N319 | L284-V286 HydrophobicContact CD1-CG2 3.97Å; L284-V286 HydrophobicContact CD2-CG2 3.91Å; L284-V286 HydrophobicContact CG-CG2 3.63Å; V286-C292 WeakPolarHBondContact CG1-SG 3.49Å; V286-C292 WeakPolarHBondContact CG2-SG 3.35Å; V286-R293 HydrophobicContact CG1-CB 4.16Å; V286-F296 HydrophobicContact CG2-CB 4.11Å; V286-N319 PolarHBondContact N-O 2.92Å; V286-N319 PolarHBondContact O-N 3.47Å |
| 287 | N | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 174.8 | 175.3 | 81.7 | 1.9 | 0 | 0 | 0 | 113.2 | K172 D174 S289 S290 D317 Y318 | K172-N287 PolarHBondContact O-ND2 3.46Å; D174-N287 PolarHBondContact N-ND2 3.22Å; D174-N287 PolarHBondContact N-OD1 3.43Å; D174-N287 VanDerWaalsContact N-OD1 3.08Å; D174-N287 PolarHBondContact O-N 2.99Å; D174-N287 PolarHBondContact O-OD1 3.16Å; N287-S289 PolarHBondContact O-N 2.88Å; N287-S289 VanDerWaalsContact O-N 3.1Å; N287-S289 PolarHBondContact OD1-N 3.07Å; N287-S289 VanDerWaalsContact OD1-N 3.14Å; N287-S290 PolarHBondContact O-N 3.41Å; N287-S290 PolarHBondContact OD1-N 3.17Å; N287-D317 WeakPolarHBondContact CA-O 3.48Å; N287-Y318 HydrophobicContact CB-CD1 3.86Å; N287-Y318 HydrophobicContact CB-CD2 4.45Å; N287-Y318 HydrophobicContact CB-CE1 3.75Å; N287-Y318 HydrophobicContact CB-CE2 4.28Å; N287-Y318 HydrophobicContact CB-CG 4.24Å |
| 288 | Q | 89.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.6 | -174.2 | -57.7 | -54.7 | -44.2 | 0 | 0 | 114.4 | R293 D317 | Q288-R293 WeakPolarHBondContact O-CD 3.34Å; Q288-R293 PolarHBondContact O-NH1 3.01Å; Q288-D317 PolarHBondContact N-O 3.29Å; Q288-D317 PolarHBondContact NE2-O 2.97Å |
| 289 | S | 91.6 | Very high | 89.2 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -4.8 | -174.9 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | A173 N287 | A173-S289 VanDerWaalsContact CB-O 3.32Å; A173-S289 WeakPolarHBondContact CB-O 3.21Å; N287-S289 PolarHBondContact O-N 2.88Å; N287-S289 VanDerWaalsContact O-N 3.1Å; N287-S289 PolarHBondContact OD1-N 3.07Å; N287-S289 VanDerWaalsContact OD1-N 3.14Å |
| 290 | S | 91.3 | Very high | 88 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | trans | -75.6 | 147.5 | -176.5 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | Q175 N287 C292 R293 | Q175-S290 PolarHBondContact OE1-OG 3.42Å; N287-S290 PolarHBondContact O-N 3.41Å; N287-S290 PolarHBondContact OD1-N 3.17Å; S290-C292 VanDerWaalsContact C-N 3.28Å; S290-C292 PolarHBondContact O-N 2.98Å; S290-C292 PolarHBondContact OG-SG 3.36Å; S290-C292 VanDerWaalsContact OG-SG 3.34Å; S290-R293 VanDerWaalsContact O-CB 3.29Å; S290-R293 WeakPolarHBondContact O-CB 3.5Å; S290-R293 PolarHBondContact O-N 2.61Å | ||
| 291 | K | 90.6 | Very high | 87.1 | Confident | 141 Ų | 141 | 46.2 Ų | 46.2 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.2 | -178.1 | -65.2 | -177.9 | -176.2 | 173.4 | 0 | 113.8 | T262 R293 | T262-K291 HydrophobicContact CG2-CB 4.49Å; K291-R293 VanDerWaalsContact C-N 3.35Å |
| 292 | C | 87.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -0.2 | 179.9 | 56 | 0 | 0 | 0 | 0 | 113.7 | Q261 T262 Y264 V286 S290 S294 V295 F296 | Q261-C292 VanDerWaalsContact O-CB 3.27Å; Q261-C292 WeakPolarHBondContact O-CB 3.36Å; Q261-C292 PolarHBondContact O-N 3.46Å; T262-C292 WeakPolarHBondContact O-CA 3.4Å; Y264-C292 HydrophobicContact CE2-CB 4.3Å; V286-C292 WeakPolarHBondContact CG1-SG 3.49Å; V286-C292 WeakPolarHBondContact CG2-SG 3.35Å; S290-C292 VanDerWaalsContact C-N 3.28Å; S290-C292 PolarHBondContact O-N 2.98Å; S290-C292 PolarHBondContact OG-SG 3.36Å; S290-C292 VanDerWaalsContact OG-SG 3.34Å; C292-S294 PolarHBondContact O-N 3.32Å; C292-S294 VanDerWaalsContact O-N 3.13Å; C292-V295 CarbonylContact O-C 3.6Å; C292-V295 PolarHBondContact O-N 3.43Å; C292-F296 PolarHBondContact O-N 3.22Å |
| 293 | R | 83.4 | Confident | 86.2 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.4 | -178.4 | 177.1 | 179.2 | 175.6 | -168 | -1.3 | 114.4 | V286 Q288 S290 K291 V295 F296 | V286-R293 HydrophobicContact CG1-CB 4.16Å; Q288-R293 WeakPolarHBondContact O-CD 3.34Å; Q288-R293 PolarHBondContact O-NH1 3.01Å; S290-R293 VanDerWaalsContact O-CB 3.29Å; S290-R293 WeakPolarHBondContact O-CB 3.5Å; S290-R293 PolarHBondContact O-N 2.61Å; K291-R293 VanDerWaalsContact C-N 3.35Å; R293-V295 VanDerWaalsContact C-N 3.3Å; R293-F296 WeakPolarHBondContact O-CD1 3.34Å; R293-F296 VanDerWaalsContact O-CE1 3.3Å; R293-F296 WeakPolarHBondContact O-CE1 3.32Å |
| 294 | S | 78.9 | Confident | 86.1 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 70% | 0.699 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -18.8 | 179.4 | 49.4 | 0 | 0 | 0 | 0 | 113 | C292 | C292-S294 PolarHBondContact O-N 3.32Å; C292-S294 VanDerWaalsContact O-N 3.13Å |
| 295 | V | 81.2 | Confident | 86 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -7.4 | -166.9 | -131.8 | 0 | 0 | 0 | 0 | 113 | T262 C292 R293 S297 S298 | T262-V295 WeakPolarHBondContact O-CG2 3.3Å; C292-V295 CarbonylContact O-C 3.6Å; C292-V295 PolarHBondContact O-N 3.43Å; R293-V295 VanDerWaalsContact C-N 3.3Å; V295-S297 PolarHBondContact O-N 3.39Å; V295-S297 VanDerWaalsContact O-N 3.12Å; V295-S298 WeakPolarHBondContact CG1-OG 3.25Å; V295-S298 VanDerWaalsContact O-CB 3.22Å; V295-S298 WeakPolarHBondContact O-CB 3.38Å; V295-S298 PolarHBondContact O-N 3.29Å; V295-S298 PolarHBondContact O-OG 3.44Å |
| 296 | F | 77.7 | Confident | 85.9 | Confident | 38 Ų | 38 | 64 Ų | 64 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32 | 178.6 | 82.6 | -74.1 | 0 | 0 | 0 | 112.5 | V286 C292 R293 S298 R310 L312 N319 V321 | V286-F296 HydrophobicContact CG2-CB 4.11Å; C292-F296 PolarHBondContact O-N 3.22Å; R293-F296 WeakPolarHBondContact O-CD1 3.34Å; R293-F296 VanDerWaalsContact O-CE1 3.3Å; R293-F296 WeakPolarHBondContact O-CE1 3.32Å; F296-S298 VanDerWaalsContact C-N 3.29Å; F296-S298 PolarHBondContact O-N 3.21Å; F296-R310 PolarHBondContact O-NH2 3.43Å; F296-R310 VanDerWaalsContact O-NH2 3.09Å; F296-L312 HydrophobicContact CE2-CD2 4.09Å; F296-N319 HydrophobicContact CD2-CB 3.85Å; F296-N319 HydrophobicContact CE1-CB 4.34Å; F296-N319 HydrophobicContact CE2-CB 3.44Å; F296-N319 VanDerWaalsContact CE2-CB 3.44Å; F296-N319 HydrophobicContact CG-CB 4.49Å; F296-N319 HydrophobicContact CZ-CB 3.69Å; F296-V321 HydrophobicContact CD2-CG2 3.53Å; F296-V321 HydrophobicContact CE2-CG2 4.24Å; F296-V321 HydrophobicContact CG-CG2 4.49Å |
| 297 | S | 76.1 | Confident | 86 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.2 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 113 | V295 R310 | V295-S297 PolarHBondContact O-N 3.39Å; V295-S297 VanDerWaalsContact O-N 3.12Å; S297-R310 VanDerWaalsContact CA-NH2 3.27Å; S297-R310 VanDerWaalsContact O-CZ 3.27Å; S297-R310 PolarHBondContact O-NH1 2.99Å; S297-R310 PolarHBondContact O-NH2 2.86Å |
| 298 | S | 76.9 | Confident | 86.2 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.7 | 134.1 | 176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | V295 F296 Q300 R310 | V295-S298 WeakPolarHBondContact CG1-OG 3.25Å; V295-S298 VanDerWaalsContact O-CB 3.22Å; V295-S298 WeakPolarHBondContact O-CB 3.38Å; V295-S298 PolarHBondContact O-N 3.29Å; V295-S298 PolarHBondContact O-OG 3.44Å; F296-S298 VanDerWaalsContact C-N 3.29Å; F296-S298 PolarHBondContact O-N 3.21Å; S298-Q300 PolarHBondContact O-N 3.02Å; S298-Q300 VanDerWaalsContact O-N 3.08Å; S298-R310 PolarHBondContact O-NH2 3.01Å |
| 299 | P | 72.3 | Confident | 86.5 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | trans | -68.9 | 109.7 | 178.4 | 24.7 | -30.1 | 0 | 0 | 0 | 110 | K301 | P299-K301 PolarHBondContact O-N 3.33Š| ||
| 300 | Q | 74 | Confident | 86.7 | Confident | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | trans | -57.2 | 129 | 170 | -60 | -176.1 | -17.4 | 0 | 0 | 109.6 | D265 S298 R307 Y325 | D265-Q300 VanDerWaalsContact OD1-CG 3.25Å; D265-Q300 WeakPolarHBondContact OD1-CG 3.28Å; S298-Q300 PolarHBondContact O-N 3.02Å; S298-Q300 VanDerWaalsContact O-N 3.08Å; Q300-R307 PolarHBondContact O-NH1 2.94Å; Q300-Y325 WeakPolarHBondContact CB-OH 3.41Å; Q300-Y325 PolarHBondContact OE1-OH 3.43Å | ||
| 301 | K | 79.9 | Confident | 87 | Confident | 175 Ų | 175 | 73.6 Ų | 73.6 | 76% | 0.761 | 37% | 0.369 | S | S | * | . | trans | -114.7 | 121.2 | 171.7 | -72.2 | -176.5 | -178.6 | 178.1 | 0 | 107.7 | P299 | P299-K301 PolarHBondContact O-N 3.33Š| ||
| 302 | L | 88.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 71 Ų | 71 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | trans | -118 | 119.6 | 177.3 | -164.9 | 68.7 | 0 | 0 | 0 | 109.5 | R269 V272 F280 Y305 | R269-L302 HydrophobicContact CB-CD1 3.75Å; R269-L302 HydrophobicContact CG-CD1 3.88Å; V272-L302 HydrophobicContact CB-CD2 4.27Å; V272-L302 HydrophobicContact CG1-CD2 4.02Å; V272-L302 HydrophobicContact CG2-CD2 4.14Å; F280-L302 HydrophobicContact CE1-CD2 3.86Å; F280-L302 HydrophobicContact CE2-CD2 4.49Å; F280-L302 HydrophobicContact CZ-CD2 3.42Å; F280-L302 VanDerWaalsContact CZ-CD2 3.42Å; L302-Y305 HydrophobicContact CD2-CD2 3.66Å; L302-Y305 HydrophobicContact CD2-CE2 4.19Å; L302-Y305 HydrophobicContact CD2-CG 4.17Å; L302-Y305 HydrophobicContact CG-CD2 4.05Å; L302-Y305 PolarHBondContact O-N 3.06Å; L302-Y305 VanDerWaalsContact O-O 3.12Å | ||
| 303 | E | 90.6 | Very high | 87.7 | Confident | 186 Ų | 186 | 72 Ų | 72 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 142.2 | 177.6 | -169.3 | 173.5 | 179.8 | 0 | 0 | 110.4 | Y305 | E303-Y305 WeakPolarHBondContact O-CD2 3.47Å; E303-Y305 PolarHBondContact O-N 3.12Å |
| 304 | G | 94.4 | Very high | 88.2 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -7.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | N328 | G304-N328 WeakPolarHBondContact O-CB 3.4Å; G304-N328 PolarHBondContact O-N 3.03Å |
| 305 | Y | 96.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.5 | 179 | -66.4 | -94.8 | 0 | 0 | 0 | 112.5 | V272 P277 F280 L302 E303 A326 K327 | V272-Y305 HydrophobicContact CG1-CD2 4.2Å; V272-Y305 HydrophobicContact CG1-CE1 4.37Å; V272-Y305 HydrophobicContact CG1-CE2 3.29Å; V272-Y305 VanDerWaalsContact CG1-OH 3.22Å; V272-Y305 WeakPolarHBondContact CG1-OH 3.46Å; P277-Y305 HydrophobicContact CG-CE1 4.41Å; P277-Y305 VanDerWaalsContact O-CE1 3.29Å; P277-Y305 WeakPolarHBondContact O-CE1 3.48Å; P277-Y305 PolarHBondContact O-OH 3.31Å; F280-Y305 HydrophobicContact CD1-CD1 4.09Å; F280-Y305 AromaticContact CD1-CE1 3.97Å; F280-Y305 HydrophobicContact CD1-CE1 3.97Å; F280-Y305 AromaticContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD1 3.56Å; F280-Y305 HydrophobicContact CE1-CD2 4.33Å; F280-Y305 AromaticContact CE1-CE1 3.75Å; F280-Y305 HydrophobicContact CE1-CE1 3.75Å; F280-Y305 HydrophobicContact CE1-CE2 4.49Å; F280-Y305 AromaticContact CE1-CG 3.88Å; F280-Y305 HydrophobicContact CE1-CG 3.88Å; L302-Y305 HydrophobicContact CD2-CD2 3.66Å; L302-Y305 HydrophobicContact CD2-CE2 4.19Å; L302-Y305 HydrophobicContact CD2-CG 4.17Å; L302-Y305 HydrophobicContact CG-CD2 4.05Å; L302-Y305 PolarHBondContact O-N 3.06Å; L302-Y305 VanDerWaalsContact O-O 3.12Å; E303-Y305 WeakPolarHBondContact O-CD2 3.47Å; E303-Y305 PolarHBondContact O-N 3.12Å; Y305-A326 CarbonylContact C-O 3.57Å; Y305-A326 WeakPolarHBondContact CA-O 3.37Å; Y305-K327 HydrophobicContact CD1-CB 4.1Å; Y305-K327 HydrophobicContact CE1-CB 3.87Å; Y305-K327 HydrophobicContact CE1-CG 4.25Å |
| 306 | K | 96 | Very high | 89.2 | Confident | 132 Ų | 132 | 68.1 Ų | 68.1 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.7 | 169.1 | -179.6 | -179.8 | 178 | -178.2 | 0 | 108.8 | L308 Y325 A326 N328 | K306-L308 HydrophobicContact CD-CD2 4.26Å; K306-L308 HydrophobicContact CG-CD2 4.32Å; K306-L308 PolarHBondContact O-N 3.2Å; K306-Y325 WeakPolarHBondContact O-CA 3.32Å; K306-A326 PolarHBondContact N-O 2.68Å; K306-A326 PolarHBondContact O-N 3.42Å; K306-N328 WeakPolarHBondContact CB-OD1 3.46Å; K306-N328 PolarHBondContact N-OD1 3.24Å |
| 307 | R | 96.1 | Very high | 89.7 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.3 | 166.9 | -169.5 | 175.9 | 71.2 | -144.9 | 3.2 | 109.8 | Q300 T323 S324 Y325 | Q300-R307 PolarHBondContact O-NH1 2.94Å; R307-T323 VanDerWaalsContact CD-CG2 3.47Å; R307-T323 HydrophobicContact CG-CG2 3.59Å; R307-S324 CarbonylContact C-O 3.58Å; R307-S324 WeakPolarHBondContact CA-O 3.37Å; R307-Y325 HydrophobicContact CB-CD1 3.98Å; R307-Y325 HydrophobicContact CB-CE1 3.84Å; R307-Y325 HydrophobicContact CG-CD1 4.32Å; R307-Y325 HydrophobicContact CG-CE1 3.99Å |
| 308 | L | 96.4 | Very high | 90.5 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -47.1 | 179.6 | -60.1 | -175.3 | 0 | 0 | 0 | 111.6 | R151 K306 S324 A326 | R151-L308 PolarHBondContact NH2-O 2.93Å; K306-L308 HydrophobicContact CD-CD2 4.26Å; K306-L308 HydrophobicContact CG-CD2 4.32Å; K306-L308 PolarHBondContact O-N 3.2Å; L308-S324 PolarHBondContact N-O 3.29Å; L308-A326 HydrophobicContact CD1-CB 3.84Å; L308-A326 HydrophobicContact CD2-CB 4.3Å; L308-A326 HydrophobicContact CG-CB 4.18Å |
| 309 | D | 96.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.1 | -176.2 | -57.4 | -75 | 0 | 0 | 0 | 110.1 | R151 T323 S324 | R151-D309 WeakPolarHBondContact CD-OD2 3.39Å; R151-D309 WeakPolarHBondContact CG-OD2 3.39Å; R151-D309 IonicContact CZ-OD1 2.86Å; R151-D309 IonicContact CZ-OD2 3.76Å; R151-D309 IonicContact NE-OD1 3.8Å; R151-D309 PolarHBondContact NE-OD1 3.49Å; R151-D309 IonicContact NE-OD2 2.83Å; R151-D309 PolarHBondContact NE-OD2 3.23Å; R151-D309 IonicContact NH2-OD1 3.17Å; R151-D309 PolarHBondContact NH2-OD1 3.05Å; R151-D309 IonicContact NH2-OD2 2.68Å; R151-D309 PolarHBondContact NH2-OD2 2.91Å; D309-T323 WeakPolarHBondContact O-CA 3.5Å; D309-T323 WeakPolarHBondContact O-CG2 3.39Å; D309-S324 PolarHBondContact O-N 2.94Å |
| 310 | R | 96.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 124.5 | 170.6 | -174.9 | 170.5 | -178.6 | -104.6 | -3.1 | 109 | F296 S297 S298 L312 V321 F322 T323 | F296-R310 PolarHBondContact O-NH2 3.43Å; F296-R310 VanDerWaalsContact O-NH2 3.09Å; S297-R310 VanDerWaalsContact CA-NH2 3.27Å; S297-R310 VanDerWaalsContact O-CZ 3.27Å; S297-R310 PolarHBondContact O-NH1 2.99Å; S297-R310 PolarHBondContact O-NH2 2.86Å; S298-R310 PolarHBondContact O-NH2 3.01Å; R310-L312 HydrophobicContact CG-CD1 4.37Å; R310-V321 HydrophobicContact CG-CG1 4.29Å; R310-F322 CarbonylContact C-O 3.48Å; R310-F322 WeakPolarHBondContact CA-O 3.45Å; R310-T323 HydrophobicContact CB-CG2 4.38Å |
| 311 | Q | 96.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.9 | 179.8 | -66.3 | 179.6 | 7.1 | 0 | 0 | 108.8 | M149 G150 V321 F322 | M149-Q311 HydrophobicContact SD-CB 4.37Å; G150-Q311 VanDerWaalsContact N-CD 3.28Å; G150-Q311 PolarHBondContact O-NE2 2.71Å; G150-Q311 VanDerWaalsContact O-NE2 3.17Å; Q311-V321 WeakPolarHBondContact O-CA 3.26Å; Q311-F322 PolarHBondContact N-O 2.86Å; Q311-F322 PolarHBondContact O-N 3.36Å |
| 312 | L | 96.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 45% | 0.45 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.8 | 175.1 | -62.2 | 84.5 | 0 | 0 | 0 | 107.8 | F296 R310 F320 V321 | F296-L312 HydrophobicContact CE2-CD2 4.09Å; R310-L312 HydrophobicContact CG-CD1 4.37Å; L312-F320 VanDerWaalsContact CA-O 3.31Å; L312-F320 WeakPolarHBondContact CA-O 3.48Å; L312-V321 HydrophobicContact CD2-CG2 4.35Å; L312-V321 HydrophobicContact CG-CG1 4.45Å; L312-V321 HydrophobicContact CG-CG2 4.19Å |
| 313 | A | 95.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 164.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | M149 F315 F320 | M149-A313 HydrophobicContact CE-CB 3.4Å; A313-F315 HydrophobicContact CB-CE1 3.89Å; A313-F315 HydrophobicContact CB-CE2 4.11Å; A313-F315 HydrophobicContact CB-CZ 3.69Å; A313-F320 HydrophobicContact CB-CB 4.45Å; A313-F320 HydrophobicContact CB-CD1 4.31Å; A313-F320 PolarHBondContact N-O 3.46Å; A313-F320 PolarHBondContact O-N 3.39Å |
| 314 | Q | 94.3 | Very high | 95.3 | Very high | 132 Ų | 132 | 40.5 Ų | 40.5 | 62% | 0.617 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.9 | 171.2 | -174 | 177.4 | -5 | 0 | 0 | 107.5 | Y318 | Q314-Y318 WeakPolarHBondContact CA-O 3.48Å |
| 315 | F | 92.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 107.1 | 179.6 | -52.4 | -56.6 | 0 | 0 | 0 | 107.7 | Y147 M149 L159 F285 A313 D317 Y318 F320 | Y147-F315 AromaticContact CD1-CE1 3.75Å; Y147-F315 HydrophobicContact CD1-CE1 3.75Å; Y147-F315 HydrophobicContact CD1-CZ 4.49Å; Y147-F315 HydrophobicContact CD2-CD1 4.18Å; Y147-F315 AromaticContact CD2-CE1 3.54Å; Y147-F315 HydrophobicContact CD2-CE1 3.54Å; Y147-F315 HydrophobicContact CD2-CZ 4.1Å; Y147-F315 HydrophobicContact CE1-CD1 4.34Å; Y147-F315 AromaticContact CE1-CE1 3.79Å; Y147-F315 HydrophobicContact CE1-CE1 3.79Å; Y147-F315 AromaticContact CE2-CD1 3.8Å; Y147-F315 HydrophobicContact CE2-CD1 3.8Å; Y147-F315 AromaticContact CE2-CE1 3.58Å; Y147-F315 HydrophobicContact CE2-CE1 3.58Å; Y147-F315 AromaticContact CG-CE1 3.62Å; Y147-F315 HydrophobicContact CG-CE1 3.62Å; Y147-F315 HydrophobicContact CG-CZ 4.07Å; Y147-F315 AromaticContact CZ-CD1 3.88Å; Y147-F315 AromaticContact CZ-CE1 3.71Å; M149-F315 HydrophobicContact CE-CE1 4.05Å; M149-F315 HydrophobicContact CE-CE2 4.29Å; M149-F315 HydrophobicContact CE-CZ 3.36Å; L159-F315 HydrophobicContact CD2-CD2 3.84Å; L159-F315 HydrophobicContact CD2-CE1 4.17Å; L159-F315 HydrophobicContact CD2-CE2 3.37Å; L159-F315 HydrophobicContact CD2-CG 4.37Å; L159-F315 HydrophobicContact CD2-CZ 3.52Å; F285-F315 AromaticContact CE1-CD2 3.77Å; F285-F315 HydrophobicContact CE1-CD2 3.77Å; F285-F315 HydrophobicContact CE1-CE2 4.13Å; F285-F315 HydrophobicContact CZ-CD2 4.43Å; F285-F315 HydrophobicContact CZ-CE2 4.36Å; A313-F315 HydrophobicContact CB-CE1 3.89Å; A313-F315 HydrophobicContact CB-CE2 4.11Å; A313-F315 HydrophobicContact CB-CZ 3.69Å; F315-D317 PolarHBondContact O-N 2.97Å; F315-Y318 PolarHBondContact N-O 3.49Å; F315-Y318 PolarHBondContact O-N 3.34Å; F315-F320 HydrophobicContact CD2-CB 3.66Å; F315-F320 HydrophobicContact CD2-CG 4.2Å; F315-F320 HydrophobicContact CE2-CB 3.43Å; F315-F320 VanDerWaalsContact CE2-CB 3.43Å; F315-F320 AromaticContact CE2-CD1 3.86Å; F315-F320 HydrophobicContact CE2-CD1 3.86Å; F315-F320 HydrophobicContact CE2-CD2 4.11Å; F315-F320 AromaticContact CE2-CG 3.52Å; F315-F320 HydrophobicContact CE2-CG 3.52Å; F315-F320 HydrophobicContact CZ-CB 4.49Å; F315-F320 HydrophobicContact CZ-CD1 4.39Å; F315-F320 HydrophobicContact CZ-CG 4.47Å |
| 316 | N | 89.5 | Confident | 95.5 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -115.9 | -175.2 | -52.3 | -38.9 | 0 | 0 | 0 | 111.3 | L162 L164 | L162-N316 PolarHBondContact O-ND2 3.46Å; L164-N316 HydrophobicContact CB-CB 4.48Å; L164-N316 PolarHBondContact N-OD1 2.88Å |
| 317 | D | 87.7 | Confident | 95.5 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.6 | 179.4 | 66.3 | -44 | 0 | 0 | 0 | 114.8 | N170 N287 Q288 F315 | N170-D317 WeakPolarHBondContact CB-OD2 3.5Å; N287-D317 WeakPolarHBondContact CA-O 3.48Å; Q288-D317 PolarHBondContact N-O 3.29Å; Q288-D317 PolarHBondContact NE2-O 2.97Å; F315-D317 PolarHBondContact O-N 2.97Å |
| 318 | Y | 93.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.6 | -179.8 | -70.2 | -99.2 | 0 | 0 | 0 | 112.6 | N109 F111 D174 F285 N287 Q314 F315 | N109-Y318 WeakPolarHBondContact ND2-CE2 3.49Å; F111-Y318 HydrophobicContact CZ-CD2 4.06Å; F111-Y318 HydrophobicContact CZ-CE2 4.19Å; D174-Y318 HydrophobicContact CB-CE1 4.39Å; D174-Y318 WeakPolarHBondContact OD2-CE1 3.34Å; D174-Y318 PolarHBondContact OD2-OH 3.02Å; F285-Y318 HydrophobicContact CB-CD1 3.92Å; F285-Y318 HydrophobicContact CB-CE1 4.46Å; F285-Y318 HydrophobicContact CD1-CD1 4.12Å; F285-Y318 HydrophobicContact CD1-CG 4.22Å; N287-Y318 HydrophobicContact CB-CD1 3.86Å; N287-Y318 HydrophobicContact CB-CD2 4.45Å; N287-Y318 HydrophobicContact CB-CE1 3.75Å; N287-Y318 HydrophobicContact CB-CE2 4.28Å; N287-Y318 HydrophobicContact CB-CG 4.24Å; Q314-Y318 WeakPolarHBondContact CA-O 3.48Å; F315-Y318 PolarHBondContact N-O 3.49Å; F315-Y318 PolarHBondContact O-N 3.34Å |
| 319 | N | 94.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.7 | 156.7 | -64.2 | -73 | 0 | 0 | 0 | 109.1 | V286 F296 | V286-N319 PolarHBondContact N-O 2.92Å; V286-N319 PolarHBondContact O-N 3.47Å; F296-N319 HydrophobicContact CD2-CB 3.85Å; F296-N319 HydrophobicContact CE1-CB 4.34Å; F296-N319 HydrophobicContact CE2-CB 3.44Å; F296-N319 VanDerWaalsContact CE2-CB 3.44Å; F296-N319 HydrophobicContact CG-CB 4.49Å; F296-N319 HydrophobicContact CZ-CB 3.69Å |
| 320 | F | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.5 | -178.9 | 175.5 | -93.7 | 0 | 0 | 0 | 111.4 | M149 W157 T283 L284 F285 L312 A313 F315 F322 | M149-F320 HydrophobicContact CB-CE1 4.2Å; M149-F320 HydrophobicContact CE-CD1 4.19Å; M149-F320 HydrophobicContact CE-CE1 4.3Å; M149-F320 HydrophobicContact CG-CD1 4.38Å; M149-F320 HydrophobicContact CG-CE1 3.59Å; M149-F320 HydrophobicContact CG-CZ 4.27Å; M149-F320 HydrophobicContact SD-CD1 4.46Å; M149-F320 HydrophobicContact SD-CE1 4.14Å; W157-F320 HydrophobicContact CE3-CE2 4.3Å; W157-F320 AromaticContact CE3-CZ 3.74Å; W157-F320 HydrophobicContact CE3-CZ 3.74Å; W157-F320 AromaticContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CE2 3.87Å; W157-F320 HydrophobicContact CH2-CZ 4.15Å; W157-F320 HydrophobicContact CZ3-CE1 4.36Å; W157-F320 AromaticContact CZ3-CE2 3.66Å; W157-F320 HydrophobicContact CZ3-CE2 3.66Å; W157-F320 AromaticContact CZ3-CZ 3.49Å; W157-F320 HydrophobicContact CZ3-CZ 3.49Å; W157-F320 VanDerWaalsContact CZ3-CZ 3.49Å; T283-F320 HydrophobicContact CG2-CE2 4.29Å; T283-F320 HydrophobicContact CG2-CZ 4.04Å; L284-F320 CarbonylContact O-C 3.27Å; L284-F320 VanDerWaalsContact O-CA 3.31Å; L284-F320 WeakPolarHBondContact O-CA 3.4Å; F285-F320 AromaticContact CD1-CD2 3.99Å; F285-F320 HydrophobicContact CD1-CD2 3.99Å; F285-F320 AromaticContact CD2-CD2 3.65Å; F285-F320 HydrophobicContact CD2-CD2 3.65Å; F285-F320 AromaticContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CD2-CE2 3.89Å; F285-F320 HydrophobicContact CE1-CB 4.42Å; F285-F320 AromaticContact CE1-CD2 3.74Å; F285-F320 HydrophobicContact CE1-CD2 3.74Å; F285-F320 HydrophobicContact CE1-CE2 4.48Å; F285-F320 HydrophobicContact CE1-CG 4.42Å; F285-F320 AromaticContact CE2-CD2 3.38Å; F285-F320 HydrophobicContact CE2-CD2 3.38Å; F285-F320 AromaticContact CE2-CE2 3.38Å; F285-F320 HydrophobicContact CE2-CE2 3.38Å; F285-F320 AromaticContact CG-CD2 3.95Å; F285-F320 HydrophobicContact CG-CD2 3.95Å; F285-F320 AromaticContact CZ-CD2 3.42Å; F285-F320 HydrophobicContact CZ-CD2 3.42Å; F285-F320 VanDerWaalsContact CZ-CD2 3.42Å; F285-F320 AromaticContact CZ-CE2 3.72Å; F285-F320 HydrophobicContact CZ-CE2 3.72Å; F285-F320 HydrophobicContact CZ-CG 4.37Å; L312-F320 VanDerWaalsContact CA-O 3.31Å; L312-F320 WeakPolarHBondContact CA-O 3.48Å; A313-F320 HydrophobicContact CB-CB 4.45Å; A313-F320 HydrophobicContact CB-CD1 4.31Å; A313-F320 PolarHBondContact N-O 3.46Å; A313-F320 PolarHBondContact O-N 3.39Å; F315-F320 HydrophobicContact CD2-CB 3.66Å; F315-F320 HydrophobicContact CD2-CG 4.2Å; F315-F320 HydrophobicContact CE2-CB 3.43Å; F315-F320 VanDerWaalsContact CE2-CB 3.43Å; F315-F320 AromaticContact CE2-CD1 3.86Å; F315-F320 HydrophobicContact CE2-CD1 3.86Å; F315-F320 HydrophobicContact CE2-CD2 4.11Å; F315-F320 AromaticContact CE2-CG 3.52Å; F315-F320 HydrophobicContact CE2-CG 3.52Å; F315-F320 HydrophobicContact CZ-CB 4.49Å; F315-F320 HydrophobicContact CZ-CD1 4.39Å; F315-F320 HydrophobicContact CZ-CG 4.47Å; F320-F322 HydrophobicContact CE1-CB 3.66Å; F320-F322 HydrophobicContact CZ-CB 4.01Å |
| 321 | V | 97.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126 | 171.7 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | T283 L284 F296 R310 Q311 L312 | T283-V321 CarbonylContact C-O 3.57Å; T283-V321 WeakPolarHBondContact CA-O 3.49Å; L284-V321 PolarHBondContact N-O 3.43Å; L284-V321 PolarHBondContact O-N 3.24Å; F296-V321 HydrophobicContact CD2-CG2 3.53Å; F296-V321 HydrophobicContact CE2-CG2 4.24Å; F296-V321 HydrophobicContact CG-CG2 4.49Å; R310-V321 HydrophobicContact CG-CG1 4.29Å; Q311-V321 WeakPolarHBondContact O-CA 3.26Å; L312-V321 HydrophobicContact CD2-CG2 4.35Å; L312-V321 HydrophobicContact CG-CG1 4.45Å; L312-V321 HydrophobicContact CG-CG2 4.19Å |
| 322 | F | 97.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135 | 164.2 | 170.8 | -89.4 | 0 | 0 | 0 | 109.4 | M149 W157 V281 T282 T283 R310 Q311 F320 | M149-F322 HydrophobicContact CB-CB 3.75Å; M149-F322 HydrophobicContact CB-CD1 4.39Å; M149-F322 HydrophobicContact CB-CD2 4.13Å; M149-F322 HydrophobicContact CB-CG 3.84Å; M149-F322 HydrophobicContact CG-CB 4.47Å; W157-F322 HydrophobicContact CB-CD2 3.93Å; W157-F322 HydrophobicContact CB-CE2 3.84Å; V281-F322 HydrophobicContact CB-CE2 3.76Å; V281-F322 HydrophobicContact CB-CZ 4.09Å; V281-F322 HydrophobicContact CG1-CE2 3.89Å; V281-F322 HydrophobicContact CG1-CZ 3.74Å; V281-F322 HydrophobicContact CG2-CE2 4.19Å; T282-F322 WeakPolarHBondContact O-CA 3.25Å; T283-F322 HydrophobicContact CG2-CD2 4.26Å; R310-F322 CarbonylContact C-O 3.48Å; R310-F322 WeakPolarHBondContact CA-O 3.45Å; Q311-F322 PolarHBondContact N-O 2.86Å; Q311-F322 PolarHBondContact O-N 3.36Å; F320-F322 HydrophobicContact CE1-CB 3.66Å; F320-F322 HydrophobicContact CZ-CB 4.01Å |
| 323 | T | 97.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.4 | 172.4 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | V281 T282 R307 D309 R310 Y325 | V281-T323 CarbonylContact C-O 3.25Å; V281-T323 VanDerWaalsContact CA-O 3.22Å; V281-T323 WeakPolarHBondContact CA-O 3.38Å; T282-T323 PolarHBondContact N-O 3.12Å; T282-T323 PolarHBondContact O-N 2.65Å; R307-T323 VanDerWaalsContact CD-CG2 3.47Å; R307-T323 HydrophobicContact CG-CG2 3.59Å; D309-T323 WeakPolarHBondContact O-CA 3.5Å; D309-T323 WeakPolarHBondContact O-CG2 3.39Å; R310-T323 HydrophobicContact CB-CG2 4.38Å; T323-Y325 HydrophobicContact CG2-CD2 4.12Å; T323-Y325 HydrophobicContact CG2-CE1 4.13Å; T323-Y325 HydrophobicContact CG2-CE2 3.35Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.45Å |
| 324 | S | 98.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.1 | 176.8 | 176.3 | 0 | 0 | 0 | 0 | 111 | R307 L308 D309 | R307-S324 CarbonylContact C-O 3.58Å; R307-S324 WeakPolarHBondContact CA-O 3.37Å; L308-S324 PolarHBondContact N-O 3.29Å; D309-S324 PolarHBondContact O-N 2.94Å |
| 325 | Y | 97.8 | Very high | 80.3 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148 | -177.5 | -61.1 | -90.2 | 0 | 0 | 0 | 111.8 | K279 F280 T282 Q300 K306 R307 T323 | K279-Y325 WeakPolarHBondContact CA-O 3.42Å; K279-Y325 WeakPolarHBondContact CB-O 3.34Å; F280-Y325 AromaticContact CD2-CD2 3.93Å; F280-Y325 HydrophobicContact CD2-CD2 3.93Å; F280-Y325 VanDerWaalsContact CE1-CB 3.5Å; F280-Y325 HydrophobicContact CE1-CD2 4.13Å; F280-Y325 AromaticContact CE1-CG 3.93Å; F280-Y325 HydrophobicContact CE1-CG 3.93Å; F280-Y325 AromaticContact CE2-CD2 3.24Å; F280-Y325 HydrophobicContact CE2-CD2 3.24Å; F280-Y325 AromaticContact CE2-CE2 3.71Å; F280-Y325 HydrophobicContact CE2-CE2 3.71Å; F280-Y325 AromaticContact CE2-CG 3.89Å; F280-Y325 HydrophobicContact CE2-CG 3.89Å; F280-Y325 HydrophobicContact CZ-CD1 4.22Å; F280-Y325 AromaticContact CZ-CD2 3.33Å; F280-Y325 HydrophobicContact CZ-CD2 3.33Å; F280-Y325 AromaticContact CZ-CE2 3.95Å; F280-Y325 HydrophobicContact CZ-CE2 3.95Å; F280-Y325 AromaticContact CZ-CG 3.47Å; F280-Y325 HydrophobicContact CZ-CG 3.47Å; F280-Y325 VanDerWaalsContact CZ-CG 3.47Å; F280-Y325 PolarHBondContact N-O 3.08Å; F280-Y325 PolarHBondContact O-N 3.42Å; T282-Y325 HydrophobicContact CG2-CE2 4.32Å; Q300-Y325 WeakPolarHBondContact CB-OH 3.41Å; Q300-Y325 PolarHBondContact OE1-OH 3.43Å; K306-Y325 WeakPolarHBondContact O-CA 3.32Å; R307-Y325 HydrophobicContact CB-CD1 3.98Å; R307-Y325 HydrophobicContact CB-CE1 3.84Å; R307-Y325 HydrophobicContact CG-CD1 4.32Å; R307-Y325 HydrophobicContact CG-CE1 3.99Å; T323-Y325 HydrophobicContact CG2-CD2 4.12Å; T323-Y325 HydrophobicContact CG2-CE1 4.13Å; T323-Y325 HydrophobicContact CG2-CE2 3.35Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.45Å |
| 326 | A | 97.8 | Very high | 79.6 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | K279 Y305 K306 L308 N328 | K279-A326 HydrophobicContact CB-CB 4.48Å; Y305-A326 CarbonylContact C-O 3.57Å; Y305-A326 WeakPolarHBondContact CA-O 3.37Å; K306-A326 PolarHBondContact N-O 2.68Å; K306-A326 PolarHBondContact O-N 3.42Å; L308-A326 HydrophobicContact CD1-CB 3.84Å; L308-A326 HydrophobicContact CD2-CB 4.3Å; L308-A326 HydrophobicContact CG-CB 4.18Å; A326-N328 PolarHBondContact O-N 2.83Å |
| 327 | K | 96.8 | Very high | 79.1 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 137.5 | 178.9 | -165 | 171.6 | -174.1 | 173.7 | 0 | 109.8 | G278 Y305 R329 | G278-K327 VanDerWaalsContact O-CB 3.3Å; G278-K327 WeakPolarHBondContact O-CB 3.44Å; G278-K327 PolarHBondContact O-N 2.83Å; Y305-K327 HydrophobicContact CD1-CB 4.1Å; Y305-K327 HydrophobicContact CE1-CB 3.87Å; Y305-K327 HydrophobicContact CE1-CG 4.25Å; K327-R329 PolarHBondContact O-N 2.96Å |
| 328 | N | 93.5 | Very high | 78.6 | Confident | 83 Ų | 83 | 83.2 Ų | 83.2 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 131.4 | 175.7 | -71.3 | -25.2 | 0 | 0 | 0 | 108.9 | G304 K306 A326 Q330 | G304-N328 WeakPolarHBondContact O-CB 3.4Å; G304-N328 PolarHBondContact O-N 3.03Å; K306-N328 WeakPolarHBondContact CB-OD1 3.46Å; K306-N328 PolarHBondContact N-OD1 3.24Å; A326-N328 PolarHBondContact O-N 2.83Å; N328-Q330 PolarHBondContact O-N 2.84Å |
| 329 | R | 82.6 | Confident | 77.8 | Confident | 239 Ų | 239 | 87.9 Ų | 87.9 | 90% | 0.902 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 124.9 | 169.7 | -68 | -175.2 | 179.1 | -178.1 | -1.3 | 107.6 | K327 Q331 | K327-R329 PolarHBondContact O-N 2.96Å; R329-Q331 PolarHBondContact O-N 2.81Å; R329-Q331 VanDerWaalsContact O-N 3.09Å |
| 330 | Q | 62.7 | Low | 76.7 | Confident | 173 Ų | 173 | 92.1 Ų | 92.1 | 81% | 0.808 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 116.8 | 165.6 | -71.7 | -178.9 | -3.8 | 0 | 0 | 106.6 | N328 N332 | N328-Q330 PolarHBondContact O-N 2.84Å; Q330-N332 VanDerWaalsContact C-N 3.32Å; Q330-N332 PolarHBondContact O-N 3.36Å |
| 331 | Q | 47.8 | Very low | 75.4 | Confident | 176 Ų | 176 | 98.2 Ų | 98.2 | 82% | 0.822 | 49% | 0.486 | S | S | * | . | trans | -65.4 | 103.9 | 162.5 | -75.8 | 179.9 | -3.7 | 0 | 0 | 105 | R329 Q333 | R329-Q331 PolarHBondContact O-N 2.81Å; R329-Q331 VanDerWaalsContact O-N 3.09Å; Q331-Q333 VanDerWaalsContact C-N 3.27Å; Q331-Q333 PolarHBondContact O-N 3.43Å | ||
| 332 | N | 42.9 | Very low | 73.9 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | trans | -56.7 | 102.6 | 162.7 | -79.8 | -10.3 | 0 | 0 | 0 | 106 | Q330 Q334 | Q330-N332 VanDerWaalsContact C-N 3.32Å; Q330-N332 PolarHBondContact O-N 3.36Å; N332-Q334 PolarHBondContact O-N 3.28Å | ||
| 333 | Q | 39.9 | Very low | 72 | Confident | 168 Ų | 168 | 112.8 Ų | 112.8 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | trans | -64.8 | 88.7 | 157.2 | -73.9 | -179.7 | 0.7 | 0 | 0 | 105.3 | Q331 S335 | Q331-Q333 VanDerWaalsContact C-N 3.27Å; Q331-Q333 PolarHBondContact O-N 3.43Å; Q333-S335 PolarHBondContact O-N 3.01Å; Q333-S335 VanDerWaalsContact O-N 3.08Å | ||
| 334 | Q | 40.2 | Very low | 69.9 | Low | 186 Ų | 186 | 122.2 Ų | 122.2 | 87% | 0.869 | 60% | 0.604 | S | S | * | * | trans | -67 | 95.9 | 154.5 | -79.9 | -179.7 | -18.4 | 0 | 0 | 105.6 | N332 | N332-Q334 PolarHBondContact O-N 3.28Š| ||
| 335 | S | 38.4 | Very low | 67.3 | Low | 171 Ų | 171 | 133 Ų | 133 | 100% | 1.196 | 66% | 0.657 | S | S | * | * | trans | -95.7 | 0 | 162.7 | -49.2 | 0 | 0 | 0 | 0 | 108.5 | Q333 | Q333-S335 PolarHBondContact O-N 3.01Å; Q333-S335 VanDerWaalsContact O-N 3.08Å |
Retrieved 335 of 335 residues in 330.3 ms
(Link to these results)