| 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 | 31.6 | Very low | 39.3 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 100% | 1.177 | 71% | 0.708 | S | S | * | * | 0 | 117.1 | 0 | -149.3 | 158.3 | -173 | 0 | 0 | 105.4 | V3 | M1-V3 PolarHBondContact O-N 2.85Š| |||
| 2 | F | 31.3 | Very low | 42.7 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 89% | 0.886 | 66% | 0.659 | S | S | * | * | trans | -49.3 | 109.8 | -152 | -92 | -103.7 | 0 | 0 | 0 | 115.3 | I4 | F2-I4 HydrophobicContact CD1-CG1 4.29Š| ||
| 3 | V | 30.4 | Very low | 45.8 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 78% | 0.782 | 66% | 0.655 | S | S | * | * | trans | -96.6 | 103.8 | 158.9 | 176.7 | 0 | 0 | 0 | 0 | 105.4 | M1 L5 | M1-V3 PolarHBondContact O-N 2.85Å; V3-L5 PolarHBondContact O-N 3.05Å | ||
| 4 | I | 32.4 | Very low | 49 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | trans | -77.3 | 106.6 | 176 | -62.6 | 175.8 | 0 | 0 | 0 | 106.9 | F2 F6 | F2-I4 HydrophobicContact CD1-CG1 4.29Å; I4-F6 HydrophobicContact CG2-CD2 3.53Å; I4-F6 HydrophobicContact CG2-CE2 3.84Å; I4-F6 PolarHBondContact O-N 3.14Å | ||
| 5 | L | 28.2 | Very low | 52 | Low | 153 Ų | 153 | 114.8 Ų | 114.8 | 80% | 0.801 | 59% | 0.587 | S | S | * | * | trans | -64.5 | 95.3 | 168.6 | -119.7 | 90 | 0 | 0 | 0 | 108.7 | V3 C7 | V3-L5 PolarHBondContact O-N 3.05Å; L5-C7 PolarHBondContact O-N 3.01Å | ||
| 6 | F | 29.8 | Very low | 54.7 | Low | 184 Ų | 184 | 108.9 Ų | 108.9 | 81% | 0.807 | 56% | 0.555 | S | S | * | * | trans | -92.8 | 80 | 168.6 | -109.1 | -82 | 0 | 0 | 0 | 109.1 | I4 | I4-F6 HydrophobicContact CG2-CD2 3.53Å; I4-F6 HydrophobicContact CG2-CE2 3.84Å; I4-F6 PolarHBondContact O-N 3.14Å | ||
| 7 | C | 32 | Very low | 57 | Low | 92 Ų | 92 | 102.5 Ų | 102.5 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | trans | -120.9 | 72.7 | 166.5 | -155.2 | 0 | 0 | 0 | 0 | 107.9 | L5 | L5-C7 PolarHBondContact O-N 3.01Š| ||
| 8 | S | 39.2 | Very low | 59.1 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | trans | -74.6 | 125.3 | 166.6 | 68.7 | 0 | 0 | 0 | 0 | 107.8 | V10 | S8-V10 PolarHBondContact O-N 3.3Å; S8-V10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | K | 48.8 | Very low | 61 | Low | 175 Ų | 175 | 91.7 Ų | 91.7 | 76% | 0.761 | 47% | 0.468 | S | S | * | . | trans | -54.9 | 115.6 | 167.1 | -86.4 | -176.1 | 166.4 | -169.8 | 0 | 107.7 | V11 | K9-V11 PolarHBondContact O-N 3.22Š| ||
| 10 | V | 57.3 | Low | 62.5 | Low | 35 Ų | 35 | 87.1 Ų | 87.1 | 21% | 0.212 | 44% | 0.444 | C | S | . | . | trans | -79.2 | 121.4 | 168 | 167.7 | 0 | 0 | 0 | 0 | 106.8 | S8 I12 R79 | S8-V10 PolarHBondContact O-N 3.3Å; S8-V10 VanDerWaalsContact O-N 3.1Å; V10-I12 PolarHBondContact O-N 2.91Å; V10-R79 HydrophobicContact CG1-CB 4.49Å | ||
| 11 | V | 71.5 | Confident | 63.9 | Low | 87 Ų | 87 | 83 Ų | 83 | 53% | 0.527 | 42% | 0.423 | S | S | . | . | trans | -65.9 | 128.1 | 171.9 | -174.1 | 0 | 0 | 0 | 0 | 106.6 | K9 E13 K14 | K9-V11 PolarHBondContact O-N 3.22Å; V11-E13 HydrophobicContact CG1-CB 3.98Å; V11-E13 HydrophobicContact CG1-CG 4.06Å; V11-E13 PolarHBondContact O-N 3.05Å; V11-K14 WeakPolarHBondContact O-CB 3.14Å; V11-K14 PolarHBondContact O-N 2.86Å | ||
| 12 | I | 80.2 | Confident | 66.5 | Low | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.128 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -48.9 | -38.1 | -179.3 | -70.7 | 173.2 | 0 | 0 | 0 | 111.8 | V10 K14 L15 A206 V209 L211 | V10-I12 PolarHBondContact O-N 2.91Å; I12-K14 PolarHBondContact O-N 3.49Å; I12-L15 WeakPolarHBondContact O-CB 3.26Å; I12-L15 PolarHBondContact O-N 2.9Å; I12-A206 HydrophobicContact CG2-CB 4.4Å; I12-V209 HydrophobicContact CD1-CG2 3.53Å; I12-V209 HydrophobicContact CG1-CG2 4.3Å; I12-V209 HydrophobicContact CG2-CG2 4.12Å; I12-L211 HydrophobicContact CD1-CB 4.49Å; I12-L211 HydrophobicContact CD1-CD1 3.4Å; I12-L211 VanDerWaalsContact CD1-CD1 3.4Å; I12-L211 HydrophobicContact CD1-CD2 3.35Å; I12-L211 HydrophobicContact CD1-CG 3.12Å; I12-L211 HydrophobicContact CG1-CD1 3.97Å; I12-L211 HydrophobicContact CG1-CD2 3.83Å; I12-L211 HydrophobicContact CG1-CG 4.02Å |
| 13 | E | 82.4 | Confident | 68.8 | Low | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -53.2 | -18.1 | 177.4 | -61.6 | -56.9 | 147.8 | 0 | 0 | 113.9 | V11 R16 | V11-E13 HydrophobicContact CG1-CB 3.98Å; V11-E13 HydrophobicContact CG1-CG 4.06Å; V11-E13 PolarHBondContact O-N 3.05Å; E13-R16 PolarHBondContact O-NH1 2.85Å; E13-R16 PolarHBondContact O-NH2 3.23Å |
| 14 | K | 91.5 | Very high | 70.7 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 27% | 0.274 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -106 | 6.6 | 178.4 | -59 | -164.8 | 178.1 | 179.5 | 0 | 114.3 | V11 I12 D77 Y78 R79 | V11-K14 WeakPolarHBondContact O-CB 3.14Å; V11-K14 PolarHBondContact O-N 2.86Å; I12-K14 PolarHBondContact O-N 3.49Å; K14-D77 HydrophobicContact CD-CB 3.47Å; K14-D77 VanDerWaalsContact CD-CB 3.47Å; K14-D77 WeakPolarHBondContact CD-O 3.32Å; K14-D77 VanDerWaalsContact NZ-CG 3.26Å; K14-D77 IonicContact NZ-OD2 3.5Å; K14-D77 PolarHBondContact NZ-OD2 3.49Å; K14-Y78 VanDerWaalsContact CA-CD1 3.48Å; K14-Y78 HydrophobicContact CB-CD1 3.83Å; K14-Y78 HydrophobicContact CB-CE1 4.09Å; K14-Y78 HydrophobicContact CB-CG 4.32Å; K14-Y78 HydrophobicContact CG-CD1 4.29Å; K14-Y78 HydrophobicContact CG-CE1 4.09Å; K14-Y78 CarbonylContact O-C 3.52Å; K14-Y78 VanDerWaalsContact O-CA 3.28Å; K14-Y78 WeakPolarHBondContact O-CA 3.47Å; K14-Y78 WeakPolarHBondContact O-CD1 3.43Å; K14-R79 PolarHBondContact O-N 2.94Å |
| 15 | L | 92.9 | Very high | 72.8 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.4 | 175.2 | -158.5 | 146.1 | 0 | 0 | 0 | 109.8 | I12 N17 R79 P207 G281 D282 | I12-L15 WeakPolarHBondContact O-CB 3.26Å; I12-L15 PolarHBondContact O-N 2.9Å; L15-N17 WeakPolarHBondContact CD2-ND2 3.47Å; L15-N17 VanDerWaalsContact CD2-OD1 3.26Å; L15-N17 WeakPolarHBondContact CD2-OD1 3.46Å; L15-R79 WeakPolarHBondContact CA-O 3.49Å; L15-P207 HydrophobicContact CB-CG 4.49Å; L15-P207 HydrophobicContact CD2-CG 3.58Å; L15-P207 WeakPolarHBondContact O-CD 3.33Å; L15-G281 WeakPolarHBondContact CD2-O 3.36Å; L15-D282 VanDerWaalsContact CD1-OD1 3.24Å; L15-D282 WeakPolarHBondContact CD1-OD1 3.17Å |
| 16 | R | 95.1 | Very high | 75.6 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123.8 | 176.2 | -62.8 | -60.9 | -175.3 | -90.9 | 1.4 | 109.5 | E13 R79 I80 N81 I200 V201 V204 | E13-R16 PolarHBondContact O-NH1 2.85Å; E13-R16 PolarHBondContact O-NH2 3.23Å; R16-R79 PolarHBondContact N-O 2.79Å; R16-I80 HydrophobicContact CB-CG1 4.32Å; R16-I80 CarbonylContact O-C 3.56Å; R16-I80 WeakPolarHBondContact O-CA 3.14Å; R16-N81 PolarHBondContact O-N 2.71Å; R16-I200 HydrophobicContact CB-CG2 4.41Å; R16-V201 PolarHBondContact NE-O 2.84Å; R16-V201 PolarHBondContact NH2-O 3Å; R16-V201 VanDerWaalsContact NH2-O 3.15Å; R16-V204 HydrophobicContact CB-CG1 4.18Å; R16-V204 WeakPolarHBondContact CD-O 3.47Å; R16-V204 HydrophobicContact CG-CG1 4.47Å; R16-V204 PolarHBondContact NE-O 2.91Å |
| 17 | N | 94.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.2 | 173.8 | -58.9 | -47.4 | 0 | 0 | 0 | 108.6 | L15 N81 V102 D103 S104 P207 G281 I283 | L15-N17 WeakPolarHBondContact CD2-ND2 3.47Å; L15-N17 VanDerWaalsContact CD2-OD1 3.26Å; L15-N17 WeakPolarHBondContact CD2-OD1 3.46Å; N17-N81 WeakPolarHBondContact OD1-CB 3.38Å; N17-N81 PolarHBondContact OD1-ND2 3.02Å; N17-V102 HydrophobicContact CB-CB 4.42Å; N17-V102 HydrophobicContact CB-CG1 4.46Å; N17-D103 PolarHBondContact ND2-OD2 3.23Å; N17-D103 PolarHBondContact O-N 2.93Å; N17-S104 PolarHBondContact O-N 3.41Å; N17-P207 WeakPolarHBondContact ND2-CG 3.35Å; N17-G281 PolarHBondContact ND2-O 3.3Å; N17-I283 HydrophobicContact CB-CD1 4.33Å |
| 18 | I | 95.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.2 | -177.4 | -171.2 | 164.2 | 0 | 0 | 0 | 110.4 | I80 N81 I82 V83 S104 L106 I134 I200 V204 | I18-I80 HydrophobicContact CG2-CG2 4.32Å; I18-N81 PolarHBondContact N-O 3.16Å; I18-I82 HydrophobicContact CG2-CB 4.47Å; I18-I82 HydrophobicContact CG2-CG1 3.94Å; I18-I82 CarbonylContact O-C 3.49Å; I18-I82 WeakPolarHBondContact O-CA 3.39Å; I18-V83 PolarHBondContact O-N 3.02Å; I18-S104 WeakPolarHBondContact CA-O 3.3Å; I18-L106 HydrophobicContact CD1-CB 3.65Å; I18-L106 HydrophobicContact CD1-CD1 4.18Å; I18-L106 HydrophobicContact CD1-CG 4.45Å; I18-L106 HydrophobicContact CG1-CB 4.04Å; I18-I134 HydrophobicContact CD1-CD1 4.27Å; I18-I200 HydrophobicContact CD1-CG1 4.46Å; I18-V204 HydrophobicContact CD1-CG2 3.88Å |
| 19 | A | 93.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V83 T85 V98 M99 V102 S104 V105 L106 | A19-V83 CarbonylContact C-O 3.54Å; A19-V83 VanDerWaalsContact CA-O 3.27Å; A19-V83 WeakPolarHBondContact CA-O 3.33Å; A19-T85 HydrophobicContact CB-CG2 3.84Å; A19-V98 HydrophobicContact CB-CG1 3.77Å; A19-M99 HydrophobicContact CB-CE 4.4Å; A19-M99 HydrophobicContact CB-SD 4.35Å; A19-V102 HydrophobicContact CB-CB 4.35Å; A19-V102 HydrophobicContact CB-CG1 4.06Å; A19-V102 HydrophobicContact CB-CG2 3.8Å; A19-S104 PolarHBondContact N-O 2.77Å; A19-S104 VanDerWaalsContact N-O 3.07Å; A19-V105 HydrophobicContact CB-CG2 4.4Å; A19-V105 CarbonylContact O-C 3.42Å; A19-V105 WeakPolarHBondContact O-CA 3.32Å; A19-L106 PolarHBondContact O-N 2.83Å |
| 20 | I | 92.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.3 | 173.6 | -172.4 | 168.7 | 0 | 0 | 0 | 110.5 | K28 L31 V32 I82 V83 D84 T85 L106 V108 | I20-K28 HydrophobicContact CD1-CD 4.35Å; I20-K28 HydrophobicContact CD1-CG 3.53Å; I20-K28 HydrophobicContact CG1-CD 4.1Å; I20-K28 HydrophobicContact CG1-CG 3.78Å; I20-K28 HydrophobicContact CG2-CD 4.04Å; I20-K28 HydrophobicContact CG2-CG 4.25Å; I20-L31 HydrophobicContact CD1-CD2 4.38Å; I20-V32 HydrophobicContact CD1-CG2 3.61Å; I20-I82 HydrophobicContact CB-CG2 3.89Å; I20-I82 HydrophobicContact CG2-CG2 3.66Å; I20-V83 PolarHBondContact N-O 2.83Å; I20-D84 HydrophobicContact CG2-CB 4.31Å; I20-T85 PolarHBondContact O-N 2.98Å; I20-T85 PolarHBondContact O-OG1 3.49Å; I20-L106 HydrophobicContact CB-CB 4.47Å; I20-L106 HydrophobicContact CD1-CD2 4.15Å; I20-L106 HydrophobicContact CG1-CB 4.39Å; I20-L106 HydrophobicContact CG1-CD2 4.33Å; I20-V108 HydrophobicContact CD1-CG2 3.92Å; I20-V108 HydrophobicContact CG1-CG2 3.91Å |
| 21 | I | 90.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.3 | 177.3 | -56.3 | -177.6 | 0 | 0 | 0 | 108.2 | M99 V105 L106 L107 V108 T119 V122 A126 | I21-M99 HydrophobicContact CD1-CE 4.07Å; I21-M99 HydrophobicContact CG1-CE 4.5Å; I21-V105 HydrophobicContact CB-CG2 4.41Å; I21-V105 HydrophobicContact CD1-CG2 3.23Å; I21-V105 HydrophobicContact CG1-CG2 3.44Å; I21-V105 VanDerWaalsContact CG1-CG2 3.44Å; I21-L106 PolarHBondContact N-O 3.35Å; I21-L107 HydrophobicContact CB-CD1 4.04Å; I21-L107 HydrophobicContact CG2-CD1 3.81Å; I21-V108 PolarHBondContact O-N 3.16Å; I21-T119 HydrophobicContact CG2-CG2 3.82Å; I21-V122 HydrophobicContact CB-CG1 4.45Å; I21-V122 HydrophobicContact CD1-CB 3.93Å; I21-V122 HydrophobicContact CD1-CG1 3.44Å; I21-V122 VanDerWaalsContact CD1-CG1 3.44Å; I21-V122 HydrophobicContact CG1-CB 4.37Å; I21-V122 HydrophobicContact CG1-CG1 3.63Å; I21-V122 HydrophobicContact CG2-CB 3.96Å; I21-V122 HydrophobicContact CG2-CG1 4.05Å; I21-A126 HydrophobicContact CD1-CB 4.46Å |
| 22 | A | 86 | Confident | 86.7 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 158.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H26 K28 V108 | A22-H26 HydrophobicContact CB-CB 4.4Å; A22-K28 HydrophobicContact CB-CB 3.61Å; A22-K28 HydrophobicContact CB-CD 3.83Å; A22-K28 HydrophobicContact CB-CG 3.92Å; A22-V108 HydrophobicContact CB-CB 3.82Å; A22-V108 HydrophobicContact CB-CG2 4.42Å |
| 23 | H | 80.2 | Confident | 86.9 | Confident | 24 Ų | 24 | 24 Ų | 24 | 11% | 0.111 | 13% | 0.126 | C | C | . | . | trans | -75.1 | 154.1 | 161.9 | -176.8 | -101.8 | 0 | 0 | 0 | 110.4 | D25 H26 M116 Q118 T119 | H23-D25 PolarHBondContact ND1-N 2.77Å; H23-D25 PolarHBondContact O-N 3.03Å; H23-D25 VanDerWaalsContact O-N 3.11Å; H23-H26 HydrophobicContact CB-CB 4.4Å; H23-H26 AromaticContact ND1-CD2 3.91Å; H23-H26 AromaticContact ND1-NE2 3.99Å; H23-H26 PolarHBondContact O-N 2.9Å; H23-M116 HydrophobicContact CB-CB 4.01Å; H23-M116 HydrophobicContact CB-CG 4.05Å; H23-Q118 PolarHBondContact CD2-NE2 3.36Å; H23-Q118 PolarHBondContact CD2-OE1 3.39Å; H23-Q118 PolarHBondContact NE2-NE2 2.64Å; H23-T119 HydrophobicContact CB-CG2 4.4Å | ||
| 24 | V | 71.5 | Confident | 87.2 | Confident | 60 Ų | 60 | 20.3 Ų | 20.3 | 36% | 0.364 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -37.9 | -52.5 | 177.5 | 174 | 0 | 0 | 0 | 0 | 112.4 | G63 I64 | V24-G63 WeakPolarHBondContact CB-O 3.48Å; V24-G63 WeakPolarHBondContact CG1-O 3.33Å; V24-G63 VanDerWaalsContact CG2-C 3.42Å; V24-G63 WeakPolarHBondContact CG2-O 3.31Å; V24-I64 HydrophobicContact CG2-CG2 4.15Å |
| 25 | D | 76.5 | Confident | 87.2 | Confident | 99 Ų | 99 | 17.3 Ų | 17.3 | 53% | 0.529 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | -93.7 | 0.9 | -171.1 | -67.7 | -44.9 | 0 | 0 | 0 | 113.8 | H23 G27 K139 | H23-D25 PolarHBondContact ND1-N 2.77Å; H23-D25 PolarHBondContact O-N 3.03Å; H23-D25 VanDerWaalsContact O-N 3.11Å; D25-G27 PolarHBondContact O-N 2.92Å; D25-K139 WeakPolarHBondContact O-CE 3.35Å; D25-K139 PolarHBondContact O-NZ 3.35Å |
| 26 | H | 87.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -79.3 | 0.5 | -178.7 | -68.4 | -171.6 | 0 | 0 | 0 | 113.2 | A22 H23 V108 D110 G114 M116 N138 | A22-H26 HydrophobicContact CB-CB 4.4Å; H23-H26 HydrophobicContact CB-CB 4.4Å; H23-H26 AromaticContact ND1-CD2 3.91Å; H23-H26 AromaticContact ND1-NE2 3.99Å; H23-H26 PolarHBondContact O-N 2.9Å; H26-V108 HydrophobicContact CB-CG1 4.38Å; H26-V108 PolarHBondContact ND1-O 3.46Å; H26-V108 VanDerWaalsContact ND1-O 3.14Å; H26-D110 HydrophobicContact CB-CB 4.4Å; H26-D110 VanDerWaalsContact CD2-CB 3.41Å; H26-D110 WeakPolarHBondContact CD2-CB 3.42Å; H26-D110 PolarHBondContact ND1-N 2.88Å; H26-G114 PolarHBondContact CE1-O 3.43Å; H26-M116 WeakPolarHBondContact NE2-CG 3.35Å; H26-N138 PolarHBondContact O-ND2 2.88Å |
| 27 | G | 82 | Confident | 86.4 | Confident | 12 Ų | 12 | 20.4 Ų | 20.4 | 12% | 0.124 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 29.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D25 T29 T30 L31 | D25-G27 PolarHBondContact O-N 2.92Å; G27-T29 PolarHBondContact O-N 2.9Å; G27-T30 PolarHBondContact O-N 2.8Å; G27-L31 WeakPolarHBondContact O-CB 3.22Å; G27-L31 PolarHBondContact O-N 3Å |
| 28 | K | 85.5 | Confident | 86 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 6% | 0.057 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.8 | -52.1 | 175.9 | -169.9 | 177.3 | 63.1 | -179.6 | 0 | 113.1 | I20 A22 L31 V32 M53 T65 D84 T85 | I20-K28 HydrophobicContact CD1-CD 4.35Å; I20-K28 HydrophobicContact CD1-CG 3.53Å; I20-K28 HydrophobicContact CG1-CD 4.1Å; I20-K28 HydrophobicContact CG1-CG 3.78Å; I20-K28 HydrophobicContact CG2-CD 4.04Å; I20-K28 HydrophobicContact CG2-CG 4.25Å; A22-K28 HydrophobicContact CB-CB 3.61Å; A22-K28 HydrophobicContact CB-CD 3.83Å; A22-K28 HydrophobicContact CB-CG 3.92Å; K28-L31 WeakPolarHBondContact O-CB 3.18Å; K28-L31 PolarHBondContact O-N 2.81Å; K28-V32 PolarHBondContact O-N 2.89Å; K28-M53 HydrophobicContact CG-CE 4.32Å; K28-T65 PolarHBondContact NZ-OG1 3.4Å; K28-D84 WeakPolarHBondContact CD-OD1 3.4Å; K28-D84 WeakPolarHBondContact CE-OD1 3.24Å; K28-D84 WeakPolarHBondContact CE-OD2 3.44Å; K28-D84 IonicContact NZ-OD1 3.31Å; K28-D84 PolarHBondContact NZ-OD1 2.89Å; K28-D84 IonicContact NZ-OD2 2.76Å; K28-D84 PolarHBondContact NZ-OD2 3.05Å; K28-D84 VanDerWaalsContact NZ-OD2 3.09Å; K28-T85 PolarHBondContact NZ-O 3.36Å |
| 29 | T | 78.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 23.8 Ų | 23.8 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | -177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | G27 L31 V32 D33 R51 M53 D54 | G27-T29 PolarHBondContact O-N 2.9Å; T29-L31 VanDerWaalsContact C-N 3.3Å; T29-L31 PolarHBondContact O-N 3.29Å; T29-V32 PolarHBondContact O-N 2.89Å; T29-D33 WeakPolarHBondContact O-CB 3.48Å; T29-D33 VanDerWaalsContact O-CG 3.32Å; T29-D33 PolarHBondContact O-N 2.71Å; T29-R51 HydrophobicContact CG2-CB 4.02Å; T29-R51 HydrophobicContact CG2-CG 4.48Å; T29-M53 HydrophobicContact CG2-CB 4.04Å; T29-D54 WeakPolarHBondContact CB-OD2 3.3Å; T29-D54 VanDerWaalsContact OG1-CG 3.22Å; T29-D54 PolarHBondContact OG1-OD1 2.64Å; T29-D54 PolarHBondContact OG1-OD2 2.96Å |
| 30 | T | 85.2 | Confident | 84.2 | Confident | 51 Ų | 51 | 27.1 Ų | 27.1 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 175.4 | -44.9 | 0 | 0 | 0 | 0 | 112.1 | G27 K34 A177 | G27-T30 PolarHBondContact O-N 2.8Å; T30-K34 WeakPolarHBondContact O-CG 3Å; T30-K34 PolarHBondContact O-N 2.77Å; T30-A177 HydrophobicContact CG2-CB 3.81Å |
| 31 | L | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -49.8 | 179.6 | -174.5 | 70 | 0 | 0 | 0 | 111.5 | I20 G27 K28 T29 D33 K34 L35 L106 V108 V136 A175 A177 M193 L196 | I20-L31 HydrophobicContact CD1-CD2 4.38Å; G27-L31 WeakPolarHBondContact O-CB 3.22Å; G27-L31 PolarHBondContact O-N 3Å; K28-L31 WeakPolarHBondContact O-CB 3.18Å; K28-L31 PolarHBondContact O-N 2.81Å; T29-L31 VanDerWaalsContact C-N 3.3Å; T29-L31 PolarHBondContact O-N 3.29Å; L31-D33 VanDerWaalsContact C-N 3.35Å; L31-D33 PolarHBondContact O-N 3.22Å; L31-K34 PolarHBondContact O-N 2.96Å; L31-L35 WeakPolarHBondContact O-CG 3.21Å; L31-L35 PolarHBondContact O-N 2.87Å; L31-L106 HydrophobicContact CD2-CD2 4.4Å; L31-V108 HydrophobicContact CD2-CG1 4.3Å; L31-V108 HydrophobicContact CD2-CG2 3.68Å; L31-V136 HydrophobicContact CD2-CG1 4.12Å; L31-A175 HydrophobicContact CD1-CB 4.34Å; L31-A177 HydrophobicContact CB-CB 4.29Å; L31-A177 HydrophobicContact CD1-CB 4.29Å; L31-M193 HydrophobicContact CD1-CE 3.41Å; L31-M193 VanDerWaalsContact CD1-CE 3.41Å; L31-L196 HydrophobicContact CD1-CD2 4.07Å; L31-L196 HydrophobicContact CD2-CD2 4.36Å; L31-L196 HydrophobicContact CG-CD2 4.44Å |
| 32 | V | 88.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -37.5 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | I20 K28 T29 K34 L35 L36 M53 T71 I82 | I20-V32 HydrophobicContact CD1-CG2 3.61Å; K28-V32 PolarHBondContact O-N 2.89Å; T29-V32 PolarHBondContact O-N 2.89Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.94Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-L36 WeakPolarHBondContact O-CB 3.23Å; V32-L36 PolarHBondContact O-N 3.07Å; V32-M53 HydrophobicContact CB-CE 3.46Å; V32-M53 VanDerWaalsContact CB-CE 3.46Å; V32-M53 HydrophobicContact CB-SD 3.79Å; V32-M53 HydrophobicContact CG1-CE 4.02Å; V32-M53 HydrophobicContact CG1-SD 3.61Å; V32-M53 HydrophobicContact CG2-CE 3.43Å; V32-M53 VanDerWaalsContact CG2-CE 3.43Å; V32-M53 HydrophobicContact CG2-SD 3.98Å; V32-T71 HydrophobicContact CG1-CG2 3.89Å; V32-I82 HydrophobicContact CG2-CG2 4.19Å |
| 33 | D | 84.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 173.8 | -77.9 | -8.2 | 0 | 0 | 0 | 111.3 | T29 L31 L36 Q37 R51 | T29-D33 WeakPolarHBondContact O-CB 3.48Å; T29-D33 VanDerWaalsContact O-CG 3.32Å; T29-D33 PolarHBondContact O-N 2.71Å; L31-D33 VanDerWaalsContact C-N 3.35Å; L31-D33 PolarHBondContact O-N 3.22Å; D33-L36 PolarHBondContact O-N 2.66Å; D33-Q37 WeakPolarHBondContact O-CB 3.44Å; D33-Q37 VanDerWaalsContact O-CG 3.22Å; D33-Q37 WeakPolarHBondContact O-CG 3.25Å; D33-Q37 PolarHBondContact O-N 2.86Å; D33-R51 WeakPolarHBondContact OD2-CA 3.39Å; D33-R51 PolarHBondContact OD2-N 3.44Å |
| 34 | K | 89.1 | Confident | 79 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.8 | -75.3 | -61.5 | -175.9 | 179.6 | 0 | 112.7 | T30 L31 V32 Q37 Q38 A177 M193 | T30-K34 WeakPolarHBondContact O-CG 3Å; T30-K34 PolarHBondContact O-N 2.77Å; L31-K34 PolarHBondContact O-N 2.96Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.94Å; K34-Q37 PolarHBondContact O-N 3.19Å; K34-Q38 WeakPolarHBondContact O-CB 3.35Å; K34-Q38 WeakPolarHBondContact O-CG 3.32Å; K34-Q38 PolarHBondContact O-N 3.06Å; K34-Q38 VanDerWaalsContact O-N 3.08Å; K34-A177 WeakPolarHBondContact CE-O 3.41Å; K34-A177 WeakPolarHBondContact CG-O 3.35Å; K34-M193 HydrophobicContact CB-CG 4.48Å |
| 35 | L | 90.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -55.8 | 172.5 | -69.6 | 172.1 | 0 | 0 | 0 | 109.2 | L31 V32 Q37 Q38 S39 I73 I82 M193 L196 Y197 | L31-L35 WeakPolarHBondContact O-CG 3.21Å; L31-L35 PolarHBondContact O-N 2.87Å; V32-L35 PolarHBondContact O-N 3.23Å; L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 3.25Å; L35-Q38 CarbonylContact O-C 3.59Å; L35-Q38 PolarHBondContact O-N 3.41Å; L35-S39 VanDerWaalsContact O-CB 3.24Å; L35-S39 WeakPolarHBondContact O-CB 3.32Å; L35-S39 PolarHBondContact O-N 3.41Å; L35-I73 HydrophobicContact CB-CD1 3.82Å; L35-I82 HydrophobicContact CD1-CD1 3.86Å; L35-M193 HydrophobicContact CD2-CB 3.85Å; L35-M193 HydrophobicContact CD2-CE 4.12Å; L35-M193 HydrophobicContact CD2-CG 4.29Å; L35-L196 HydrophobicContact CD1-CD2 4.17Å; L35-L196 HydrophobicContact CD2-CD2 4.11Å; L35-L196 HydrophobicContact CD2-CG 4.47Å; L35-Y197 WeakPolarHBondContact CA-OH 3.22Å; L35-Y197 HydrophobicContact CB-CE1 4.5Å; L35-Y197 WeakPolarHBondContact CB-OH 3.32Å; L35-Y197 HydrophobicContact CD2-CD1 4.35Å; L35-Y197 HydrophobicContact CD2-CD2 4.3Å; L35-Y197 HydrophobicContact CD2-CE1 3.78Å; L35-Y197 HydrophobicContact CD2-CE2 3.75Å; L35-Y197 VanDerWaalsContact CD2-CZ 3.46Å; L35-Y197 PolarHBondContact O-OH 2.99Å |
| 36 | L | 86.7 | Confident | 76.3 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.5 | -42.3 | -178.1 | -171.5 | 62 | 0 | 0 | 0 | 112.7 | V32 D33 Q38 S39 T41 F42 T71 I73 L270 | V32-L36 WeakPolarHBondContact O-CB 3.23Å; V32-L36 PolarHBondContact O-N 3.07Å; D33-L36 PolarHBondContact O-N 2.66Å; L36-Q38 PolarHBondContact O-N 2.67Å; L36-S39 WeakPolarHBondContact CA-OG 3.47Å; L36-S39 PolarHBondContact O-N 2.83Å; L36-S39 PolarHBondContact O-OG 2.87Å; L36-T41 HydrophobicContact CD1-CG2 4.08Å; L36-F42 HydrophobicContact CD1-CD2 4.47Å; L36-F42 HydrophobicContact CD1-CE2 4Å; L36-F42 HydrophobicContact CD2-CD2 4.44Å; L36-F42 HydrophobicContact CD2-CE2 3.4Å; L36-F42 VanDerWaalsContact CD2-CE2 3.4Å; L36-F42 HydrophobicContact CD2-CZ 3.92Å; L36-F42 HydrophobicContact CG-CD2 4.04Å; L36-F42 HydrophobicContact CG-CE2 3.45Å; L36-F42 VanDerWaalsContact CG-CE2 3.45Å; L36-F42 HydrophobicContact CG-CZ 4.32Å; L36-T71 HydrophobicContact CD1-CG2 4.23Å; L36-T71 HydrophobicContact CD2-CG2 4.26Å; L36-I73 HydrophobicContact CD1-CG1 4.16Å; L36-L270 HydrophobicContact CD2-CD1 4.06Å; L36-L270 HydrophobicContact CD2-CG 4.1Å |
| 37 | Q | 85.3 | Confident | 74.2 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.2 | -74.1 | 175.2 | 10.1 | 0 | 0 | 113.5 | D33 K34 L35 S39 T48 | D33-Q37 WeakPolarHBondContact O-CB 3.44Å; D33-Q37 VanDerWaalsContact O-CG 3.22Å; D33-Q37 WeakPolarHBondContact O-CG 3.25Å; D33-Q37 PolarHBondContact O-N 2.86Å; K34-Q37 PolarHBondContact O-N 3.19Å; L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 3.25Å; Q37-S39 VanDerWaalsContact C-N 3.33Å; Q37-T48 HydrophobicContact CG-CG2 3.78Å |
| 38 | Q | 86.9 | Confident | 72.6 | Confident | 68 Ų | 68 | 62 Ų | 62 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -88.5 | 1 | -179.4 | -65.5 | -176.8 | 9.9 | 0 | 0 | 113.5 | K34 L35 L36 G180 M193 | K34-Q38 WeakPolarHBondContact O-CB 3.35Å; K34-Q38 WeakPolarHBondContact O-CG 3.32Å; K34-Q38 PolarHBondContact O-N 3.06Å; K34-Q38 VanDerWaalsContact O-N 3.08Å; L35-Q38 CarbonylContact O-C 3.59Å; L35-Q38 PolarHBondContact O-N 3.41Å; L36-Q38 PolarHBondContact O-N 2.67Å; Q38-G180 PolarHBondContact NE2-O 3.44Å; Q38-M193 VanDerWaalsContact OE1-CG 3.27Å |
| 39 | S | 74.7 | Confident | 70.6 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10 | -168.4 | 70 | 0 | 0 | 0 | 0 | 116.5 | L35 L36 Q37 T41 K74 Y197 | L35-S39 VanDerWaalsContact O-CB 3.24Å; L35-S39 WeakPolarHBondContact O-CB 3.32Å; L35-S39 PolarHBondContact O-N 3.41Å; L36-S39 WeakPolarHBondContact CA-OG 3.47Å; L36-S39 PolarHBondContact O-N 2.83Å; L36-S39 PolarHBondContact O-OG 2.87Å; Q37-S39 VanDerWaalsContact C-N 3.33Å; S39-T41 PolarHBondContact O-N 3.13Å; S39-T41 PolarHBondContact O-OG1 2.94Å; S39-T41 WeakPolarHBondContact OG-CB 3.26Å; S39-T41 PolarHBondContact OG-OG1 3.09Å; S39-K74 CarbonylContact O-C 3.58Å; S39-K74 VanDerWaalsContact O-C 3.23Å; S39-Y197 WeakPolarHBondContact CB-OH 3.09Å |
| 40 | G | 76 | Confident | 69.1 | Low | 71 Ų | 71 | 75.8 Ų | 75.8 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 41 | T | 72.4 | Confident | 67.5 | Low | 19 Ų | 19 | 81.3 Ų | 81.3 | 12% | 0.117 | 41% | 0.414 | C | S | . | . | trans | -71.3 | -32.4 | -176.1 | -55.6 | 0 | 0 | 0 | 0 | 112 | L36 S39 K74 L268 | L36-T41 HydrophobicContact CD1-CG2 4.08Å; S39-T41 PolarHBondContact O-N 3.13Å; S39-T41 PolarHBondContact O-OG1 2.94Å; S39-T41 WeakPolarHBondContact OG-CB 3.26Å; S39-T41 PolarHBondContact OG-OG1 3.09Å; T41-K74 PolarHBondContact OG1-N 3.1Å; T41-L268 HydrophobicContact CG2-CD1 3.93Å; T41-L268 HydrophobicContact CG2-CG 4.29Å | ||
| 42 | F | 65.8 | Low | 65.6 | Low | 88 Ų | 88 | 83.2 Ų | 83.2 | 39% | 0.386 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -98.9 | 132.5 | 175.2 | -69.8 | -63.3 | 0 | 0 | 0 | 111.1 | L36 A46 | L36-F42 HydrophobicContact CD1-CD2 4.47Å; L36-F42 HydrophobicContact CD1-CE2 4Å; L36-F42 HydrophobicContact CD2-CD2 4.44Å; L36-F42 HydrophobicContact CD2-CE2 3.4Å; L36-F42 VanDerWaalsContact CD2-CE2 3.4Å; L36-F42 HydrophobicContact CD2-CZ 3.92Å; L36-F42 HydrophobicContact CG-CD2 4.04Å; L36-F42 HydrophobicContact CG-CE2 3.45Å; L36-F42 VanDerWaalsContact CG-CE2 3.45Å; L36-F42 HydrophobicContact CG-CZ 4.32Å; F42-A46 HydrophobicContact CB-CB 4.19Å; F42-A46 HydrophobicContact CD1-CB 3.77Å; F42-A46 HydrophobicContact CE1-CB 4.45Å; F42-A46 HydrophobicContact CG-CB 4.16Å |
| 43 | D | 54.4 | Low | 64 | Low | 146 Ų | 146 | 83.2 Ų | 83.2 | 78% | 0.781 | 43% | 0.426 | S | S | * | . | trans | -58.9 | 137.9 | 158.3 | -95.7 | -35.2 | 0 | 0 | 0 | 108.3 | R45 A46 | D43-R45 PolarHBondContact O-N 3.47Å; D43-A46 PolarHBondContact O-N 3.18Å | ||
| 44 | S | 47.3 | Very low | 62.6 | Low | 127 Ų | 127 | 84.3 Ų | 84.3 | 89% | 0.888 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 3 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 117.9 | ||
| 45 | R | 42.3 | Very low | 60.8 | Low | 234 Ų | 234 | 85.3 Ų | 85.3 | 88% | 0.883 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -3 | -179.5 | -70.3 | -177.7 | 174.3 | 174.1 | -1.1 | 115.1 | D43 E47 | D43-R45 PolarHBondContact O-N 3.47Å; R45-E47 PolarHBondContact O-N 3.19Å |
| 46 | A | 48.4 | Very low | 59.5 | Low | 46 Ų | 46 | 88.1 Ų | 88.1 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -75.4 | 122.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F42 D43 T48 | F42-A46 HydrophobicContact CB-CB 4.19Å; F42-A46 HydrophobicContact CD1-CB 3.77Å; F42-A46 HydrophobicContact CE1-CB 4.45Å; F42-A46 HydrophobicContact CG-CB 4.16Å; D43-A46 PolarHBondContact O-N 3.18Å; A46-T48 PolarHBondContact O-N 2.87Å |
| 47 | E | 43 | Very low | 58.5 | Low | 188 Ų | 188 | 92.5 Ų | 92.5 | 88% | 0.879 | 48% | 0.484 | S | S | * | . | trans | -59.8 | 107.2 | 172.6 | -77.6 | -178.3 | 163.7 | 0 | 0 | 109.3 | R45 Q49 | R45-E47 PolarHBondContact O-N 3.19Å; E47-Q49 PolarHBondContact O-N 3.09Å | ||
| 48 | T | 48.2 | Very low | 57.6 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | -69.3 | 99.4 | 173 | 22.4 | 0 | 0 | 0 | 0 | 109.1 | Q37 A46 E50 | Q37-T48 HydrophobicContact CG-CG2 3.78Å; A46-T48 PolarHBondContact O-N 2.87Å; T48-E50 PolarHBondContact O-N 3.41Å | ||
| 49 | Q | 44.3 | Very low | 56.6 | Low | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 45% | 0.452 | S | S | * | . | trans | -66.8 | 128.7 | 163.1 | -69.8 | -174.4 | 1.9 | 0 | 0 | 108.5 | E47 V52 | E47-Q49 PolarHBondContact O-N 3.09Å; Q49-V52 HydrophobicContact CB-CG2 3.93Å; Q49-V52 WeakPolarHBondContact O-CG2 3.42Å | ||
| 50 | E | 47.3 | Very low | 56.1 | Low | 171 Ų | 171 | 91.3 Ų | 91.3 | 80% | 0.799 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -73.5 | 132.6 | 169.7 | -71.1 | -175.9 | 158 | 0 | 0 | 109.4 | T48 | T48-E50 PolarHBondContact O-N 3.41Š|
| 51 | R | 50.9 | Low | 55.5 | Low | 167 Ų | 167 | 93.8 Ų | 93.8 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | trans | 70.2 | 61.4 | 176.4 | -51.5 | 179.8 | -173 | 177.2 | 1.2 | 115.4 | T29 D33 | T29-R51 HydrophobicContact CG2-CB 4.02Å; T29-R51 HydrophobicContact CG2-CG 4.48Å; D33-R51 WeakPolarHBondContact OD2-CA 3.39Å; D33-R51 PolarHBondContact OD2-N 3.44Å | ||
| 52 | V | 52 | Low | 55.1 | Low | 40 Ų | 40 | 95.4 Ų | 95.4 | 24% | 0.242 | 47% | 0.473 | C | S | . | . | trans | -85.4 | -24.2 | -173.5 | -156.3 | 0 | 0 | 0 | 0 | 113.5 | Q49 L270 | Q49-V52 HydrophobicContact CB-CG2 3.93Å; Q49-V52 WeakPolarHBondContact O-CG2 3.42Å; V52-L270 HydrophobicContact CB-CD1 3.39Å; V52-L270 HydrophobicContact CG1-CD1 3.36Å; V52-L270 HydrophobicContact CG2-CD1 3.95Å | ||
| 53 | M | 53.3 | Low | 54.4 | Low | 2 Ų | 2 | 92.2 Ų | 92.2 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -38.9 | -179.3 | -62.7 | -158.4 | -57.4 | 0 | 0 | 113 | K28 T29 V32 S55 K69 L270 | K28-M53 HydrophobicContact CG-CE 4.32Å; T29-M53 HydrophobicContact CG2-CB 4.04Å; V32-M53 HydrophobicContact CB-CE 3.46Å; V32-M53 VanDerWaalsContact CB-CE 3.46Å; V32-M53 HydrophobicContact CB-SD 3.79Å; V32-M53 HydrophobicContact CG1-CE 4.02Å; V32-M53 HydrophobicContact CG1-SD 3.61Å; V32-M53 HydrophobicContact CG2-CE 3.43Å; V32-M53 VanDerWaalsContact CG2-CE 3.43Å; V32-M53 HydrophobicContact CG2-SD 3.98Å; M53-S55 PolarHBondContact O-N 3.31Å; M53-S55 VanDerWaalsContact O-N 3.08Å; M53-K69 PolarHBondContact O-NZ 3.42Å; M53-L270 HydrophobicContact CG-CD2 4.41Å |
| 54 | D | 55.2 | Low | 54.7 | Low | 35 Ų | 35 | 86.3 Ų | 86.3 | 19% | 0.187 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 48.2 | 176.7 | -61.2 | -38.3 | 0 | 0 | 0 | 111.5 | T29 N56 K60 | T29-D54 WeakPolarHBondContact CB-OD2 3.3Å; T29-D54 VanDerWaalsContact OG1-CG 3.22Å; T29-D54 PolarHBondContact OG1-OD1 2.64Å; T29-D54 PolarHBondContact OG1-OD2 2.96Å; D54-N56 VanDerWaalsContact C-N 3.26Å; D54-N56 PolarHBondContact O-N 2.86Å; D54-K60 HydrophobicContact CB-CG 4.28Å; D54-K60 WeakPolarHBondContact O-CE 3.36Å; D54-K60 VanDerWaalsContact O-CG 3.3Å; D54-K60 WeakPolarHBondContact O-CG 3.48Å |
| 55 | S | 51.7 | Low | 55.2 | Low | 73 Ų | 73 | 80.6 Ų | 80.6 | 51% | 0.51 | 39% | 0.392 | S | S | . | . | trans | -70.2 | -19.9 | -174.6 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | M53 K69 | M53-S55 PolarHBondContact O-N 3.31Å; M53-S55 VanDerWaalsContact O-N 3.08Å; S55-K69 PolarHBondContact OG-NZ 2.98Å | ||
| 56 | N | 64.7 | Low | 55.8 | Low | 59 Ų | 59 | 70.1 Ų | 70.1 | 32% | 0.316 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -84.4 | 129.8 | -176.2 | -170.1 | -6.6 | 0 | 0 | 0 | 110.7 | D54 L58 E59 K60 | D54-N56 VanDerWaalsContact C-N 3.26Å; D54-N56 PolarHBondContact O-N 2.86Å; N56-L58 PolarHBondContact O-N 2.83Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 PolarHBondContact OD1-N 3.25Å; N56-E59 HydrophobicContact CB-CB 4.24Å; N56-E59 HydrophobicContact CB-CG 3.89Å; N56-E59 WeakPolarHBondContact CB-OE2 3.23Å; N56-E59 WeakPolarHBondContact O-CB 3.4Å; N56-E59 PolarHBondContact O-N 3.3Å; N56-K60 PolarHBondContact O-N 2.87Å; N56-K60 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 63.7 | Low | 56.6 | Low | 98 Ų | 98 | 72.4 Ų | 72.4 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.5 | -34.2 | -179.7 | -68.6 | -28.2 | 0 | 0 | 0 | 112 | K60 E61 | D57-K60 PolarHBondContact O-N 2.77Å; D57-E61 WeakPolarHBondContact O-CB 3.35Å; D57-E61 VanDerWaalsContact O-CG 3.23Å; D57-E61 WeakPolarHBondContact O-CG 3.49Å; D57-E61 PolarHBondContact O-N 3.02Å |
| 58 | L | 67.6 | Low | 57.7 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.6 | -38 | 176 | -71.4 | -178.5 | 0 | 0 | 0 | 114.2 | N56 K60 E61 R62 I66 V378 E381 N382 R385 | N56-L58 PolarHBondContact O-N 2.83Å; N56-L58 VanDerWaalsContact O-N 3.14Å; N56-L58 PolarHBondContact OD1-N 3.25Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-E61 PolarHBondContact O-N 3.09Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 WeakPolarHBondContact O-CG 3.37Å; L58-R62 PolarHBondContact O-N 3.3Å; L58-I66 HydrophobicContact CB-CD1 4.07Å; L58-V378 HydrophobicContact CD1-CG1 4.27Å; L58-E381 HydrophobicContact CD1-CG 4.35Å; L58-E381 HydrophobicContact CD2-CB 4.35Å; L58-E381 HydrophobicContact CD2-CG 3.35Å; L58-E381 HydrophobicContact CG-CG 4.47Å; L58-N382 WeakPolarHBondContact CD1-OD1 3.15Å; L58-R385 VanDerWaalsContact CD2-NH2 3.34Å |
| 59 | E | 65.5 | Low | 59 | Low | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.023 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.5 | -65.7 | 180 | 146.8 | 0 | 0 | 109.4 | N56 G63 I64 I66 L67 K69 | N56-E59 HydrophobicContact CB-CB 4.24Å; N56-E59 HydrophobicContact CB-CG 3.89Å; N56-E59 WeakPolarHBondContact CB-OE2 3.23Å; N56-E59 WeakPolarHBondContact O-CB 3.4Å; N56-E59 PolarHBondContact O-N 3.3Å; E59-G63 CarbonylContact O-C 3.58Å; E59-G63 VanDerWaalsContact O-C 3.3Å; E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 2.81Å; E59-I64 WeakPolarHBondContact CA-O 3.27Å; E59-I64 WeakPolarHBondContact CB-O 3.37Å; E59-I64 VanDerWaalsContact CG-O 3.31Å; E59-I64 WeakPolarHBondContact CG-O 3.13Å; E59-I64 PolarHBondContact O-N 3.38Å; E59-I66 HydrophobicContact CG-CB 4.18Å; E59-I66 HydrophobicContact CG-CD1 4.04Å; E59-I66 HydrophobicContact CG-CG1 4.01Å; E59-I66 PolarHBondContact OE1-N 2.85Å; E59-L67 PolarHBondContact OE1-N 3.4Å; E59-K69 IonicContact OE2-NZ 3.13Å |
| 60 | K | 63.6 | Low | 60.9 | Low | 123 Ų | 123 | 56.9 Ų | 56.9 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 174.7 | -65 | -174.4 | -172.3 | 178.9 | 0 | 113.3 | D54 N56 D57 L58 | D54-K60 HydrophobicContact CB-CG 4.28Å; D54-K60 WeakPolarHBondContact O-CE 3.36Å; D54-K60 VanDerWaalsContact O-CG 3.3Å; D54-K60 WeakPolarHBondContact O-CG 3.48Å; N56-K60 PolarHBondContact O-N 2.87Å; N56-K60 VanDerWaalsContact O-N 3.09Å; D57-K60 PolarHBondContact O-N 2.77Å; L58-K60 VanDerWaalsContact C-N 3.3Å |
| 61 | E | 63.9 | Low | 62.7 | Low | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.1 | -36.9 | -176.6 | -77 | 171.8 | -141 | 0 | 0 | 112.9 | D57 L58 R385 | D57-E61 WeakPolarHBondContact O-CB 3.35Å; D57-E61 VanDerWaalsContact O-CG 3.23Å; D57-E61 WeakPolarHBondContact O-CG 3.49Å; D57-E61 PolarHBondContact O-N 3.02Å; L58-E61 PolarHBondContact O-N 3.09Å; E61-R385 IonicContact OE1-CZ 2.9Å; E61-R385 VanDerWaalsContact OE1-CZ 3.28Å; E61-R385 IonicContact OE1-NH1 2.76Å; E61-R385 PolarHBondContact OE1-NH1 2.86Å; E61-R385 IonicContact OE1-NH2 3.43Å; E61-R385 PolarHBondContact OE1-NH2 3.25Å; E61-R385 IonicContact OE2-CZ 2.64Å; E61-R385 IonicContact OE2-NH1 3.64Å; E61-R385 IonicContact OE2-NH2 2.79Å; E61-R385 PolarHBondContact OE2-NH2 2.66Å |
| 62 | R | 63.2 | Low | 64.5 | Low | 54 Ų | 54 | 41 Ų | 41 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -92.5 | -14.2 | 179.2 | -62.1 | -178.7 | 179.3 | -146.2 | -3.9 | 112.7 | L58 I64 S377 E576 | L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 WeakPolarHBondContact O-CG 3.37Å; L58-R62 PolarHBondContact O-N 3.3Å; R62-I64 HydrophobicContact CB-CD1 4.22Å; R62-I64 HydrophobicContact CB-CG1 3.95Å; R62-I64 PolarHBondContact O-N 3.12Å; R62-S377 PolarHBondContact NH1-OG 2.87Å; R62-S377 PolarHBondContact NH2-O 3.47Å; R62-S377 PolarHBondContact NH2-OG 3.02Å; R62-E576 IonicContact CZ-OE1 3.05Å; R62-E576 IonicContact NH1-OE1 3.93Å; R62-E576 IonicContact NH2-OE1 2.7Å; R62-E576 PolarHBondContact NH2-OE1 3.46Å |
| 63 | G | 52.3 | Low | 66.3 | Low | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | trans | 76.1 | -3.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V24 E59 | V24-G63 WeakPolarHBondContact CB-O 3.48Å; V24-G63 WeakPolarHBondContact CG1-O 3.33Å; V24-G63 VanDerWaalsContact CG2-C 3.42Å; V24-G63 WeakPolarHBondContact CG2-O 3.31Å; E59-G63 CarbonylContact O-C 3.58Å; E59-G63 VanDerWaalsContact O-C 3.3Å; E59-G63 WeakPolarHBondContact O-CA 3.39Å; E59-G63 PolarHBondContact O-N 2.81Å | ||
| 64 | I | 61.2 | Low | 68 | Low | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | trans | -102.5 | 145.7 | -172.6 | 64.5 | -175.7 | 0 | 0 | 0 | 111.3 | V24 E59 R62 I66 F91 L374 | V24-I64 HydrophobicContact CG2-CG2 4.15Å; E59-I64 WeakPolarHBondContact CA-O 3.27Å; E59-I64 WeakPolarHBondContact CB-O 3.37Å; E59-I64 VanDerWaalsContact CG-O 3.31Å; E59-I64 WeakPolarHBondContact CG-O 3.13Å; E59-I64 PolarHBondContact O-N 3.38Å; R62-I64 HydrophobicContact CB-CD1 4.22Å; R62-I64 HydrophobicContact CB-CG1 3.95Å; R62-I64 PolarHBondContact O-N 3.12Å; I64-I66 HydrophobicContact CD1-CG1 4.27Å; I64-I66 HydrophobicContact CG1-CG1 3.99Å; I64-F91 HydrophobicContact CD1-CE2 4.14Å; I64-L374 HydrophobicContact CD1-CD2 3.69Å; I64-L374 HydrophobicContact CD1-CG 4.42Å | ||
| 65 | T | 56.2 | Low | 69.6 | Low | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | trans | -77.1 | 127.4 | 163.6 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | K28 L67 D84 P86 | K28-T65 PolarHBondContact NZ-OG1 3.4Å; T65-L67 WeakPolarHBondContact CG2-O 3.43Å; T65-D84 VanDerWaalsContact CG2-OD2 3.23Å; T65-D84 WeakPolarHBondContact CG2-OD2 3.45Å; T65-D84 PolarHBondContact OG1-OD2 2.92Å; T65-P86 WeakPolarHBondContact O-CA 3.49Å; T65-P86 WeakPolarHBondContact O-CB 3.45Å | ||
| 66 | I | 56 | Low | 71.4 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | trans | -101.6 | -43 | -177.1 | -64.5 | 170 | 0 | 0 | 0 | 109.8 | L58 E59 I64 F91 V378 | L58-I66 HydrophobicContact CB-CD1 4.07Å; E59-I66 HydrophobicContact CG-CB 4.18Å; E59-I66 HydrophobicContact CG-CD1 4.04Å; E59-I66 HydrophobicContact CG-CG1 4.01Å; E59-I66 PolarHBondContact OE1-N 2.85Å; I64-I66 HydrophobicContact CD1-CG1 4.27Å; I64-I66 HydrophobicContact CG1-CG1 3.99Å; I66-F91 HydrophobicContact CG1-CE2 4.47Å; I66-F91 HydrophobicContact CG1-CZ 4.32Å; I66-F91 HydrophobicContact CG2-CE1 3.81Å; I66-F91 HydrophobicContact CG2-CZ 3.9Å; I66-V378 HydrophobicContact CD1-CG1 4.03Å; I66-V378 HydrophobicContact CD1-CG2 3.98Å; I66-V378 HydrophobicContact CG2-CG1 4.37Å | ||
| 67 | L | 64.3 | Low | 72.6 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 49% | 0.492 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -116.3 | 135.5 | 178.9 | -66.6 | 175 | 0 | 0 | 0 | 110.5 | E59 T65 | E59-L67 PolarHBondContact OE1-N 3.4Å; T65-L67 WeakPolarHBondContact CG2-O 3.43Å |
| 68 | A | 66 | Low | 73.9 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | trans | -71.8 | 131.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V83 D84 E94 V98 | A68-V83 HydrophobicContact CB-CG1 4.44Å; A68-D84 VanDerWaalsContact CA-O 3.26Å; A68-D84 WeakPolarHBondContact CA-O 3.3Å; A68-D84 WeakPolarHBondContact CB-O 3.5Å; A68-E94 HydrophobicContact CB-CG 4.29Å; A68-E94 WeakPolarHBondContact CB-OE1 3.34Å; A68-V98 HydrophobicContact CB-CG2 3.48Å; A68-V98 VanDerWaalsContact CB-CG2 3.48Å | ||
| 69 | K | 75.8 | Confident | 75 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | trans | -117 | 143.8 | 176.4 | -66.5 | 177.4 | -172.6 | 163.4 | 0 | 109.2 | M53 S55 E59 D84 | M53-K69 PolarHBondContact O-NZ 3.42Å; S55-K69 PolarHBondContact OG-NZ 2.98Å; E59-K69 IonicContact OE2-NZ 3.13Å; K69-D84 PolarHBondContact O-N 2.84Å | ||
| 70 | N | 83.8 | Confident | 76.4 | Confident | 16 Ų | 16 | 49 Ų | 49 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.9 | 176.1 | -176.5 | 42.4 | 0 | 0 | 0 | 110.4 | H267 | N70-H267 WeakPolarHBondContact ND2-CB 3.43Å; N70-H267 PolarHBondContact ND2-ND1 3.12Å |
| 71 | T | 86.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.7 | 172.8 | -55 | 0 | 0 | 0 | 0 | 109.4 | V32 L36 I73 I82 G269 L270 | V32-T71 HydrophobicContact CG1-CG2 3.89Å; L36-T71 HydrophobicContact CD1-CG2 4.23Å; L36-T71 HydrophobicContact CD2-CG2 4.26Å; T71-I73 HydrophobicContact CG2-CD1 4.42Å; T71-I73 HydrophobicContact CG2-CG1 4.07Å; T71-I82 PolarHBondContact N-O 2.77Å; T71-I82 PolarHBondContact O-N 2.93Å; T71-G269 WeakPolarHBondContact CA-O 2.74Å; T71-L270 HydrophobicContact CG2-CD2 4.1Å; T71-L270 WeakPolarHBondContact OG1-CD2 3.3Å |
| 72 | A | 88 | Confident | 79.1 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N81 H267 G269 | A72-N81 WeakPolarHBondContact CB-OD1 3.25Å; A72-H267 HydrophobicContact CB-CB 3.87Å; A72-H267 VanDerWaalsContact CB-O 3.27Å; A72-H267 WeakPolarHBondContact CB-O 3.49Å; A72-G269 PolarHBondContact N-O 3.27Å; A72-G269 VanDerWaalsContact O-CA 3.31Å; A72-G269 WeakPolarHBondContact O-CA 3.45Å; A72-G269 PolarHBondContact O-N 3.21Å |
| 73 | I | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.9 | -172.1 | -64.7 | -171.3 | 0 | 0 | 0 | 109.7 | L35 L36 T71 R79 I80 I82 Y197 | L35-I73 HydrophobicContact CB-CD1 3.82Å; L36-I73 HydrophobicContact CD1-CG1 4.16Å; T71-I73 HydrophobicContact CG2-CD1 4.42Å; T71-I73 HydrophobicContact CG2-CG1 4.07Å; I73-R79 WeakPolarHBondContact O-CA 3.42Å; I73-I80 HydrophobicContact CB-CB 4.26Å; I73-I80 WeakPolarHBondContact CB-O 3.41Å; I73-I80 PolarHBondContact N-O 2.77Å; I73-I80 PolarHBondContact O-N 2.87Å; I73-I82 HydrophobicContact CD1-CD1 3.57Å; I73-I82 HydrophobicContact CD1-CG1 4.25Å; I73-Y197 HydrophobicContact CG2-CE1 3.96Å |
| 74 | K | 88.8 | Confident | 82 | Confident | 103 Ų | 103 | 34.3 Ų | 34.3 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | trans | -108.9 | 73.1 | 178.9 | -74.1 | -174.7 | 175.6 | 173.4 | 0 | 113 | S39 T41 Y78 L268 | S39-K74 CarbonylContact O-C 3.58Å; S39-K74 VanDerWaalsContact O-C 3.23Å; T41-K74 PolarHBondContact OG1-N 3.1Å; K74-Y78 CarbonylContact C-O 3.5Å; K74-Y78 WeakPolarHBondContact CA-O 3.4Å; K74-L268 HydrophobicContact CD-CD1 3.99Å; K74-L268 HydrophobicContact CG-CD1 4.35Å | ||
| 75 | W | 90.2 | Very high | 82.8 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | trans | -86.3 | 119.3 | 178.3 | -175 | 77.9 | 0 | 0 | 0 | 111.6 | D77 Y78 I80 T194 Y197 V201 | W75-D77 PolarHBondContact O-N 2.68Å; W75-Y78 HydrophobicContact CE3-CD2 4.41Å; W75-Y78 PolarHBondContact N-O 2.74Å; W75-Y78 WeakPolarHBondContact O-CA 3.3Å; W75-Y78 WeakPolarHBondContact O-CB 3.4Å; W75-Y78 PolarHBondContact O-N 3.5Å; W75-I80 HydrophobicContact CB-CD1 4.3Å; W75-T194 HydrophobicContact CZ2-CG2 4.16Å; W75-Y197 HydrophobicContact CB-CD1 3.8Å; W75-Y197 HydrophobicContact CB-CE1 3.83Å; W75-Y197 HydrophobicContact CB-CG 4.36Å; W75-Y197 AromaticContact CD1-CD1 3.92Å; W75-Y197 AromaticContact CD1-CD2 3.55Å; W75-Y197 AromaticContact CD1-CE2 3.67Å; W75-Y197 AromaticContact CD1-CG 3.66Å; W75-Y197 AromaticContact CD1-CZ 3.9Å; W75-Y197 AromaticContact CD2-CD1 3.95Å; W75-Y197 HydrophobicContact CD2-CD1 3.95Å; W75-Y197 HydrophobicContact CD2-CD2 4.27Å; W75-Y197 AromaticContact CD2-CG 3.69Å; W75-Y197 HydrophobicContact CD2-CG 3.69Å; W75-Y197 VanDerWaalsContact CE2-CB 3.49Å; W75-Y197 AromaticContact CE2-CD2 3.9Å; W75-Y197 AromaticContact CE2-CG 3.69Å; W75-Y197 HydrophobicContact CE3-CG 4.36Å; W75-Y197 AromaticContact CG-CD1 3.62Å; W75-Y197 HydrophobicContact CG-CD1 3.62Å; W75-Y197 HydrophobicContact CG-CD2 4.05Å; W75-Y197 AromaticContact CG-CE1 3.94Å; W75-Y197 HydrophobicContact CG-CE1 3.94Å; W75-Y197 HydrophobicContact CG-CE2 4.33Å; W75-Y197 AromaticContact CG-CG 3.67Å; W75-Y197 HydrophobicContact CG-CG 3.67Å; W75-Y197 HydrophobicContact CZ2-CG 4.34Å; W75-Y197 AromaticContact NE1-CD2 3.44Å; W75-Y197 AromaticContact NE1-CE2 3.95Å; W75-Y197 AromaticContact NE1-CG 3.68Å; W75-V201 HydrophobicContact CE3-CG2 4.17Å; W75-V201 HydrophobicContact CZ3-CG2 3.94Å | ||
| 76 | N | 89.6 | Confident | 83.7 | Confident | 119 Ų | 119 | 32.9 Ų | 32.9 | 64% | 0.636 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -124.7 | -171.1 | -62.1 | -38.4 | 0 | 0 | 0 | 111.1 | ||
| 77 | D | 89 | Confident | 84 | Confident | 112 Ų | 112 | 32.9 Ų | 32.9 | 60% | 0.599 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.4 | 173.7 | -63.7 | -47 | 0 | 0 | 0 | 113.2 | K14 W75 | K14-D77 HydrophobicContact CD-CB 3.47Å; K14-D77 VanDerWaalsContact CD-CB 3.47Å; K14-D77 WeakPolarHBondContact CD-O 3.32Å; K14-D77 VanDerWaalsContact NZ-CG 3.26Å; K14-D77 IonicContact NZ-OD2 3.5Å; K14-D77 PolarHBondContact NZ-OD2 3.49Å; W75-D77 PolarHBondContact O-N 2.68Å |
| 78 | Y | 92.2 | Very high | 84.1 | Confident | 62 Ų | 62 | 30 Ų | 30 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | trans | -87.8 | 144.5 | -177.4 | -69.8 | -92.3 | 0 | 0 | 0 | 111.6 | K14 K74 W75 V201 | K14-Y78 VanDerWaalsContact CA-CD1 3.48Å; K14-Y78 HydrophobicContact CB-CD1 3.83Å; K14-Y78 HydrophobicContact CB-CE1 4.09Å; K14-Y78 HydrophobicContact CB-CG 4.32Å; K14-Y78 HydrophobicContact CG-CD1 4.29Å; K14-Y78 HydrophobicContact CG-CE1 4.09Å; K14-Y78 CarbonylContact O-C 3.52Å; K14-Y78 VanDerWaalsContact O-CA 3.28Å; K14-Y78 WeakPolarHBondContact O-CA 3.47Å; K14-Y78 WeakPolarHBondContact O-CD1 3.43Å; K74-Y78 CarbonylContact C-O 3.5Å; K74-Y78 WeakPolarHBondContact CA-O 3.4Å; W75-Y78 HydrophobicContact CE3-CD2 4.41Å; W75-Y78 PolarHBondContact N-O 2.74Å; W75-Y78 WeakPolarHBondContact O-CA 3.3Å; W75-Y78 WeakPolarHBondContact O-CB 3.4Å; W75-Y78 PolarHBondContact O-N 3.5Å; Y78-V201 HydrophobicContact CD1-CG1 4.24Å; Y78-V201 HydrophobicContact CD1-CG2 3.91Å; Y78-V201 HydrophobicContact CD2-CG1 4.45Å; Y78-V201 HydrophobicContact CD2-CG2 3.99Å; Y78-V201 HydrophobicContact CE1-CG1 3.62Å; Y78-V201 HydrophobicContact CE1-CG2 4.16Å; Y78-V201 HydrophobicContact CE2-CG1 3.83Å; Y78-V201 HydrophobicContact CE2-CG2 4.2Å; Y78-V201 HydrophobicContact CG-CG2 3.84Å; Y78-V201 WeakPolarHBondContact OH-CG1 3.47Å | ||
| 79 | R | 90.7 | Very high | 84 | Confident | 58 Ų | 58 | 30.3 Ų | 30.3 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110 | 170.6 | -167.5 | -170.6 | -57.2 | 177.8 | -4.6 | 108.1 | V10 K14 L15 R16 I73 D282 | V10-R79 HydrophobicContact CG1-CB 4.49Å; K14-R79 PolarHBondContact O-N 2.94Å; L15-R79 WeakPolarHBondContact CA-O 3.49Å; R16-R79 PolarHBondContact N-O 2.79Å; I73-R79 WeakPolarHBondContact O-CA 3.42Å; R79-D282 IonicContact CZ-OD1 3.94Å; R79-D282 IonicContact NH1-OD1 3.84Å; R79-D282 PolarHBondContact NH1-OD1 2.77Å; R79-D282 IonicContact NH1-OD2 2.68Å; R79-D282 PolarHBondContact NH1-OD2 2.83Å |
| 80 | I | 93 | Very high | 83.7 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.3 | -178.1 | -55.5 | 171.9 | 0 | 0 | 0 | 107.8 | R16 I18 I73 W75 I82 Y197 I200 | R16-I80 HydrophobicContact CB-CG1 4.32Å; R16-I80 CarbonylContact O-C 3.56Å; R16-I80 WeakPolarHBondContact O-CA 3.14Å; I18-I80 HydrophobicContact CG2-CG2 4.32Å; I73-I80 HydrophobicContact CB-CB 4.26Å; I73-I80 WeakPolarHBondContact CB-O 3.41Å; I73-I80 PolarHBondContact N-O 2.77Å; I73-I80 PolarHBondContact O-N 2.87Å; W75-I80 HydrophobicContact CB-CD1 4.3Å; I80-I82 HydrophobicContact CG2-CG1 4.03Å; I80-Y197 HydrophobicContact CD1-CD1 3.8Å; I80-Y197 HydrophobicContact CD1-CE1 4.23Å; I80-I200 HydrophobicContact CD1-CG2 4.14Å; I80-I200 HydrophobicContact CG1-CG2 4.47Å; I80-I200 HydrophobicContact CG2-CG2 4.1Å |
| 81 | N | 92.9 | Very high | 83.1 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.3 | 172.3 | -64.8 | -45.8 | 0 | 0 | 0 | 108.6 | R16 N17 I18 A72 I283 | R16-N81 PolarHBondContact O-N 2.71Å; N17-N81 WeakPolarHBondContact OD1-CB 3.38Å; N17-N81 PolarHBondContact OD1-ND2 3.02Å; I18-N81 PolarHBondContact N-O 3.16Å; A72-N81 WeakPolarHBondContact CB-OD1 3.25Å; N81-I283 HydrophobicContact CB-CD1 4.11Å |
| 82 | I | 92.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.2 | 175 | -54.9 | -175.9 | 0 | 0 | 0 | 107.9 | I18 I20 V32 L35 T71 I73 I80 | I18-I82 HydrophobicContact CG2-CB 4.47Å; I18-I82 HydrophobicContact CG2-CG1 3.94Å; I18-I82 CarbonylContact O-C 3.49Å; I18-I82 WeakPolarHBondContact O-CA 3.39Å; I20-I82 HydrophobicContact CB-CG2 3.89Å; I20-I82 HydrophobicContact CG2-CG2 3.66Å; V32-I82 HydrophobicContact CG2-CG2 4.19Å; L35-I82 HydrophobicContact CD1-CD1 3.86Å; T71-I82 PolarHBondContact N-O 2.77Å; T71-I82 PolarHBondContact O-N 2.93Å; I73-I82 HydrophobicContact CD1-CD1 3.57Å; I73-I82 HydrophobicContact CD1-CG1 4.25Å; I80-I82 HydrophobicContact CG2-CG1 4.03Å |
| 83 | V | 90.2 | Very high | 81.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.7 | 177.6 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | I18 A19 I20 A68 V98 V102 I283 | I18-V83 PolarHBondContact O-N 3.02Å; A19-V83 CarbonylContact C-O 3.54Å; A19-V83 VanDerWaalsContact CA-O 3.27Å; A19-V83 WeakPolarHBondContact CA-O 3.33Å; I20-V83 PolarHBondContact N-O 2.83Å; A68-V83 HydrophobicContact CB-CG1 4.44Å; V83-V98 HydrophobicContact CB-CG1 3.85Å; V83-V98 HydrophobicContact CG1-CB 4.25Å; V83-V98 HydrophobicContact CG1-CG1 3.5Å; V83-V98 VanDerWaalsContact CG1-CG1 3.5Å; V83-V98 HydrophobicContact CG1-CG2 3.83Å; V83-V102 HydrophobicContact CB-CG1 4.11Å; V83-V102 HydrophobicContact CG2-CG1 3.79Å; V83-I283 HydrophobicContact CG2-CD1 3.82Å |
| 84 | D | 85.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.1 | 178.4 | -162.2 | 8.7 | 0 | 0 | 0 | 111.7 | I20 K28 T65 A68 K69 | I20-D84 HydrophobicContact CG2-CB 4.31Å; K28-D84 WeakPolarHBondContact CD-OD1 3.4Å; K28-D84 WeakPolarHBondContact CE-OD1 3.24Å; K28-D84 WeakPolarHBondContact CE-OD2 3.44Å; K28-D84 IonicContact NZ-OD1 3.31Å; K28-D84 PolarHBondContact NZ-OD1 2.89Å; K28-D84 IonicContact NZ-OD2 2.76Å; K28-D84 PolarHBondContact NZ-OD2 3.05Å; K28-D84 VanDerWaalsContact NZ-OD2 3.09Å; T65-D84 VanDerWaalsContact CG2-OD2 3.23Å; T65-D84 WeakPolarHBondContact CG2-OD2 3.45Å; T65-D84 PolarHBondContact OG1-OD2 2.92Å; A68-D84 VanDerWaalsContact CA-O 3.26Å; A68-D84 WeakPolarHBondContact CA-O 3.3Å; A68-D84 WeakPolarHBondContact CB-O 3.5Å; K69-D84 PolarHBondContact O-N 2.84Å |
| 85 | T | 79.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | trans | -110.1 | 140.1 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | A19 I20 K28 G87 V98 M99 V122 | A19-T85 HydrophobicContact CB-CG2 3.84Å; I20-T85 PolarHBondContact O-N 2.98Å; I20-T85 PolarHBondContact O-OG1 3.49Å; K28-T85 PolarHBondContact NZ-O 3.36Å; T85-G87 PolarHBondContact O-N 3.24Å; T85-V98 HydrophobicContact CG2-CB 4.07Å; T85-V98 HydrophobicContact CG2-CG1 3.54Å; T85-V98 HydrophobicContact CG2-CG2 4.49Å; T85-M99 HydrophobicContact CG2-CE 3.98Å; T85-V122 HydrophobicContact CG2-CG1 4.38Å | ||
| 86 | P | 73.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -61.5 | 132.3 | 165.7 | -25.2 | 36.6 | 0 | 0 | 0 | 111.2 | T65 F91 E94 V95 V122 | T65-P86 WeakPolarHBondContact O-CA 3.49Å; T65-P86 WeakPolarHBondContact O-CB 3.45Å; P86-F91 HydrophobicContact CB-CB 3.55Å; P86-F91 HydrophobicContact CB-CD2 4.38Å; P86-F91 HydrophobicContact CB-CG 4.2Å; P86-F91 HydrophobicContact CG-CB 4.06Å; P86-E94 HydrophobicContact CG-CB 3.98Å; P86-E94 HydrophobicContact CG-CG 3.63Å; P86-V95 HydrophobicContact CB-CG2 4.44Å; P86-V95 WeakPolarHBondContact O-CG2 3.47Å; P86-V122 WeakPolarHBondContact O-CG2 3.23Å | ||
| 87 | G | 62.3 | Low | 79.9 | Confident | 13 Ų | 13 | 19 Ų | 19 | 13% | 0.134 | 10% | 0.096 | C | C | . | . | trans | -84.3 | -12.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T85 Q118 | T85-G87 PolarHBondContact O-N 3.24Å; G87-Q118 CarbonylContact O-C 3.56Å; G87-Q118 VanDerWaalsContact O-O 3.07Å | ||
| 88 | H | 67.1 | Low | 79.9 | Confident | 34 Ų | 34 | 13.7 Ų | 13.7 | 16% | 0.157 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -102.6 | 139.3 | -171.8 | -163.2 | -77.6 | 0 | 0 | 0 | 112.1 | D90 F91 L374 | H88-D90 VanDerWaalsContact C-N 3.26Å; H88-D90 IonicContact CE1-OD1 2.82Å; H88-D90 PolarHBondContact CE1-OD1 2.88Å; H88-D90 WeakPolarHBondContact ND1-CB 3.19Å; H88-D90 PolarHBondContact ND1-N 3.15Å; H88-D90 IonicContact ND1-OD1 3.38Å; H88-D90 PolarHBondContact O-N 2.96Å; H88-F91 HydrophobicContact CB-CD2 4.1Å; H88-F91 HydrophobicContact CB-CE2 4.5Å; H88-F91 PolarHBondContact O-N 3.2Å; H88-L374 HydrophobicContact CB-CD2 4.36Å |
| 89 | A | 63.8 | Low | 79.8 | Confident | 20 Ų | 20 | 10.8 Ų | 10.8 | 17% | 0.165 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -58.1 | -33.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F91 G92 F121 | A89-F91 PolarHBondContact O-N 2.76Å; A89-G92 PolarHBondContact O-N 3.37Å; A89-F121 HydrophobicContact CB-CD1 4.41Å; A89-F121 HydrophobicContact CB-CG 4.32Å |
| 90 | D | 69.1 | Low | 79.7 | Confident | 19 Ų | 19 | 8.9 Ų | 8.9 | 10% | 0.102 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -53.9 | -19.7 | 172.8 | -77.4 | 33.7 | 0 | 0 | 0 | 114.7 | H88 R371 G372 L374 H375 | H88-D90 VanDerWaalsContact C-N 3.26Å; H88-D90 IonicContact CE1-OD1 2.82Å; H88-D90 PolarHBondContact CE1-OD1 2.88Å; H88-D90 WeakPolarHBondContact ND1-CB 3.19Å; H88-D90 PolarHBondContact ND1-N 3.15Å; H88-D90 IonicContact ND1-OD1 3.38Å; H88-D90 PolarHBondContact O-N 2.96Å; D90-R371 HydrophobicContact CB-CB 4.32Å; D90-R371 WeakPolarHBondContact O-CB 3.36Å; D90-R371 WeakPolarHBondContact O-CG 3.48Å; D90-G372 VanDerWaalsContact OD2-C 3.3Å; D90-G372 VanDerWaalsContact OD2-CA 3.27Å; D90-G372 WeakPolarHBondContact OD2-CA 3.45Å; D90-L374 VanDerWaalsContact OD2-CB 3.29Å; D90-L374 WeakPolarHBondContact OD2-CB 3.45Å; D90-L374 PolarHBondContact OD2-N 2.84Å; D90-L374 VanDerWaalsContact OD2-N 3.13Å; D90-H375 HydrophobicContact CB-CB 4.19Å; D90-H375 PolarHBondContact OD2-N 2.73Å; D90-H375 VanDerWaalsContact OD2-N 3.11Å |
| 91 | F | 71.2 | Confident | 79.6 | Confident | 22 Ų | 22 | 8.9 Ų | 8.9 | 10% | 0.096 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -107 | 26.4 | 177.2 | -58.2 | -73.9 | 0 | 0 | 0 | 112.5 | I64 I66 P86 H88 A89 G93 E94 V95 V378 | I64-F91 HydrophobicContact CD1-CE2 4.14Å; I66-F91 HydrophobicContact CG1-CE2 4.47Å; I66-F91 HydrophobicContact CG1-CZ 4.32Å; I66-F91 HydrophobicContact CG2-CE1 3.81Å; I66-F91 HydrophobicContact CG2-CZ 3.9Å; P86-F91 HydrophobicContact CB-CB 3.55Å; P86-F91 HydrophobicContact CB-CD2 4.38Å; P86-F91 HydrophobicContact CB-CG 4.2Å; P86-F91 HydrophobicContact CG-CB 4.06Å; H88-F91 HydrophobicContact CB-CD2 4.1Å; H88-F91 HydrophobicContact CB-CE2 4.5Å; H88-F91 PolarHBondContact O-N 3.2Å; A89-F91 PolarHBondContact O-N 2.76Å; F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 2.73Å; F91-E94 HydrophobicContact CB-CB 4.46Å; F91-E94 WeakPolarHBondContact O-CA 3.45Å; F91-E94 VanDerWaalsContact O-CB 3.3Å; F91-E94 WeakPolarHBondContact O-CB 3.39Å; F91-E94 PolarHBondContact O-N 3.44Å; F91-V95 PolarHBondContact O-N 2.71Å; F91-V378 HydrophobicContact CZ-CG2 4.19Å |
| 92 | G | 68.1 | Low | 79.6 | Confident | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59 | -37.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A89 E94 V95 E96 F121 D313 | A89-G92 PolarHBondContact O-N 3.37Å; G92-E94 PolarHBondContact O-N 2.99Å; G92-V95 WeakPolarHBondContact O-CA 3.35Å; G92-V95 VanDerWaalsContact O-CB 3.31Å; G92-V95 WeakPolarHBondContact O-CB 3.49Å; G92-V95 PolarHBondContact O-N 2.88Å; G92-V95 VanDerWaalsContact O-N 3.07Å; G92-E96 PolarHBondContact O-N 3.17Å; G92-F121 VanDerWaalsContact CA-CE1 3.48Å; G92-D313 VanDerWaalsContact C-OD2 3.24Å |
| 93 | G | 72 | Confident | 79.7 | Confident | 3 Ų | 3 | 10.1 Ų | 10.1 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.6 | -31.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F91 R97 D313 | F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 2.73Å; G93-R97 VanDerWaalsContact C-CZ 3.43Å; G93-R97 VanDerWaalsContact C-NH1 3.26Å; G93-R97 WeakPolarHBondContact O-CG 3.49Å; G93-R97 PolarHBondContact O-N 3.3Å; G93-R97 PolarHBondContact O-NE 3.49Å; G93-R97 PolarHBondContact O-NH1 3.39Å; G93-R97 VanDerWaalsContact O-NH1 3.12Å; G93-D313 WeakPolarHBondContact CA-OD2 3.27Å; G93-D313 PolarHBondContact N-OD2 3.04Å |
| 94 | E | 78.6 | Confident | 80 | Confident | 20 Ų | 20 | 10 Ų | 10 | 9% | 0.093 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 173.2 | -171.9 | 66.1 | -159.5 | 0 | 0 | 110.6 | A68 P86 F91 G92 E96 R97 V98 Q221 | A68-E94 HydrophobicContact CB-CG 4.29Å; A68-E94 WeakPolarHBondContact CB-OE1 3.34Å; P86-E94 HydrophobicContact CG-CB 3.98Å; P86-E94 HydrophobicContact CG-CG 3.63Å; F91-E94 HydrophobicContact CB-CB 4.46Å; F91-E94 WeakPolarHBondContact O-CA 3.45Å; F91-E94 VanDerWaalsContact O-CB 3.3Å; F91-E94 WeakPolarHBondContact O-CB 3.39Å; F91-E94 PolarHBondContact O-N 3.44Å; G92-E94 PolarHBondContact O-N 2.99Å; E94-E96 PolarHBondContact O-N 3.49Å; E94-R97 PolarHBondContact O-N 2.88Å; E94-R97 IonicContact OE2-CZ 3.41Å; E94-R97 IonicContact OE2-NE 3.24Å; E94-R97 PolarHBondContact OE2-NE 2.98Å; E94-R97 IonicContact OE2-NH2 3.51Å; E94-R97 PolarHBondContact OE2-NH2 2.89Å; E94-V98 WeakPolarHBondContact O-CG2 3.41Å; E94-V98 PolarHBondContact O-N 2.8Å; E94-Q221 PolarHBondContact OE1-NE2 3.41Å |
| 95 | V | 81.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.2 | -50 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | P86 F91 G92 R97 V98 M99 V122 K125 | P86-V95 HydrophobicContact CB-CG2 4.44Å; P86-V95 WeakPolarHBondContact O-CG2 3.47Å; F91-V95 PolarHBondContact O-N 2.71Å; G92-V95 WeakPolarHBondContact O-CA 3.35Å; G92-V95 VanDerWaalsContact O-CB 3.31Å; G92-V95 WeakPolarHBondContact O-CB 3.49Å; G92-V95 PolarHBondContact O-N 2.88Å; G92-V95 VanDerWaalsContact O-N 3.07Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 3.46Å; V95-V98 WeakPolarHBondContact O-CB 3.48Å; V95-V98 PolarHBondContact O-N 3.04Å; V95-V98 VanDerWaalsContact O-N 3.13Å; V95-M99 HydrophobicContact CG1-CE 3.79Å; V95-M99 HydrophobicContact CG1-CG 4.37Å; V95-M99 WeakPolarHBondContact O-CG 3.43Å; V95-M99 PolarHBondContact O-N 2.82Å; V95-V122 HydrophobicContact CB-CG1 4.49Å; V95-V122 HydrophobicContact CG1-CB 4.29Å; V95-V122 HydrophobicContact CG1-CG1 3.56Å; V95-V122 HydrophobicContact CG2-CG1 4.12Å; V95-V122 HydrophobicContact CG2-CG2 4.17Å; V95-K125 HydrophobicContact CG1-CB 4.15Å |
| 96 | E | 81.2 | Confident | 81.2 | Confident | 11 Ų | 11 | 9.9 Ų | 9.9 | 5% | 0.051 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.4 | -36.9 | -179.1 | -69 | -175.6 | 154.5 | 0 | 0 | 112.6 | G92 E94 V98 M99 S100 K125 S311 | G92-E96 PolarHBondContact O-N 3.17Å; E94-E96 PolarHBondContact O-N 3.49Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.36Å; E96-M99 PolarHBondContact O-N 2.89Å; E96-S100 PolarHBondContact O-N 2.79Å; E96-K125 HydrophobicContact CG-CD 4.06Å; E96-K125 HydrophobicContact CG-CG 4.49Å; E96-K125 WeakPolarHBondContact OE1-CD 3.36Å; E96-K125 VanDerWaalsContact OE1-CE 3.27Å; E96-K125 WeakPolarHBondContact OE1-CE 3.37Å; E96-K125 IonicContact OE1-NZ 3.49Å; E96-K125 PolarHBondContact OE1-NZ 3.48Å; E96-S311 WeakPolarHBondContact OE2-CB 3.27Å; E96-S311 PolarHBondContact OE2-OG 2.88Å |
| 97 | R | 84.9 | Confident | 82.2 | Confident | 12 Ų | 12 | 10 Ų | 10 | 5% | 0.045 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 175.4 | -69.7 | 179.7 | -49 | -114.8 | 13 | 111.9 | G93 E94 V95 S100 S220 I294 L310 | G93-R97 VanDerWaalsContact C-CZ 3.43Å; G93-R97 VanDerWaalsContact C-NH1 3.26Å; G93-R97 WeakPolarHBondContact O-CG 3.49Å; G93-R97 PolarHBondContact O-N 3.3Å; G93-R97 PolarHBondContact O-NE 3.49Å; G93-R97 PolarHBondContact O-NH1 3.39Å; G93-R97 VanDerWaalsContact O-NH1 3.12Å; E94-R97 PolarHBondContact O-N 2.88Å; E94-R97 IonicContact OE2-CZ 3.41Å; E94-R97 IonicContact OE2-NE 3.24Å; E94-R97 PolarHBondContact OE2-NE 2.98Å; E94-R97 IonicContact OE2-NH2 3.51Å; E94-R97 PolarHBondContact OE2-NH2 2.89Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 3.46Å; R97-S100 PolarHBondContact O-N 2.84Å; R97-S100 PolarHBondContact O-OG 3.34Å; R97-S220 VanDerWaalsContact CB-O 3.31Å; R97-S220 WeakPolarHBondContact CB-O 3.32Å; R97-S220 WeakPolarHBondContact CD-O 3.21Å; R97-S220 WeakPolarHBondContact CG-O 3.03Å; R97-I294 VanDerWaalsContact CD-CD1 3.45Å; R97-I294 VanDerWaalsContact CD-CG2 3.47Å; R97-I294 HydrophobicContact CG-CG2 4.33Å; R97-L310 HydrophobicContact CG-CD1 4.08Å |
| 98 | V | 89 | Confident | 83.7 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 171.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | A19 A68 V83 T85 E94 V95 E96 S100 M101 V102 | A19-V98 HydrophobicContact CB-CG1 3.77Å; A68-V98 HydrophobicContact CB-CG2 3.48Å; A68-V98 VanDerWaalsContact CB-CG2 3.48Å; V83-V98 HydrophobicContact CB-CG1 3.85Å; V83-V98 HydrophobicContact CG1-CB 4.25Å; V83-V98 HydrophobicContact CG1-CG1 3.5Å; V83-V98 VanDerWaalsContact CG1-CG1 3.5Å; V83-V98 HydrophobicContact CG1-CG2 3.83Å; T85-V98 HydrophobicContact CG2-CB 4.07Å; T85-V98 HydrophobicContact CG2-CG1 3.54Å; T85-V98 HydrophobicContact CG2-CG2 4.49Å; E94-V98 WeakPolarHBondContact O-CG2 3.41Å; E94-V98 PolarHBondContact O-N 2.8Å; V95-V98 WeakPolarHBondContact O-CB 3.48Å; V95-V98 PolarHBondContact O-N 3.04Å; V95-V98 VanDerWaalsContact O-N 3.13Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.36Å; V98-S100 PolarHBondContact O-N 3.42Å; V98-M101 PolarHBondContact O-N 2.85Å; V98-V102 HydrophobicContact CG1-CG1 4.4Å; V98-V102 PolarHBondContact O-N 3.41Å |
| 99 | M | 90.3 | Very high | 85 | Confident | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.8 | -31.1 | 178.7 | -61.6 | -51.7 | 158.8 | 0 | 0 | 112.6 | A19 I21 T85 V95 E96 M101 V102 V122 A126 Y129 L131 | A19-M99 HydrophobicContact CB-CE 4.4Å; A19-M99 HydrophobicContact CB-SD 4.35Å; I21-M99 HydrophobicContact CD1-CE 4.07Å; I21-M99 HydrophobicContact CG1-CE 4.5Å; T85-M99 HydrophobicContact CG2-CE 3.98Å; V95-M99 HydrophobicContact CG1-CE 3.79Å; V95-M99 HydrophobicContact CG1-CG 4.37Å; V95-M99 WeakPolarHBondContact O-CG 3.43Å; V95-M99 PolarHBondContact O-N 2.82Å; E96-M99 PolarHBondContact O-N 2.89Å; M99-M101 VanDerWaalsContact C-N 3.27Å; M99-M101 PolarHBondContact O-N 3.23Å; M99-V102 HydrophobicContact SD-CG2 4.44Å; M99-V122 HydrophobicContact CE-CG1 3.77Å; M99-A126 HydrophobicContact CE-CB 3.96Å; M99-A126 HydrophobicContact SD-CB 3.71Å; M99-Y129 HydrophobicContact CB-CD1 4.13Å; M99-Y129 HydrophobicContact CB-CD2 4Å; M99-Y129 HydrophobicContact CB-CE1 4.4Å; M99-Y129 HydrophobicContact CB-CE2 4.27Å; M99-Y129 HydrophobicContact CB-CG 3.92Å; M99-L131 HydrophobicContact CB-CD1 4.16Å; M99-L131 HydrophobicContact CG-CD1 4.34Å; M99-L131 HydrophobicContact SD-CD1 3.54Å; M99-L131 VanDerWaalsContact SD-CD1 3.54Å |
| 100 | S | 88.2 | Confident | 86.4 | Confident | 18 Ų | 18 | 6.8 Ų | 6.8 | 13% | 0.126 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.2 | 176 | 79 | 0 | 0 | 0 | 0 | 115.1 | E96 R97 V98 S220 R235 L310 | E96-S100 PolarHBondContact O-N 2.79Å; R97-S100 PolarHBondContact O-N 2.84Å; R97-S100 PolarHBondContact O-OG 3.34Å; V98-S100 PolarHBondContact O-N 3.42Å; S100-S220 PolarHBondContact OG-OG 2.89Å; S100-R235 PolarHBondContact O-NH2 2.99Å; S100-L310 VanDerWaalsContact CB-CD2 3.41Å |
| 101 | M | 90.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -11.6 | -176 | -67 | -171.5 | -72.8 | 0 | 0 | 113.7 | V98 M99 S220 Q221 R235 I283 | V98-M101 PolarHBondContact O-N 2.85Å; M99-M101 VanDerWaalsContact C-N 3.27Å; M99-M101 PolarHBondContact O-N 3.23Å; M101-S220 WeakPolarHBondContact CG-OG 3.45Å; M101-S220 VanDerWaalsContact SD-CB 3.59Å; M101-Q221 HydrophobicContact CE-CG 4.34Å; M101-R235 HydrophobicContact CB-CB 4.3Å; M101-R235 HydrophobicContact CG-CB 4.27Å; M101-R235 WeakPolarHBondContact O-CD 3.04Å; M101-I283 HydrophobicContact CB-CD1 4.34Å; M101-I283 HydrophobicContact SD-CG2 4.47Å |
| 102 | V | 94.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.024 | 5% | 0.045 | C | C | . | . | trans | -114.6 | 163.7 | -173 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | N17 A19 V83 V98 M99 L131 | N17-V102 HydrophobicContact CB-CB 4.42Å; N17-V102 HydrophobicContact CB-CG1 4.46Å; A19-V102 HydrophobicContact CB-CB 4.35Å; A19-V102 HydrophobicContact CB-CG1 4.06Å; A19-V102 HydrophobicContact CB-CG2 3.8Å; V83-V102 HydrophobicContact CB-CG1 4.11Å; V83-V102 HydrophobicContact CG2-CG1 3.79Å; V98-V102 HydrophobicContact CG1-CG1 4.4Å; V98-V102 PolarHBondContact O-N 3.41Å; M99-V102 HydrophobicContact SD-CG2 4.44Å; V102-L131 HydrophobicContact CG2-CD1 3.79Å | ||
| 103 | D | 94.5 | Very high | 89.3 | Confident | 27 Ų | 27 | 11.7 Ų | 11.7 | 14% | 0.144 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -117.9 | -4.4 | -175.8 | -57.5 | -72.2 | 0 | 0 | 0 | 111.8 | N17 P205 P207 R235 | N17-D103 PolarHBondContact ND2-OD2 3.23Å; N17-D103 PolarHBondContact O-N 2.93Å; D103-P205 HydrophobicContact CB-CG 4.21Å; D103-P207 WeakPolarHBondContact OD2-CG 3.37Å; D103-R235 VanDerWaalsContact CG-NH1 3.3Å; D103-R235 IonicContact OD1-CZ 2.74Å; D103-R235 IonicContact OD1-NH1 3.2Å; D103-R235 PolarHBondContact OD1-NH1 3.35Å; D103-R235 IonicContact OD2-NH1 3.99Å; D103-R235 PolarHBondContact OD2-NH1 3.02Å |
| 104 | S | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 177.6 | 173 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | N17 I18 A19 K132 | N17-S104 PolarHBondContact O-N 3.41Å; I18-S104 WeakPolarHBondContact CA-O 3.3Å; A19-S104 PolarHBondContact N-O 2.77Å; A19-S104 VanDerWaalsContact N-O 3.07Å; S104-K132 PolarHBondContact OG-O 3.09Å |
| 105 | V | 94.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.9 | -179.6 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | A19 I21 A126 L131 K132 P133 I134 | A19-V105 HydrophobicContact CB-CG2 4.4Å; A19-V105 CarbonylContact O-C 3.42Å; A19-V105 WeakPolarHBondContact O-CA 3.32Å; I21-V105 HydrophobicContact CB-CG2 4.41Å; I21-V105 HydrophobicContact CD1-CG2 3.23Å; I21-V105 HydrophobicContact CG1-CG2 3.44Å; I21-V105 VanDerWaalsContact CG1-CG2 3.44Å; V105-A126 HydrophobicContact CB-CB 4.33Å; V105-A126 HydrophobicContact CG1-CB 4.07Å; V105-A126 HydrophobicContact CG2-CB 4.35Å; V105-L131 HydrophobicContact CG1-CB 4.49Å; V105-K132 PolarHBondContact N-O 2.71Å; V105-P133 HydrophobicContact CG1-CB 3.88Å; V105-P133 CarbonylContact O-C 3.37Å; V105-P133 WeakPolarHBondContact O-CA 3.28Å; V105-I134 PolarHBondContact O-N 3.08Å |
| 106 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 104.2 | 176.7 | -164.6 | 67.8 | 0 | 0 | 0 | 109.4 | I18 A19 I20 I21 L31 I134 V136 L196 | I18-L106 HydrophobicContact CD1-CB 3.65Å; I18-L106 HydrophobicContact CD1-CD1 4.18Å; I18-L106 HydrophobicContact CD1-CG 4.45Å; I18-L106 HydrophobicContact CG1-CB 4.04Å; A19-L106 PolarHBondContact O-N 2.83Å; I20-L106 HydrophobicContact CB-CB 4.47Å; I20-L106 HydrophobicContact CD1-CD2 4.15Å; I20-L106 HydrophobicContact CG1-CB 4.39Å; I20-L106 HydrophobicContact CG1-CD2 4.33Å; I21-L106 PolarHBondContact N-O 3.35Å; L31-L106 HydrophobicContact CD2-CD2 4.4Å; L106-I134 CarbonylContact C-O 3.52Å; L106-I134 WeakPolarHBondContact CA-O 3.4Å; L106-I134 HydrophobicContact CD1-CB 3.69Å; L106-I134 HydrophobicContact CD1-CG2 3.51Å; L106-V136 HydrophobicContact CD1-CG2 3.42Å; L106-V136 VanDerWaalsContact CD1-CG2 3.42Å; L106-V136 HydrophobicContact CD2-CG2 4.24Å; L106-V136 HydrophobicContact CG-CG2 3.81Å; L106-L196 HydrophobicContact CD1-CD1 4.18Å |
| 107 | L | 94.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 109.3 | 178.4 | 179.9 | 62.9 | 0 | 0 | 0 | 110.5 | I21 V109 I134 V136 V154 F158 | I21-L107 HydrophobicContact CB-CD1 4.04Å; I21-L107 HydrophobicContact CG2-CD1 3.81Å; L107-V109 HydrophobicContact CD2-CG2 4.21Å; L107-V109 HydrophobicContact CG-CG2 3.86Å; L107-I134 PolarHBondContact N-O 2.83Å; L107-V136 PolarHBondContact O-N 2.85Å; L107-V154 HydrophobicContact CD2-CG1 4.38Å; L107-F158 HydrophobicContact CD2-CE1 3.56Å; L107-F158 HydrophobicContact CD2-CZ 3.69Å |
| 108 | V | 94 | Very high | 89 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.8 | 178.4 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | I20 I21 A22 H26 L31 V136 N138 | I20-V108 HydrophobicContact CD1-CG2 3.92Å; I20-V108 HydrophobicContact CG1-CG2 3.91Å; I21-V108 PolarHBondContact O-N 3.16Å; A22-V108 HydrophobicContact CB-CB 3.82Å; A22-V108 HydrophobicContact CB-CG2 4.42Å; H26-V108 HydrophobicContact CB-CG1 4.38Å; H26-V108 PolarHBondContact ND1-O 3.46Å; H26-V108 VanDerWaalsContact ND1-O 3.14Å; L31-V108 HydrophobicContact CD2-CG1 4.3Å; L31-V108 HydrophobicContact CD2-CG2 3.68Å; V108-V136 WeakPolarHBondContact CA-O 3.39Å; V108-V136 HydrophobicContact CG2-CB 4.37Å; V108-N138 HydrophobicContact CG1-CB 3.85Å |
| 109 | V | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.7 | -175.5 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | L107 G114 P115 V135 V136 I137 N138 V150 V154 | L107-V109 HydrophobicContact CD2-CG2 4.21Å; L107-V109 HydrophobicContact CG-CG2 3.86Å; V109-G114 WeakPolarHBondContact CG1-O 3.39Å; V109-P115 HydrophobicContact CG1-CB 4.45Å; V109-V135 HydrophobicContact CG2-CG1 4.47Å; V109-V136 PolarHBondContact N-O 2.85Å; V109-I137 CarbonylContact O-C 3.54Å; V109-I137 WeakPolarHBondContact O-CA 3.31Å; V109-N138 PolarHBondContact O-N 3.01Å; V109-V150 HydrophobicContact CB-CG1 4.27Å; V109-V150 HydrophobicContact CG1-CG1 3.5Å; V109-V154 HydrophobicContact CB-CG2 4.47Å; V109-V154 HydrophobicContact CG1-CG2 4.21Å; V109-V154 HydrophobicContact CG2-CG2 3.92Å |
| 110 | D | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.1 | 174.7 | -178.8 | -72.6 | 0 | 0 | 0 | 110.3 | H26 F112 D113 G114 K139 R142 | H26-D110 HydrophobicContact CB-CB 4.4Å; H26-D110 VanDerWaalsContact CD2-CB 3.41Å; H26-D110 WeakPolarHBondContact CD2-CB 3.42Å; H26-D110 PolarHBondContact ND1-N 2.88Å; D110-F112 PolarHBondContact O-N 2.75Å; D110-F112 VanDerWaalsContact O-N 3.16Å; D110-F112 WeakPolarHBondContact OD1-CA 3.41Å; D110-F112 VanDerWaalsContact OD1-CB 3.26Å; D110-F112 WeakPolarHBondContact OD1-CB 3.43Å; D110-F112 PolarHBondContact OD1-N 3.42Å; D110-D113 HydrophobicContact CB-CB 4.17Å; D110-D113 PolarHBondContact OD1-N 3.2Å; D110-G114 PolarHBondContact O-N 3.39Å; D110-K139 VanDerWaalsContact OD2-CD 3.25Å; D110-K139 WeakPolarHBondContact OD2-CD 3.31Å; D110-K139 VanDerWaalsContact OD2-CE 3.3Å; D110-K139 WeakPolarHBondContact OD2-CE 3.23Å; D110-K139 IonicContact OD2-NZ 3.28Å; D110-K139 PolarHBondContact OD2-NZ 2.81Å; D110-R142 IonicContact OD1-NH1 2.95Å; D110-R142 IonicContact OD2-NH1 3.95Å; D110-R142 PolarHBondContact OD2-NH1 3.43Å |
| 111 | A | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I137 N138 V140 A145 R146 V150 | A111-I137 HydrophobicContact CB-CG2 3.62Å; A111-N138 VanDerWaalsContact CB-O 3.28Å; A111-N138 WeakPolarHBondContact CB-O 3.49Å; A111-N138 PolarHBondContact N-O 2.74Å; A111-V140 HydrophobicContact CB-CG1 4.01Å; A111-A145 HydrophobicContact CB-CB 3.9Å; A111-R146 CarbonylContact O-C 3.59Å; A111-R146 WeakPolarHBondContact O-CG 3.37Å; A111-R146 PolarHBondContact O-N 3.31Å; A111-V150 WeakPolarHBondContact O-CG2 3.33Å |
| 112 | F | 89.6 | Confident | 86.8 | Confident | 87 Ų | 87 | 18.5 Ų | 18.5 | 38% | 0.382 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -49.7 | 175.7 | 177.9 | -98.1 | 0 | 0 | 0 | 111.5 | D110 G144 R146 | D110-F112 PolarHBondContact O-N 2.75Å; D110-F112 VanDerWaalsContact O-N 3.16Å; D110-F112 WeakPolarHBondContact OD1-CA 3.41Å; D110-F112 VanDerWaalsContact OD1-CB 3.26Å; D110-F112 WeakPolarHBondContact OD1-CB 3.43Å; D110-F112 PolarHBondContact OD1-N 3.42Å; F112-G144 VanDerWaalsContact CD2-O 3.29Å; F112-G144 WeakPolarHBondContact CD2-O 3.47Å; F112-R146 VanDerWaalsContact O-CZ 3.26Å; F112-R146 PolarHBondContact O-NE 2.78Å; F112-R146 PolarHBondContact O-NH2 3.14Å |
| 113 | D | 85.5 | Confident | 86.5 | Confident | 57 Ų | 57 | 18.4 Ų | 18.4 | 31% | 0.305 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -35.7 | -172.9 | -66.8 | -39.9 | 0 | 0 | 0 | 112.9 | D110 M116 | D110-D113 HydrophobicContact CB-CB 4.17Å; D110-D113 PolarHBondContact OD1-N 3.2Å; D113-M116 HydrophobicContact CB-CE 3.49Å; D113-M116 VanDerWaalsContact CB-CE 3.49Å |
| 114 | G | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | 81.2 | -170 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H26 V109 D110 M116 | H26-G114 PolarHBondContact CE1-O 3.43Å; V109-G114 WeakPolarHBondContact CG1-O 3.39Å; D110-G114 PolarHBondContact O-N 3.39Å; G114-M116 PolarHBondContact O-N 3.15Å |
| 115 | P | 86.1 | Confident | 85.3 | Confident | 25 Ų | 25 | 25 Ų | 25 | 16% | 0.162 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -68.3 | 126.8 | -176.8 | 25.8 | -32.4 | 0 | 0 | 0 | 111.6 | V109 Q153 V154 L157 | V109-P115 HydrophobicContact CG1-CB 4.45Å; P115-Q153 HydrophobicContact CG-CB 3.8Å; P115-V154 HydrophobicContact CB-CG2 4.2Å; P115-V154 HydrophobicContact CG-CG2 4.06Å; P115-L157 HydrophobicContact CB-CD2 3.79Å |
| 116 | M | 80.7 | Confident | 85 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | trans | -92.2 | 145.9 | -177.7 | -73 | -62.8 | -169.9 | 0 | 0 | 112 | H23 H26 D113 G114 Q118 T119 | H23-M116 HydrophobicContact CB-CB 4.01Å; H23-M116 HydrophobicContact CB-CG 4.05Å; H26-M116 WeakPolarHBondContact NE2-CG 3.35Å; D113-M116 HydrophobicContact CB-CE 3.49Å; D113-M116 VanDerWaalsContact CB-CE 3.49Å; G114-M116 PolarHBondContact O-N 3.15Å; M116-Q118 VanDerWaalsContact C-N 3.25Å; M116-Q118 PolarHBondContact O-N 3.25Å; M116-T119 PolarHBondContact O-N 3.18Å; M116-T119 PolarHBondContact O-OG1 2.72Å | ||
| 117 | P | 69.2 | Low | 84.7 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -26.7 | -177.4 | -30.7 | 40.5 | 0 | 0 | 0 | 115.7 | T119 R120 Y476 | P117-T119 VanDerWaalsContact C-N 3.3Å; P117-T119 PolarHBondContact O-N 3.02Å; P117-R120 WeakPolarHBondContact O-CB 3.49Å; P117-R120 WeakPolarHBondContact O-CG 3.45Å; P117-R120 PolarHBondContact O-N 3.42Å; P117-R120 VanDerWaalsContact O-N 3.1Å; P117-Y476 HydrophobicContact CB-CD1 4.13Å; P117-Y476 HydrophobicContact CB-CD2 3.21Å; P117-Y476 HydrophobicContact CB-CE2 3.64Å; P117-Y476 HydrophobicContact CB-CG 3.4Å; P117-Y476 HydrophobicContact CG-CD2 3.27Å; P117-Y476 HydrophobicContact CG-CE2 3.25Å; P117-Y476 HydrophobicContact CG-CG 4.01Å |
| 118 | Q | 68.3 | Low | 84.3 | Confident | 45 Ų | 45 | 29.4 Ų | 29.4 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.3 | -60.1 | 95.4 | -40.5 | 0 | 0 | 112.1 | H23 G87 M116 R120 Y476 | H23-Q118 PolarHBondContact CD2-NE2 3.36Å; H23-Q118 PolarHBondContact CD2-OE1 3.39Å; H23-Q118 PolarHBondContact NE2-NE2 2.64Å; G87-Q118 CarbonylContact O-C 3.56Å; G87-Q118 VanDerWaalsContact O-O 3.07Å; M116-Q118 VanDerWaalsContact C-N 3.25Å; M116-Q118 PolarHBondContact O-N 3.25Å; Q118-R120 PolarHBondContact O-N 2.98Å; Q118-Y476 HydrophobicContact CG-CD1 3.75Å; Q118-Y476 HydrophobicContact CG-CE1 3.82Å |
| 119 | T | 77.9 | Confident | 84 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.3 | -20.1 | 178.8 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | I21 H23 M116 P117 F121 V122 T123 | I21-T119 HydrophobicContact CG2-CG2 3.82Å; H23-T119 HydrophobicContact CB-CG2 4.4Å; M116-T119 PolarHBondContact O-N 3.18Å; M116-T119 PolarHBondContact O-OG1 2.72Å; P117-T119 VanDerWaalsContact C-N 3.3Å; P117-T119 PolarHBondContact O-N 3.02Å; T119-F121 VanDerWaalsContact C-N 3.31Å; T119-F121 PolarHBondContact O-N 3.13Å; T119-V122 PolarHBondContact O-N 3.18Å; T119-T123 WeakPolarHBondContact O-CB 3.38Å; T119-T123 PolarHBondContact O-N 2.91Å; T119-T123 PolarHBondContact O-OG1 3.45Å |
| 120 | R | 77.5 | Confident | 83.9 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 25% | 0.249 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | -178.2 | -61.8 | -178.3 | 62.9 | 109.2 | 0.9 | 112.6 | P117 Q118 K124 L157 | P117-R120 WeakPolarHBondContact O-CB 3.49Å; P117-R120 WeakPolarHBondContact O-CG 3.45Å; P117-R120 PolarHBondContact O-N 3.42Å; P117-R120 VanDerWaalsContact O-N 3.1Å; Q118-R120 PolarHBondContact O-N 2.98Å; R120-K124 VanDerWaalsContact O-CB 3.23Å; R120-K124 WeakPolarHBondContact O-CB 3.44Å; R120-K124 PolarHBondContact O-N 2.88Å; R120-L157 HydrophobicContact CB-CD1 4.32Å; R120-L157 HydrophobicContact CG-CD1 3.54Å; R120-L157 HydrophobicContact CG-CD2 4.49Å; R120-L157 VanDerWaalsContact NH1-CD1 3.27Å |
| 121 | F | 73.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | -179.5 | 172.6 | -97.4 | 0 | 0 | 0 | 111 | A89 G92 T119 K124 K125 T478 | A89-F121 HydrophobicContact CB-CD1 4.41Å; A89-F121 HydrophobicContact CB-CG 4.32Å; G92-F121 VanDerWaalsContact CA-CE1 3.48Å; T119-F121 VanDerWaalsContact C-N 3.31Å; T119-F121 PolarHBondContact O-N 3.13Å; F121-K124 PolarHBondContact O-N 3.37Å; F121-K125 HydrophobicContact CE1-CG 4.19Å; F121-K125 HydrophobicContact CE2-CG 4.33Å; F121-K125 HydrophobicContact CZ-CD 4.46Å; F121-K125 HydrophobicContact CZ-CG 4.04Å; F121-K125 WeakPolarHBondContact O-CG 3.26Å; F121-K125 PolarHBondContact O-N 3.16Å; F121-T478 HydrophobicContact CB-CG2 4.41Å; F121-T478 HydrophobicContact CD2-CG2 3.37Å; F121-T478 HydrophobicContact CE2-CG2 3.98Å; F121-T478 HydrophobicContact CG-CG2 4.19Å |
| 122 | V | 82.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | -179.7 | -166 | 0 | 0 | 0 | 0 | 110.7 | I21 T85 P86 V95 M99 T119 K125 A126 | I21-V122 HydrophobicContact CB-CG1 4.45Å; I21-V122 HydrophobicContact CD1-CB 3.93Å; I21-V122 HydrophobicContact CD1-CG1 3.44Å; I21-V122 VanDerWaalsContact CD1-CG1 3.44Å; I21-V122 HydrophobicContact CG1-CB 4.37Å; I21-V122 HydrophobicContact CG1-CG1 3.63Å; I21-V122 HydrophobicContact CG2-CB 3.96Å; I21-V122 HydrophobicContact CG2-CG1 4.05Å; T85-V122 HydrophobicContact CG2-CG1 4.38Å; P86-V122 WeakPolarHBondContact O-CG2 3.23Å; V95-V122 HydrophobicContact CB-CG1 4.49Å; V95-V122 HydrophobicContact CG1-CB 4.29Å; V95-V122 HydrophobicContact CG1-CG1 3.56Å; V95-V122 HydrophobicContact CG2-CG1 4.12Å; V95-V122 HydrophobicContact CG2-CG2 4.17Å; M99-V122 HydrophobicContact CE-CG1 3.77Å; T119-V122 PolarHBondContact O-N 3.18Å; V122-K125 PolarHBondContact O-N 2.88Å; V122-A126 PolarHBondContact O-N 2.7Å |
| 123 | T | 86.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | T119 K125 A126 F127 F158 L161 | T119-T123 WeakPolarHBondContact O-CB 3.38Å; T119-T123 PolarHBondContact O-N 2.91Å; T119-T123 PolarHBondContact O-OG1 3.45Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact O-N 3.37Å; T123-A126 WeakPolarHBondContact O-CB 3.36Å; T123-A126 PolarHBondContact O-N 3.09Å; T123-A126 VanDerWaalsContact O-N 3.14Å; T123-F127 HydrophobicContact CG2-CD2 4.3Å; T123-F127 HydrophobicContact CG2-CE1 4Å; T123-F127 HydrophobicContact CG2-CE2 3.75Å; T123-F127 HydrophobicContact CG2-CZ 3.59Å; T123-F127 WeakPolarHBondContact O-CG 3.47Å; T123-F127 PolarHBondContact O-N 2.82Å; T123-F158 HydrophobicContact CG2-CD1 4.31Å; T123-F158 HydrophobicContact CG2-CE1 3.83Å; T123-L161 HydrophobicContact CG2-CD1 3.75Å |
| 124 | K | 82.7 | Confident | 84.6 | Confident | 115 Ų | 115 | 34 Ų | 34 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.6 | -172.3 | 175.6 | -177.6 | 173.6 | 0 | 111.7 | R120 F121 F127 A128 L161 | R120-K124 VanDerWaalsContact O-CB 3.23Å; R120-K124 WeakPolarHBondContact O-CB 3.44Å; R120-K124 PolarHBondContact O-N 2.88Å; F121-K124 PolarHBondContact O-N 3.37Å; K124-F127 PolarHBondContact O-N 2.95Å; K124-A128 PolarHBondContact O-N 3.4Å; K124-L161 HydrophobicContact CB-CD1 4.37Å; K124-L161 HydrophobicContact CB-CD2 3.92Å; K124-L161 HydrophobicContact CD-CD2 4.18Å; K124-L161 HydrophobicContact CG-CD2 4.16Å |
| 125 | K | 82.7 | Confident | 85 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 22% | 0.222 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 175.6 | -69.1 | -66.6 | -171.7 | 170.6 | 0 | 111.5 | V95 E96 F121 V122 T123 F127 A128 Y129 | V95-K125 HydrophobicContact CG1-CB 4.15Å; E96-K125 HydrophobicContact CG-CD 4.06Å; E96-K125 HydrophobicContact CG-CG 4.49Å; E96-K125 WeakPolarHBondContact OE1-CD 3.36Å; E96-K125 VanDerWaalsContact OE1-CE 3.27Å; E96-K125 WeakPolarHBondContact OE1-CE 3.37Å; E96-K125 IonicContact OE1-NZ 3.49Å; E96-K125 PolarHBondContact OE1-NZ 3.48Å; F121-K125 HydrophobicContact CE1-CG 4.19Å; F121-K125 HydrophobicContact CE2-CG 4.33Å; F121-K125 HydrophobicContact CZ-CD 4.46Å; F121-K125 HydrophobicContact CZ-CG 4.04Å; F121-K125 WeakPolarHBondContact O-CG 3.26Å; F121-K125 PolarHBondContact O-N 3.16Å; V122-K125 PolarHBondContact O-N 2.88Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact O-N 3.37Å; K125-F127 VanDerWaalsContact C-N 3.34Å; K125-F127 PolarHBondContact O-N 2.83Å; K125-A128 PolarHBondContact O-N 2.79Å; K125-Y129 WeakPolarHBondContact O-CD2 3.2Å; K125-Y129 PolarHBondContact O-N 3.22Å |
| 126 | A | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I21 M99 V105 V122 T123 Y129 G130 L131 | I21-A126 HydrophobicContact CD1-CB 4.46Å; M99-A126 HydrophobicContact CE-CB 3.96Å; M99-A126 HydrophobicContact SD-CB 3.71Å; V105-A126 HydrophobicContact CB-CB 4.33Å; V105-A126 HydrophobicContact CG1-CB 4.07Å; V105-A126 HydrophobicContact CG2-CB 4.35Å; V122-A126 PolarHBondContact O-N 2.7Å; T123-A126 WeakPolarHBondContact O-CB 3.36Å; T123-A126 PolarHBondContact O-N 3.09Å; T123-A126 VanDerWaalsContact O-N 3.14Å; A126-Y129 PolarHBondContact O-N 3.01Å; A126-Y129 VanDerWaalsContact O-N 3.14Å; A126-G130 PolarHBondContact O-N 3.25Å; A126-L131 HydrophobicContact CB-CB 4.47Å; A126-L131 HydrophobicContact CB-CD1 4.28Å; A126-L131 WeakPolarHBondContact O-CB 3.29Å; A126-L131 PolarHBondContact O-N 3.1Å; A126-L131 VanDerWaalsContact O-N 3.15Å |
| 127 | F | 89 | Confident | 86.3 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | 177 | -67.3 | -12.1 | 0 | 0 | 0 | 113.1 | T123 K124 K125 Y129 G130 P133 F158 L161 A163 Q167 | T123-F127 HydrophobicContact CG2-CD2 4.3Å; T123-F127 HydrophobicContact CG2-CE1 4Å; T123-F127 HydrophobicContact CG2-CE2 3.75Å; T123-F127 HydrophobicContact CG2-CZ 3.59Å; T123-F127 WeakPolarHBondContact O-CG 3.47Å; T123-F127 PolarHBondContact O-N 2.82Å; K124-F127 PolarHBondContact O-N 2.95Å; K125-F127 VanDerWaalsContact C-N 3.34Å; K125-F127 PolarHBondContact O-N 2.83Å; F127-Y129 PolarHBondContact O-N 3.16Å; F127-G130 PolarHBondContact O-N 3.16Å; F127-P133 HydrophobicContact CE1-CB 4.12Å; F127-P133 HydrophobicContact CE1-CG 3.73Å; F127-P133 HydrophobicContact CZ-CG 4.15Å; F127-F158 HydrophobicContact CE2-CB 4.14Å; F127-F158 AromaticContact CE2-CD1 3.74Å; F127-F158 HydrophobicContact CE2-CD1 3.74Å; F127-F158 HydrophobicContact CE2-CD2 4.42Å; F127-F158 HydrophobicContact CE2-CE1 4.24Å; F127-F158 AromaticContact CE2-CG 3.85Å; F127-F158 HydrophobicContact CE2-CG 3.85Å; F127-F158 HydrophobicContact CZ-CB 4.34Å; F127-F158 AromaticContact CZ-CD1 3.54Å; F127-F158 HydrophobicContact CZ-CD1 3.54Å; F127-F158 AromaticContact CZ-CD2 3.79Å; F127-F158 HydrophobicContact CZ-CD2 3.79Å; F127-F158 AromaticContact CZ-CE1 3.65Å; F127-F158 HydrophobicContact CZ-CE1 3.65Å; F127-F158 AromaticContact CZ-CE2 3.9Å; F127-F158 HydrophobicContact CZ-CE2 3.9Å; F127-F158 AromaticContact CZ-CG 3.62Å; F127-F158 HydrophobicContact CZ-CG 3.62Å; F127-F158 AromaticContact CZ-CZ 3.83Å; F127-F158 HydrophobicContact CZ-CZ 3.83Å; F127-L161 HydrophobicContact CD2-CB 3.93Å; F127-L161 HydrophobicContact CD2-CD1 4.38Å; F127-L161 HydrophobicContact CE2-CB 4.08Å; F127-L161 HydrophobicContact CE2-CD1 4.2Å; F127-A163 HydrophobicContact CD2-CB 4.04Å; F127-A163 HydrophobicContact CE2-CB 3.79Å; F127-A163 HydrophobicContact CZ-CB 4.37Å; F127-Q167 HydrophobicContact CD1-CG 4.33Å; F127-Q167 HydrophobicContact CE1-CB 4.47Å; F127-Q167 PolarHBondContact O-NE2 3.42Å |
| 128 | A | 86.3 | Confident | 87.6 | Confident | 83 Ų | 83 | 30.9 Ų | 30.9 | 69% | 0.686 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -62.2 | -25.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K124 K125 G130 | K124-A128 PolarHBondContact O-N 3.4Å; K125-A128 PolarHBondContact O-N 2.79Å; A128-G130 VanDerWaalsContact C-N 3.32Å |
| 129 | Y | 87.7 | Confident | 88.9 | Confident | 91 Ų | 91 | 31 Ų | 31 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2 | 172.3 | -86.7 | -105.2 | 0 | 0 | 0 | 113.5 | M99 K125 A126 F127 L131 | M99-Y129 HydrophobicContact CB-CD1 4.13Å; M99-Y129 HydrophobicContact CB-CD2 4Å; M99-Y129 HydrophobicContact CB-CE1 4.4Å; M99-Y129 HydrophobicContact CB-CE2 4.27Å; M99-Y129 HydrophobicContact CB-CG 3.92Å; K125-Y129 WeakPolarHBondContact O-CD2 3.2Å; K125-Y129 PolarHBondContact O-N 3.22Å; A126-Y129 PolarHBondContact O-N 3.01Å; A126-Y129 VanDerWaalsContact O-N 3.14Å; F127-Y129 PolarHBondContact O-N 3.16Å; Y129-L131 PolarHBondContact O-N 3.32Å |
| 130 | G | 90.5 | Very high | 89.6 | Confident | 51 Ų | 51 | 32 Ų | 32 | 53% | 0.526 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 14.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | A126 F127 A128 | A126-G130 PolarHBondContact O-N 3.25Å; F127-G130 PolarHBondContact O-N 3.16Å; A128-G130 VanDerWaalsContact C-N 3.32Å |
| 131 | L | 93.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 131.5 | -177.5 | -59.2 | 176.9 | 0 | 0 | 0 | 110.4 | M99 V102 V105 A126 Y129 | M99-L131 HydrophobicContact CB-CD1 4.16Å; M99-L131 HydrophobicContact CG-CD1 4.34Å; M99-L131 HydrophobicContact SD-CD1 3.54Å; M99-L131 VanDerWaalsContact SD-CD1 3.54Å; V102-L131 HydrophobicContact CG2-CD1 3.79Å; V105-L131 HydrophobicContact CG1-CB 4.49Å; A126-L131 HydrophobicContact CB-CB 4.47Å; A126-L131 HydrophobicContact CB-CD1 4.28Å; A126-L131 WeakPolarHBondContact O-CB 3.29Å; A126-L131 PolarHBondContact O-N 3.1Å; A126-L131 VanDerWaalsContact O-N 3.15Å; Y129-L131 PolarHBondContact O-N 3.32Å |
| 132 | K | 93.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130.3 | 174.6 | -66.3 | -174.5 | -65.8 | 167.3 | 0 | 110 | S104 V105 H203 | S104-K132 PolarHBondContact OG-O 3.09Å; V105-K132 PolarHBondContact N-O 2.71Å; K132-H203 PolarHBondContact NZ-O 3.09Å |
| 133 | P | 95.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 148.8 | 177.6 | 33.5 | -33.9 | 0 | 0 | 0 | 112.5 | V105 F127 F158 F170 | V105-P133 HydrophobicContact CG1-CB 3.88Å; V105-P133 CarbonylContact O-C 3.37Å; V105-P133 WeakPolarHBondContact O-CA 3.28Å; F127-P133 HydrophobicContact CE1-CB 4.12Å; F127-P133 HydrophobicContact CE1-CG 3.73Å; F127-P133 HydrophobicContact CZ-CG 4.15Å; P133-F158 HydrophobicContact CB-CE2 3.95Å; P133-F158 HydrophobicContact CB-CZ 3.92Å; P133-F158 HydrophobicContact CG-CD2 4.25Å; P133-F158 HydrophobicContact CG-CE2 3.43Å; P133-F158 VanDerWaalsContact CG-CE2 3.43Å; P133-F158 HydrophobicContact CG-CZ 3.9Å; P133-F170 HydrophobicContact CG-CB 3.96Å; P133-F170 WeakPolarHBondContact O-CB 3.07Å |
| 134 | I | 96.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 160.6 | -59.9 | -176.6 | 0 | 0 | 0 | 106.1 | I18 V105 L106 L107 P171 I200 H203 V204 | I18-I134 HydrophobicContact CD1-CD1 4.27Å; V105-I134 PolarHBondContact O-N 3.08Å; L106-I134 CarbonylContact C-O 3.52Å; L106-I134 WeakPolarHBondContact CA-O 3.4Å; L106-I134 HydrophobicContact CD1-CB 3.69Å; L106-I134 HydrophobicContact CD1-CG2 3.51Å; L107-I134 PolarHBondContact N-O 2.83Å; I134-P171 HydrophobicContact CB-CG 4.12Å; I134-P171 HydrophobicContact CD1-CG 4.47Å; I134-P171 HydrophobicContact CG1-CG 3.74Å; I134-P171 HydrophobicContact CG2-CG 4.02Å; I134-I200 HydrophobicContact CD1-CG1 4.2Å; I134-H203 HydrophobicContact CD1-CB 4.1Å; I134-H203 HydrophobicContact CG1-CB 4.36Å; I134-V204 HydrophobicContact CD1-CG2 3.65Å |
| 135 | V | 96.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.2 | -177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | V109 I137 V154 F158 F170 P171 V173 | V109-V135 HydrophobicContact CG2-CG1 4.47Å; V135-I137 HydrophobicContact CG1-CG1 4.2Å; V135-V154 HydrophobicContact CG1-CG1 4.12Å; V135-V154 HydrophobicContact CG1-CG2 4.46Å; V135-V154 HydrophobicContact CG2-CG1 3.88Å; V135-F158 HydrophobicContact CG2-CE2 4.04Å; V135-F158 HydrophobicContact CG2-CZ 3.86Å; V135-F170 HydrophobicContact CB-CD2 3.86Å; V135-F170 HydrophobicContact CB-CE2 4.02Å; V135-F170 HydrophobicContact CG2-CD2 3.35Å; V135-F170 HydrophobicContact CG2-CE2 3.56Å; V135-F170 HydrophobicContact CG2-CG 4.07Å; V135-F170 HydrophobicContact CG2-CZ 4.41Å; V135-P171 PolarHBondContact N-O 3.41Å; V135-V173 PolarHBondContact O-N 3.14Å |
| 136 | V | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 110.3 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | L31 L106 L107 V108 V109 N138 V173 A175 L196 | L31-V136 HydrophobicContact CD2-CG1 4.12Å; L106-V136 HydrophobicContact CD1-CG2 3.42Å; L106-V136 VanDerWaalsContact CD1-CG2 3.42Å; L106-V136 HydrophobicContact CD2-CG2 4.24Å; L106-V136 HydrophobicContact CG-CG2 3.81Å; L107-V136 PolarHBondContact O-N 2.85Å; V108-V136 WeakPolarHBondContact CA-O 3.39Å; V108-V136 HydrophobicContact CG2-CB 4.37Å; V109-V136 PolarHBondContact N-O 2.85Å; V136-N138 PolarHBondContact O-N 2.82Å; V136-V173 CarbonylContact C-O 3.16Å; V136-V173 VanDerWaalsContact CA-O 3.23Å; V136-V173 WeakPolarHBondContact CA-O 3.47Å; V136-A175 HydrophobicContact CG1-CB 3.71Å; V136-L196 HydrophobicContact CG2-CD1 3.69Å; V136-L196 HydrophobicContact CG2-CD2 4.39Å |
| 137 | I | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 99 | 173.9 | -62.5 | 179.1 | 0 | 0 | 0 | 107.8 | V109 A111 V135 V140 P147 V150 V151 I172 V173 Y174 A175 | V109-I137 CarbonylContact O-C 3.54Å; V109-I137 WeakPolarHBondContact O-CA 3.31Å; A111-I137 HydrophobicContact CB-CG2 3.62Å; V135-I137 HydrophobicContact CG1-CG1 4.2Å; I137-V140 HydrophobicContact CG2-CG1 4.18Å; I137-V140 WeakPolarHBondContact O-CG1 3.17Å; I137-P147 HydrophobicContact CG2-CB 4.35Å; I137-V150 HydrophobicContact CD1-CB 4.46Å; I137-V150 HydrophobicContact CD1-CG1 4.1Å; I137-V150 HydrophobicContact CG1-CG1 4.23Å; I137-V150 HydrophobicContact CG2-CG1 4.45Å; I137-V151 HydrophobicContact CD1-CB 4.44Å; I137-V151 HydrophobicContact CD1-CG2 3.31Å; I137-I172 HydrophobicContact CD1-CG2 4.04Å; I137-I172 HydrophobicContact CG1-CG2 4.48Å; I137-V173 PolarHBondContact N-O 2.89Å; I137-Y174 HydrophobicContact CB-CD1 3.83Å; I137-Y174 HydrophobicContact CB-CE1 4.19Å; I137-Y174 HydrophobicContact CD1-CD1 4.29Å; I137-Y174 HydrophobicContact CD1-CE1 3.75Å; I137-Y174 HydrophobicContact CG1-CE1 4.48Å; I137-Y174 HydrophobicContact CG2-CD1 4.07Å; I137-Y174 HydrophobicContact CG2-CE1 4.39Å; I137-Y174 CarbonylContact O-C 3.57Å; I137-Y174 WeakPolarHBondContact O-CA 3.49Å; I137-A175 PolarHBondContact O-N 2.63Å |
| 138 | N | 96.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 162.6 | -174.7 | -167.6 | 22.5 | 0 | 0 | 0 | 112.2 | H26 V108 V109 A111 V136 A175 A177 | H26-N138 PolarHBondContact O-ND2 2.88Å; V108-N138 HydrophobicContact CG1-CB 3.85Å; V109-N138 PolarHBondContact O-N 3.01Å; A111-N138 VanDerWaalsContact CB-O 3.28Å; A111-N138 WeakPolarHBondContact CB-O 3.49Å; A111-N138 PolarHBondContact N-O 2.74Å; V136-N138 PolarHBondContact O-N 2.82Å; N138-A175 CarbonylContact C-O 3.47Å; N138-A175 VanDerWaalsContact CA-O 3.25Å; N138-A175 WeakPolarHBondContact CA-O 3.3Å; N138-A175 PolarHBondContact OD1-O 2.88Å; N138-A177 WeakPolarHBondContact OD1-CB 3.47Å; N138-A177 PolarHBondContact OD1-N 3Å |
| 139 | K | 94.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | trans | 60.9 | 38.1 | -178.2 | -50 | -162.1 | -154.6 | 141.2 | 0 | 114 | D25 D110 D141 R142 A175 | D25-K139 WeakPolarHBondContact O-CE 3.35Å; D25-K139 PolarHBondContact O-NZ 3.35Å; D110-K139 VanDerWaalsContact OD2-CD 3.25Å; D110-K139 WeakPolarHBondContact OD2-CD 3.31Å; D110-K139 VanDerWaalsContact OD2-CE 3.3Å; D110-K139 WeakPolarHBondContact OD2-CE 3.23Å; D110-K139 IonicContact OD2-NZ 3.28Å; D110-K139 PolarHBondContact OD2-NZ 2.81Å; K139-D141 WeakPolarHBondContact CA-OD1 3.37Å; K139-D141 PolarHBondContact O-N 3.49Å; K139-R142 HydrophobicContact CB-CB 4.33Å; K139-R142 WeakPolarHBondContact O-CB 3.36Å; K139-R142 PolarHBondContact O-N 2.61Å; K139-A175 PolarHBondContact N-O 3.12Å | ||
| 140 | V | 94.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | 173.1 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | A111 I137 R142 P147 Y174 A175 H186 M189 | A111-V140 HydrophobicContact CB-CG1 4.01Å; I137-V140 HydrophobicContact CG2-CG1 4.18Å; I137-V140 WeakPolarHBondContact O-CG1 3.17Å; V140-R142 PolarHBondContact O-N 3.42Å; V140-P147 HydrophobicContact CG1-CG 4.34Å; V140-Y174 HydrophobicContact CG1-CD1 4.13Å; V140-A175 PolarHBondContact N-O 3.13Å; V140-H186 HydrophobicContact CG1-CB 4.45Å; V140-M189 HydrophobicContact CG2-CE 3.73Å; V140-M189 HydrophobicContact CG2-SD 3.57Å; V140-M189 VanDerWaalsContact CG2-SD 3.57Å |
| 141 | D | 91.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.353 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.1 | 172.9 | 59.5 | -71.2 | 0 | 0 | 0 | 114.2 | K139 S176 | K139-D141 WeakPolarHBondContact CA-OD1 3.37Å; K139-D141 PolarHBondContact O-N 3.49Å; D141-S176 WeakPolarHBondContact OD1-CB 3.46Å; D141-S176 PolarHBondContact OD1-OG 3.3Å |
| 142 | R | 90.3 | Very high | 93.5 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -75 | 133.8 | -175.1 | -165.7 | 178.8 | -149.3 | 178.8 | -1 | 111.5 | D110 K139 V140 G144 A145 | D110-R142 IonicContact OD1-NH1 2.95Å; D110-R142 IonicContact OD2-NH1 3.95Å; D110-R142 PolarHBondContact OD2-NH1 3.43Å; K139-R142 HydrophobicContact CB-CB 4.33Å; K139-R142 WeakPolarHBondContact O-CB 3.36Å; K139-R142 PolarHBondContact O-N 2.61Å; V140-R142 PolarHBondContact O-N 3.42Å; R142-G144 PolarHBondContact O-N 2.77Å; R142-A145 VanDerWaalsContact O-CB 3.27Å; R142-A145 WeakPolarHBondContact O-CB 3.41Å; R142-A145 PolarHBondContact O-N 2.85Å; R142-A145 VanDerWaalsContact O-N 3.07Å |
| 143 | P | 87.9 | Confident | 93.3 | Very high | 124 Ų | 124 | 43 Ų | 43 | 81% | 0.805 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 128.2 | 171.4 | -24.6 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 144 | G | 89.4 | Confident | 93.1 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 57% | 0.567 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89 | -0.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | F112 R142 R146 | F112-G144 VanDerWaalsContact CD2-O 3.29Å; F112-G144 WeakPolarHBondContact CD2-O 3.47Å; R142-G144 PolarHBondContact O-N 2.77Å; G144-R146 PolarHBondContact O-N 3.07Å |
| 145 | A | 90.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 47 Ų | 47 | 24% | 0.24 | 25% | 0.25 | C | S | . | . | trans | -50 | 140.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A111 R142 | A111-A145 HydrophobicContact CB-CB 3.9Å; R142-A145 VanDerWaalsContact O-CB 3.27Å; R142-A145 WeakPolarHBondContact O-CB 3.41Å; R142-A145 PolarHBondContact O-N 2.85Å; R142-A145 VanDerWaalsContact O-N 3.07Å | ||
| 146 | R | 93.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | trans | -134.4 | 64.9 | -175.9 | 48.5 | 174.6 | 174.2 | 161.8 | -1.5 | 109.9 | A111 F112 G144 D148 W149 V150 | A111-R146 CarbonylContact O-C 3.59Å; A111-R146 WeakPolarHBondContact O-CG 3.37Å; A111-R146 PolarHBondContact O-N 3.31Å; F112-R146 VanDerWaalsContact O-CZ 3.26Å; F112-R146 PolarHBondContact O-NE 2.78Å; F112-R146 PolarHBondContact O-NH2 3.14Å; G144-R146 PolarHBondContact O-N 3.07Å; R146-D148 PolarHBondContact O-N 3.03Å; R146-W149 HydrophobicContact CB-CB 4.12Å; R146-W149 VanDerWaalsContact CD-CE3 3.47Å; R146-W149 HydrophobicContact CG-CB 4.31Å; R146-W149 HydrophobicContact CG-CE3 3.98Å; R146-W149 VanDerWaalsContact CZ-CH2 3.4Å; R146-W149 VanDerWaalsContact NE-CE3 3.29Å; R146-W149 VanDerWaalsContact NH1-CD2 3.27Å; R146-W149 VanDerWaalsContact NH1-CE3 3.35Å; R146-W149 VanDerWaalsContact NH1-CH2 3.27Å; R146-W149 VanDerWaalsContact NH2-CH2 3.35Å; R146-W149 VanDerWaalsContact NH2-CZ3 3.26Å; R146-W149 PolarHBondContact O-N 3.48Å; R146-V150 HydrophobicContact CG-CG2 4.45Å; R146-V150 WeakPolarHBondContact O-CG2 3.32Å; R146-V150 PolarHBondContact O-N 2.88Å | ||
| 147 | P | 93.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.4 | -46 | -170.3 | -21.9 | 33.6 | 0 | 0 | 0 | 112.8 | I137 V140 W149 V150 V151 Y174 H186 | I137-P147 HydrophobicContact CG2-CB 4.35Å; V140-P147 HydrophobicContact CG1-CG 4.34Å; P147-W149 PolarHBondContact O-N 3.02Å; P147-V150 WeakPolarHBondContact O-CA 3.43Å; P147-V150 WeakPolarHBondContact O-CB 3.48Å; P147-V150 PolarHBondContact O-N 3.38Å; P147-V151 WeakPolarHBondContact O-CG2 3.22Å; P147-V151 PolarHBondContact O-N 2.91Å; P147-Y174 HydrophobicContact CB-CD1 3.97Å; P147-Y174 HydrophobicContact CB-CE1 3.56Å; P147-H186 HydrophobicContact CG-CB 4.42Å |
| 148 | D | 93.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 51 Ų | 51 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.9 | -46.8 | 178 | -61.8 | -12.9 | 0 | 0 | 0 | 112.8 | R146 V150 V151 D152 H186 | R146-D148 PolarHBondContact O-N 3.03Å; D148-V150 VanDerWaalsContact C-N 3.27Å; D148-V150 PolarHBondContact O-N 2.75Å; D148-V151 WeakPolarHBondContact O-CB 3.32Å; D148-V151 PolarHBondContact O-N 2.92Å; D148-D152 PolarHBondContact O-N 3.06Å; D148-D152 VanDerWaalsContact O-N 3.15Å; D148-H186 IonicContact OD1-NE2 3.39Å |
| 149 | W | 93.3 | Very high | 90.7 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 31% | 0.311 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.6 | 176.5 | 84 | 0 | 0 | 0 | 111.3 | R146 P147 D152 Q153 | R146-W149 HydrophobicContact CB-CB 4.12Å; R146-W149 VanDerWaalsContact CD-CE3 3.47Å; R146-W149 HydrophobicContact CG-CB 4.31Å; R146-W149 HydrophobicContact CG-CE3 3.98Å; R146-W149 VanDerWaalsContact CZ-CH2 3.4Å; R146-W149 VanDerWaalsContact NE-CE3 3.29Å; R146-W149 VanDerWaalsContact NH1-CD2 3.27Å; R146-W149 VanDerWaalsContact NH1-CE3 3.35Å; R146-W149 VanDerWaalsContact NH1-CH2 3.27Å; R146-W149 VanDerWaalsContact NH2-CH2 3.35Å; R146-W149 VanDerWaalsContact NH2-CZ3 3.26Å; R146-W149 PolarHBondContact O-N 3.48Å; P147-W149 PolarHBondContact O-N 3.02Å; W149-D152 PolarHBondContact O-N 3.08Å; W149-Q153 HydrophobicContact CD2-CG 3.92Å; W149-Q153 HydrophobicContact CE3-CG 4.04Å; W149-Q153 HydrophobicContact CH2-CG 3.64Å; W149-Q153 HydrophobicContact CZ2-CG 3.48Å; W149-Q153 VanDerWaalsContact CZ2-CG 3.48Å; W149-Q153 HydrophobicContact CZ3-CG 3.9Å; W149-Q153 WeakPolarHBondContact O-CG 3.49Å; W149-Q153 PolarHBondContact O-N 3.21Å; W149-Q153 VanDerWaalsContact O-N 3.1Å |
| 150 | V | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V109 A111 I137 R146 P147 D148 D152 Q153 V154 | V109-V150 HydrophobicContact CB-CG1 4.27Å; V109-V150 HydrophobicContact CG1-CG1 3.5Å; A111-V150 WeakPolarHBondContact O-CG2 3.33Å; I137-V150 HydrophobicContact CD1-CB 4.46Å; I137-V150 HydrophobicContact CD1-CG1 4.1Å; I137-V150 HydrophobicContact CG1-CG1 4.23Å; I137-V150 HydrophobicContact CG2-CG1 4.45Å; R146-V150 HydrophobicContact CG-CG2 4.45Å; R146-V150 WeakPolarHBondContact O-CG2 3.32Å; R146-V150 PolarHBondContact O-N 2.88Å; P147-V150 WeakPolarHBondContact O-CA 3.43Å; P147-V150 WeakPolarHBondContact O-CB 3.48Å; P147-V150 PolarHBondContact O-N 3.38Å; D148-V150 VanDerWaalsContact C-N 3.27Å; D148-V150 PolarHBondContact O-N 2.75Å; V150-D152 VanDerWaalsContact C-N 3.35Å; V150-D152 PolarHBondContact O-N 3.47Å; V150-Q153 PolarHBondContact O-N 3.24Å; V150-V154 HydrophobicContact CG1-CG2 4.27Å; V150-V154 WeakPolarHBondContact O-CG2 2.9Å; V150-V154 PolarHBondContact O-N 3.12Å |
| 151 | V | 94.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -50.4 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | I137 P147 D148 Q153 V154 F155 I172 Y174 | I137-V151 HydrophobicContact CD1-CB 4.44Å; I137-V151 HydrophobicContact CD1-CG2 3.31Å; P147-V151 WeakPolarHBondContact O-CG2 3.22Å; P147-V151 PolarHBondContact O-N 2.91Å; D148-V151 WeakPolarHBondContact O-CB 3.32Å; D148-V151 PolarHBondContact O-N 2.92Å; V151-Q153 VanDerWaalsContact C-N 3.3Å; V151-Q153 PolarHBondContact O-N 3.29Å; V151-V154 PolarHBondContact O-N 2.97Å; V151-V154 VanDerWaalsContact O-N 3.13Å; V151-F155 PolarHBondContact O-N 2.97Å; V151-I172 HydrophobicContact CG1-CD1 3.61Å; V151-I172 HydrophobicContact CG2-CD1 4.04Å; V151-I172 HydrophobicContact CG2-CG2 4.33Å; V151-Y174 HydrophobicContact CG2-CE1 4.49Å |
| 152 | D | 92.1 | Very high | 88.8 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 178 | -70.6 | -25.4 | 0 | 0 | 0 | 111.4 | D148 W149 V150 V154 F155 D156 | D148-D152 PolarHBondContact O-N 3.06Å; D148-D152 VanDerWaalsContact O-N 3.15Å; W149-D152 PolarHBondContact O-N 3.08Å; V150-D152 VanDerWaalsContact C-N 3.35Å; V150-D152 PolarHBondContact O-N 3.47Å; D152-V154 PolarHBondContact O-N 3.31Å; D152-F155 PolarHBondContact O-N 3.32Å; D152-D156 PolarHBondContact O-N 3.29Å |
| 153 | Q | 88.5 | Confident | 88.4 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 178.3 | -67.1 | -54.7 | -80.2 | 0 | 0 | 113.6 | P115 W149 V150 V151 D156 L157 | P115-Q153 HydrophobicContact CG-CB 3.8Å; W149-Q153 HydrophobicContact CD2-CG 3.92Å; W149-Q153 HydrophobicContact CE3-CG 4.04Å; W149-Q153 HydrophobicContact CH2-CG 3.64Å; W149-Q153 HydrophobicContact CZ2-CG 3.48Å; W149-Q153 VanDerWaalsContact CZ2-CG 3.48Å; W149-Q153 HydrophobicContact CZ3-CG 3.9Å; W149-Q153 WeakPolarHBondContact O-CG 3.49Å; W149-Q153 PolarHBondContact O-N 3.21Å; W149-Q153 VanDerWaalsContact O-N 3.1Å; V150-Q153 PolarHBondContact O-N 3.24Å; V151-Q153 VanDerWaalsContact C-N 3.3Å; V151-Q153 PolarHBondContact O-N 3.29Å; Q153-D156 PolarHBondContact NE2-OD2 3.07Å; Q153-L157 WeakPolarHBondContact O-CB 3.47Å; Q153-L157 PolarHBondContact O-N 3.5Å |
| 154 | V | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L107 V109 P115 V135 V150 V151 D152 L157 F158 F170 | L107-V154 HydrophobicContact CD2-CG1 4.38Å; V109-V154 HydrophobicContact CB-CG2 4.47Å; V109-V154 HydrophobicContact CG1-CG2 4.21Å; V109-V154 HydrophobicContact CG2-CG2 3.92Å; P115-V154 HydrophobicContact CB-CG2 4.2Å; P115-V154 HydrophobicContact CG-CG2 4.06Å; V135-V154 HydrophobicContact CG1-CG1 4.12Å; V135-V154 HydrophobicContact CG1-CG2 4.46Å; V135-V154 HydrophobicContact CG2-CG1 3.88Å; V150-V154 HydrophobicContact CG1-CG2 4.27Å; V150-V154 WeakPolarHBondContact O-CG2 2.9Å; V150-V154 PolarHBondContact O-N 3.12Å; V151-V154 PolarHBondContact O-N 2.97Å; V151-V154 VanDerWaalsContact O-N 3.13Å; D152-V154 PolarHBondContact O-N 3.31Å; V154-L157 WeakPolarHBondContact O-CB 3.21Å; V154-L157 PolarHBondContact O-N 3.04Å; V154-F158 HydrophobicContact CG1-CD1 4.36Å; V154-F158 HydrophobicContact CG1-CE1 3.92Å; V154-F158 HydrophobicContact CG1-CE2 4.23Å; V154-F158 HydrophobicContact CG1-CZ 3.86Å; V154-F158 WeakPolarHBondContact O-CD1 3.13Å; V154-F158 PolarHBondContact O-N 3.49Å; V154-F170 HydrophobicContact CG1-CE2 4.34Å; V154-F170 HydrophobicContact CG1-CZ 4.13Å |
| 155 | F | 90.6 | Very high | 88.2 | Confident | 88 Ų | 88 | 58 Ų | 58 | 39% | 0.386 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174.2 | -170.4 | -89.8 | 0 | 0 | 0 | 111.3 | V151 D152 L157 F158 V159 L168 F170 | V151-F155 PolarHBondContact O-N 2.97Å; D152-F155 PolarHBondContact O-N 3.32Å; F155-L157 PolarHBondContact O-N 2.93Å; F155-F158 PolarHBondContact O-N 2.65Å; F155-V159 HydrophobicContact CD1-CG2 4.01Å; F155-V159 HydrophobicContact CE1-CG2 3.68Å; F155-V159 HydrophobicContact CZ-CG2 4.26Å; F155-V159 WeakPolarHBondContact O-CG2 3.26Å; F155-V159 PolarHBondContact O-N 2.88Å; F155-L168 HydrophobicContact CD2-CD2 4.43Å; F155-L168 HydrophobicContact CE2-CB 4.37Å; F155-L168 HydrophobicContact CE2-CD2 4.03Å; F155-L168 HydrophobicContact CZ-CD2 4.27Å; F155-F170 HydrophobicContact CD2-CE1 4.28Å |
| 156 | D | 85.4 | Confident | 88 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 174.2 | -77.2 | -20 | 0 | 0 | 0 | 111.8 | D152 Q153 N160 | D152-D156 PolarHBondContact O-N 3.29Å; Q153-D156 PolarHBondContact NE2-OD2 3.07Å; D156-N160 WeakPolarHBondContact O-CB 3.44Å; D156-N160 VanDerWaalsContact O-CG 3.26Å; D156-N160 PolarHBondContact O-N 3.35Å; D156-N160 PolarHBondContact O-ND2 3.18Å |
| 157 | L | 85.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.1 | 168.2 | 62.8 | 0 | 0 | 0 | 110.9 | P115 R120 Q153 V154 F155 N160 L161 | P115-L157 HydrophobicContact CB-CD2 3.79Å; R120-L157 HydrophobicContact CB-CD1 4.32Å; R120-L157 HydrophobicContact CG-CD1 3.54Å; R120-L157 HydrophobicContact CG-CD2 4.49Å; R120-L157 VanDerWaalsContact NH1-CD1 3.27Å; Q153-L157 WeakPolarHBondContact O-CB 3.47Å; Q153-L157 PolarHBondContact O-N 3.5Å; V154-L157 WeakPolarHBondContact O-CB 3.21Å; V154-L157 PolarHBondContact O-N 3.04Å; F155-L157 PolarHBondContact O-N 2.93Å; L157-N160 PolarHBondContact O-N 3.21Å; L157-L161 HydrophobicContact CD1-CD1 3.77Å; L157-L161 HydrophobicContact CD1-CG 3.91Å; L157-L161 HydrophobicContact CG-CD1 4.08Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.13Å; L157-L161 VanDerWaalsContact O-N 3.08Å |
| 158 | F | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | -176.3 | -72.9 | 7.2 | 0 | 0 | 0 | 111.8 | L107 T123 F127 P133 V135 V154 F155 N160 L161 D162 A163 L168 F170 | L107-F158 HydrophobicContact CD2-CE1 3.56Å; L107-F158 HydrophobicContact CD2-CZ 3.69Å; T123-F158 HydrophobicContact CG2-CD1 4.31Å; T123-F158 HydrophobicContact CG2-CE1 3.83Å; F127-F158 HydrophobicContact CE2-CB 4.14Å; F127-F158 AromaticContact CE2-CD1 3.74Å; F127-F158 HydrophobicContact CE2-CD1 3.74Å; F127-F158 HydrophobicContact CE2-CD2 4.42Å; F127-F158 HydrophobicContact CE2-CE1 4.24Å; F127-F158 AromaticContact CE2-CG 3.85Å; F127-F158 HydrophobicContact CE2-CG 3.85Å; F127-F158 HydrophobicContact CZ-CB 4.34Å; F127-F158 AromaticContact CZ-CD1 3.54Å; F127-F158 HydrophobicContact CZ-CD1 3.54Å; F127-F158 AromaticContact CZ-CD2 3.79Å; F127-F158 HydrophobicContact CZ-CD2 3.79Å; F127-F158 AromaticContact CZ-CE1 3.65Å; F127-F158 HydrophobicContact CZ-CE1 3.65Å; F127-F158 AromaticContact CZ-CE2 3.9Å; F127-F158 HydrophobicContact CZ-CE2 3.9Å; F127-F158 AromaticContact CZ-CG 3.62Å; F127-F158 HydrophobicContact CZ-CG 3.62Å; F127-F158 AromaticContact CZ-CZ 3.83Å; F127-F158 HydrophobicContact CZ-CZ 3.83Å; P133-F158 HydrophobicContact CB-CE2 3.95Å; P133-F158 HydrophobicContact CB-CZ 3.92Å; P133-F158 HydrophobicContact CG-CD2 4.25Å; P133-F158 HydrophobicContact CG-CE2 3.43Å; P133-F158 VanDerWaalsContact CG-CE2 3.43Å; P133-F158 HydrophobicContact CG-CZ 3.9Å; V135-F158 HydrophobicContact CG2-CE2 4.04Å; V135-F158 HydrophobicContact CG2-CZ 3.86Å; V154-F158 HydrophobicContact CG1-CD1 4.36Å; V154-F158 HydrophobicContact CG1-CE1 3.92Å; V154-F158 HydrophobicContact CG1-CE2 4.23Å; V154-F158 HydrophobicContact CG1-CZ 3.86Å; V154-F158 WeakPolarHBondContact O-CD1 3.13Å; V154-F158 PolarHBondContact O-N 3.49Å; F155-F158 PolarHBondContact O-N 2.65Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.44Å; F158-L161 CarbonylContact O-C 3.23Å; F158-L161 PolarHBondContact O-N 3.23Å; F158-D162 PolarHBondContact O-N 3.31Å; F158-A163 HydrophobicContact CB-CB 3.92Å; F158-A163 VanDerWaalsContact O-CB 3.24Å; F158-A163 WeakPolarHBondContact O-CB 3.42Å; F158-A163 PolarHBondContact O-N 2.85Å; F158-A163 VanDerWaalsContact O-N 3.11Å; F158-L168 HydrophobicContact CB-CD2 3.84Å; F158-F170 AromaticContact CD2-CD1 3.55Å; F158-F170 HydrophobicContact CD2-CD1 3.55Å; F158-F170 AromaticContact CD2-CE1 3.4Å; F158-F170 HydrophobicContact CD2-CE1 3.4Å; F158-F170 VanDerWaalsContact CD2-CE1 3.4Å; F158-F170 HydrophobicContact CD2-CG 4.41Å; F158-F170 HydrophobicContact CD2-CZ 4.19Å; F158-F170 AromaticContact CE2-CD1 3.49Å; F158-F170 HydrophobicContact CE2-CD1 3.49Å; F158-F170 VanDerWaalsContact CE2-CD1 3.49Å; F158-F170 HydrophobicContact CE2-CD2 4.41Å; F158-F170 AromaticContact CE2-CE1 3.62Å; F158-F170 HydrophobicContact CE2-CE1 3.62Å; F158-F170 AromaticContact CE2-CG 3.91Å; F158-F170 HydrophobicContact CE2-CG 3.91Å; F158-F170 HydrophobicContact CE2-CZ 4.14Å; F158-F170 HydrophobicContact CG-CE1 4.46Å |
| 159 | V | 82.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | F155 L161 D162 L168 | F155-V159 HydrophobicContact CD1-CG2 4.01Å; F155-V159 HydrophobicContact CE1-CG2 3.68Å; F155-V159 HydrophobicContact CZ-CG2 4.26Å; F155-V159 WeakPolarHBondContact O-CG2 3.26Å; F155-V159 PolarHBondContact O-N 2.88Å; V159-L161 PolarHBondContact O-N 2.84Å; V159-D162 PolarHBondContact O-N 2.6Å; V159-D162 VanDerWaalsContact O-N 3.15Å; V159-L168 HydrophobicContact CG2-CD2 3.99Å |
| 160 | N | 76.2 | Confident | 87.2 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.5 | -12.4 | 177.3 | -73.7 | -52.2 | 0 | 0 | 0 | 114.3 | D156 L157 F158 | D156-N160 WeakPolarHBondContact O-CB 3.44Å; D156-N160 VanDerWaalsContact O-CG 3.26Å; D156-N160 PolarHBondContact O-N 3.35Å; D156-N160 PolarHBondContact O-ND2 3.18Å; L157-N160 PolarHBondContact O-N 3.21Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.44Å |
| 161 | L | 80.9 | Confident | 87.3 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 11.3 | 175.7 | -69.4 | -176.2 | 0 | 0 | 0 | 112.4 | T123 K124 F127 L157 F158 V159 A163 | T123-L161 HydrophobicContact CG2-CD1 3.75Å; K124-L161 HydrophobicContact CB-CD1 4.37Å; K124-L161 HydrophobicContact CB-CD2 3.92Å; K124-L161 HydrophobicContact CD-CD2 4.18Å; K124-L161 HydrophobicContact CG-CD2 4.16Å; F127-L161 HydrophobicContact CD2-CB 3.93Å; F127-L161 HydrophobicContact CD2-CD1 4.38Å; F127-L161 HydrophobicContact CE2-CB 4.08Å; F127-L161 HydrophobicContact CE2-CD1 4.2Å; L157-L161 HydrophobicContact CD1-CD1 3.77Å; L157-L161 HydrophobicContact CD1-CG 3.91Å; L157-L161 HydrophobicContact CG-CD1 4.08Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.13Å; L157-L161 VanDerWaalsContact O-N 3.08Å; F158-L161 CarbonylContact O-C 3.23Å; F158-L161 PolarHBondContact O-N 3.23Å; V159-L161 PolarHBondContact O-N 2.84Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 2.87Å |
| 162 | D | 82.7 | Confident | 87.3 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 77% | 0.77 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 39.1 | -178.5 | -54.5 | -52.4 | 0 | 0 | 0 | 112.8 | F158 V159 | F158-D162 PolarHBondContact O-N 3.31Å; V159-D162 PolarHBondContact O-N 2.6Å; V159-D162 VanDerWaalsContact O-N 3.15Å |
| 163 | A | 82.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | trans | -59.4 | 142.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F127 F158 L161 Q167 L168 | F127-A163 HydrophobicContact CD2-CB 4.04Å; F127-A163 HydrophobicContact CE2-CB 3.79Å; F127-A163 HydrophobicContact CZ-CB 4.37Å; F158-A163 HydrophobicContact CB-CB 3.92Å; F158-A163 VanDerWaalsContact O-CB 3.24Å; F158-A163 WeakPolarHBondContact O-CB 3.42Å; F158-A163 PolarHBondContact O-N 2.85Å; F158-A163 VanDerWaalsContact O-N 3.11Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 2.87Å; A163-Q167 VanDerWaalsContact CA-OE1 3.3Å; A163-Q167 HydrophobicContact CB-CB 3.93Å; A163-L168 HydrophobicContact CB-CD2 4.07Å; A163-L168 HydrophobicContact CB-CG 4.17Å | ||
| 164 | T | 86.8 | Confident | 88 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -71.9 | 163.1 | 173.5 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | E166 Q167 L168 | T164-E166 PolarHBondContact O-N 3.39Å; T164-Q167 CarbonylContact O-C 3.48Å; T164-Q167 WeakPolarHBondContact O-CA 3.3Å; T164-Q167 WeakPolarHBondContact O-CB 3.46Å; T164-Q167 PolarHBondContact O-N 2.47Å; T164-Q167 VanDerWaalsContact OG1-CG 3.3Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.47Å; T164-Q167 PolarHBondContact OG1-N 3.29Å; T164-L168 PolarHBondContact O-N 3.44Å | ||
| 165 | D | 86.8 | Confident | 88.2 | Confident | 143 Ų | 143 | 56.1 Ų | 56.1 | 77% | 0.765 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.3 | -39.4 | 176.4 | -66.7 | -28.8 | 0 | 0 | 0 | 112.1 | Q167 L168 D169 | D165-Q167 VanDerWaalsContact C-N 3.26Å; D165-Q167 PolarHBondContact O-N 3Å; D165-L168 PolarHBondContact O-N 3.24Å; D165-D169 PolarHBondContact O-N 2.73Å; D165-D169 VanDerWaalsContact O-N 3.11Å |
| 166 | E | 86.6 | Confident | 88.5 | Confident | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.2 | -26.8 | 175.3 | -63.3 | -176.7 | -175.5 | 0 | 0 | 113.3 | T164 | T164-E166 PolarHBondContact O-N 3.39Å |
| 167 | Q | 87.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85 | -21.8 | 175.9 | -70.5 | 167.5 | -12.5 | 0 | 0 | 112.3 | F127 A163 T164 D165 F170 | F127-Q167 HydrophobicContact CD1-CG 4.33Å; F127-Q167 HydrophobicContact CE1-CB 4.47Å; F127-Q167 PolarHBondContact O-NE2 3.42Å; A163-Q167 VanDerWaalsContact CA-OE1 3.3Å; A163-Q167 HydrophobicContact CB-CB 3.93Å; T164-Q167 CarbonylContact O-C 3.48Å; T164-Q167 WeakPolarHBondContact O-CA 3.3Å; T164-Q167 WeakPolarHBondContact O-CB 3.46Å; T164-Q167 PolarHBondContact O-N 2.47Å; T164-Q167 VanDerWaalsContact OG1-CG 3.3Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.47Å; T164-Q167 PolarHBondContact OG1-N 3.29Å; D165-Q167 VanDerWaalsContact C-N 3.26Å; D165-Q167 PolarHBondContact O-N 3Å; Q167-F170 VanDerWaalsContact O-CD1 3.32Å; Q167-F170 WeakPolarHBondContact O-CD1 3.37Å |
| 168 | L | 87.6 | Confident | 88.9 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80.6 | -21.9 | 172.6 | -68.8 | 173.2 | 0 | 0 | 0 | 112.3 | F155 F158 V159 A163 T164 D165 F170 | F155-L168 HydrophobicContact CD2-CD2 4.43Å; F155-L168 HydrophobicContact CE2-CB 4.37Å; F155-L168 HydrophobicContact CE2-CD2 4.03Å; F155-L168 HydrophobicContact CZ-CD2 4.27Å; F158-L168 HydrophobicContact CB-CD2 3.84Å; V159-L168 HydrophobicContact CG2-CD2 3.99Å; A163-L168 HydrophobicContact CB-CD2 4.07Å; A163-L168 HydrophobicContact CB-CG 4.17Å; T164-L168 PolarHBondContact O-N 3.44Å; D165-L168 PolarHBondContact O-N 3.24Å; L168-F170 VanDerWaalsContact C-N 3.34Å; L168-F170 VanDerWaalsContact O-CD1 3.25Å; L168-F170 WeakPolarHBondContact O-CD1 3.4Å; L168-F170 PolarHBondContact O-N 3.28Å |
| 169 | D | 89.1 | Confident | 88.9 | Confident | 142 Ų | 142 | 58.4 Ų | 58.4 | 76% | 0.759 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -89.4 | 66.5 | 170.9 | -168.3 | 26.9 | 0 | 0 | 0 | 111.3 | D165 | D165-D169 PolarHBondContact O-N 2.73Å; D165-D169 VanDerWaalsContact O-N 3.11Å |
| 170 | F | 91.7 | Very high | 89.4 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | trans | -100.8 | 141 | -176.9 | 56.9 | -93.5 | 0 | 0 | 0 | 112.4 | P133 V135 V154 F155 F158 Q167 L168 I172 | P133-F170 HydrophobicContact CG-CB 3.96Å; P133-F170 WeakPolarHBondContact O-CB 3.07Å; V135-F170 HydrophobicContact CB-CD2 3.86Å; V135-F170 HydrophobicContact CB-CE2 4.02Å; V135-F170 HydrophobicContact CG2-CD2 3.35Å; V135-F170 HydrophobicContact CG2-CE2 3.56Å; V135-F170 HydrophobicContact CG2-CG 4.07Å; V135-F170 HydrophobicContact CG2-CZ 4.41Å; V154-F170 HydrophobicContact CG1-CE2 4.34Å; V154-F170 HydrophobicContact CG1-CZ 4.13Å; F155-F170 HydrophobicContact CD2-CE1 4.28Å; F158-F170 AromaticContact CD2-CD1 3.55Å; F158-F170 HydrophobicContact CD2-CD1 3.55Å; F158-F170 AromaticContact CD2-CE1 3.4Å; F158-F170 HydrophobicContact CD2-CE1 3.4Å; F158-F170 VanDerWaalsContact CD2-CE1 3.4Å; F158-F170 HydrophobicContact CD2-CG 4.41Å; F158-F170 HydrophobicContact CD2-CZ 4.19Å; F158-F170 AromaticContact CE2-CD1 3.49Å; F158-F170 HydrophobicContact CE2-CD1 3.49Å; F158-F170 VanDerWaalsContact CE2-CD1 3.49Å; F158-F170 HydrophobicContact CE2-CD2 4.41Å; F158-F170 AromaticContact CE2-CE1 3.62Å; F158-F170 HydrophobicContact CE2-CE1 3.62Å; F158-F170 AromaticContact CE2-CG 3.91Å; F158-F170 HydrophobicContact CE2-CG 3.91Å; F158-F170 HydrophobicContact CE2-CZ 4.14Å; F158-F170 HydrophobicContact CG-CE1 4.46Å; Q167-F170 VanDerWaalsContact O-CD1 3.32Å; Q167-F170 WeakPolarHBondContact O-CD1 3.37Å; L168-F170 VanDerWaalsContact C-N 3.34Å; L168-F170 VanDerWaalsContact O-CD1 3.25Å; L168-F170 WeakPolarHBondContact O-CD1 3.4Å; L168-F170 PolarHBondContact O-N 3.28Å; F170-I172 HydrophobicContact CD2-CG1 3.87Å; F170-I172 HydrophobicContact CE2-CD1 4Å; F170-I172 HydrophobicContact CE2-CG1 3.68Å | ||
| 171 | P | 94.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | trans | -68.2 | 138.6 | 171.6 | 30.4 | -36.9 | 0 | 0 | 0 | 110.8 | I134 V135 H203 | I134-P171 HydrophobicContact CB-CG 4.12Å; I134-P171 HydrophobicContact CD1-CG 4.47Å; I134-P171 HydrophobicContact CG1-CG 3.74Å; I134-P171 HydrophobicContact CG2-CG 4.02Å; V135-P171 PolarHBondContact N-O 3.41Å; P171-H203 HydrophobicContact CG-CB 3.98Å | ||
| 172 | I | 96 | Very high | 91.1 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.1 | 174.9 | -57.7 | 171 | 0 | 0 | 0 | 108 | I137 V151 F170 Y174 | I137-I172 HydrophobicContact CD1-CG2 4.04Å; I137-I172 HydrophobicContact CG1-CG2 4.48Å; V151-I172 HydrophobicContact CG1-CD1 3.61Å; V151-I172 HydrophobicContact CG2-CD1 4.04Å; V151-I172 HydrophobicContact CG2-CG2 4.33Å; F170-I172 HydrophobicContact CD2-CG1 3.87Å; F170-I172 HydrophobicContact CE2-CD1 4Å; F170-I172 HydrophobicContact CE2-CG1 3.68Å; I172-Y174 HydrophobicContact CG2-CE1 4.2Å; I172-Y174 HydrophobicContact CG2-CE2 4.1Å |
| 173 | V | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | V135 V136 I137 A182 L184 L196 A199 | V135-V173 PolarHBondContact O-N 3.14Å; V136-V173 CarbonylContact C-O 3.16Å; V136-V173 VanDerWaalsContact CA-O 3.23Å; V136-V173 WeakPolarHBondContact CA-O 3.47Å; I137-V173 PolarHBondContact N-O 2.89Å; V173-A182 HydrophobicContact CG1-CB 4.08Å; V173-L184 HydrophobicContact CG2-CD2 4.22Å; V173-L196 HydrophobicContact CB-CD1 4.18Å; V173-L196 HydrophobicContact CG1-CB 4.09Å; V173-L196 HydrophobicContact CG1-CD1 4.07Å; V173-L196 HydrophobicContact CG2-CD1 4.16Å; V173-A199 HydrophobicContact CG2-CB 3.65Å |
| 174 | Y | 97.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138 | 171.3 | -58.7 | -77.6 | 0 | 0 | 0 | 109.3 | I137 V140 P147 V151 I172 A182 G183 L184 H186 | I137-Y174 HydrophobicContact CB-CD1 3.83Å; I137-Y174 HydrophobicContact CB-CE1 4.19Å; I137-Y174 HydrophobicContact CD1-CD1 4.29Å; I137-Y174 HydrophobicContact CD1-CE1 3.75Å; I137-Y174 HydrophobicContact CG1-CE1 4.48Å; I137-Y174 HydrophobicContact CG2-CD1 4.07Å; I137-Y174 HydrophobicContact CG2-CE1 4.39Å; I137-Y174 CarbonylContact O-C 3.57Å; I137-Y174 WeakPolarHBondContact O-CA 3.49Å; V140-Y174 HydrophobicContact CG1-CD1 4.13Å; P147-Y174 HydrophobicContact CB-CD1 3.97Å; P147-Y174 HydrophobicContact CB-CE1 3.56Å; V151-Y174 HydrophobicContact CG2-CE1 4.49Å; I172-Y174 HydrophobicContact CG2-CE1 4.2Å; I172-Y174 HydrophobicContact CG2-CE2 4.1Å; Y174-A182 CarbonylContact O-C 3.58Å; Y174-A182 WeakPolarHBondContact O-CA 3.19Å; Y174-G183 PolarHBondContact N-O 3.15Å; Y174-G183 PolarHBondContact O-N 2.9Å; Y174-L184 WeakPolarHBondContact CD2-O 3.38Å; Y174-L184 VanDerWaalsContact CE2-O 3.29Å; Y174-L184 WeakPolarHBondContact CE2-O 3.46Å; Y174-H186 HydrophobicContact CD1-CB 3.87Å; Y174-H186 HydrophobicContact CD2-CB 4.15Å; Y174-H186 HydrophobicContact CE1-CB 4.41Å; Y174-H186 HydrophobicContact CG-CB 3.71Å |
| 175 | A | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L31 V136 I137 N138 K139 V140 I181 A182 | L31-A175 HydrophobicContact CD1-CB 4.34Å; V136-A175 HydrophobicContact CG1-CB 3.71Å; I137-A175 PolarHBondContact O-N 2.63Å; N138-A175 CarbonylContact C-O 3.47Å; N138-A175 VanDerWaalsContact CA-O 3.25Å; N138-A175 WeakPolarHBondContact CA-O 3.3Å; N138-A175 PolarHBondContact OD1-O 2.88Å; K139-A175 PolarHBondContact N-O 3.12Å; V140-A175 PolarHBondContact N-O 3.13Å; A175-I181 WeakPolarHBondContact CA-O 3.21Å; A175-A182 HydrophobicContact CB-CB 4.49Å |
| 176 | S | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 95.3 | 161.8 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | D141 L178 N179 G180 I181 | D141-S176 WeakPolarHBondContact OD1-CB 3.46Å; D141-S176 PolarHBondContact OD1-OG 3.3Å; S176-L178 PolarHBondContact O-N 2.64Å; S176-N179 PolarHBondContact O-N 2.9Å; S176-N179 PolarHBondContact OG-N 2.94Å; S176-N179 PolarHBondContact OG-ND2 3.26Å; S176-G180 WeakPolarHBondContact O-CA 3.5Å; S176-G180 PolarHBondContact O-N 3.26Å; S176-I181 PolarHBondContact N-O 3.36Å; S176-I181 PolarHBondContact O-N 3.05Å |
| 177 | A | 89.3 | Confident | 92.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T30 L31 K34 N138 | T30-A177 HydrophobicContact CG2-CB 3.81Å; L31-A177 HydrophobicContact CB-CB 4.29Å; L31-A177 HydrophobicContact CD1-CB 4.29Å; K34-A177 WeakPolarHBondContact CE-O 3.41Å; K34-A177 WeakPolarHBondContact CG-O 3.35Å; N138-A177 WeakPolarHBondContact OD1-CB 3.47Å; N138-A177 PolarHBondContact OD1-N 3Å |
| 178 | L | 89.5 | Confident | 93.1 | Very high | 121 Ų | 121 | 52.2 Ų | 52.2 | 63% | 0.634 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -52.9 | 173.8 | 179.5 | 62.8 | 0 | 0 | 0 | 110.9 | S176 | S176-L178 PolarHBondContact O-N 2.64Š|
| 179 | N | 91.2 | Very high | 93.3 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -17.1 | -177.9 | -64.1 | -38.9 | 0 | 0 | 0 | 112.7 | S176 I181 | S176-N179 PolarHBondContact O-N 2.9Å; S176-N179 PolarHBondContact OG-N 2.94Å; S176-N179 PolarHBondContact OG-ND2 3.26Å; N179-I181 HydrophobicContact CB-CD1 4.03Å; N179-I181 HydrophobicContact CB-CG1 3.96Å; N179-I181 HydrophobicContact CB-CG2 4.43Å |
| 180 | G | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 35.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q38 S176 D192 M193 | Q38-G180 PolarHBondContact NE2-O 3.44Å; S176-G180 WeakPolarHBondContact O-CA 3.5Å; S176-G180 PolarHBondContact O-N 3.26Å; G180-D192 CarbonylContact O-C 3.53Å; G180-D192 WeakPolarHBondContact O-CA 3.27Å; G180-M193 VanDerWaalsContact C-SD 3.54Å; G180-M193 PolarHBondContact O-N 3.06Å |
| 181 | I | 95.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.9 | -178 | 61.7 | -179.8 | 0 | 0 | 0 | 110.9 | A175 S176 N179 M189 A190 | A175-I181 WeakPolarHBondContact CA-O 3.21Å; S176-I181 PolarHBondContact N-O 3.36Å; S176-I181 PolarHBondContact O-N 3.05Å; N179-I181 HydrophobicContact CB-CD1 4.03Å; N179-I181 HydrophobicContact CB-CG1 3.96Å; N179-I181 HydrophobicContact CB-CG2 4.43Å; I181-M189 HydrophobicContact CD1-CB 4.44Å; I181-M189 HydrophobicContact CD1-CE 3.54Å; I181-M189 HydrophobicContact CD1-SD 4Å; I181-M189 HydrophobicContact CG1-CE 4.21Å; I181-M189 HydrophobicContact CG1-SD 4.03Å; I181-A190 VanDerWaalsContact CB-O 3.3Å; I181-A190 WeakPolarHBondContact CB-O 3.4Å; I181-A190 WeakPolarHBondContact CG2-O 3.39Å |
| 182 | A | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 160.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V173 Y174 A175 A190 D192 M193 P195 L196 | V173-A182 HydrophobicContact CG1-CB 4.08Å; Y174-A182 CarbonylContact O-C 3.58Å; Y174-A182 WeakPolarHBondContact O-CA 3.19Å; A175-A182 HydrophobicContact CB-CB 4.49Å; A182-A190 WeakPolarHBondContact O-CB 3.49Å; A182-A190 PolarHBondContact O-N 3.48Å; A182-D192 PolarHBondContact N-O 3.07Å; A182-M193 HydrophobicContact CB-CE 4.1Å; A182-M193 HydrophobicContact CB-SD 4.1Å; A182-P195 HydrophobicContact CB-CB 4.41Å; A182-P195 WeakPolarHBondContact O-CG 3.24Å; A182-L196 HydrophobicContact CB-CB 4.12Å |
| 183 | G | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 160.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y174 D185 | Y174-G183 PolarHBondContact N-O 3.15Å; Y174-G183 PolarHBondContact O-N 2.9Å; G183-D185 VanDerWaalsContact C-N 3.29Å |
| 184 | L | 93.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -83.3 | -13.7 | 169.3 | -58.5 | -179.4 | 0 | 0 | 0 | 111.8 | V173 Y174 | V173-L184 HydrophobicContact CG2-CD2 4.22Å; Y174-L184 WeakPolarHBondContact CD2-O 3.38Å; Y174-L184 VanDerWaalsContact CE2-O 3.29Å; Y174-L184 WeakPolarHBondContact CE2-O 3.46Å |
| 185 | D | 92.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -127.3 | 138.5 | 171.3 | -167.7 | -35.7 | 0 | 0 | 0 | 108 | G183 E187 D188 | G183-D185 VanDerWaalsContact C-N 3.29Å; D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact OD1-N 3.15Å; D185-D188 HydrophobicContact CB-CB 4.36Å; D185-D188 CarbonylContact O-C 3.53Å |
| 186 | H | 90 | Very high | 93.2 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -77.3 | -17.6 | 179.4 | 70.9 | 75.1 | 0 | 0 | 0 | 112.8 | V140 P147 D148 Y174 | V140-H186 HydrophobicContact CG1-CB 4.45Å; P147-H186 HydrophobicContact CG-CB 4.42Å; D148-H186 IonicContact OD1-NE2 3.39Å; Y174-H186 HydrophobicContact CD1-CB 3.87Å; Y174-H186 HydrophobicContact CD2-CB 4.15Å; Y174-H186 HydrophobicContact CE1-CB 4.41Å; Y174-H186 HydrophobicContact CG-CB 3.71Å |
| 187 | E | 90.4 | Very high | 93.2 | Very high | 163 Ų | 163 | 58.5 Ų | 58.5 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -87.6 | -20.1 | 175 | -56.6 | -164.5 | 156.2 | 0 | 0 | 112.6 | D185 | D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact OD1-N 3.15Å |
| 188 | D | 92.3 | Very high | 93.5 | Very high | 133 Ų | 133 | 62.1 Ų | 62.1 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -129.6 | 68.9 | -179.1 | -167.3 | 28.4 | 0 | 0 | 0 | 111 | D185 | D185-D188 HydrophobicContact CB-CB 4.36Å; D185-D188 CarbonylContact O-C 3.53Å |
| 189 | M | 91.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 27% | 0.271 | 29% | 0.294 | S | S | . | . | trans | -83.2 | 146.8 | 177.7 | -68.7 | -168.8 | -75.8 | 0 | 0 | 112 | V140 I181 | V140-M189 HydrophobicContact CG2-CE 3.73Å; V140-M189 HydrophobicContact CG2-SD 3.57Å; V140-M189 VanDerWaalsContact CG2-SD 3.57Å; I181-M189 HydrophobicContact CD1-CB 4.44Å; I181-M189 HydrophobicContact CD1-CE 3.54Å; I181-M189 HydrophobicContact CD1-SD 4Å; I181-M189 HydrophobicContact CG1-CE 4.21Å; I181-M189 HydrophobicContact CG1-SD 4.03Å | ||
| 190 | A | 94.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | trans | -70.4 | 167 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | I181 A182 D192 P195 | I181-A190 VanDerWaalsContact CB-O 3.3Å; I181-A190 WeakPolarHBondContact CB-O 3.4Å; I181-A190 WeakPolarHBondContact CG2-O 3.39Å; A182-A190 WeakPolarHBondContact O-CB 3.49Å; A182-A190 PolarHBondContact O-N 3.48Å; A190-D192 PolarHBondContact O-N 3.01Å; A190-P195 HydrophobicContact CB-CG 3.57Å | ||
| 191 | E | 92.5 | Very high | 94 | Very high | 192 Ų | 192 | 52.4 Ų | 52.4 | 90% | 0.897 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -78 | -1.7 | 177.5 | -63.1 | -174.5 | 169.1 | 0 | 0 | 113.6 | ||
| 192 | D | 93.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -150.2 | -174 | -178.1 | 67.7 | 15.1 | 0 | 0 | 0 | 112.3 | G180 A182 A190 T194 | G180-D192 CarbonylContact O-C 3.53Å; G180-D192 WeakPolarHBondContact O-CA 3.27Å; A182-D192 PolarHBondContact N-O 3.07Å; A190-D192 PolarHBondContact O-N 3.01Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.67Å; D192-T194 WeakPolarHBondContact OD1-CA 3.4Å; D192-T194 WeakPolarHBondContact OD1-CB 3.38Å; D192-T194 PolarHBondContact OD1-N 3.46Å; D192-T194 PolarHBondContact OD1-OG1 2.96Å; D192-T194 PolarHBondContact OD2-OG1 2.64Å |
| 193 | M | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.4 | 8.3 | 178.5 | -59.6 | -62.5 | -61.9 | 0 | 0 | 113.4 | L31 K34 L35 Q38 G180 A182 P195 L196 Y197 | L31-M193 HydrophobicContact CD1-CE 3.41Å; L31-M193 VanDerWaalsContact CD1-CE 3.41Å; K34-M193 HydrophobicContact CB-CG 4.48Å; L35-M193 HydrophobicContact CD2-CB 3.85Å; L35-M193 HydrophobicContact CD2-CE 4.12Å; L35-M193 HydrophobicContact CD2-CG 4.29Å; Q38-M193 VanDerWaalsContact OE1-CG 3.27Å; G180-M193 VanDerWaalsContact C-SD 3.54Å; G180-M193 PolarHBondContact O-N 3.06Å; A182-M193 HydrophobicContact CB-CE 4.1Å; A182-M193 HydrophobicContact CB-SD 4.1Å; M193-P195 VanDerWaalsContact C-CD 3.48Å; M193-P195 VanDerWaalsContact C-N 3.32Å; M193-L196 HydrophobicContact CE-CB 4.18Å; M193-L196 HydrophobicContact CE-CD2 3.49Å; M193-L196 VanDerWaalsContact CE-CD2 3.49Å; M193-L196 HydrophobicContact CE-CG 4.45Å; M193-L196 WeakPolarHBondContact O-CB 3.34Å; M193-L196 PolarHBondContact O-N 3.18Å; M193-Y197 HydrophobicContact CB-CD2 4.33Å; M193-Y197 HydrophobicContact CB-CE2 4.1Å; M193-Y197 WeakPolarHBondContact O-CD2 3.28Å; M193-Y197 PolarHBondContact O-N 2.96Å |
| 194 | T | 95 | Very high | 93.8 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.1 | -42.1 | -178.1 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | W75 D192 L196 Y197 Q198 | W75-T194 HydrophobicContact CZ2-CG2 4.16Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.67Å; D192-T194 WeakPolarHBondContact OD1-CA 3.4Å; D192-T194 WeakPolarHBondContact OD1-CB 3.38Å; D192-T194 PolarHBondContact OD1-N 3.46Å; D192-T194 PolarHBondContact OD1-OG1 2.96Å; D192-T194 PolarHBondContact OD2-OG1 2.64Å; T194-L196 VanDerWaalsContact C-N 3.28Å; T194-L196 PolarHBondContact O-N 3.08Å; T194-Y197 WeakPolarHBondContact O-CB 3.29Å; T194-Y197 PolarHBondContact O-N 3.29Å; T194-Q198 WeakPolarHBondContact O-CB 3.41Å; T194-Q198 PolarHBondContact O-N 2.75Å |
| 195 | P | 95.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 177.2 | -29.4 | 40.4 | 0 | 0 | 0 | 113.7 | A182 A190 M193 Q198 A199 | A182-P195 HydrophobicContact CB-CB 4.41Å; A182-P195 WeakPolarHBondContact O-CG 3.24Å; A190-P195 HydrophobicContact CB-CG 3.57Å; M193-P195 VanDerWaalsContact C-CD 3.48Å; M193-P195 VanDerWaalsContact C-N 3.32Å; P195-Q198 PolarHBondContact O-N 2.83Å; P195-A199 WeakPolarHBondContact O-CB 3.46Å; P195-A199 PolarHBondContact O-N 3.47Å |
| 196 | L | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70 | -41.3 | 176.4 | -177.6 | 54.6 | 0 | 0 | 0 | 111.4 | L31 L35 L106 V136 V173 A182 M193 T194 Q198 A199 I200 | L31-L196 HydrophobicContact CD1-CD2 4.07Å; L31-L196 HydrophobicContact CD2-CD2 4.36Å; L31-L196 HydrophobicContact CG-CD2 4.44Å; L35-L196 HydrophobicContact CD1-CD2 4.17Å; L35-L196 HydrophobicContact CD2-CD2 4.11Å; L35-L196 HydrophobicContact CD2-CG 4.47Å; L106-L196 HydrophobicContact CD1-CD1 4.18Å; V136-L196 HydrophobicContact CG2-CD1 3.69Å; V136-L196 HydrophobicContact CG2-CD2 4.39Å; V173-L196 HydrophobicContact CB-CD1 4.18Å; V173-L196 HydrophobicContact CG1-CB 4.09Å; V173-L196 HydrophobicContact CG1-CD1 4.07Å; V173-L196 HydrophobicContact CG2-CD1 4.16Å; A182-L196 HydrophobicContact CB-CB 4.12Å; M193-L196 HydrophobicContact CE-CB 4.18Å; M193-L196 HydrophobicContact CE-CD2 3.49Å; M193-L196 VanDerWaalsContact CE-CD2 3.49Å; M193-L196 HydrophobicContact CE-CG 4.45Å; M193-L196 WeakPolarHBondContact O-CB 3.34Å; M193-L196 PolarHBondContact O-N 3.18Å; T194-L196 VanDerWaalsContact C-N 3.28Å; T194-L196 PolarHBondContact O-N 3.08Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 2.91Å; L196-A199 PolarHBondContact O-N 3.29Å; L196-I200 HydrophobicContact CD1-CD1 4.4Å; L196-I200 HydrophobicContact CG-CD1 4.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.98Å |
| 197 | Y | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 173.4 | -76.3 | -61.7 | 0 | 0 | 0 | 112.5 | L35 S39 I73 W75 I80 M193 T194 I200 V201 | L35-Y197 WeakPolarHBondContact CA-OH 3.22Å; L35-Y197 HydrophobicContact CB-CE1 4.5Å; L35-Y197 WeakPolarHBondContact CB-OH 3.32Å; L35-Y197 HydrophobicContact CD2-CD1 4.35Å; L35-Y197 HydrophobicContact CD2-CD2 4.3Å; L35-Y197 HydrophobicContact CD2-CE1 3.78Å; L35-Y197 HydrophobicContact CD2-CE2 3.75Å; L35-Y197 VanDerWaalsContact CD2-CZ 3.46Å; L35-Y197 PolarHBondContact O-OH 2.99Å; S39-Y197 WeakPolarHBondContact CB-OH 3.09Å; I73-Y197 HydrophobicContact CG2-CE1 3.96Å; W75-Y197 HydrophobicContact CB-CD1 3.8Å; W75-Y197 HydrophobicContact CB-CE1 3.83Å; W75-Y197 HydrophobicContact CB-CG 4.36Å; W75-Y197 AromaticContact CD1-CD1 3.92Å; W75-Y197 AromaticContact CD1-CD2 3.55Å; W75-Y197 AromaticContact CD1-CE2 3.67Å; W75-Y197 AromaticContact CD1-CG 3.66Å; W75-Y197 AromaticContact CD1-CZ 3.9Å; W75-Y197 AromaticContact CD2-CD1 3.95Å; W75-Y197 HydrophobicContact CD2-CD1 3.95Å; W75-Y197 HydrophobicContact CD2-CD2 4.27Å; W75-Y197 AromaticContact CD2-CG 3.69Å; W75-Y197 HydrophobicContact CD2-CG 3.69Å; W75-Y197 VanDerWaalsContact CE2-CB 3.49Å; W75-Y197 AromaticContact CE2-CD2 3.9Å; W75-Y197 AromaticContact CE2-CG 3.69Å; W75-Y197 HydrophobicContact CE3-CG 4.36Å; W75-Y197 AromaticContact CG-CD1 3.62Å; W75-Y197 HydrophobicContact CG-CD1 3.62Å; W75-Y197 HydrophobicContact CG-CD2 4.05Å; W75-Y197 AromaticContact CG-CE1 3.94Å; W75-Y197 HydrophobicContact CG-CE1 3.94Å; W75-Y197 HydrophobicContact CG-CE2 4.33Å; W75-Y197 AromaticContact CG-CG 3.67Å; W75-Y197 HydrophobicContact CG-CG 3.67Å; W75-Y197 HydrophobicContact CZ2-CG 4.34Å; W75-Y197 AromaticContact NE1-CD2 3.44Å; W75-Y197 AromaticContact NE1-CE2 3.95Å; W75-Y197 AromaticContact NE1-CG 3.68Å; I80-Y197 HydrophobicContact CD1-CD1 3.8Å; I80-Y197 HydrophobicContact CD1-CE1 4.23Å; M193-Y197 HydrophobicContact CB-CD2 4.33Å; M193-Y197 HydrophobicContact CB-CE2 4.1Å; M193-Y197 WeakPolarHBondContact O-CD2 3.28Å; M193-Y197 PolarHBondContact O-N 2.96Å; T194-Y197 WeakPolarHBondContact O-CB 3.29Å; T194-Y197 PolarHBondContact O-N 3.29Å; Y197-I200 PolarHBondContact O-N 2.76Å; Y197-V201 WeakPolarHBondContact O-CG2 3.16Å; Y197-V201 PolarHBondContact O-N 2.96Å |
| 198 | Q | 95.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 179.8 | -167.6 | 58.7 | 53.6 | 0 | 0 | 110.9 | T194 P195 L196 I200 V201 D202 | T194-Q198 WeakPolarHBondContact O-CB 3.41Å; T194-Q198 PolarHBondContact O-N 2.75Å; P195-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 2.91Å; Q198-I200 VanDerWaalsContact C-N 3.3Å; Q198-I200 PolarHBondContact O-N 3.31Å; Q198-V201 PolarHBondContact O-N 2.88Å; Q198-V201 VanDerWaalsContact O-N 3.14Å; Q198-D202 WeakPolarHBondContact CG-OD2 3.35Å; Q198-D202 PolarHBondContact NE2-OD1 2.59Å; Q198-D202 PolarHBondContact NE2-OD2 3.02Å; Q198-D202 WeakPolarHBondContact O-CB 3.36Å; Q198-D202 PolarHBondContact O-N 3.31Å |
| 199 | A | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V173 P195 L196 H203 | V173-A199 HydrophobicContact CG2-CB 3.65Å; P195-A199 WeakPolarHBondContact O-CB 3.46Å; P195-A199 PolarHBondContact O-N 3.47Å; L196-A199 PolarHBondContact O-N 3.29Å; A199-H203 WeakPolarHBondContact O-CB 3.43Å; A199-H203 PolarHBondContact O-N 2.83Å; A199-H203 PolarHBondContact O-ND1 2.99Å |
| 200 | I | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 175 | -70 | 167.4 | 0 | 0 | 0 | 110.7 | R16 I18 I80 I134 L196 Y197 Q198 D202 V204 | R16-I200 HydrophobicContact CB-CG2 4.41Å; I18-I200 HydrophobicContact CD1-CG1 4.46Å; I80-I200 HydrophobicContact CD1-CG2 4.14Å; I80-I200 HydrophobicContact CG1-CG2 4.47Å; I80-I200 HydrophobicContact CG2-CG2 4.1Å; I134-I200 HydrophobicContact CD1-CG1 4.2Å; L196-I200 HydrophobicContact CD1-CD1 4.4Å; L196-I200 HydrophobicContact CG-CD1 4.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.98Å; Y197-I200 PolarHBondContact O-N 2.76Å; Q198-I200 VanDerWaalsContact C-N 3.3Å; Q198-I200 PolarHBondContact O-N 3.31Å; I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 3.02Å; I200-V204 HydrophobicContact CB-CG2 4.45Å; I200-V204 HydrophobicContact CG2-CG2 3.94Å; I200-V204 WeakPolarHBondContact O-CB 3.3Å; I200-V204 WeakPolarHBondContact O-CG2 3.31Å; I200-V204 PolarHBondContact O-N 3.36Å |
| 201 | V | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | -178.4 | 166.5 | 0 | 0 | 0 | 0 | 112.3 | R16 W75 Y78 Y197 Q198 | R16-V201 PolarHBondContact NE-O 2.84Å; R16-V201 PolarHBondContact NH2-O 3Å; R16-V201 VanDerWaalsContact NH2-O 3.15Å; W75-V201 HydrophobicContact CE3-CG2 4.17Å; W75-V201 HydrophobicContact CZ3-CG2 3.94Å; Y78-V201 HydrophobicContact CD1-CG1 4.24Å; Y78-V201 HydrophobicContact CD1-CG2 3.91Å; Y78-V201 HydrophobicContact CD2-CG1 4.45Å; Y78-V201 HydrophobicContact CD2-CG2 3.99Å; Y78-V201 HydrophobicContact CE1-CG1 3.62Å; Y78-V201 HydrophobicContact CE1-CG2 4.16Å; Y78-V201 HydrophobicContact CE2-CG1 3.83Å; Y78-V201 HydrophobicContact CE2-CG2 4.2Å; Y78-V201 HydrophobicContact CG-CG2 3.84Å; Y78-V201 WeakPolarHBondContact OH-CG1 3.47Å; Y197-V201 WeakPolarHBondContact O-CG2 3.16Å; Y197-V201 PolarHBondContact O-N 2.96Å; Q198-V201 PolarHBondContact O-N 2.88Å; Q198-V201 VanDerWaalsContact O-N 3.14Å |
| 202 | D | 94.5 | Very high | 93.4 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.3 | -37.5 | -174.6 | -67.8 | -18.1 | 0 | 0 | 0 | 113.2 | Q198 I200 | Q198-D202 WeakPolarHBondContact CG-OD2 3.35Å; Q198-D202 PolarHBondContact NE2-OD1 2.59Å; Q198-D202 PolarHBondContact NE2-OD2 3.02Å; Q198-D202 WeakPolarHBondContact O-CB 3.36Å; Q198-D202 PolarHBondContact O-N 3.31Å; I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 3.02Å |
| 203 | H | 94.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -104.1 | -26.1 | -171.2 | -60.9 | 83.2 | 0 | 0 | 0 | 113.9 | K132 I134 P171 A199 P205 | K132-H203 PolarHBondContact NZ-O 3.09Å; I134-H203 HydrophobicContact CD1-CB 4.1Å; I134-H203 HydrophobicContact CG1-CB 4.36Å; P171-H203 HydrophobicContact CG-CB 3.98Å; A199-H203 WeakPolarHBondContact O-CB 3.43Å; A199-H203 PolarHBondContact O-N 2.83Å; A199-H203 PolarHBondContact O-ND1 2.99Å; H203-P205 WeakPolarHBondContact O-CD 3.43Å |
| 204 | V | 94.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -79.5 | 122 | 174 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | R16 I18 I134 I200 | R16-V204 HydrophobicContact CB-CG1 4.18Å; R16-V204 WeakPolarHBondContact CD-O 3.47Å; R16-V204 HydrophobicContact CG-CG1 4.47Å; R16-V204 PolarHBondContact NE-O 2.91Å; I18-V204 HydrophobicContact CD1-CG2 3.88Å; I134-V204 HydrophobicContact CD1-CG2 3.65Å; I200-V204 HydrophobicContact CB-CG2 4.45Å; I200-V204 HydrophobicContact CG2-CG2 3.94Å; I200-V204 WeakPolarHBondContact O-CB 3.3Å; I200-V204 WeakPolarHBondContact O-CG2 3.31Å; I200-V204 PolarHBondContact O-N 3.36Å |
| 205 | P | 93.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 154.8 | 176.3 | 27.8 | -31.7 | 0 | 0 | 0 | 111 | D103 H203 | D103-P205 HydrophobicContact CB-CG 4.21Å; H203-P205 WeakPolarHBondContact O-CD 3.43Å |
| 206 | A | 93.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 147.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I12 D208 | I12-A206 HydrophobicContact CG2-CB 4.4Å; A206-D208 PolarHBondContact O-N 3.36Å |
| 207 | P | 91.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 131.7 | 178.7 | -18.5 | 27.4 | 0 | 0 | 0 | 111.2 | L15 N17 D103 V209 | L15-P207 HydrophobicContact CB-CG 4.49Å; L15-P207 HydrophobicContact CD2-CG 3.58Å; L15-P207 WeakPolarHBondContact O-CD 3.33Å; N17-P207 WeakPolarHBondContact ND2-CG 3.35Å; D103-P207 WeakPolarHBondContact OD2-CG 3.37Å; P207-V209 HydrophobicContact CB-CG1 3.89Å; P207-V209 HydrophobicContact CB-CG2 4.47Å; P207-V209 PolarHBondContact O-N 2.96Å; P207-V209 VanDerWaalsContact O-N 3.09Å |
| 208 | D | 89 | Confident | 93.5 | Very high | 127 Ų | 127 | 42.3 Ų | 42.3 | 68% | 0.679 | 23% | 0.234 | S | C | * | . | trans | -76.4 | 94.6 | 174.1 | 176.6 | 32.5 | 0 | 0 | 0 | 110.1 | A206 K237 | A206-D208 PolarHBondContact O-N 3.36Å; D208-K237 PolarHBondContact O-NZ 3.3Å; D208-K237 IonicContact OD2-NZ 2.67Å | ||
| 209 | V | 90.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | trans | -143 | 155.1 | -171.2 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | I12 P207 K237 A280 | I12-V209 HydrophobicContact CD1-CG2 3.53Å; I12-V209 HydrophobicContact CG1-CG2 4.3Å; I12-V209 HydrophobicContact CG2-CG2 4.12Å; P207-V209 HydrophobicContact CB-CG1 3.89Å; P207-V209 HydrophobicContact CB-CG2 4.47Å; P207-V209 PolarHBondContact O-N 2.96Å; P207-V209 VanDerWaalsContact O-N 3.09Å; V209-K237 WeakPolarHBondContact CA-O 3.37Å; V209-K237 VanDerWaalsContact CB-O 3.25Å; V209-K237 WeakPolarHBondContact CB-O 3.31Å; V209-K237 WeakPolarHBondContact CG1-O 3.42Å; V209-A280 HydrophobicContact CB-CB 3.78Å; V209-A280 HydrophobicContact CG2-CB 3.78Å | ||
| 210 | D | 90.8 | Very high | 93.1 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -107.6 | 112.3 | 178.1 | 171.2 | 14.2 | 0 | 0 | 0 | 111 | D212 G213 K237 R238 G239 A280 | D210-D212 PolarHBondContact OD1-N 3.17Å; D210-G213 VanDerWaalsContact CG-N 3.32Å; D210-G213 PolarHBondContact OD1-N 3.18Å; D210-G213 WeakPolarHBondContact OD2-CA 3.33Å; D210-G213 PolarHBondContact OD2-N 3.03Å; D210-K237 PolarHBondContact N-O 2.78Å; D210-R238 HydrophobicContact CB-CB 3.82Å; D210-R238 CarbonylContact O-C 3.56Å; D210-R238 WeakPolarHBondContact O-CA 3.36Å; D210-R238 VanDerWaalsContact O-CB 3.26Å; D210-R238 WeakPolarHBondContact O-CB 3.23Å; D210-G239 PolarHBondContact O-N 2.83Å; D210-A280 WeakPolarHBondContact O-CB 3.46Å |
| 211 | L | 90 | Very high | 92.7 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -69.7 | -33.8 | -179.8 | -74.5 | 172 | 0 | 0 | 0 | 114.3 | I12 E279 A280 | I12-L211 HydrophobicContact CD1-CB 4.49Å; I12-L211 HydrophobicContact CD1-CD1 3.4Å; I12-L211 VanDerWaalsContact CD1-CD1 3.4Å; I12-L211 HydrophobicContact CD1-CD2 3.35Å; I12-L211 HydrophobicContact CD1-CG 3.12Å; I12-L211 HydrophobicContact CG1-CD1 3.97Å; I12-L211 HydrophobicContact CG1-CD2 3.83Å; I12-L211 HydrophobicContact CG1-CG 4.02Å; L211-E279 HydrophobicContact CD2-CB 4.09Å; L211-A280 HydrophobicContact CD2-CB 4.2Å |
| 212 | D | 89.9 | Confident | 92.3 | Very high | 151 Ų | 151 | 39.9 Ų | 39.9 | 81% | 0.807 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -97.9 | -17.1 | -166.8 | -70.1 | -43.1 | 0 | 0 | 0 | 111.9 | D210 | D210-D212 PolarHBondContact OD1-N 3.17Š|
| 213 | G | 91.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -61.7 | 169.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D210 G239 | D210-G213 VanDerWaalsContact CG-N 3.32Å; D210-G213 PolarHBondContact OD1-N 3.18Å; D210-G213 WeakPolarHBondContact OD2-CA 3.33Å; D210-G213 PolarHBondContact OD2-N 3.03Å; G213-G239 WeakPolarHBondContact O-CA 3.45Å |
| 214 | P | 95.5 | Very high | 91 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 145.8 | 176.1 | 27.6 | -32.9 | 0 | 0 | 0 | 110.8 | Q216 R238 D300 N303 | P214-Q216 PolarHBondContact O-N 3.42Å; P214-R238 WeakPolarHBondContact O-CD 3.27Å; P214-R238 VanDerWaalsContact O-CG 3.23Å; P214-R238 WeakPolarHBondContact O-CG 3.37Å; P214-R238 PolarHBondContact O-NE 3.29Å; P214-D300 HydrophobicContact CB-CB 3.99Å; P214-N303 HydrophobicContact CB-CB 3.51Å; P214-N303 HydrophobicContact CG-CB 3.55Å |
| 215 | F | 97 | Very high | 90.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 129.7 | -179.6 | 177.9 | -120 | 0 | 0 | 0 | 111.5 | M217 I236 R238 V241 V247 I286 V298 C299 D300 | F215-M217 HydrophobicContact CE1-CB 4.42Å; F215-M217 HydrophobicContact CE2-CB 3.81Å; F215-M217 HydrophobicContact CZ-CB 3.56Å; F215-M217 HydrophobicContact CZ-CG 4.48Å; F215-M217 HydrophobicContact CZ-SD 4.09Å; F215-I236 HydrophobicContact CD2-CG2 4Å; F215-I236 HydrophobicContact CE2-CD1 4.03Å; F215-I236 HydrophobicContact CE2-CG1 4.01Å; F215-I236 HydrophobicContact CE2-CG2 3.84Å; F215-R238 CarbonylContact C-O 3.49Å; F215-R238 WeakPolarHBondContact CA-O 3.47Å; F215-V241 HydrophobicContact CD2-CB 3.98Å; F215-V241 HydrophobicContact CE1-CB 4.16Å; F215-V241 HydrophobicContact CE1-CG2 4.16Å; F215-V241 HydrophobicContact CE2-CB 3.58Å; F215-V241 HydrophobicContact CE2-CG1 3.96Å; F215-V241 HydrophobicContact CE2-CG2 4.43Å; F215-V241 HydrophobicContact CG-CB 4.44Å; F215-V241 HydrophobicContact CZ-CB 3.68Å; F215-V241 HydrophobicContact CZ-CG1 4.14Å; F215-V241 HydrophobicContact CZ-CG2 4.04Å; F215-V247 HydrophobicContact CD1-CG1 3.98Å; F215-V247 HydrophobicContact CE1-CG1 4.08Å; F215-I286 HydrophobicContact CE1-CD1 4.5Å; F215-I286 HydrophobicContact CZ-CD1 3.85Å; F215-V298 HydrophobicContact CE1-CB 4.08Å; F215-V298 HydrophobicContact CE1-CG1 3.73Å; F215-C299 CarbonylContact O-C 3.58Å; F215-C299 VanDerWaalsContact O-CA 3.23Å; F215-C299 WeakPolarHBondContact O-CA 3.23Å; F215-D300 HydrophobicContact CB-CB 4.22Å; F215-D300 PolarHBondContact O-N 3.09Å |
| 216 | Q | 96.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 122.4 | 173.8 | -168.9 | -173.7 | 47.2 | 0 | 0 | 109 | P214 K237 R238 T297 V298 E305 L307 | P214-Q216 PolarHBondContact O-N 3.42Å; Q216-K237 PolarHBondContact O-N 2.92Å; Q216-R238 HydrophobicContact CB-CG 3.49Å; Q216-R238 VanDerWaalsContact CB-CG 3.49Å; Q216-R238 PolarHBondContact N-O 3.48Å; Q216-R238 PolarHBondContact O-N 3.48Å; Q216-T297 HydrophobicContact CG-CG2 3.66Å; Q216-V298 CarbonylContact C-O 3.54Å; Q216-V298 WeakPolarHBondContact CA-O 3.5Å; Q216-E305 PolarHBondContact NE2-O 3.37Å; Q216-L307 HydrophobicContact CG-CD1 3.99Å; Q216-L307 HydrophobicContact CG-CG 4.1Å |
| 217 | M | 96.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 125.6 | 178.3 | 176.4 | -175.9 | 167.8 | 0 | 0 | 108.9 | F215 I219 G234 I236 V284 I286 T297 V298 | F215-M217 HydrophobicContact CE1-CB 4.42Å; F215-M217 HydrophobicContact CE2-CB 3.81Å; F215-M217 HydrophobicContact CZ-CB 3.56Å; F215-M217 HydrophobicContact CZ-CG 4.48Å; F215-M217 HydrophobicContact CZ-SD 4.09Å; M217-I219 HydrophobicContact CE-CD1 4.16Å; M217-G234 VanDerWaalsContact CE-CA 3.49Å; M217-G234 WeakPolarHBondContact CE-O 3.1Å; M217-I236 HydrophobicContact CB-CG1 4.37Å; M217-I236 HydrophobicContact CG-CG1 4.3Å; M217-I236 HydrophobicContact SD-CG1 4.07Å; M217-V284 HydrophobicContact CE-CG2 3.96Å; M217-V284 WeakPolarHBondContact CE-O 3.35Å; M217-V284 HydrophobicContact SD-CG2 4Å; M217-I286 HydrophobicContact CE-CD1 4.14Å; M217-I286 HydrophobicContact CE-CG1 4.25Å; M217-I286 HydrophobicContact SD-CD1 3.33Å; M217-I286 WeakPolarHBondContact SD-CD1 3.31Å; M217-I286 HydrophobicContact SD-CG1 4.05Å; M217-T297 CarbonylContact O-C 3.3Å; M217-V298 PolarHBondContact N-O 2.82Å; M217-V298 PolarHBondContact O-N 3.49Å |
| 218 | Q | 94.5 | Very high | 88.6 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138 | 171.2 | -169.6 | 168.5 | 49.4 | 0 | 0 | 109.8 | S220 G234 L307 P308 L310 | Q218-S220 PolarHBondContact O-N 3.31Å; Q218-G234 WeakPolarHBondContact O-CA 3.49Å; Q218-L307 HydrophobicContact CB-CB 4.43Å; Q218-L307 HydrophobicContact CB-CD1 3.76Å; Q218-P308 PolarHBondContact NE2-O 3.46Å; Q218-L310 HydrophobicContact CG-CD1 4.44Å |
| 219 | I | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -80.9 | 108.9 | 173 | -55.7 | -52.6 | 0 | 0 | 0 | 108.8 | M217 Q221 L222 L292 S295 D296 V298 | M217-I219 HydrophobicContact CE-CD1 4.16Å; I219-Q221 WeakPolarHBondContact CG2-O 3.27Å; I219-L222 HydrophobicContact CG2-CD2 3.63Å; I219-L222 HydrophobicContact CG2-CG 4.23Å; I219-L292 HydrophobicContact CD1-CD1 4.27Å; I219-L292 HydrophobicContact CG1-CD1 4.27Å; I219-L292 HydrophobicContact CG1-CD2 4.38Å; I219-S295 PolarHBondContact O-N 3.5Å; I219-D296 HydrophobicContact CG1-CB 4.37Å; I219-D296 PolarHBondContact N-O 3.41Å; I219-V298 HydrophobicContact CD1-CG2 3.81Å; I219-V298 HydrophobicContact CG1-CG2 4.02Å | ||
| 220 | S | 89 | Confident | 88.2 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -96.4 | -23.1 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | R97 S100 M101 Q218 I233 | R97-S220 VanDerWaalsContact CB-O 3.31Å; R97-S220 WeakPolarHBondContact CB-O 3.32Å; R97-S220 WeakPolarHBondContact CD-O 3.21Å; R97-S220 WeakPolarHBondContact CG-O 3.03Å; S100-S220 PolarHBondContact OG-OG 2.89Å; M101-S220 WeakPolarHBondContact CG-OG 3.45Å; M101-S220 VanDerWaalsContact SD-CB 3.59Å; Q218-S220 PolarHBondContact O-N 3.31Å; S220-I233 PolarHBondContact N-O 2.83Å | ||
| 221 | Q | 86.1 | Confident | 88.1 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.8 | -179.6 | -82.8 | 173.2 | -10.7 | 0 | 0 | 110.8 | E94 M101 I219 I233 | E94-Q221 PolarHBondContact OE1-NE2 3.41Å; M101-Q221 HydrophobicContact CE-CG 4.34Å; I219-Q221 WeakPolarHBondContact CG2-O 3.27Å; Q221-I233 HydrophobicContact CB-CB 3.83Å; Q221-I233 HydrophobicContact CB-CD1 4.3Å; Q221-I233 HydrophobicContact CB-CG2 4.25Å; Q221-I233 PolarHBondContact N-O 2.75Å; Q221-I233 PolarHBondContact O-N 3.45Å |
| 222 | L | 85.5 | Confident | 88.2 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.8 | 175.7 | -67.2 | 172.8 | 0 | 0 | 0 | 109.1 | I219 V230 I231 L292 I294 V350 H351 | I219-L222 HydrophobicContact CG2-CD2 3.63Å; I219-L222 HydrophobicContact CG2-CG 4.23Å; L222-V230 HydrophobicContact CD2-CG1 3.94Å; L222-I231 WeakPolarHBondContact CA-O 3.3Å; L222-L292 VanDerWaalsContact CD1-O 3.23Å; L222-L292 WeakPolarHBondContact CD1-O 3.2Å; L222-L292 HydrophobicContact CD2-CB 3.66Å; L222-I294 HydrophobicContact CD1-CG1 3.97Å; L222-I294 HydrophobicContact CG-CG1 4.1Å; L222-V350 WeakPolarHBondContact CD1-O 3.33Å; L222-H351 HydrophobicContact CB-CB 4.44Å |
| 223 | D | 83.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 37 Ų | 37 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 161.5 | 172.9 | -169.9 | 3.5 | 0 | 0 | 0 | 108.3 | I231 I233 R272 | D223-I231 HydrophobicContact CB-CB 4.17Å; D223-I231 PolarHBondContact N-O 2.8Å; D223-I231 PolarHBondContact O-N 3.02Å; D223-I233 HydrophobicContact CB-CD1 3.92Å; D223-R272 IonicContact OD2-CZ 3.83Å; D223-R272 VanDerWaalsContact OD2-CZ 3.28Å; D223-R272 IonicContact OD2-NH1 2.89Å; D223-R272 PolarHBondContact OD2-NH1 3.31Å; D223-R272 IonicContact OD2-NH2 3.79Å; D223-R272 PolarHBondContact OD2-NH2 2.62Å |
| 224 | Y | 79.8 | Confident | 88.4 | Confident | 101 Ų | 101 | 36.3 Ų | 36.3 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.8 | -177.6 | 179.9 | -89.4 | 0 | 0 | 0 | 110.9 | V230 | Y224-V230 HydrophobicContact CD2-CG2 4.33Å |
| 225 | N | 79.7 | Confident | 88.3 | Confident | 64 Ų | 64 | 36.4 Ų | 36.4 | 34% | 0.342 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131 | 171.7 | -174 | -65.9 | 0 | 0 | 0 | 110.2 | Y227 V228 G229 I231 | N225-Y227 PolarHBondContact O-N 2.91Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.45Å; N225-Y227 VanDerWaalsContact OD1-CD2 3.32Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.39Å; N225-Y227 PolarHBondContact OD1-N 2.67Å; N225-V228 HydrophobicContact CB-CB 4.3Å; N225-V228 PolarHBondContact O-N 2.73Å; N225-V228 VanDerWaalsContact O-N 3.12Å; N225-G229 PolarHBondContact N-O 2.97Å; N225-G229 WeakPolarHBondContact O-CA 3.12Å; N225-G229 PolarHBondContact O-N 3.33Å; N225-I231 HydrophobicContact CB-CD1 3.96Å |
| 226 | S | 78.8 | Confident | 88.3 | Confident | 93 Ų | 93 | 36.2 Ų | 36.2 | 65% | 0.65 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -23 | -177.9 | -54.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 227 | Y | 81.7 | Confident | 88.1 | Confident | 219 Ų | 219 | 39.1 Ų | 39.1 | 86% | 0.859 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -27.7 | 179.5 | -56.2 | -71 | 0 | 0 | 0 | 113.7 | N225 | N225-Y227 PolarHBondContact O-N 2.91Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.45Å; N225-Y227 VanDerWaalsContact OD1-CD2 3.32Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.39Å; N225-Y227 PolarHBondContact OD1-N 2.67Å |
| 228 | V | 81.4 | Confident | 88 | Confident | 59 Ų | 59 | 41 Ų | 41 | 36% | 0.358 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -16.7 | -170.2 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | N225 T287 | N225-V228 HydrophobicContact CB-CB 4.3Å; N225-V228 PolarHBondContact O-N 2.73Å; N225-V228 VanDerWaalsContact O-N 3.12Å; V228-T287 HydrophobicContact CG1-CG2 3.47Å; V228-T287 VanDerWaalsContact CG1-CG2 3.47Å |
| 229 | G | 84.6 | Confident | 88 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.1 | -147.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N225 | N225-G229 PolarHBondContact N-O 2.97Å; N225-G229 WeakPolarHBondContact O-CA 3.12Å; N225-G229 PolarHBondContact O-N 3.33Å |
| 230 | V | 86.9 | Confident | 88 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134.2 | 177.3 | -178 | 0 | 0 | 0 | 0 | 110 | L222 Y224 L292 V350 | L222-V230 HydrophobicContact CD2-CG1 3.94Å; Y224-V230 HydrophobicContact CD2-CG2 4.33Å; V230-L292 HydrophobicContact CG1-CB 4.27Å; V230-V350 HydrophobicContact CG2-CG1 4.06Å |
| 231 | I | 90.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.6 | 177.5 | -51.8 | -177.4 | 0 | 0 | 0 | 106.9 | L222 D223 N225 I233 A285 I286 T287 | L222-I231 WeakPolarHBondContact CA-O 3.3Å; D223-I231 HydrophobicContact CB-CB 4.17Å; D223-I231 PolarHBondContact N-O 2.8Å; D223-I231 PolarHBondContact O-N 3.02Å; N225-I231 HydrophobicContact CB-CD1 3.96Å; I231-I233 HydrophobicContact CG2-CG1 4.31Å; I231-A285 HydrophobicContact CG2-CB 3.45Å; I231-A285 VanDerWaalsContact CG2-CB 3.45Å; I231-I286 WeakPolarHBondContact CA-O 2.93Å; I231-T287 HydrophobicContact CB-CG2 4.31Å; I231-T287 HydrophobicContact CD1-CG2 4.47Å; I231-T287 HydrophobicContact CG1-CG2 3.91Å; I231-T287 HydrophobicContact CG2-CG2 4.04Å |
| 232 | G | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A285 I286 | G232-A285 CarbonylContact O-C 3.46Å; G232-A285 WeakPolarHBondContact O-CA 3.34Å; G232-I286 PolarHBondContact N-O 3.04Å; G232-I286 PolarHBondContact O-N 3.11Å |
| 233 | I | 91.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.4 | 179.3 | -60.1 | 156.7 | 0 | 0 | 0 | 108.8 | S220 Q221 D223 I231 R272 I283 V284 A285 | S220-I233 PolarHBondContact N-O 2.83Å; Q221-I233 HydrophobicContact CB-CB 3.83Å; Q221-I233 HydrophobicContact CB-CD1 4.3Å; Q221-I233 HydrophobicContact CB-CG2 4.25Å; Q221-I233 PolarHBondContact N-O 2.75Å; Q221-I233 PolarHBondContact O-N 3.45Å; D223-I233 HydrophobicContact CB-CD1 3.92Å; I231-I233 HydrophobicContact CG2-CG1 4.31Å; I233-R272 VanDerWaalsContact CD1-NH2 3.3Å; I233-I283 HydrophobicContact CG2-CG2 4.49Å; I233-V284 WeakPolarHBondContact CA-O 3.49Å; I233-A285 HydrophobicContact CG1-CB 3.92Å |
| 234 | G | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 176 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M217 Q218 I283 V284 | M217-G234 VanDerWaalsContact CE-CA 3.49Å; M217-G234 WeakPolarHBondContact CE-O 3.1Å; Q218-G234 WeakPolarHBondContact O-CA 3.49Å; G234-I283 WeakPolarHBondContact O-CA 3.31Å; G234-V284 PolarHBondContact N-O 2.9Å; G234-V284 VanDerWaalsContact N-O 3.16Å; G234-V284 PolarHBondContact O-N 3.27Å |
| 235 | R | 94.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131 | 172.5 | -178.8 | -178.8 | 58.4 | 174.9 | -0.9 | 109.8 | S100 M101 D103 K237 D282 I283 | S100-R235 PolarHBondContact O-NH2 2.99Å; M101-R235 HydrophobicContact CB-CB 4.3Å; M101-R235 HydrophobicContact CG-CB 4.27Å; M101-R235 WeakPolarHBondContact O-CD 3.04Å; D103-R235 VanDerWaalsContact CG-NH1 3.3Å; D103-R235 IonicContact OD1-CZ 2.74Å; D103-R235 IonicContact OD1-NH1 3.2Å; D103-R235 PolarHBondContact OD1-NH1 3.35Å; D103-R235 IonicContact OD2-NH1 3.99Å; D103-R235 PolarHBondContact OD2-NH1 3.02Å; R235-K237 PolarHBondContact O-N 3.28Å; R235-D282 WeakPolarHBondContact CA-O 3.25Å; R235-I283 HydrophobicContact CB-CG1 4.26Å |
| 236 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 117.5 | 173.8 | -55.8 | 178.5 | 0 | 0 | 0 | 108.5 | F215 M217 R238 V241 A278 A280 G281 D282 V284 | F215-I236 HydrophobicContact CD2-CG2 4Å; F215-I236 HydrophobicContact CE2-CD1 4.03Å; F215-I236 HydrophobicContact CE2-CG1 4.01Å; F215-I236 HydrophobicContact CE2-CG2 3.84Å; M217-I236 HydrophobicContact CB-CG1 4.37Å; M217-I236 HydrophobicContact CG-CG1 4.3Å; M217-I236 HydrophobicContact SD-CG1 4.07Å; I236-R238 WeakPolarHBondContact CG2-O 3.38Å; I236-V241 HydrophobicContact CD1-CG1 3.81Å; I236-A278 HydrophobicContact CD1-CB 3.73Å; I236-A280 HydrophobicContact CG2-CB 4.3Å; I236-G281 PolarHBondContact O-N 2.87Å; I236-D282 PolarHBondContact N-O 3.17Å; I236-V284 HydrophobicContact CD1-CG2 3.95Å; I236-V284 HydrophobicContact CG1-CG2 4.07Å |
| 237 | K | 93.6 | Very high | 92.4 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -37.1 | 179.9 | -178.7 | 59.4 | 177.8 | 174.1 | 0 | 111.9 | D208 V209 D210 Q216 R235 L307 | D208-K237 PolarHBondContact O-NZ 3.3Å; D208-K237 IonicContact OD2-NZ 2.67Å; V209-K237 WeakPolarHBondContact CA-O 3.37Å; V209-K237 VanDerWaalsContact CB-O 3.25Å; V209-K237 WeakPolarHBondContact CB-O 3.31Å; V209-K237 WeakPolarHBondContact CG1-O 3.42Å; D210-K237 PolarHBondContact N-O 2.78Å; Q216-K237 PolarHBondContact O-N 2.92Å; R235-K237 PolarHBondContact O-N 3.28Å; K237-L307 HydrophobicContact CB-CD1 4.1Å; K237-L307 HydrophobicContact CG-CD1 4.48Å; K237-L307 HydrophobicContact CG-CD2 4.44Å |
| 238 | R | 93.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159 | 174.8 | 55 | 165.6 | -165.7 | -142.2 | -0.9 | 112.9 | D210 P214 F215 Q216 I236 E305 | D210-R238 HydrophobicContact CB-CB 3.82Å; D210-R238 CarbonylContact O-C 3.56Å; D210-R238 WeakPolarHBondContact O-CA 3.36Å; D210-R238 VanDerWaalsContact O-CB 3.26Å; D210-R238 WeakPolarHBondContact O-CB 3.23Å; P214-R238 WeakPolarHBondContact O-CD 3.27Å; P214-R238 VanDerWaalsContact O-CG 3.23Å; P214-R238 WeakPolarHBondContact O-CG 3.37Å; P214-R238 PolarHBondContact O-NE 3.29Å; F215-R238 CarbonylContact C-O 3.49Å; F215-R238 WeakPolarHBondContact CA-O 3.47Å; Q216-R238 HydrophobicContact CB-CG 3.49Å; Q216-R238 VanDerWaalsContact CB-CG 3.49Å; Q216-R238 PolarHBondContact N-O 3.48Å; Q216-R238 PolarHBondContact O-N 3.48Å; I236-R238 WeakPolarHBondContact CG2-O 3.38Å; R238-E305 IonicContact CZ-OE2 3.23Å; R238-E305 VanDerWaalsContact CZ-OE2 3.23Å; R238-E305 IonicContact NH1-OE2 2.78Å; R238-E305 PolarHBondContact NH1-OE2 2.92Å; R238-E305 IonicContact NH2-OE2 2.71Å; R238-E305 PolarHBondContact NH2-OE2 2.91Å |
| 239 | G | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 69.8 | -149.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D210 G213 A280 | D210-G239 PolarHBondContact O-N 2.83Å; G213-G239 WeakPolarHBondContact O-CA 3.45Å; G239-A280 PolarHBondContact O-N 2.8Å |
| 240 | K | 94.5 | Very high | 94.4 | Very high | 98 Ų | 98 | 33.6 Ų | 33.6 | 43% | 0.426 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 151.9 | -173.1 | 63 | -161.4 | 164.5 | -152.5 | 0 | 112.4 | Q245 L277 A278 E279 | K240-Q245 PolarHBondContact O-NE2 3.05Å; K240-Q245 PolarHBondContact O-OE1 3.35Å; K240-L277 HydrophobicContact CB-CD1 3.83Å; K240-L277 HydrophobicContact CD-CD1 4.02Å; K240-L277 HydrophobicContact CG-CD1 4.07Å; K240-A278 CarbonylContact C-O 3.6Å; K240-A278 WeakPolarHBondContact CA-O 3.26Å; K240-A278 WeakPolarHBondContact CB-O 3.43Å; K240-E279 HydrophobicContact CB-CG 4.35Å |
| 241 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.6 | 177.9 | 66 | 0 | 0 | 0 | 0 | 111.8 | F215 I236 Q245 V261 V264 A278 I286 | F215-V241 HydrophobicContact CD2-CB 3.98Å; F215-V241 HydrophobicContact CE1-CB 4.16Å; F215-V241 HydrophobicContact CE1-CG2 4.16Å; F215-V241 HydrophobicContact CE2-CB 3.58Å; F215-V241 HydrophobicContact CE2-CG1 3.96Å; F215-V241 HydrophobicContact CE2-CG2 4.43Å; F215-V241 HydrophobicContact CG-CB 4.44Å; F215-V241 HydrophobicContact CZ-CB 3.68Å; F215-V241 HydrophobicContact CZ-CG1 4.14Å; F215-V241 HydrophobicContact CZ-CG2 4.04Å; I236-V241 HydrophobicContact CD1-CG1 3.81Å; V241-Q245 VanDerWaalsContact CA-OE1 3.28Å; V241-V261 HydrophobicContact CG2-CB 4.47Å; V241-V261 HydrophobicContact CG2-CG1 4.08Å; V241-V261 HydrophobicContact CG2-CG2 3.79Å; V241-V264 HydrophobicContact CG1-CG1 3.96Å; V241-V264 HydrophobicContact CG1-CG2 4.01Å; V241-V264 HydrophobicContact CG2-CG2 3.99Å; V241-A278 HydrophobicContact CG1-CB 3.92Å; V241-A278 PolarHBondContact N-O 3.07Å; V241-A278 PolarHBondContact O-N 2.87Å; V241-I286 HydrophobicContact CG1-CD1 4.13Å; V241-I286 HydrophobicContact CG2-CD1 4.13Å |
| 242 | K | 96.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 38.3 Ų | 38.3 | 47% | 0.47 | 19% | 0.191 | S | C | . | . | trans | -125.8 | 153.9 | 173.4 | -62.2 | -172.2 | 174.6 | -178.7 | 0 | 111.2 | N244 Q245 V261 D276 L277 | K242-N244 PolarHBondContact O-N 3.49Å; K242-Q245 VanDerWaalsContact O-CB 3.22Å; K242-Q245 WeakPolarHBondContact O-CB 3.42Å; K242-Q245 PolarHBondContact O-N 2.98Å; K242-V261 WeakPolarHBondContact O-CG1 3.42Å; K242-D276 WeakPolarHBondContact CG-O 3.48Å; K242-L277 HydrophobicContact CD-CD1 4.41Å; K242-L277 HydrophobicContact CG-CD1 3.82Å | ||
| 243 | P | 95.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 45 Ų | 45 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 142.4 | 166.1 | -24.6 | 34.5 | 0 | 0 | 0 | 111 | Q245 V264 D276 | P243-Q245 PolarHBondContact O-N 3.29Å; P243-V264 HydrophobicContact CG-CG2 4.33Å; P243-D276 VanDerWaalsContact CD-O 3.25Å; P243-D276 WeakPolarHBondContact CD-O 3.49Å |
| 244 | N | 94.6 | Very high | 94 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.9 | -177.7 | -61 | -73.4 | 0 | 0 | 0 | 117.2 | K242 K260 V261 | K242-N244 PolarHBondContact O-N 3.49Å; N244-K260 VanDerWaalsContact CA-CE 3.44Å; N244-K260 VanDerWaalsContact CB-CE 3.41Å; N244-K260 VanDerWaalsContact O-CE 3.26Å; N244-K260 WeakPolarHBondContact O-CE 3.43Å; N244-K260 WeakPolarHBondContact OD1-CE 3.41Å; N244-K260 PolarHBondContact OD1-NZ 2.79Å; N244-V261 WeakPolarHBondContact CA-O 3.3Å; N244-V261 PolarHBondContact N-O 2.98Å |
| 245 | Q | 95.8 | Very high | 94 | Very high | 40 Ų | 40 | 53 Ų | 53 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | trans | -69.9 | 138.6 | 174.7 | -176.7 | 170.7 | -13.2 | 0 | 0 | 111.6 | K240 V241 K242 P243 V247 V261 | K240-Q245 PolarHBondContact O-NE2 3.05Å; K240-Q245 PolarHBondContact O-OE1 3.35Å; V241-Q245 VanDerWaalsContact CA-OE1 3.28Å; K242-Q245 VanDerWaalsContact O-CB 3.22Å; K242-Q245 WeakPolarHBondContact O-CB 3.42Å; K242-Q245 PolarHBondContact O-N 2.98Å; P243-Q245 PolarHBondContact O-N 3.29Å; Q245-V247 HydrophobicContact CG-CG1 4.36Å; Q245-V261 HydrophobicContact CB-CB 4.48Å; Q245-V261 HydrophobicContact CB-CG2 4.35Å; Q245-V261 WeakPolarHBondContact O-CG2 3.42Å; Q245-V261 PolarHBondContact O-N 2.97Å | ||
| 246 | Q | 97.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.9 | 170.3 | -70.5 | -69.7 | 60.9 | 0 | 0 | 109.9 | A259 K260 T301 | Q246-A259 PolarHBondContact OE1-O 3.23Å; Q246-A259 VanDerWaalsContact OE1-O 3.05Å; Q246-K260 VanDerWaalsContact OE1-CA 3.23Å; Q246-T301 HydrophobicContact CB-CG2 4.06Å |
| 247 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 157.5 | -178.3 | -66 | 0 | 0 | 0 | 0 | 110.2 | F215 Q245 N258 A259 V261 L289 V298 C299 | F215-V247 HydrophobicContact CD1-CG1 3.98Å; F215-V247 HydrophobicContact CE1-CG1 4.08Å; Q245-V247 HydrophobicContact CG-CG1 4.36Å; V247-N258 WeakPolarHBondContact O-CA 3.1Å; V247-A259 HydrophobicContact CG2-CB 4.38Å; V247-A259 WeakPolarHBondContact CG2-O 3.22Å; V247-A259 PolarHBondContact N-O 3.11Å; V247-A259 PolarHBondContact O-N 2.89Å; V247-A259 VanDerWaalsContact O-O 3.08Å; V247-V261 HydrophobicContact CG1-CG2 3.81Å; V247-V261 HydrophobicContact CG2-CG2 4.05Å; V247-L289 HydrophobicContact CG2-CD2 3.6Å; V247-V298 HydrophobicContact CB-CG1 3.7Å; V247-V298 HydrophobicContact CG1-CG1 4.05Å; V247-V298 HydrophobicContact CG2-CG1 3.64Å; V247-C299 CarbonylContact C-O 3.59Å; V247-C299 VanDerWaalsContact CA-O 3.3Å; V247-C299 WeakPolarHBondContact CA-O 3.34Å; V247-C299 WeakPolarHBondContact CB-O 3.4Å |
| 248 | T | 97.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.6 | 169.4 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | T256 N258 C299 V304 | T248-T256 HydrophobicContact CG2-CG2 4.24Å; T248-N258 PolarHBondContact OG1-OD1 3.37Å; T248-C299 PolarHBondContact N-O 3.42Å; T248-C299 PolarHBondContact O-N 2.88Å; T248-V304 HydrophobicContact CG2-CG1 3.91Å; T248-V304 HydrophobicContact CG2-CG2 3.74Å |
| 249 | I | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.5 | 174.6 | -59.9 | 141.8 | 0 | 0 | 0 | 107 | T256 R257 A259 L289 L292 D296 T297 V298 | I249-T256 CarbonylContact O-C 3.59Å; I249-T256 WeakPolarHBondContact O-CA 3.06Å; I249-R257 HydrophobicContact CB-CG 4.12Å; I249-R257 HydrophobicContact CD1-CG 4.27Å; I249-R257 PolarHBondContact N-O 2.94Å; I249-R257 PolarHBondContact O-N 3.21Å; I249-A259 HydrophobicContact CD1-CB 3.59Å; I249-L289 HydrophobicContact CD1-CB 4.04Å; I249-L292 HydrophobicContact CD1-CD2 4.05Å; I249-L292 HydrophobicContact CG1-CD2 4.23Å; I249-L292 HydrophobicContact CG2-CD2 4.25Å; I249-D296 HydrophobicContact CG2-CB 3.88Å; I249-T297 WeakPolarHBondContact CA-O 3.37Å; I249-V298 HydrophobicContact CG1-CG1 4.33Å; I249-V298 HydrophobicContact CG1-CG2 4.28Å |
| 250 | I | 95.5 | Very high | 94.4 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.5 | 171.4 | -175.8 | 163.5 | 0 | 0 | 0 | 108.9 | K255 T256 T297 V304 A306 | I250-K255 WeakPolarHBondContact CA-O 3.41Å; I250-T256 HydrophobicContact CB-CG2 4.01Å; I250-T256 HydrophobicContact CD1-CG2 4.08Å; I250-T256 HydrophobicContact CG1-CG2 3.99Å; I250-T297 WeakPolarHBondContact CG2-O 3.38Å; I250-T297 PolarHBondContact N-O 3.14Å; I250-T297 PolarHBondContact O-N 2.95Å; I250-V304 HydrophobicContact CB-CG1 4Å; I250-V304 HydrophobicContact CD1-CG1 4.21Å; I250-V304 HydrophobicContact CG2-CG1 4.18Å; I250-A306 HydrophobicContact CD1-CB 3.92Å; I250-A306 HydrophobicContact CG1-CB 4.12Å; I250-A306 HydrophobicContact CG2-CB 3.74Å |
| 251 | D | 91.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | trans | -83.2 | 176.1 | 176.5 | 71.2 | 14.6 | 0 | 0 | 0 | 111.8 | E253 G254 K255 D296 | D251-E253 PolarHBondContact O-N 2.93Å; D251-E253 WeakPolarHBondContact OD1-CA 3.27Å; D251-E253 WeakPolarHBondContact OD1-CB 3.15Å; D251-E253 PolarHBondContact OD1-N 3.39Å; D251-G254 PolarHBondContact O-N 3.24Å; D251-G254 PolarHBondContact OD1-N 3.31Å; D251-K255 PolarHBondContact N-O 2.85Å; D251-K255 PolarHBondContact OD1-N 3.4Å; D251-K255 WeakPolarHBondContact OD2-CB 3.49Å; D251-D296 WeakPolarHBondContact CA-OD1 3.48Å; D251-D296 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 252 | S | 85 | Confident | 94.4 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 63% | 0.629 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.4 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 114 | ||
| 253 | E | 87.4 | Confident | 94.2 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.5 | 175.4 | -61 | -176.9 | 177.9 | 0 | 0 | 112.4 | D251 K255 | D251-E253 PolarHBondContact O-N 2.93Å; D251-E253 WeakPolarHBondContact OD1-CA 3.27Å; D251-E253 WeakPolarHBondContact OD1-CB 3.15Å; D251-E253 PolarHBondContact OD1-N 3.39Å; E253-K255 WeakPolarHBondContact OE2-CE 3.4Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.39Å |
| 254 | G | 89.9 | Confident | 94.2 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | trans | 84.5 | 8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D251 | D251-G254 PolarHBondContact O-N 3.24Å; D251-G254 PolarHBondContact OD1-N 3.31Å | ||
| 255 | K | 93 | Very high | 94.1 | Very high | 130 Ų | 130 | 55.9 Ų | 55.9 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | trans | -73.8 | 141.2 | 172.3 | -57.6 | 169.2 | 176 | 145.9 | 0 | 109.2 | I250 D251 E253 | I250-K255 WeakPolarHBondContact CA-O 3.41Å; D251-K255 PolarHBondContact N-O 2.85Å; D251-K255 PolarHBondContact OD1-N 3.4Å; D251-K255 WeakPolarHBondContact OD2-CB 3.49Å; E253-K255 WeakPolarHBondContact OE2-CE 3.4Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.39Å | ||
| 256 | T | 95.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 53% | 0.534 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.4 | -175.8 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | T248 I249 I250 V304 | T248-T256 HydrophobicContact CG2-CG2 4.24Å; I249-T256 CarbonylContact O-C 3.59Å; I249-T256 WeakPolarHBondContact O-CA 3.06Å; I250-T256 HydrophobicContact CB-CG2 4.01Å; I250-T256 HydrophobicContact CD1-CG2 4.08Å; I250-T256 HydrophobicContact CG1-CG2 3.99Å; T256-V304 HydrophobicContact CG2-CG1 4.04Å |
| 257 | R | 95.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140.3 | 170.4 | 65.6 | -170.7 | -173.1 | 87.3 | 6.6 | 110.9 | I249 L289 E291 | I249-R257 HydrophobicContact CB-CG 4.12Å; I249-R257 HydrophobicContact CD1-CG 4.27Å; I249-R257 PolarHBondContact N-O 2.94Å; I249-R257 PolarHBondContact O-N 3.21Å; R257-L289 VanDerWaalsContact CZ-O 3.27Å; R257-L289 PolarHBondContact NH1-O 3.14Å; R257-L289 PolarHBondContact NH2-O 3.33Å; R257-E291 VanDerWaalsContact NH2-C 3.28Å; R257-E291 PolarHBondContact NH2-O 2.96Å |
| 258 | N | 95.8 | Very high | 92.5 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 65% | 0.647 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 141 | 176.2 | -67.5 | -27.2 | 0 | 0 | 0 | 110.3 | V247 T248 | V247-N258 WeakPolarHBondContact O-CA 3.1Å; T248-N258 PolarHBondContact OG1-OD1 3.37Å |
| 259 | A | 95.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 166.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q246 V247 I249 L289 | Q246-A259 PolarHBondContact OE1-O 3.23Å; Q246-A259 VanDerWaalsContact OE1-O 3.05Å; V247-A259 HydrophobicContact CG2-CB 4.38Å; V247-A259 WeakPolarHBondContact CG2-O 3.22Å; V247-A259 PolarHBondContact N-O 3.11Å; V247-A259 PolarHBondContact O-N 2.89Å; V247-A259 VanDerWaalsContact O-O 3.08Å; I249-A259 HydrophobicContact CD1-CB 3.59Å; A259-L289 HydrophobicContact CB-CB 4.45Å; A259-L289 HydrophobicContact CB-CD2 3.83Å |
| 260 | K | 95.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.1 | 177.1 | -168.3 | 177.1 | 168.9 | -169.7 | 0 | 109.3 | N244 Q246 G262 G288 | N244-K260 VanDerWaalsContact CA-CE 3.44Å; N244-K260 VanDerWaalsContact CB-CE 3.41Å; N244-K260 VanDerWaalsContact O-CE 3.26Å; N244-K260 WeakPolarHBondContact O-CE 3.43Å; N244-K260 WeakPolarHBondContact OD1-CE 3.41Å; N244-K260 PolarHBondContact OD1-NZ 2.79Å; Q246-K260 VanDerWaalsContact OE1-CA 3.23Å; K260-G262 PolarHBondContact O-N 2.86Å; K260-G288 CarbonylContact O-C 3.44Å |
| 261 | V | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -59.3 | 122.6 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 109 | V241 K242 N244 Q245 V247 V264 I286 L289 | V241-V261 HydrophobicContact CG2-CB 4.47Å; V241-V261 HydrophobicContact CG2-CG1 4.08Å; V241-V261 HydrophobicContact CG2-CG2 3.79Å; K242-V261 WeakPolarHBondContact O-CG1 3.42Å; N244-V261 WeakPolarHBondContact CA-O 3.3Å; N244-V261 PolarHBondContact N-O 2.98Å; Q245-V261 HydrophobicContact CB-CB 4.48Å; Q245-V261 HydrophobicContact CB-CG2 4.35Å; Q245-V261 WeakPolarHBondContact O-CG2 3.42Å; Q245-V261 PolarHBondContact O-N 2.97Å; V247-V261 HydrophobicContact CG1-CG2 3.81Å; V247-V261 HydrophobicContact CG2-CG2 4.05Å; V261-V264 HydrophobicContact CG1-CG2 3.68Å; V261-I286 HydrophobicContact CG1-CG2 3.94Å; V261-I286 HydrophobicContact CG2-CG2 4.27Å; V261-L289 HydrophobicContact CG2-CD2 4.16Å | ||
| 262 | G | 94.2 | Very high | 89.4 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | trans | -77.1 | -83.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K260 T287 | K260-G262 PolarHBondContact O-N 2.86Å; G262-T287 WeakPolarHBondContact CA-O 3.5Å; G262-T287 PolarHBondContact N-O 3Å | ||
| 263 | K | 93.9 | Very high | 89.6 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | trans | -117.2 | 146.6 | 175 | -59 | 175.1 | 170.8 | -167.9 | 0 | 110.4 | L265 E274 T287 | K263-L265 HydrophobicContact CB-CD2 4.25Å; K263-E274 HydrophobicContact CD-CG 4.21Å; K263-E274 WeakPolarHBondContact CD-OE1 2.96Å; K263-E274 VanDerWaalsContact CE-OE1 3.27Å; K263-E274 WeakPolarHBondContact CE-OE1 3.43Å; K263-E274 IonicContact NZ-OE1 3.86Å; K263-E274 PolarHBondContact NZ-OE1 2.8Å; K263-E274 IonicContact NZ-OE2 2.83Å; K263-T287 WeakPolarHBondContact CA-OG1 3.21Å; K263-T287 WeakPolarHBondContact CB-OG1 3.39Å; K263-T287 PolarHBondContact N-OG1 3.09Å; K263-T287 PolarHBondContact O-N 3.39Å; K263-T287 VanDerWaalsContact O-N 3.09Å; K263-T287 PolarHBondContact O-OG1 3Å; K263-T287 VanDerWaalsContact O-OG1 3.13Å | ||
| 264 | V | 95.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.6 | 168.5 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | V241 P243 V261 E274 T275 A278 V284 | V241-V264 HydrophobicContact CG1-CG1 3.96Å; V241-V264 HydrophobicContact CG1-CG2 4.01Å; V241-V264 HydrophobicContact CG2-CG2 3.99Å; P243-V264 HydrophobicContact CG-CG2 4.33Å; V261-V264 HydrophobicContact CG1-CG2 3.68Å; V264-E274 WeakPolarHBondContact O-CA 3.42Å; V264-T275 PolarHBondContact O-N 3.45Å; V264-A278 HydrophobicContact CG1-CB 3.75Å; V264-V284 HydrophobicContact CG1-CB 4.48Å |
| 265 | L | 92.4 | Very high | 90 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.3 | -176.6 | -55.4 | 178.1 | 0 | 0 | 0 | 108.8 | K263 R272 I273 E274 V284 A285 T287 | K263-L265 HydrophobicContact CB-CD2 4.25Å; L265-R272 HydrophobicContact CB-CB 4.23Å; L265-R272 HydrophobicContact CD1-CB 4.46Å; L265-I273 CarbonylContact C-O 3.32Å; L265-I273 VanDerWaalsContact CA-O 3.3Å; L265-I273 WeakPolarHBondContact CA-O 3.43Å; L265-E274 HydrophobicContact CD2-CB 4.35Å; L265-E274 HydrophobicContact CD2-CG 3.5Å; L265-V284 WeakPolarHBondContact O-CA 3.36Å; L265-V284 WeakPolarHBondContact O-CB 3.28Å; L265-A285 HydrophobicContact CB-CB 3.81Å; L265-A285 WeakPolarHBondContact CB-O 3.22Å; L265-A285 HydrophobicContact CD1-CB 4.18Å; L265-A285 HydrophobicContact CG-CB 4.43Å; L265-A285 PolarHBondContact N-O 3.49Å; L265-A285 PolarHBondContact O-N 3.4Å; L265-T287 HydrophobicContact CD1-CG2 4.2Å |
| 266 | G | 90 | Very high | 89.9 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 162.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R272 I273 T275 | G266-R272 CarbonylContact O-C 3.53Å; G266-R272 WeakPolarHBondContact O-CA 3.36Å; G266-I273 PolarHBondContact N-O 2.87Å; G266-I273 PolarHBondContact O-N 3.33Å; G266-T275 PolarHBondContact N-OG1 3.2Å |
| 267 | H | 85.2 | Confident | 89.8 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.4 | 173.4 | -63.8 | 89.8 | 0 | 0 | 0 | 109.8 | N70 A72 I283 | N70-H267 WeakPolarHBondContact ND2-CB 3.43Å; N70-H267 PolarHBondContact ND2-ND1 3.12Å; A72-H267 HydrophobicContact CB-CB 3.87Å; A72-H267 VanDerWaalsContact CB-O 3.27Å; A72-H267 WeakPolarHBondContact CB-O 3.49Å; H267-I283 PolarHBondContact ND1-O 3.45Å |
| 268 | L | 81.6 | Confident | 89.7 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 117.9 | 169.6 | -175 | 67.5 | 0 | 0 | 0 | 109.6 | T41 K74 L270 E271 I273 | T41-L268 HydrophobicContact CG2-CD1 3.93Å; T41-L268 HydrophobicContact CG2-CG 4.29Å; K74-L268 HydrophobicContact CD-CD1 3.99Å; K74-L268 HydrophobicContact CG-CD1 4.35Å; L268-L270 PolarHBondContact O-N 3.13Å; L268-E271 PolarHBondContact N-O 2.72Å; L268-E271 PolarHBondContact O-N 3.48Å; L268-E271 VanDerWaalsContact O-N 3.16Å; L268-I273 HydrophobicContact CB-CD1 3.6Å; L268-I273 HydrophobicContact CB-CG1 4.3Å; L268-I273 HydrophobicContact CD2-CD1 3.57Å; L268-I273 HydrophobicContact CG-CD1 4.18Å |
| 269 | G | 80 | Confident | 89.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | 58.7 | -119.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T71 A72 | T71-G269 WeakPolarHBondContact CA-O 2.74Å; A72-G269 PolarHBondContact N-O 3.27Å; A72-G269 VanDerWaalsContact O-CA 3.31Å; A72-G269 WeakPolarHBondContact O-CA 3.45Å; A72-G269 PolarHBondContact O-N 3.21Å |
| 270 | L | 74.8 | Confident | 89.5 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -5 | -179.1 | -62.4 | 163.3 | 0 | 0 | 0 | 112.9 | L36 V52 M53 T71 L268 | L36-L270 HydrophobicContact CD2-CD1 4.06Å; L36-L270 HydrophobicContact CD2-CG 4.1Å; V52-L270 HydrophobicContact CB-CD1 3.39Å; V52-L270 HydrophobicContact CG1-CD1 3.36Å; V52-L270 HydrophobicContact CG2-CD1 3.95Å; M53-L270 HydrophobicContact CG-CD2 4.41Å; T71-L270 HydrophobicContact CG2-CD2 4.1Å; T71-L270 WeakPolarHBondContact OG1-CD2 3.3Å; L268-L270 PolarHBondContact O-N 3.13Å |
| 271 | E | 77.8 | Confident | 89.2 | Confident | 140 Ų | 140 | 47.2 Ų | 47.2 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 153.3 | -175.4 | -66.6 | -68 | 171.3 | 0 | 0 | 111.1 | L268 | L268-E271 PolarHBondContact N-O 2.72Å; L268-E271 PolarHBondContact O-N 3.48Å; L268-E271 VanDerWaalsContact O-N 3.16Å |
| 272 | R | 84.6 | Confident | 89.1 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.3 | 169.6 | -69.4 | -174.2 | -170 | 144.1 | 8.1 | 109.3 | D223 I233 L265 G266 | D223-R272 IonicContact OD2-CZ 3.83Å; D223-R272 VanDerWaalsContact OD2-CZ 3.28Å; D223-R272 IonicContact OD2-NH1 2.89Å; D223-R272 PolarHBondContact OD2-NH1 3.31Å; D223-R272 IonicContact OD2-NH2 3.79Å; D223-R272 PolarHBondContact OD2-NH2 2.62Å; I233-R272 VanDerWaalsContact CD1-NH2 3.3Å; L265-R272 HydrophobicContact CB-CB 4.23Å; L265-R272 HydrophobicContact CD1-CB 4.46Å; G266-R272 CarbonylContact O-C 3.53Å; G266-R272 WeakPolarHBondContact O-CA 3.36Å |
| 273 | I | 89.1 | Confident | 89 | Confident | 81 Ų | 81 | 47 Ų | 47 | 42% | 0.415 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.8 | -178.4 | -56.1 | -177.2 | 0 | 0 | 0 | 109.2 | L265 G266 L268 T275 | L265-I273 CarbonylContact C-O 3.32Å; L265-I273 VanDerWaalsContact CA-O 3.3Å; L265-I273 WeakPolarHBondContact CA-O 3.43Å; G266-I273 PolarHBondContact N-O 2.87Å; G266-I273 PolarHBondContact O-N 3.33Å; L268-I273 HydrophobicContact CB-CD1 3.6Å; L268-I273 HydrophobicContact CB-CG1 4.3Å; L268-I273 HydrophobicContact CD2-CD1 3.57Å; L268-I273 HydrophobicContact CG-CD1 4.18Å; I273-T275 PolarHBondContact O-N 3.41Å; I273-T275 PolarHBondContact O-OG1 2.92Å |
| 274 | E | 92.6 | Very high | 88.9 | Confident | 121 Ų | 121 | 43.1 Ų | 43.1 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 128.3 | 173.3 | -69.3 | -178.8 | -150.5 | 0 | 0 | 110.9 | K263 V264 L265 | K263-E274 HydrophobicContact CD-CG 4.21Å; K263-E274 WeakPolarHBondContact CD-OE1 2.96Å; K263-E274 VanDerWaalsContact CE-OE1 3.27Å; K263-E274 WeakPolarHBondContact CE-OE1 3.43Å; K263-E274 IonicContact NZ-OE1 3.86Å; K263-E274 PolarHBondContact NZ-OE1 2.8Å; K263-E274 IonicContact NZ-OE2 2.83Å; V264-E274 WeakPolarHBondContact O-CA 3.42Å; L265-E274 HydrophobicContact CD2-CB 4.35Å; L265-E274 HydrophobicContact CD2-CG 3.5Å |
| 275 | T | 91.4 | Very high | 88.9 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | trans | -124 | 138.3 | -179.3 | -45.3 | 0 | 0 | 0 | 0 | 110.2 | V264 G266 I273 L277 | V264-T275 PolarHBondContact O-N 3.45Å; G266-T275 PolarHBondContact N-OG1 3.2Å; I273-T275 PolarHBondContact O-N 3.41Å; I273-T275 PolarHBondContact O-OG1 2.92Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 WeakPolarHBondContact CG2-O 3.48Å; T275-L277 PolarHBondContact O-N 2.89Å | ||
| 276 | D | 92.3 | Very high | 88.9 | Confident | 135 Ų | 135 | 42 Ų | 42 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -73 | -20.9 | 179 | -69.3 | -41.5 | 0 | 0 | 0 | 113.7 | K242 P243 | K242-D276 WeakPolarHBondContact CG-O 3.48Å; P243-D276 VanDerWaalsContact CD-O 3.25Å; P243-D276 WeakPolarHBondContact CD-O 3.49Å |
| 277 | L | 92.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | trans | -152.6 | 129.8 | -176.7 | 179.3 | 66.7 | 0 | 0 | 0 | 110 | K240 K242 T275 E279 | K240-L277 HydrophobicContact CB-CD1 3.83Å; K240-L277 HydrophobicContact CD-CD1 4.02Å; K240-L277 HydrophobicContact CG-CD1 4.07Å; K242-L277 HydrophobicContact CD-CD1 4.41Å; K242-L277 HydrophobicContact CG-CD1 3.82Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 WeakPolarHBondContact CG2-O 3.48Å; T275-L277 PolarHBondContact O-N 2.89Å; L277-E279 HydrophobicContact CD1-CG 4.5Å; L277-E279 HydrophobicContact CD2-CG 4.13Å; L277-E279 HydrophobicContact CG-CG 4.05Å | ||
| 278 | A | 93 | Very high | 89.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I236 K240 V241 V264 V284 | I236-A278 HydrophobicContact CD1-CB 3.73Å; K240-A278 CarbonylContact C-O 3.6Å; K240-A278 WeakPolarHBondContact CA-O 3.26Å; K240-A278 WeakPolarHBondContact CB-O 3.43Å; V241-A278 HydrophobicContact CG1-CB 3.92Å; V241-A278 PolarHBondContact N-O 3.07Å; V241-A278 PolarHBondContact O-N 2.87Å; V264-A278 HydrophobicContact CG1-CB 3.75Å; A278-V284 HydrophobicContact CB-CB 4.49Å; A278-V284 HydrophobicContact CB-CG1 3.63Å; A278-V284 HydrophobicContact CB-CG2 4.37Å |
| 279 | E | 93.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 40 Ų | 40 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 168.5 | -171.8 | -60.9 | -176 | 119.1 | 0 | 0 | 111 | L211 K240 L277 G281 D282 | L211-E279 HydrophobicContact CD2-CB 4.09Å; K240-E279 HydrophobicContact CB-CG 4.35Å; L277-E279 HydrophobicContact CD1-CG 4.5Å; L277-E279 HydrophobicContact CD2-CG 4.13Å; L277-E279 HydrophobicContact CG-CG 4.05Å; E279-G281 PolarHBondContact O-N 3.26Å; E279-D282 PolarHBondContact N-OD2 3.25Å; E279-D282 VanDerWaalsContact O-CB 3.31Å; E279-D282 WeakPolarHBondContact O-CB 3.35Å; E279-D282 PolarHBondContact O-N 2.83Å; E279-D282 VanDerWaalsContact O-N 3.09Å |
| 280 | A | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 135.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V209 D210 L211 I236 G239 | V209-A280 HydrophobicContact CB-CB 3.78Å; V209-A280 HydrophobicContact CG2-CB 3.78Å; D210-A280 WeakPolarHBondContact O-CB 3.46Å; L211-A280 HydrophobicContact CD2-CB 4.2Å; I236-A280 HydrophobicContact CG2-CB 4.3Å; G239-A280 PolarHBondContact O-N 2.8Å |
| 281 | G | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -21.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L15 N17 I236 E279 | L15-G281 WeakPolarHBondContact CD2-O 3.36Å; N17-G281 PolarHBondContact ND2-O 3.3Å; I236-G281 PolarHBondContact O-N 2.87Å; E279-G281 PolarHBondContact O-N 3.26Å |
| 282 | D | 91.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | trans | -71.4 | 138.5 | 178.4 | -73.8 | -27.8 | 0 | 0 | 0 | 112.1 | L15 R79 R235 I236 E279 V284 | L15-D282 VanDerWaalsContact CD1-OD1 3.24Å; L15-D282 WeakPolarHBondContact CD1-OD1 3.17Å; R79-D282 IonicContact CZ-OD1 3.94Å; R79-D282 IonicContact NH1-OD1 3.84Å; R79-D282 PolarHBondContact NH1-OD1 2.77Å; R79-D282 IonicContact NH1-OD2 2.68Å; R79-D282 PolarHBondContact NH1-OD2 2.83Å; R235-D282 WeakPolarHBondContact CA-O 3.25Å; I236-D282 PolarHBondContact N-O 3.17Å; E279-D282 PolarHBondContact N-OD2 3.25Å; E279-D282 VanDerWaalsContact O-CB 3.31Å; E279-D282 WeakPolarHBondContact O-CB 3.35Å; E279-D282 PolarHBondContact O-N 2.83Å; E279-D282 VanDerWaalsContact O-N 3.09Å; D282-V284 HydrophobicContact CB-CG1 3.92Å | ||
| 283 | I | 92.4 | Very high | 91.5 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.6 | 167.3 | -60.3 | 177.1 | 0 | 0 | 0 | 108.4 | N17 N81 V83 M101 I233 G234 R235 H267 | N17-I283 HydrophobicContact CB-CD1 4.33Å; N81-I283 HydrophobicContact CB-CD1 4.11Å; V83-I283 HydrophobicContact CG2-CD1 3.82Å; M101-I283 HydrophobicContact CB-CD1 4.34Å; M101-I283 HydrophobicContact SD-CG2 4.47Å; I233-I283 HydrophobicContact CG2-CG2 4.49Å; G234-I283 WeakPolarHBondContact O-CA 3.31Å; R235-I283 HydrophobicContact CB-CG1 4.26Å; H267-I283 PolarHBondContact ND1-O 3.45Å |
| 284 | V | 93.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 158.1 | -173.7 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | M217 I233 G234 I236 V264 L265 A278 D282 I286 | M217-V284 HydrophobicContact CE-CG2 3.96Å; M217-V284 WeakPolarHBondContact CE-O 3.35Å; M217-V284 HydrophobicContact SD-CG2 4Å; I233-V284 WeakPolarHBondContact CA-O 3.49Å; G234-V284 PolarHBondContact N-O 2.9Å; G234-V284 VanDerWaalsContact N-O 3.16Å; G234-V284 PolarHBondContact O-N 3.27Å; I236-V284 HydrophobicContact CD1-CG2 3.95Å; I236-V284 HydrophobicContact CG1-CG2 4.07Å; V264-V284 HydrophobicContact CG1-CB 4.48Å; L265-V284 WeakPolarHBondContact O-CA 3.36Å; L265-V284 WeakPolarHBondContact O-CB 3.28Å; A278-V284 HydrophobicContact CB-CB 4.49Å; A278-V284 HydrophobicContact CB-CG1 3.63Å; A278-V284 HydrophobicContact CB-CG2 4.37Å; D282-V284 HydrophobicContact CB-CG1 3.92Å; V284-I286 HydrophobicContact CG2-CG1 4.29Å |
| 285 | A | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I231 G232 I233 L265 | I231-A285 HydrophobicContact CG2-CB 3.45Å; I231-A285 VanDerWaalsContact CG2-CB 3.45Å; G232-A285 CarbonylContact O-C 3.46Å; G232-A285 WeakPolarHBondContact O-CA 3.34Å; I233-A285 HydrophobicContact CG1-CB 3.92Å; L265-A285 HydrophobicContact CB-CB 3.81Å; L265-A285 WeakPolarHBondContact CB-O 3.22Å; L265-A285 HydrophobicContact CD1-CB 4.18Å; L265-A285 HydrophobicContact CG-CB 4.43Å; L265-A285 PolarHBondContact N-O 3.49Å; L265-A285 PolarHBondContact O-N 3.4Å |
| 286 | I | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.8 | 175.9 | -60.1 | -179.7 | 0 | 0 | 0 | 109.8 | F215 M217 I231 G232 V241 V261 V284 L289 | F215-I286 HydrophobicContact CE1-CD1 4.5Å; F215-I286 HydrophobicContact CZ-CD1 3.85Å; M217-I286 HydrophobicContact CE-CD1 4.14Å; M217-I286 HydrophobicContact CE-CG1 4.25Å; M217-I286 HydrophobicContact SD-CD1 3.33Å; M217-I286 WeakPolarHBondContact SD-CD1 3.31Å; M217-I286 HydrophobicContact SD-CG1 4.05Å; I231-I286 WeakPolarHBondContact CA-O 2.93Å; G232-I286 PolarHBondContact N-O 3.04Å; G232-I286 PolarHBondContact O-N 3.11Å; V241-I286 HydrophobicContact CG1-CD1 4.13Å; V241-I286 HydrophobicContact CG2-CD1 4.13Å; V261-I286 HydrophobicContact CG1-CG2 3.94Å; V261-I286 HydrophobicContact CG2-CG2 4.27Å; V284-I286 HydrophobicContact CG2-CG1 4.29Å; I286-L289 HydrophobicContact CB-CD1 4.35Å; I286-L289 HydrophobicContact CG2-CD1 3.63Å; I286-L289 HydrophobicContact CG2-CD2 4.39Å; I286-L289 HydrophobicContact CG2-CG 3.88Å |
| 287 | T | 94 | Very high | 91.4 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.8 | -179 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | V228 I231 G262 K263 L265 L289 | V228-T287 HydrophobicContact CG1-CG2 3.47Å; V228-T287 VanDerWaalsContact CG1-CG2 3.47Å; I231-T287 HydrophobicContact CB-CG2 4.31Å; I231-T287 HydrophobicContact CD1-CG2 4.47Å; I231-T287 HydrophobicContact CG1-CG2 3.91Å; I231-T287 HydrophobicContact CG2-CG2 4.04Å; G262-T287 WeakPolarHBondContact CA-O 3.5Å; G262-T287 PolarHBondContact N-O 3Å; K263-T287 WeakPolarHBondContact CA-OG1 3.21Å; K263-T287 WeakPolarHBondContact CB-OG1 3.39Å; K263-T287 PolarHBondContact N-OG1 3.09Å; K263-T287 PolarHBondContact O-N 3.39Å; K263-T287 VanDerWaalsContact O-N 3.09Å; K263-T287 PolarHBondContact O-OG1 3Å; K263-T287 VanDerWaalsContact O-OG1 3.13Å; L265-T287 HydrophobicContact CD1-CG2 4.2Å; T287-L289 VanDerWaalsContact C-N 3.35Å |
| 288 | G | 91.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 22 Ų | 22 | 45% | 0.454 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 81.6 | 8.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K260 | K260-G288 CarbonylContact O-C 3.44Š|
| 289 | L | 91.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -90.4 | 0.2 | -178.2 | -59.5 | -172.8 | 0 | 0 | 0 | 114.2 | V247 I249 R257 A259 V261 I286 T287 L292 V298 | V247-L289 HydrophobicContact CG2-CD2 3.6Å; I249-L289 HydrophobicContact CD1-CB 4.04Å; R257-L289 VanDerWaalsContact CZ-O 3.27Å; R257-L289 PolarHBondContact NH1-O 3.14Å; R257-L289 PolarHBondContact NH2-O 3.33Å; A259-L289 HydrophobicContact CB-CB 4.45Å; A259-L289 HydrophobicContact CB-CD2 3.83Å; V261-L289 HydrophobicContact CG2-CD2 4.16Å; I286-L289 HydrophobicContact CB-CD1 4.35Å; I286-L289 HydrophobicContact CG2-CD1 3.63Å; I286-L289 HydrophobicContact CG2-CD2 4.39Å; I286-L289 HydrophobicContact CG2-CG 3.88Å; T287-L289 VanDerWaalsContact C-N 3.35Å; L289-L292 HydrophobicContact CB-CD1 4.02Å; L289-L292 HydrophobicContact CB-CD2 3.93Å; L289-L292 HydrophobicContact CB-CG 4.03Å; L289-L292 HydrophobicContact CD1-CD1 4.05Å; L289-L292 HydrophobicContact CD1-CD2 4.13Å; L289-V298 HydrophobicContact CD1-CG1 3.99Å; L289-V298 HydrophobicContact CD1-CG2 3.87Å |
| 290 | G | 88.5 | Confident | 91.9 | Very high | 44 Ų | 44 | 21.3 Ų | 21.3 | 45% | 0.454 | 13% | 0.131 | S | C | . | . | trans | 74.5 | -151.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L292 | G290-L292 PolarHBondContact O-N 3.08Š| ||
| 291 | E | 86.2 | Confident | 92 | Very high | 162 Ų | 162 | 24.2 Ų | 24.2 | 76% | 0.757 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -73.6 | 103 | -179.8 | -68.1 | -179 | 170.6 | 0 | 0 | 111.4 | R257 | R257-E291 VanDerWaalsContact NH2-C 3.28Å; R257-E291 PolarHBondContact NH2-O 2.96Å |
| 292 | L | 89.2 | Confident | 92.2 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -91.3 | 146.4 | 173 | -67.6 | 168.9 | 0 | 0 | 0 | 109.9 | I219 L222 V230 I249 L289 G290 | I219-L292 HydrophobicContact CD1-CD1 4.27Å; I219-L292 HydrophobicContact CG1-CD1 4.27Å; I219-L292 HydrophobicContact CG1-CD2 4.38Å; L222-L292 VanDerWaalsContact CD1-O 3.23Å; L222-L292 WeakPolarHBondContact CD1-O 3.2Å; L222-L292 HydrophobicContact CD2-CB 3.66Å; V230-L292 HydrophobicContact CG1-CB 4.27Å; I249-L292 HydrophobicContact CD1-CD2 4.05Å; I249-L292 HydrophobicContact CG1-CD2 4.23Å; I249-L292 HydrophobicContact CG2-CD2 4.25Å; L289-L292 HydrophobicContact CB-CD1 4.02Å; L289-L292 HydrophobicContact CB-CD2 3.93Å; L289-L292 HydrophobicContact CB-CG 4.03Å; L289-L292 HydrophobicContact CD1-CD1 4.05Å; L289-L292 HydrophobicContact CD1-CD2 4.13Å; G290-L292 PolarHBondContact O-N 3.08Å | ||
| 293 | N | 86.6 | Confident | 92.3 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | trans | -109.3 | 159.6 | 168.6 | -60.9 | -68.6 | 0 | 0 | 0 | 110.7 | D296 | N293-D296 PolarHBondContact N-OD2 2.99Å; N293-D296 VanDerWaalsContact O-CB 3.3Å; N293-D296 WeakPolarHBondContact O-CB 3.39Å; N293-D296 PolarHBondContact O-N 3.37Å | ||
| 294 | I | 86.1 | Confident | 92.4 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 140.4 | 169.6 | -68.5 | -172.7 | 0 | 0 | 0 | 109.1 | R97 L222 D296 L310 V353 | R97-I294 VanDerWaalsContact CD-CD1 3.45Å; R97-I294 VanDerWaalsContact CD-CG2 3.47Å; R97-I294 HydrophobicContact CG-CG2 4.33Å; L222-I294 HydrophobicContact CD1-CG1 3.97Å; L222-I294 HydrophobicContact CG-CG1 4.1Å; I294-D296 VanDerWaalsContact C-N 3.27Å; I294-L310 HydrophobicContact CG2-CD1 4.43Å; I294-V353 HydrophobicContact CB-CG1 4.37Å; I294-V353 HydrophobicContact CB-CG2 3.98Å; I294-V353 HydrophobicContact CD1-CB 3.85Å; I294-V353 HydrophobicContact CD1-CG2 3.13Å; I294-V353 HydrophobicContact CG1-CB 4.44Å; I294-V353 HydrophobicContact CG1-CG2 3.49Å; I294-V353 VanDerWaalsContact CG1-CG2 3.49Å |
| 295 | S | 88.5 | Confident | 92.4 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -7.9 | -172.1 | -49.4 | 0 | 0 | 0 | 0 | 116 | I219 T297 L310 | I219-S295 PolarHBondContact O-N 3.5Å; S295-T297 PolarHBondContact O-N 3.27Å; S295-L310 WeakPolarHBondContact OG-CB 3.45Å; S295-L310 PolarHBondContact OG-N 3.28Å; S295-L310 PolarHBondContact OG-O 3.44Å |
| 296 | D | 93.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | trans | -56.3 | 135.7 | 170.2 | -78.2 | -2.3 | 0 | 0 | 0 | 109.4 | I219 I249 D251 N293 I294 | I219-D296 HydrophobicContact CG1-CB 4.37Å; I219-D296 PolarHBondContact N-O 3.41Å; I249-D296 HydrophobicContact CG2-CB 3.88Å; D251-D296 WeakPolarHBondContact CA-OD1 3.48Å; D251-D296 WeakPolarHBondContact CB-OD1 3.38Å; N293-D296 PolarHBondContact N-OD2 2.99Å; N293-D296 VanDerWaalsContact O-CB 3.3Å; N293-D296 WeakPolarHBondContact O-CB 3.39Å; N293-D296 PolarHBondContact O-N 3.37Å; I294-D296 VanDerWaalsContact C-N 3.27Å | ||
| 297 | T | 96.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.8 | 175.2 | -49.4 | 0 | 0 | 0 | 0 | 109.4 | Q216 M217 I249 I250 S295 L307 | Q216-T297 HydrophobicContact CG-CG2 3.66Å; M217-T297 CarbonylContact O-C 3.3Å; I249-T297 WeakPolarHBondContact CA-O 3.37Å; I250-T297 WeakPolarHBondContact CG2-O 3.38Å; I250-T297 PolarHBondContact N-O 3.14Å; I250-T297 PolarHBondContact O-N 2.95Å; S295-T297 PolarHBondContact O-N 3.27Å; T297-L307 HydrophobicContact CG2-CB 4.3Å; T297-L307 HydrophobicContact CG2-CD1 4.14Å; T297-L307 HydrophobicContact CG2-CG 4.04Å; T297-L307 PolarHBondContact OG1-N 3.03Å |
| 298 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 117.6 | 174.1 | -166.3 | 0 | 0 | 0 | 0 | 108.4 | F215 Q216 M217 I219 V247 I249 L289 | F215-V298 HydrophobicContact CE1-CB 4.08Å; F215-V298 HydrophobicContact CE1-CG1 3.73Å; Q216-V298 CarbonylContact C-O 3.54Å; Q216-V298 WeakPolarHBondContact CA-O 3.5Å; M217-V298 PolarHBondContact N-O 2.82Å; M217-V298 PolarHBondContact O-N 3.49Å; I219-V298 HydrophobicContact CD1-CG2 3.81Å; I219-V298 HydrophobicContact CG1-CG2 4.02Å; V247-V298 HydrophobicContact CB-CG1 3.7Å; V247-V298 HydrophobicContact CG1-CG1 4.05Å; V247-V298 HydrophobicContact CG2-CG1 3.64Å; I249-V298 HydrophobicContact CG1-CG1 4.33Å; I249-V298 HydrophobicContact CG1-CG2 4.28Å; L289-V298 HydrophobicContact CD1-CG1 3.99Å; L289-V298 HydrophobicContact CD1-CG2 3.87Å |
| 299 | C | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 160.1 | -174.3 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | F215 V247 T248 E305 | F215-C299 CarbonylContact O-C 3.58Å; F215-C299 VanDerWaalsContact O-CA 3.23Å; F215-C299 WeakPolarHBondContact O-CA 3.23Å; V247-C299 CarbonylContact C-O 3.59Å; V247-C299 VanDerWaalsContact CA-O 3.3Å; V247-C299 WeakPolarHBondContact CA-O 3.34Å; V247-C299 WeakPolarHBondContact CB-O 3.4Å; T248-C299 PolarHBondContact N-O 3.42Å; T248-C299 PolarHBondContact O-N 2.88Å; C299-E305 PolarHBondContact SG-O 2.93Å |
| 300 | D | 96.1 | Very high | 91.2 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 139.1 | 160.1 | -174.1 | 77.1 | 0 | 0 | 0 | 110.9 | P214 F215 Q302 N303 | P214-D300 HydrophobicContact CB-CB 3.99Å; F215-D300 HydrophobicContact CB-CB 4.22Å; F215-D300 PolarHBondContact O-N 3.09Å; D300-Q302 PolarHBondContact O-N 2.72Å; D300-Q302 VanDerWaalsContact O-N 3.14Å; D300-Q302 VanDerWaalsContact OD2-CB 3.3Å; D300-Q302 WeakPolarHBondContact OD2-CB 3.37Å; D300-Q302 PolarHBondContact OD2-N 3.02Å; D300-N303 CarbonylContact O-C 3.55Å; D300-N303 PolarHBondContact O-N 2.82Å |
| 301 | T | 95.7 | Very high | 90.3 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.3 | -177 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | Q246 | Q246-T301 HydrophobicContact CB-CG2 4.06Š|
| 302 | Q | 93.8 | Very high | 89.4 | Confident | 168 Ų | 168 | 47.5 Ų | 47.5 | 79% | 0.785 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.8 | 178.5 | -57.9 | -174.2 | -1.2 | 0 | 0 | 112.6 | D300 | D300-Q302 PolarHBondContact O-N 2.72Å; D300-Q302 VanDerWaalsContact O-N 3.14Å; D300-Q302 VanDerWaalsContact OD2-CB 3.3Å; D300-Q302 WeakPolarHBondContact OD2-CB 3.37Å; D300-Q302 PolarHBondContact OD2-N 3.02Å |
| 303 | N | 94.2 | Very high | 88.5 | Confident | 81 Ų | 81 | 49 Ų | 49 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | trans | -142.6 | 74.7 | -171.9 | -69.2 | 94.7 | 0 | 0 | 0 | 110.6 | P214 D300 E305 | P214-N303 HydrophobicContact CB-CB 3.51Å; P214-N303 HydrophobicContact CG-CB 3.55Å; D300-N303 CarbonylContact O-C 3.55Å; D300-N303 PolarHBondContact O-N 2.82Å; N303-E305 PolarHBondContact O-N 3.29Å | ||
| 304 | V | 94.4 | Very high | 88 | Confident | 60 Ų | 60 | 49 Ų | 49 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -84.2 | 109 | 179.9 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | T248 I250 T256 | T248-V304 HydrophobicContact CG2-CG1 3.91Å; T248-V304 HydrophobicContact CG2-CG2 3.74Å; I250-V304 HydrophobicContact CB-CG1 4Å; I250-V304 HydrophobicContact CD1-CG1 4.21Å; I250-V304 HydrophobicContact CG2-CG1 4.18Å; T256-V304 HydrophobicContact CG2-CG1 4.04Å | ||
| 305 | E | 93.3 | Very high | 87.9 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | trans | -140 | 115.5 | -179.6 | -174.9 | -173.1 | 161.2 | 0 | 0 | 109.1 | Q216 R238 C299 N303 | Q216-E305 PolarHBondContact NE2-O 3.37Å; R238-E305 IonicContact CZ-OE2 3.23Å; R238-E305 VanDerWaalsContact CZ-OE2 3.23Å; R238-E305 IonicContact NH1-OE2 2.78Å; R238-E305 PolarHBondContact NH1-OE2 2.92Å; R238-E305 IonicContact NH2-OE2 2.71Å; R238-E305 PolarHBondContact NH2-OE2 2.91Å; C299-E305 PolarHBondContact SG-O 2.93Å; N303-E305 PolarHBondContact O-N 3.29Å | ||
| 306 | A | 93 | Very high | 87.6 | Confident | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 140.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I250 | I250-A306 HydrophobicContact CD1-CB 3.92Å; I250-A306 HydrophobicContact CG1-CB 4.12Å; I250-A306 HydrophobicContact CG2-CB 3.74Å |
| 307 | L | 91.8 | Very high | 87.4 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 154.7 | 166.2 | -74.1 | 169.9 | 0 | 0 | 0 | 110.2 | Q216 Q218 K237 T297 A309 | Q216-L307 HydrophobicContact CG-CD1 3.99Å; Q216-L307 HydrophobicContact CG-CG 4.1Å; Q218-L307 HydrophobicContact CB-CB 4.43Å; Q218-L307 HydrophobicContact CB-CD1 3.76Å; K237-L307 HydrophobicContact CB-CD1 4.1Å; K237-L307 HydrophobicContact CG-CD1 4.48Å; K237-L307 HydrophobicContact CG-CD2 4.44Å; T297-L307 HydrophobicContact CG2-CB 4.3Å; T297-L307 HydrophobicContact CG2-CD1 4.14Å; T297-L307 HydrophobicContact CG2-CG 4.04Å; T297-L307 PolarHBondContact OG1-N 3.03Å; L307-A309 PolarHBondContact O-N 3.32Å |
| 308 | P | 88 | Confident | 87.2 | Confident | 108 Ų | 108 | 50 Ų | 50 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 130.9 | 174.6 | -24.2 | 33.7 | 0 | 0 | 0 | 110.6 | Q218 L310 | Q218-P308 PolarHBondContact NE2-O 3.46Å; P308-L310 PolarHBondContact O-N 2.62Å |
| 309 | A | 85.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 50 Ų | 50 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L307 | L307-A309 PolarHBondContact O-N 3.32Š|
| 310 | L | 80.9 | Confident | 87 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 143.5 | 171.7 | -58.2 | 171.8 | 0 | 0 | 0 | 107.9 | R97 S100 Q218 I294 S295 P308 V312 | R97-L310 HydrophobicContact CG-CD1 4.08Å; S100-L310 VanDerWaalsContact CB-CD2 3.41Å; Q218-L310 HydrophobicContact CG-CD1 4.44Å; I294-L310 HydrophobicContact CG2-CD1 4.43Å; S295-L310 WeakPolarHBondContact OG-CB 3.45Å; S295-L310 PolarHBondContact OG-N 3.28Å; S295-L310 PolarHBondContact OG-O 3.44Å; P308-L310 PolarHBondContact O-N 2.62Å; L310-V312 PolarHBondContact O-N 3.44Å; L310-V312 VanDerWaalsContact O-N 3.13Å |
| 311 | S | 70 | Confident | 87 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 119.5 | 173.5 | 30.4 | 0 | 0 | 0 | 0 | 109.4 | E96 | E96-S311 WeakPolarHBondContact OE2-CB 3.27Å; E96-S311 PolarHBondContact OE2-OG 2.88Å |
| 312 | V | 67.5 | Low | 87 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -94.6 | 109 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 104.9 | L310 V353 | L310-V312 PolarHBondContact O-N 3.44Å; L310-V312 VanDerWaalsContact O-N 3.13Å; V312-V353 HydrophobicContact CG1-CG1 3.69Å; V312-V353 HydrophobicContact CG2-CG1 3.95Å | ||
| 313 | D | 70 | Confident | 87.1 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | trans | -58.1 | 152.1 | 173.2 | -69.7 | -37.8 | 0 | 0 | 0 | 109.2 | G92 G93 R371 | G92-D313 VanDerWaalsContact C-OD2 3.24Å; G93-D313 WeakPolarHBondContact CA-OD2 3.27Å; G93-D313 PolarHBondContact N-OD2 3.04Å; D313-R371 VanDerWaalsContact CB-NH1 3.34Å; D313-R371 VanDerWaalsContact CB-NH2 3.28Å; D313-R371 PolarHBondContact O-NH2 2.89Å; D313-R371 IonicContact OD2-NE 2.68Å; D313-R371 PolarHBondContact OD2-NE 3.21Å | ||
| 314 | E | 75.8 | Confident | 87.1 | Confident | 97 Ų | 97 | 38.5 Ų | 38.5 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | trans | -106 | 131.7 | -179.5 | -73.3 | -65.5 | 163.9 | 0 | 0 | 113.7 | R371 | E314-R371 VanDerWaalsContact C-CZ 3.48Å; E314-R371 VanDerWaalsContact CA-NH2 3.26Å; E314-R371 PolarHBondContact O-NH1 3.01Å; E314-R371 PolarHBondContact O-NH2 3.33Å | ||
| 315 | P | 84.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | trans | -55.6 | 149.4 | -171.8 | 26.7 | -36.5 | 0 | 0 | 0 | 112.9 | R356 G370 I398 R400 | P315-R356 HydrophobicContact CG-CG 3.8Å; P315-G370 CarbonylContact C-O 3.53Å; P315-G370 VanDerWaalsContact CA-O 3.27Å; P315-G370 WeakPolarHBondContact CA-O 3.34Å; P315-G370 WeakPolarHBondContact CB-O 3.45Å; P315-I398 HydrophobicContact CB-CD1 4.06Å; P315-I398 HydrophobicContact CG-CD1 4.26Å; P315-R400 PolarHBondContact O-NH2 2.95Å | ||
| 316 | T | 83.1 | Confident | 87.1 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | trans | -120.6 | -21 | -176.1 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | G370 R371 V397 I398 F479 | T316-G370 PolarHBondContact N-O 2.98Å; T316-R371 VanDerWaalsContact OG1-C 3.27Å; T316-R371 PolarHBondContact OG1-O 3.2Å; T316-V397 WeakPolarHBondContact O-CA 3.49Å; T316-I398 PolarHBondContact O-N 3.22Å; T316-F479 HydrophobicContact CG2-CD2 4.15Å; T316-F479 HydrophobicContact CG2-CE2 4.37Å | ||
| 317 | V | 87.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.5 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | S369 G370 L376 P395 K396 | V317-S369 CarbonylContact O-C 3.49Å; V317-S369 VanDerWaalsContact O-CA 3.26Å; V317-S369 WeakPolarHBondContact O-CA 3Å; V317-G370 PolarHBondContact N-O 2.98Å; V317-G370 PolarHBondContact O-N 3.47Å; V317-L376 HydrophobicContact CB-CD1 4.49Å; V317-L376 HydrophobicContact CG1-CD1 4.08Å; V317-P395 HydrophobicContact CG1-CB 3.58Å; V317-K396 CarbonylContact C-O 3.55Å; V317-K396 WeakPolarHBondContact CA-O 3.4Å |
| 318 | S | 92.9 | Very high | 87.3 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.7 | 176 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | V368 S369 P395 K396 | S318-V368 CarbonylContact C-O 3.47Å; S318-V368 WeakPolarHBondContact CA-O 3.24Å; S318-S369 WeakPolarHBondContact CB-OG 3.12Å; S318-P395 CarbonylContact O-C 3.58Å; S318-P395 WeakPolarHBondContact O-CA 3.34Å; S318-K396 PolarHBondContact N-O 3.08Å; S318-K396 PolarHBondContact O-N 2.86Å; S318-K396 PolarHBondContact OG-O 2.8Å |
| 319 | M | 93.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161.7 | 168.4 | 68.1 | -178.1 | 57.9 | 0 | 0 | 110.1 | F321 V368 L376 I380 V392 P395 L579 | M319-F321 HydrophobicContact CG-CD1 3.86Å; M319-F321 HydrophobicContact CG-CE1 3.51Å; M319-F321 HydrophobicContact SD-CD1 4.31Å; M319-F321 HydrophobicContact SD-CE1 3.58Å; M319-F321 VanDerWaalsContact SD-CE1 3.58Å; M319-F321 HydrophobicContact SD-CZ 4.41Å; M319-V368 PolarHBondContact N-O 2.79Å; M319-V368 PolarHBondContact O-N 3.26Å; M319-L376 HydrophobicContact CE-CB 3.8Å; M319-L376 HydrophobicContact CE-CD1 3.66Å; M319-L376 HydrophobicContact CE-CG 4.38Å; M319-L376 HydrophobicContact CG-CD1 4.1Å; M319-L376 HydrophobicContact SD-CB 4.22Å; M319-L376 HydrophobicContact SD-CD1 4.28Å; M319-I380 HydrophobicContact SD-CD1 3.81Å; M319-V392 HydrophobicContact SD-CB 4.37Å; M319-P395 HydrophobicContact CE-CB 3.79Å; M319-P395 HydrophobicContact CE-CG 4.31Å; M319-L579 HydrophobicContact CE-CD2 4.3Å; M319-L579 HydrophobicContact SD-CD2 4.35Å |
| 320 | F | 95.6 | Very high | 87.8 | Confident | 63 Ų | 63 | 30.9 Ų | 30.9 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.8 | 174.8 | -64.2 | -77.1 | 0 | 0 | 0 | 110.6 | T360 F366 R367 V392 S393 | F320-T360 HydrophobicContact CD1-CG2 4.02Å; F320-T360 HydrophobicContact CE1-CG2 3.79Å; F320-F366 CarbonylContact C-O 3.59Å; F320-F366 VanDerWaalsContact CA-O 3.3Å; F320-F366 WeakPolarHBondContact CA-O 3.44Å; F320-R367 HydrophobicContact CD1-CB 4.12Å; F320-R367 HydrophobicContact CE1-CB 3.93Å; F320-R367 HydrophobicContact CE1-CG 4.37Å; F320-V392 CarbonylContact O-C 3.37Å; F320-V392 VanDerWaalsContact O-CA 3.27Å; F320-V392 WeakPolarHBondContact O-CA 3.48Å; F320-S393 PolarHBondContact N-OG 3.18Å; F320-S393 PolarHBondContact O-N 3.17Å |
| 321 | F | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.4 | 168.8 | -79.1 | 47.3 | 0 | 0 | 0 | 107.1 | M319 L345 A365 F366 V368 L379 I380 M383 L390 V392 | M319-F321 HydrophobicContact CG-CD1 3.86Å; M319-F321 HydrophobicContact CG-CE1 3.51Å; M319-F321 HydrophobicContact SD-CD1 4.31Å; M319-F321 HydrophobicContact SD-CE1 3.58Å; M319-F321 VanDerWaalsContact SD-CE1 3.58Å; M319-F321 HydrophobicContact SD-CZ 4.41Å; F321-L345 HydrophobicContact CD2-CD2 4.09Å; F321-L345 HydrophobicContact CE2-CD2 4.25Å; F321-A365 WeakPolarHBondContact O-CA 3.36Å; F321-F366 PolarHBondContact N-O 2.88Å; F321-F366 PolarHBondContact O-N 2.88Å; F321-V368 HydrophobicContact CB-CG2 3.92Å; F321-V368 HydrophobicContact CD1-CB 3.67Å; F321-V368 HydrophobicContact CD1-CG1 4.46Å; F321-V368 HydrophobicContact CD1-CG2 3.45Å; F321-V368 VanDerWaalsContact CD1-CG2 3.45Å; F321-V368 HydrophobicContact CD2-CG2 4.12Å; F321-V368 HydrophobicContact CE1-CB 3.68Å; F321-V368 HydrophobicContact CE1-CG1 4.05Å; F321-V368 HydrophobicContact CE1-CG2 3.89Å; F321-V368 HydrophobicContact CG-CB 4.3Å; F321-V368 HydrophobicContact CG-CG2 3.58Å; F321-V368 HydrophobicContact CZ-CB 4.32Å; F321-V368 HydrophobicContact CZ-CG1 4.25Å; F321-V368 HydrophobicContact CZ-CG2 4.39Å; F321-L379 HydrophobicContact CE2-CD2 4.2Å; F321-L379 HydrophobicContact CE2-CG 4.34Å; F321-L379 HydrophobicContact CZ-CD2 4.17Å; F321-L379 HydrophobicContact CZ-CG 4.49Å; F321-I380 HydrophobicContact CE1-CD1 4.24Å; F321-I380 HydrophobicContact CE1-CG1 4.19Å; F321-I380 HydrophobicContact CE2-CG1 3.66Å; F321-I380 HydrophobicContact CZ-CD1 3.85Å; F321-I380 HydrophobicContact CZ-CG1 3.35Å; F321-M383 HydrophobicContact CD2-SD 4.34Å; F321-M383 HydrophobicContact CE2-SD 4.04Å; F321-L390 HydrophobicContact CB-CD1 4.44Å; F321-L390 HydrophobicContact CD2-CD1 3.42Å; F321-L390 VanDerWaalsContact CD2-CD1 3.42Å; F321-L390 HydrophobicContact CE2-CD1 3.94Å; F321-L390 HydrophobicContact CG-CD1 4.11Å; F321-V392 HydrophobicContact CD1-CG1 4.04Å; F321-V392 HydrophobicContact CD2-CG1 4.39Å; F321-V392 HydrophobicContact CE1-CG1 4.25Å; F321-V392 HydrophobicContact CG-CG1 4.13Å |
| 322 | C | 95.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.2 | -174.9 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | D364 A365 L390 A391 | C322-D364 CarbonylContact C-O 3.55Å; C322-D364 WeakPolarHBondContact CA-O 3.29Å; C322-A365 VanDerWaalsContact SG-CB 3.58Å; C322-L390 WeakPolarHBondContact O-CA 3.35Å; C322-A391 HydrophobicContact CB-CB 4.37Å; C322-A391 PolarHBondContact N-O 3.35Å; C322-A391 PolarHBondContact O-N 2.93Å |
| 323 | V | 95.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 140.4 | 164.5 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | T325 V336 S338 I341 D364 | V323-T325 PolarHBondContact O-N 3.07Å; V323-T325 VanDerWaalsContact O-N 3.08Å; V323-V336 VanDerWaalsContact CG1-O 3.3Å; V323-V336 WeakPolarHBondContact CG1-O 3.23Å; V323-S338 VanDerWaalsContact CG2-CA 3.49Å; V323-I341 HydrophobicContact CG2-CD1 3.97Å; V323-D364 HydrophobicContact CB-CB 4.07Å; V323-D364 HydrophobicContact CG2-CB 4.12Å; V323-D364 PolarHBondContact N-O 3.42Å |
| 324 | N | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -70.8 | 107.4 | 174.8 | -171.7 | 14.6 | 0 | 0 | 0 | 110.9 | S326 C329 E389 E589 | N324-S326 PolarHBondContact ND2-OG 3.27Å; N324-S326 VanDerWaalsContact OD1-CB 3.22Å; N324-S326 WeakPolarHBondContact OD1-CB 3.47Å; N324-S326 PolarHBondContact OD1-N 3.49Å; N324-S326 PolarHBondContact OD1-OG 3.34Å; N324-C329 WeakPolarHBondContact O-CB 3.47Å; N324-C329 PolarHBondContact O-SG 2.81Å; N324-E389 HydrophobicContact CB-CG 3.99Å; N324-E389 PolarHBondContact ND2-OE1 3.22Å; N324-E589 PolarHBondContact ND2-OE1 3.34Å | ||
| 325 | T | 93.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | trans | -99.2 | 20.3 | 176.3 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | V323 | V323-T325 PolarHBondContact O-N 3.07Å; V323-T325 VanDerWaalsContact O-N 3.08Å | ||
| 326 | S | 93.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.5 | 162 | 178.3 | 86.4 | 0 | 0 | 0 | 0 | 111.6 | N324 F328 C329 E589 | N324-S326 PolarHBondContact ND2-OG 3.27Å; N324-S326 VanDerWaalsContact OD1-CB 3.22Å; N324-S326 WeakPolarHBondContact OD1-CB 3.47Å; N324-S326 PolarHBondContact OD1-N 3.49Å; N324-S326 PolarHBondContact OD1-OG 3.34Å; S326-F328 PolarHBondContact O-N 2.98Å; S326-F328 WeakPolarHBondContact OG-CA 3.27Å; S326-F328 PolarHBondContact OG-N 3.5Å; S326-C329 VanDerWaalsContact O-CB 3.25Å; S326-C329 WeakPolarHBondContact O-CB 3.25Å; S326-C329 PolarHBondContact O-N 2.73Å; S326-C329 PolarHBondContact OG-N 3.46Å; S326-E589 PolarHBondContact OG-OE1 3.39Å |
| 327 | P | 94.2 | Very high | 93.1 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.1 | 167.5 | -26.3 | 37.4 | 0 | 0 | 0 | 114.3 | Q503 Y529 L602 | P327-Q503 VanDerWaalsContact CB-OE1 3.28Å; P327-Y529 HydrophobicContact CB-CG 4.32Å; P327-Y529 HydrophobicContact CG-CD2 3.99Å; P327-Y529 HydrophobicContact CG-CG 4.01Å; P327-L602 HydrophobicContact CG-CD1 4.42Å |
| 328 | F | 94.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 7.5 | 176.5 | -68.2 | -2.7 | 0 | 0 | 0 | 113.5 | S326 G330 K331 Q503 E527 Y529 | S326-F328 PolarHBondContact O-N 2.98Å; S326-F328 WeakPolarHBondContact OG-CA 3.27Å; S326-F328 PolarHBondContact OG-N 3.5Å; F328-G330 PolarHBondContact O-N 2.94Å; F328-K331 HydrophobicContact CB-CD 4.07Å; F328-K331 HydrophobicContact CD1-CD 3.94Å; F328-K331 VanDerWaalsContact CE1-NZ 3.34Å; F328-K331 HydrophobicContact CG-CD 4.13Å; F328-K331 WeakPolarHBondContact O-CB 3.32Å; F328-K331 WeakPolarHBondContact O-CG 2.87Å; F328-K331 PolarHBondContact O-N 3.48Å; F328-Q503 HydrophobicContact CE1-CG 4.23Å; F328-E527 HydrophobicContact CE2-CB 4.14Å; F328-E527 HydrophobicContact CZ-CB 3.86Å; F328-Y529 HydrophobicContact CB-CD1 4.45Å; F328-Y529 HydrophobicContact CB-CE1 4.48Å; F328-Y529 HydrophobicContact CD1-CD1 4.01Å; F328-Y529 AromaticContact CD2-CD1 3.52Å; F328-Y529 HydrophobicContact CD2-CD1 3.52Å; F328-Y529 AromaticContact CD2-CE1 3.82Å; F328-Y529 HydrophobicContact CD2-CE1 3.82Å; F328-Y529 HydrophobicContact CE1-CD1 4.12Å; F328-Y529 AromaticContact CE2-CD1 3.64Å; F328-Y529 HydrophobicContact CE2-CD1 3.64Å; F328-Y529 HydrophobicContact CE2-CE1 4.26Å; F328-Y529 AromaticContact CG-CD1 3.73Å; F328-Y529 HydrophobicContact CG-CD1 3.73Å; F328-Y529 HydrophobicContact CG-CE1 4.15Å; F328-Y529 AromaticContact CZ-CD1 3.94Å; F328-Y529 HydrophobicContact CZ-CD1 3.94Å |
| 329 | C | 92.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 123.6 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | N324 S326 K331 E389 | N324-C329 WeakPolarHBondContact O-CB 3.47Å; N324-C329 PolarHBondContact O-SG 2.81Å; S326-C329 VanDerWaalsContact O-CB 3.25Å; S326-C329 WeakPolarHBondContact O-CB 3.25Å; S326-C329 PolarHBondContact O-N 2.73Å; S326-C329 PolarHBondContact OG-N 3.46Å; C329-K331 VanDerWaalsContact C-N 3.34Å; C329-K331 PolarHBondContact O-N 3.46Å; C329-E389 WeakPolarHBondContact CA-OE1 3.44Å |
| 330 | G | 90.6 | Very high | 93.4 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 19.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | F328 E389 | F328-G330 PolarHBondContact O-N 2.94Å; G330-E389 PolarHBondContact N-OE1 2.87Å |
| 331 | K | 90.5 | Very high | 93.4 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -85.7 | -31.7 | 176.4 | -69.9 | -171.2 | -178.5 | -177.1 | 0 | 113.5 | F328 C329 | F328-K331 HydrophobicContact CB-CD 4.07Å; F328-K331 HydrophobicContact CD1-CD 3.94Å; F328-K331 VanDerWaalsContact CE1-NZ 3.34Å; F328-K331 HydrophobicContact CG-CD 4.13Å; F328-K331 WeakPolarHBondContact O-CB 3.32Å; F328-K331 WeakPolarHBondContact O-CG 2.87Å; F328-K331 PolarHBondContact O-N 3.48Å; C329-K331 VanDerWaalsContact C-N 3.34Å; C329-K331 PolarHBondContact O-N 3.46Å |
| 332 | E | 91.7 | Very high | 93.3 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -124.4 | -29.8 | -174.8 | -69.3 | 170.1 | 163.9 | 0 | 0 | 112 | E389 T591 T593 S594 R596 | E332-E389 PolarHBondContact N-OE2 3.1Å; E332-T591 VanDerWaalsContact OE2-CB 3.29Å; E332-T591 WeakPolarHBondContact OE2-CB 3.48Å; E332-T591 WeakPolarHBondContact OE2-CG2 3.37Å; E332-T591 PolarHBondContact OE2-OG1 3.1Å; E332-T593 VanDerWaalsContact CD-OG1 3.24Å; E332-T593 PolarHBondContact OE1-OG1 3.39Å; E332-S594 WeakPolarHBondContact OE2-CB 3.48Å; E332-R596 IonicContact OE1-NH2 2.99Å; E332-R596 PolarHBondContact OE1-NH2 2.96Å; E332-R596 IonicContact OE2-CZ 3.73Å; E332-R596 IonicContact OE2-NH1 3.65Å; E332-R596 IonicContact OE2-NH2 2.87Å; E332-R596 PolarHBondContact OE2-NH2 3.32Å |
| 333 | G | 90.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | trans | -85.6 | 148 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | G387 E389 | G333-G387 WeakPolarHBondContact CA-O 3.29Å; G333-E389 PolarHBondContact N-OE2 2.88Å | ||
| 334 | K | 91.4 | Very high | 93.1 | Very high | 174 Ų | 174 | 58 Ų | 58 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -90.7 | -32.3 | 169.3 | -63.8 | -179.9 | -176 | 171.7 | 0 | 111.9 | G387 | K334-G387 PolarHBondContact N-O 2.89Š|
| 335 | F | 94 | Very high | 93.1 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 108.4 | -176.5 | -50.4 | -63.2 | 0 | 0 | 0 | 109.3 | Q340 E386 G387 F388 E389 | F335-Q340 HydrophobicContact CB-CB 4.32Å; F335-E386 WeakPolarHBondContact CE2-O 3.22Å; F335-G387 PolarHBondContact N-O 3.3Å; F335-F388 HydrophobicContact CB-CD1 3.49Å; F335-F388 VanDerWaalsContact CB-CD1 3.49Å; F335-F388 HydrophobicContact CB-CD2 4.2Å; F335-F388 HydrophobicContact CB-CE1 3.47Å; F335-F388 VanDerWaalsContact CB-CE1 3.47Å; F335-F388 HydrophobicContact CB-CE2 4.19Å; F335-F388 HydrophobicContact CB-CG 3.85Å; F335-F388 HydrophobicContact CB-CZ 3.82Å; F335-F388 AromaticContact CD2-CD2 3.84Å; F335-F388 HydrophobicContact CD2-CD2 3.84Å; F335-F388 HydrophobicContact CD2-CE1 4.5Å; F335-F388 AromaticContact CD2-CE2 3.68Å; F335-F388 HydrophobicContact CD2-CE2 3.68Å; F335-F388 HydrophobicContact CD2-CG 4.3Å; F335-F388 HydrophobicContact CD2-CZ 4.02Å; F335-F388 HydrophobicContact CE2-CE2 4.39Å; F335-F388 HydrophobicContact CG-CD1 4.44Å; F335-F388 HydrophobicContact CG-CD2 4.41Å; F335-F388 HydrophobicContact CG-CE1 4.18Å; F335-F388 HydrophobicContact CG-CE2 4.15Å; F335-F388 HydrophobicContact CG-CZ 4.01Å; F335-F388 WeakPolarHBondContact O-CA 3.4Å; F335-E389 PolarHBondContact O-N 3.38Å |
| 336 | V | 92.9 | Very high | 93 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | trans | -130.1 | -14.5 | -170.7 | -67.3 | 0 | 0 | 0 | 0 | 113.4 | V323 Q340 E389 | V323-V336 VanDerWaalsContact CG1-O 3.3Å; V323-V336 WeakPolarHBondContact CG1-O 3.23Å; V336-Q340 VanDerWaalsContact N-OE1 3.1Å; V336-E389 HydrophobicContact CG1-CB 4.02Å; V336-E389 HydrophobicContact CG1-CG 4.49Å | ||
| 337 | T | 93.2 | Very high | 92.7 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -84.9 | 148.6 | -172.5 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | R339 Q340 I341 | T337-R339 PolarHBondContact O-N 3.29Å; T337-Q340 PolarHBondContact O-N 3.48Å; T337-Q340 VanDerWaalsContact OG1-CG 3.23Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.48Å; T337-Q340 PolarHBondContact OG1-N 3.11Å; T337-Q340 PolarHBondContact OG1-OE1 2.99Å; T337-I341 PolarHBondContact O-N 3.47Å; T337-I341 VanDerWaalsContact O-N 3.09Å |
| 338 | S | 93.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -49.7 | -45.2 | 176.9 | 161.8 | 0 | 0 | 0 | 0 | 112.1 | V323 Q340 I341 L342 A363 D364 F366 | V323-S338 VanDerWaalsContact CG2-CA 3.49Å; S338-Q340 PolarHBondContact O-N 2.82Å; S338-I341 PolarHBondContact O-N 2.93Å; S338-L342 WeakPolarHBondContact O-CB 3.46Å; S338-L342 PolarHBondContact O-N 3.05Å; S338-A363 PolarHBondContact OG-O 3.13Å; S338-D364 WeakPolarHBondContact CB-OD1 3.23Å; S338-F366 WeakPolarHBondContact OG-CZ 3.3Å |
| 339 | R | 93.6 | Very high | 91.9 | Very high | 187 Ų | 187 | 62.4 Ų | 62.4 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 176.3 | -179.8 | -179.8 | 144.5 | -172.3 | -6.3 | 113.6 | T337 I341 L342 D343 | T337-R339 PolarHBondContact O-N 3.29Å; R339-I341 VanDerWaalsContact C-N 3.32Å; R339-I341 PolarHBondContact O-N 3.22Å; R339-L342 PolarHBondContact O-N 2.8Å; R339-D343 IonicContact NE-OD2 2.76Å; R339-D343 WeakPolarHBondContact O-CB 3.4Å; R339-D343 PolarHBondContact O-N 2.74Å |
| 340 | Q | 94.8 | Very high | 91.2 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 179.6 | -72.8 | 165.6 | -35 | 0 | 0 | 111.4 | F335 V336 T337 S338 R344 F388 | F335-Q340 HydrophobicContact CB-CB 4.32Å; V336-Q340 VanDerWaalsContact N-OE1 3.1Å; T337-Q340 PolarHBondContact O-N 3.48Å; T337-Q340 VanDerWaalsContact OG1-CG 3.23Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.48Å; T337-Q340 PolarHBondContact OG1-N 3.11Å; T337-Q340 PolarHBondContact OG1-OE1 2.99Å; S338-Q340 PolarHBondContact O-N 2.82Å; Q340-R344 WeakPolarHBondContact O-CB 3.34Å; Q340-R344 PolarHBondContact O-N 2.82Å; Q340-R344 VanDerWaalsContact O-N 3.1Å; Q340-F388 HydrophobicContact CB-CE1 4.15Å; Q340-F388 WeakPolarHBondContact O-CE1 3.24Å |
| 341 | I | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 175.9 | -65.8 | 174.2 | 0 | 0 | 0 | 109.4 | V323 T337 S338 R339 D343 R344 L345 F366 M383 F388 L390 | V323-I341 HydrophobicContact CG2-CD1 3.97Å; T337-I341 PolarHBondContact O-N 3.47Å; T337-I341 VanDerWaalsContact O-N 3.09Å; S338-I341 PolarHBondContact O-N 2.93Å; R339-I341 VanDerWaalsContact C-N 3.32Å; R339-I341 PolarHBondContact O-N 3.22Å; I341-D343 PolarHBondContact O-N 3.42Å; I341-R344 PolarHBondContact O-N 3.19Å; I341-R344 VanDerWaalsContact O-N 3.16Å; I341-L345 HydrophobicContact CG2-CD1 3.88Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 VanDerWaalsContact O-CG 3.32Å; I341-L345 WeakPolarHBondContact O-CG 3.48Å; I341-L345 PolarHBondContact O-N 2.87Å; I341-F366 HydrophobicContact CB-CE2 4.12Å; I341-F366 HydrophobicContact CG2-CD2 3.81Å; I341-F366 HydrophobicContact CG2-CE2 3.8Å; I341-M383 HydrophobicContact CG2-CE 4.34Å; I341-F388 HydrophobicContact CG1-CD1 4.18Å; I341-F388 HydrophobicContact CG1-CE1 4.44Å; I341-L390 HydrophobicContact CD1-CB 4.22Å |
| 342 | L | 94.4 | Very high | 89.8 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 178.3 | -176 | 58 | 0 | 0 | 0 | 112.3 | S338 R339 R344 L345 N346 E359 F366 | S338-L342 WeakPolarHBondContact O-CB 3.46Å; S338-L342 PolarHBondContact O-N 3.05Å; R339-L342 PolarHBondContact O-N 2.8Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 3.3Å; L342-L345 PolarHBondContact O-N 2.79Å; L342-N346 WeakPolarHBondContact O-CB 3.41Å; L342-N346 PolarHBondContact O-N 3.36Å; L342-N346 PolarHBondContact O-ND2 3.11Å; L342-E359 HydrophobicContact CD1-CG 4.39Å; L342-F366 HydrophobicContact CB-CE1 4Å; L342-F366 HydrophobicContact CB-CE2 4.38Å; L342-F366 HydrophobicContact CB-CZ 3.74Å; L342-F366 HydrophobicContact CD1-CD1 4.03Å; L342-F366 HydrophobicContact CD1-CE1 3.77Å; L342-F366 HydrophobicContact CD1-CZ 4.37Å; L342-F366 HydrophobicContact CD2-CE1 4.16Å; L342-F366 HydrophobicContact CG-CE1 4.18Å; L342-F366 HydrophobicContact CG-CZ 4.42Å |
| 343 | D | 93.7 | Very high | 88.9 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 176.6 | -73.3 | -17.4 | 0 | 0 | 0 | 111 | R339 I341 K347 | R339-D343 IonicContact NE-OD2 2.76Å; R339-D343 WeakPolarHBondContact O-CB 3.4Å; R339-D343 PolarHBondContact O-N 2.74Å; I341-D343 PolarHBondContact O-N 3.42Å; D343-K347 WeakPolarHBondContact O-CB 3.31Å; D343-K347 PolarHBondContact O-N 2.86Å |
| 344 | R | 94.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -40.3 | 177.9 | 177.7 | 58.4 | -174.1 | 85.5 | -3.6 | 113 | Q340 I341 L342 K347 E348 M383 E386 F388 | Q340-R344 WeakPolarHBondContact O-CB 3.34Å; Q340-R344 PolarHBondContact O-N 2.82Å; Q340-R344 VanDerWaalsContact O-N 3.1Å; I341-R344 PolarHBondContact O-N 3.19Å; I341-R344 VanDerWaalsContact O-N 3.16Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 3.3Å; R344-K347 PolarHBondContact O-N 2.95Å; R344-E348 IonicContact CZ-OE2 2.89Å; R344-E348 IonicContact NH1-OE2 2.71Å; R344-E348 PolarHBondContact NH1-OE2 2.79Å; R344-E348 IonicContact NH2-OE2 3.9Å; R344-E348 PolarHBondContact NH2-OE2 3.13Å; R344-E348 PolarHBondContact O-N 3.32Å; R344-E348 VanDerWaalsContact O-N 3.16Å; R344-M383 HydrophobicContact CB-CE 4.44Å; R344-M383 HydrophobicContact CG-CE 4.02Å; R344-M383 HydrophobicContact CG-CG 4.06Å; R344-M383 HydrophobicContact CG-SD 4.35Å; R344-E386 VanDerWaalsContact CD-OE2 3.29Å; R344-E386 WeakPolarHBondContact CD-OE2 3.46Å; R344-E386 IonicContact CZ-OE1 3.28Å; R344-E386 IonicContact CZ-OE2 3.17Å; R344-E386 VanDerWaalsContact NE-CD 3.31Å; R344-E386 IonicContact NE-OE1 3.8Å; R344-E386 PolarHBondContact NE-OE1 3.27Å; R344-E386 VanDerWaalsContact NE-OE1 3.08Å; R344-E386 IonicContact NE-OE2 3.59Å; R344-E386 PolarHBondContact NE-OE2 2.88Å; R344-E386 IonicContact NH2-OE1 3.02Å; R344-E386 PolarHBondContact NH2-OE1 2.84Å; R344-F388 HydrophobicContact CB-CE1 3.94Å; R344-F388 HydrophobicContact CB-CE2 4.13Å; R344-F388 HydrophobicContact CB-CZ 3.52Å; R344-F388 HydrophobicContact CG-CE1 4.4Å; R344-F388 HydrophobicContact CG-CE2 3.89Å; R344-F388 HydrophobicContact CG-CZ 3.81Å |
| 345 | L | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.4 | -70.8 | 178.2 | 0 | 0 | 0 | 111 | F321 I341 L342 K347 E348 L349 V357 F366 V368 L379 M383 | F321-L345 HydrophobicContact CD2-CD2 4.09Å; F321-L345 HydrophobicContact CE2-CD2 4.25Å; I341-L345 HydrophobicContact CG2-CD1 3.88Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 VanDerWaalsContact O-CG 3.32Å; I341-L345 WeakPolarHBondContact O-CG 3.48Å; I341-L345 PolarHBondContact O-N 2.87Å; L342-L345 PolarHBondContact O-N 2.79Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3.43Å; L345-E348 WeakPolarHBondContact O-CB 3.38Å; L345-E348 PolarHBondContact O-N 2.81Å; L345-E348 VanDerWaalsContact O-N 3.12Å; L345-L349 PolarHBondContact O-N 3.04Å; L345-L349 VanDerWaalsContact O-N 3.16Å; L345-V357 HydrophobicContact CB-CG1 4.06Å; L345-V357 HydrophobicContact CB-CG2 4.02Å; L345-V357 HydrophobicContact CD1-CG1 3.94Å; L345-F366 HydrophobicContact CD1-CB 3.92Å; L345-F366 HydrophobicContact CD1-CD2 4.01Å; L345-F366 HydrophobicContact CD1-CG 4.04Å; L345-V368 HydrophobicContact CD1-CG2 3.95Å; L345-V368 HydrophobicContact CD2-CG2 4.13Å; L345-L379 HydrophobicContact CD2-CD2 4.12Å; L345-M383 HydrophobicContact CD2-SD 4.22Å |
| 346 | N | 90.7 | Very high | 88 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.1 | -35.6 | 175.3 | -73.6 | -26.2 | 0 | 0 | 0 | 112.4 | L342 E348 L349 | L342-N346 WeakPolarHBondContact O-CB 3.41Å; L342-N346 PolarHBondContact O-N 3.36Å; L342-N346 PolarHBondContact O-ND2 3.11Å; N346-E348 VanDerWaalsContact C-N 3.3Å; N346-E348 PolarHBondContact O-N 3Å; N346-L349 PolarHBondContact O-N 3.28Å |
| 347 | K | 87.7 | Confident | 88.1 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 45% | 0.452 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 173 | -172.1 | -178.4 | 177.4 | -171.2 | 0 | 112.1 | D343 R344 L345 V350 | D343-K347 WeakPolarHBondContact O-CB 3.31Å; D343-K347 PolarHBondContact O-N 2.86Å; R344-K347 PolarHBondContact O-N 2.95Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3.43Å; K347-V350 WeakPolarHBondContact O-CB 3.39Å; K347-V350 PolarHBondContact O-N 2.82Å |
| 348 | E | 87.3 | Confident | 88.1 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 177.3 | -166.3 | 68.8 | -158.2 | 0 | 0 | 111.7 | R344 L345 N346 V350 H351 N352 L355 L379 | R344-E348 IonicContact CZ-OE2 2.89Å; R344-E348 IonicContact NH1-OE2 2.71Å; R344-E348 PolarHBondContact NH1-OE2 2.79Å; R344-E348 IonicContact NH2-OE2 3.9Å; R344-E348 PolarHBondContact NH2-OE2 3.13Å; R344-E348 PolarHBondContact O-N 3.32Å; R344-E348 VanDerWaalsContact O-N 3.16Å; L345-E348 WeakPolarHBondContact O-CB 3.38Å; L345-E348 PolarHBondContact O-N 2.81Å; L345-E348 VanDerWaalsContact O-N 3.12Å; N346-E348 VanDerWaalsContact C-N 3.3Å; N346-E348 PolarHBondContact O-N 3Å; E348-V350 PolarHBondContact O-N 2.75Å; E348-V350 VanDerWaalsContact O-N 3.09Å; E348-H351 PolarHBondContact O-N 2.82Å; E348-H351 IonicContact OE1-CE1 3.32Å; E348-H351 PolarHBondContact OE1-CE1 2.83Å; E348-H351 IonicContact OE1-ND1 2.71Å; E348-H351 IonicContact OE2-CE1 3.8Å; E348-H351 PolarHBondContact OE2-CE1 3.39Å; E348-H351 IonicContact OE2-NE2 3.36Å; E348-N352 HydrophobicContact CG-CB 3.99Å; E348-N352 VanDerWaalsContact O-CB 3.22Å; E348-N352 WeakPolarHBondContact O-CB 3.16Å; E348-N352 PolarHBondContact O-N 2.83Å; E348-N352 PolarHBondContact OE1-ND2 3.15Å; E348-L355 HydrophobicContact CB-CD2 3.95Å; E348-L355 HydrophobicContact CG-CD2 3.55Å; E348-L379 HydrophobicContact CB-CD1 4.35Å; E348-L379 HydrophobicContact CG-CD1 3.74Å; E348-L379 HydrophobicContact CG-CD2 4.49Å |
| 349 | L | 85.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 29% | 0.293 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.9 | -26.1 | 178.9 | -71.5 | 179.5 | 0 | 0 | 0 | 113.5 | L345 N346 H351 L355 V357 | L345-L349 PolarHBondContact O-N 3.04Å; L345-L349 VanDerWaalsContact O-N 3.16Å; N346-L349 PolarHBondContact O-N 3.28Å; L349-H351 VanDerWaalsContact C-N 3.33Å; L349-H351 PolarHBondContact O-N 2.89Å; L349-L355 HydrophobicContact CD2-CB 4.13Å; L349-L355 HydrophobicContact CD2-CD2 4.26Å; L349-L355 HydrophobicContact CD2-CG 4.29Å; L349-L355 VanDerWaalsContact CD2-O 3.29Å; L349-L355 WeakPolarHBondContact CD2-O 3.37Å; L349-V357 HydrophobicContact CD1-CB 4.03Å; L349-V357 HydrophobicContact CD1-CG2 4.12Å; L349-V357 HydrophobicContact CD2-CB 4.46Å; L349-V357 HydrophobicContact CD2-CG2 3.91Å; L349-V357 HydrophobicContact CG-CB 4.45Å; L349-V357 HydrophobicContact CG-CG2 3.98Å |
| 350 | V | 76.7 | Confident | 88.1 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -37.8 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 112 | L222 V230 K347 E348 | L222-V350 WeakPolarHBondContact CD1-O 3.33Å; V230-V350 HydrophobicContact CG2-CG1 4.06Å; K347-V350 WeakPolarHBondContact O-CB 3.39Å; K347-V350 PolarHBondContact O-N 2.82Å; E348-V350 PolarHBondContact O-N 2.75Å; E348-V350 VanDerWaalsContact O-N 3.09Å |
| 351 | H | 74.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -22.5 | -178.2 | 57.3 | 85 | 0 | 0 | 0 | 112.9 | L222 E348 L349 V353 | L222-H351 HydrophobicContact CB-CB 4.44Å; E348-H351 PolarHBondContact O-N 2.82Å; E348-H351 IonicContact OE1-CE1 3.32Å; E348-H351 PolarHBondContact OE1-CE1 2.83Å; E348-H351 IonicContact OE1-ND1 2.71Å; E348-H351 IonicContact OE2-CE1 3.8Å; E348-H351 PolarHBondContact OE2-CE1 3.39Å; E348-H351 IonicContact OE2-NE2 3.36Å; L349-H351 VanDerWaalsContact C-N 3.33Å; L349-H351 PolarHBondContact O-N 2.89Å; H351-V353 PolarHBondContact O-N 3.38Å |
| 352 | N | 77.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | trans | -99.5 | 84.6 | -176.2 | -163.9 | -24.3 | 0 | 0 | 0 | 112 | E348 A354 L355 H375 | E348-N352 HydrophobicContact CG-CB 3.99Å; E348-N352 VanDerWaalsContact O-CB 3.22Å; E348-N352 WeakPolarHBondContact O-CB 3.16Å; E348-N352 PolarHBondContact O-N 2.83Å; E348-N352 PolarHBondContact OE1-ND2 3.15Å; N352-A354 PolarHBondContact O-N 3.38Å; N352-L355 HydrophobicContact CB-CB 4.11Å; N352-L355 WeakPolarHBondContact O-CB 3.48Å; N352-L355 PolarHBondContact O-N 2.79Å; N352-H375 PolarHBondContact ND2-NE2 3.43Å; N352-H375 PolarHBondContact OD1-CE1 3.23Å; N352-H375 VanDerWaalsContact OD1-CE1 3.29Å; N352-H375 PolarHBondContact OD1-NE2 3.49Å | ||
| 353 | V | 72.6 | Confident | 87.6 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.5 | -170.6 | -170.3 | 0 | 0 | 0 | 0 | 113.3 | I294 V312 H351 R356 | I294-V353 HydrophobicContact CB-CG1 4.37Å; I294-V353 HydrophobicContact CB-CG2 3.98Å; I294-V353 HydrophobicContact CD1-CB 3.85Å; I294-V353 HydrophobicContact CD1-CG2 3.13Å; I294-V353 HydrophobicContact CG1-CB 4.44Å; I294-V353 HydrophobicContact CG1-CG2 3.49Å; I294-V353 VanDerWaalsContact CG1-CG2 3.49Å; V312-V353 HydrophobicContact CG1-CG1 3.69Å; V312-V353 HydrophobicContact CG2-CG1 3.95Å; H351-V353 PolarHBondContact O-N 3.38Å; V353-R356 PolarHBondContact O-NH1 3.49Å; V353-R356 PolarHBondContact O-NH2 2.53Å |
| 354 | A | 78.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N352 R371 | N352-A354 PolarHBondContact O-N 3.38Å; A354-R371 HydrophobicContact CB-CG 3.77Å |
| 355 | L | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -85.8 | 142.7 | 177.6 | -163.1 | 76.7 | 0 | 0 | 0 | 110.2 | E348 L349 N352 V357 V368 S369 L376 L379 | E348-L355 HydrophobicContact CB-CD2 3.95Å; E348-L355 HydrophobicContact CG-CD2 3.55Å; L349-L355 HydrophobicContact CD2-CB 4.13Å; L349-L355 HydrophobicContact CD2-CD2 4.26Å; L349-L355 HydrophobicContact CD2-CG 4.29Å; L349-L355 VanDerWaalsContact CD2-O 3.29Å; L349-L355 WeakPolarHBondContact CD2-O 3.37Å; N352-L355 HydrophobicContact CB-CB 4.11Å; N352-L355 WeakPolarHBondContact O-CB 3.48Å; N352-L355 PolarHBondContact O-N 2.79Å; L355-V357 HydrophobicContact CD2-CG2 4.2Å; L355-V357 HydrophobicContact CG-CG2 4.46Å; L355-V368 HydrophobicContact CD1-CG1 3.7Å; L355-V368 HydrophobicContact CG-CG1 4.26Å; L355-S369 CarbonylContact C-O 3.6Å; L355-S369 WeakPolarHBondContact CA-O 3.44Å; L355-L376 HydrophobicContact CD1-CD2 3.8Å; L355-L379 HydrophobicContact CD1-CD2 4.04Å; L355-L379 HydrophobicContact CD2-CD2 3.84Å | ||
| 356 | R | 90.7 | Very high | 87.7 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.6 | 167.2 | -57 | -72.4 | 176.6 | -100.9 | -1.9 | 108.2 | P315 V353 V368 S369 | P315-R356 HydrophobicContact CG-CG 3.8Å; V353-R356 PolarHBondContact O-NH1 3.49Å; V353-R356 PolarHBondContact O-NH2 2.53Å; R356-V368 WeakPolarHBondContact O-CA 3.46Å; R356-S369 PolarHBondContact N-O 3.33Å; R356-S369 PolarHBondContact O-N 3.35Å |
| 357 | V | 94.1 | Very high | 87.9 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.1 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | L345 L349 L355 F366 R367 V368 | L345-V357 HydrophobicContact CB-CG1 4.06Å; L345-V357 HydrophobicContact CB-CG2 4.02Å; L345-V357 HydrophobicContact CD1-CG1 3.94Å; L349-V357 HydrophobicContact CD1-CB 4.03Å; L349-V357 HydrophobicContact CD1-CG2 4.12Å; L349-V357 HydrophobicContact CD2-CB 4.46Å; L349-V357 HydrophobicContact CD2-CG2 3.91Å; L349-V357 HydrophobicContact CG-CB 4.45Å; L349-V357 HydrophobicContact CG-CG2 3.98Å; L355-V357 HydrophobicContact CD2-CG2 4.2Å; L355-V357 HydrophobicContact CG-CG2 4.46Å; V357-F366 HydrophobicContact CG1-CB 4.39Å; V357-R367 WeakPolarHBondContact CA-O 3.34Å; V357-V368 HydrophobicContact CG2-CG1 4.46Å |
| 358 | E | 94.1 | Very high | 88.3 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132 | 177.5 | -65.1 | 164.3 | -151.8 | 0 | 0 | 108.9 | F366 R367 | E358-F366 CarbonylContact O-C 3.58Å; E358-F366 WeakPolarHBondContact O-CA 3.49Å; E358-R367 HydrophobicContact CB-CB 4.23Å; E358-R367 PolarHBondContact N-O 3.22Å; E358-R367 PolarHBondContact O-N 3.37Å; E358-R367 WeakPolarHBondContact OE2-CD 3.41Å; E358-R367 IonicContact OE2-CZ 3.08Å; E358-R367 IonicContact OE2-NH1 3.64Å; E358-R367 PolarHBondContact OE2-NH1 3.21Å |
| 359 | E | 94.2 | Very high | 88.6 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 69% | 0.692 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140.7 | 165.9 | -64.8 | -179.1 | -117.3 | 0 | 0 | 109.4 | L342 F366 | L342-E359 HydrophobicContact CD1-CG 4.39Å; E359-F366 HydrophobicContact CG-CD1 4.23Å; E359-F366 HydrophobicContact CG-CE1 4.24Å |
| 360 | T | 93.3 | Very high | 88.7 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | trans | -108.4 | 176.9 | -177.6 | 79.8 | 0 | 0 | 0 | 0 | 111.5 | F320 D362 A365 R367 | F320-T360 HydrophobicContact CD1-CG2 4.02Å; F320-T360 HydrophobicContact CE1-CG2 3.79Å; T360-D362 PolarHBondContact O-N 2.95Å; T360-D362 PolarHBondContact OG1-N 3.27Å; T360-D362 PolarHBondContact OG1-O 3.38Å; T360-A365 WeakPolarHBondContact CB-O 3.39Å; T360-A365 VanDerWaalsContact CG2-O 3.3Å; T360-A365 WeakPolarHBondContact CG2-O 3.18Å; T360-A365 PolarHBondContact N-O 2.99Å; T360-A365 PolarHBondContact OG1-O 2.85Å; T360-R367 HydrophobicContact CG2-CB 4.01Å | ||
| 361 | E | 91.3 | Very high | 89 | Confident | 208 Ų | 208 | 51.3 Ų | 51.3 | 97% | 0.972 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -61.5 | -27 | 172.8 | -62.1 | -176.2 | 175.6 | 0 | 0 | 112.6 | ||
| 362 | D | 90.4 | Very high | 89.2 | Confident | 88 Ų | 88 | 49 Ų | 49 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88.8 | 113.3 | 170.6 | -176.7 | -1.5 | 0 | 0 | 0 | 109 | T360 D364 A365 | T360-D362 PolarHBondContact O-N 2.95Å; T360-D362 PolarHBondContact OG1-N 3.27Å; T360-D362 PolarHBondContact OG1-O 3.38Å; D362-D364 PolarHBondContact O-N 2.97Å; D362-D364 VanDerWaalsContact O-N 3.08Å; D362-D364 PolarHBondContact OD1-N 3.28Å; D362-A365 HydrophobicContact CB-CB 3.99Å; D362-A365 PolarHBondContact O-N 2.69Å |
| 363 | A | 91.4 | Very high | 89.4 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 61% | 0.612 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S338 | S338-A363 PolarHBondContact OG-O 3.13Š|
| 364 | D | 92.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 5.6 | 175 | -73.9 | -31.1 | 0 | 0 | 0 | 112.7 | C322 V323 S338 D362 | C322-D364 CarbonylContact C-O 3.55Å; C322-D364 WeakPolarHBondContact CA-O 3.29Å; V323-D364 HydrophobicContact CB-CB 4.07Å; V323-D364 HydrophobicContact CG2-CB 4.12Å; V323-D364 PolarHBondContact N-O 3.42Å; S338-D364 WeakPolarHBondContact CB-OD1 3.23Å; D362-D364 PolarHBondContact O-N 2.97Å; D362-D364 VanDerWaalsContact O-N 3.08Å; D362-D364 PolarHBondContact OD1-N 3.28Å |
| 365 | A | 94.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 5% | 0.05 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F321 C322 T360 D362 | F321-A365 WeakPolarHBondContact O-CA 3.36Å; C322-A365 VanDerWaalsContact SG-CB 3.58Å; T360-A365 WeakPolarHBondContact CB-O 3.39Å; T360-A365 VanDerWaalsContact CG2-O 3.3Å; T360-A365 WeakPolarHBondContact CG2-O 3.18Å; T360-A365 PolarHBondContact N-O 2.99Å; T360-A365 PolarHBondContact OG1-O 2.85Å; D362-A365 HydrophobicContact CB-CB 3.99Å; D362-A365 PolarHBondContact O-N 2.69Å |
| 366 | F | 96.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.6 | 176.4 | -52.8 | -73.7 | 0 | 0 | 0 | 109 | F320 F321 S338 I341 L342 L345 V357 E358 E359 V368 | F320-F366 CarbonylContact C-O 3.59Å; F320-F366 VanDerWaalsContact CA-O 3.3Å; F320-F366 WeakPolarHBondContact CA-O 3.44Å; F321-F366 PolarHBondContact N-O 2.88Å; F321-F366 PolarHBondContact O-N 2.88Å; S338-F366 WeakPolarHBondContact OG-CZ 3.3Å; I341-F366 HydrophobicContact CB-CE2 4.12Å; I341-F366 HydrophobicContact CG2-CD2 3.81Å; I341-F366 HydrophobicContact CG2-CE2 3.8Å; L342-F366 HydrophobicContact CB-CE1 4Å; L342-F366 HydrophobicContact CB-CE2 4.38Å; L342-F366 HydrophobicContact CB-CZ 3.74Å; L342-F366 HydrophobicContact CD1-CD1 4.03Å; L342-F366 HydrophobicContact CD1-CE1 3.77Å; L342-F366 HydrophobicContact CD1-CZ 4.37Å; L342-F366 HydrophobicContact CD2-CE1 4.16Å; L342-F366 HydrophobicContact CG-CE1 4.18Å; L342-F366 HydrophobicContact CG-CZ 4.42Å; L345-F366 HydrophobicContact CD1-CB 3.92Å; L345-F366 HydrophobicContact CD1-CD2 4.01Å; L345-F366 HydrophobicContact CD1-CG 4.04Å; V357-F366 HydrophobicContact CG1-CB 4.39Å; E358-F366 CarbonylContact O-C 3.58Å; E358-F366 WeakPolarHBondContact O-CA 3.49Å; E359-F366 HydrophobicContact CG-CD1 4.23Å; E359-F366 HydrophobicContact CG-CE1 4.24Å; F366-V368 HydrophobicContact CB-CG2 4.46Å; F366-V368 PolarHBondContact O-N 3.41Å |
| 367 | R | 95.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 114.5 | 171.2 | -178.9 | -173.1 | -63.3 | 155.1 | -5.2 | 108 | F320 V357 E358 T360 | F320-R367 HydrophobicContact CD1-CB 4.12Å; F320-R367 HydrophobicContact CE1-CB 3.93Å; F320-R367 HydrophobicContact CE1-CG 4.37Å; V357-R367 WeakPolarHBondContact CA-O 3.34Å; E358-R367 HydrophobicContact CB-CB 4.23Å; E358-R367 PolarHBondContact N-O 3.22Å; E358-R367 PolarHBondContact O-N 3.37Å; E358-R367 WeakPolarHBondContact OE2-CD 3.41Å; E358-R367 IonicContact OE2-CZ 3.08Å; E358-R367 IonicContact OE2-NH1 3.64Å; E358-R367 PolarHBondContact OE2-NH1 3.21Å; T360-R367 HydrophobicContact CG2-CB 4.01Å |
| 368 | V | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.1 | 178.9 | -174 | 0 | 0 | 0 | 0 | 108.4 | S318 M319 F321 L345 L355 R356 V357 F366 L376 L379 | S318-V368 CarbonylContact C-O 3.47Å; S318-V368 WeakPolarHBondContact CA-O 3.24Å; M319-V368 PolarHBondContact N-O 2.79Å; M319-V368 PolarHBondContact O-N 3.26Å; F321-V368 HydrophobicContact CB-CG2 3.92Å; F321-V368 HydrophobicContact CD1-CB 3.67Å; F321-V368 HydrophobicContact CD1-CG1 4.46Å; F321-V368 HydrophobicContact CD1-CG2 3.45Å; F321-V368 VanDerWaalsContact CD1-CG2 3.45Å; F321-V368 HydrophobicContact CD2-CG2 4.12Å; F321-V368 HydrophobicContact CE1-CB 3.68Å; F321-V368 HydrophobicContact CE1-CG1 4.05Å; F321-V368 HydrophobicContact CE1-CG2 3.89Å; F321-V368 HydrophobicContact CG-CB 4.3Å; F321-V368 HydrophobicContact CG-CG2 3.58Å; F321-V368 HydrophobicContact CZ-CB 4.32Å; F321-V368 HydrophobicContact CZ-CG1 4.25Å; F321-V368 HydrophobicContact CZ-CG2 4.39Å; L345-V368 HydrophobicContact CD1-CG2 3.95Å; L345-V368 HydrophobicContact CD2-CG2 4.13Å; L355-V368 HydrophobicContact CD1-CG1 3.7Å; L355-V368 HydrophobicContact CG-CG1 4.26Å; R356-V368 WeakPolarHBondContact O-CA 3.46Å; V357-V368 HydrophobicContact CG2-CG1 4.46Å; F366-V368 HydrophobicContact CB-CG2 4.46Å; F366-V368 PolarHBondContact O-N 3.41Å; V368-L376 HydrophobicContact CG1-CD2 3.82Å; V368-L379 HydrophobicContact CG1-CD2 4.18Å |
| 369 | S | 93.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.7 | -176.5 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | V317 S318 L355 R356 | V317-S369 CarbonylContact O-C 3.49Å; V317-S369 VanDerWaalsContact O-CA 3.26Å; V317-S369 WeakPolarHBondContact O-CA 3Å; S318-S369 WeakPolarHBondContact CB-OG 3.12Å; L355-S369 CarbonylContact C-O 3.6Å; L355-S369 WeakPolarHBondContact CA-O 3.44Å; R356-S369 PolarHBondContact N-O 3.33Å; R356-S369 PolarHBondContact O-N 3.35Å |
| 370 | G | 88.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P315 T316 V317 G372 | P315-G370 CarbonylContact C-O 3.53Å; P315-G370 VanDerWaalsContact CA-O 3.27Å; P315-G370 WeakPolarHBondContact CA-O 3.34Å; P315-G370 WeakPolarHBondContact CB-O 3.45Å; T316-G370 PolarHBondContact N-O 2.98Å; V317-G370 PolarHBondContact N-O 2.98Å; V317-G370 PolarHBondContact O-N 3.47Å; G370-G372 VanDerWaalsContact C-N 3.33Å; G370-G372 PolarHBondContact O-N 3Å |
| 371 | R | 82 | Confident | 89.8 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 11% | 0.109 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -72.1 | -24.6 | -175.1 | -81.3 | -90.2 | 153.1 | -91.3 | -54.3 | 115.5 | D90 D313 E314 T316 A354 H375 | D90-R371 HydrophobicContact CB-CB 4.32Å; D90-R371 WeakPolarHBondContact O-CB 3.36Å; D90-R371 WeakPolarHBondContact O-CG 3.48Å; D313-R371 VanDerWaalsContact CB-NH1 3.34Å; D313-R371 VanDerWaalsContact CB-NH2 3.28Å; D313-R371 PolarHBondContact O-NH2 2.89Å; D313-R371 IonicContact OD2-NE 2.68Å; D313-R371 PolarHBondContact OD2-NE 3.21Å; E314-R371 VanDerWaalsContact C-CZ 3.48Å; E314-R371 VanDerWaalsContact CA-NH2 3.26Å; E314-R371 PolarHBondContact O-NH1 3.01Å; E314-R371 PolarHBondContact O-NH2 3.33Å; T316-R371 VanDerWaalsContact OG1-C 3.27Å; T316-R371 PolarHBondContact OG1-O 3.2Å; A354-R371 HydrophobicContact CB-CG 3.77Å; R371-H375 HydrophobicContact CB-CB 4.15Å; R371-H375 PolarHBondContact N-ND1 3.38Å |
| 372 | G | 79.4 | Confident | 89.8 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 6% | 0.062 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 172.7 | 171.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | D90 G370 L374 L376 | D90-G372 VanDerWaalsContact OD2-C 3.3Å; D90-G372 VanDerWaalsContact OD2-CA 3.27Å; D90-G372 WeakPolarHBondContact OD2-CA 3.45Å; G370-G372 VanDerWaalsContact C-N 3.33Å; G370-G372 PolarHBondContact O-N 3Å; G372-L374 VanDerWaalsContact C-N 3.34Å; G372-L376 PolarHBondContact O-N 3.25Å |
| 373 | E | 80.9 | Confident | 90 | Very high | 32 Ų | 32 | 20.2 Ų | 20.2 | 15% | 0.15 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -177.5 | -174.6 | -180 | 160.3 | 0 | 0 | 112 | H375 L376 S377 P395 E580 | E373-H375 VanDerWaalsContact C-N 3.34Å; E373-H375 PolarHBondContact O-N 2.95Å; E373-L376 PolarHBondContact O-N 2.69Å; E373-S377 WeakPolarHBondContact O-CB 3.46Å; E373-S377 PolarHBondContact O-N 2.68Å; E373-P395 HydrophobicContact CG-CG 4.47Å; E373-E580 WeakPolarHBondContact OE1-CG 3.19Å |
| 374 | L | 80.7 | Confident | 90.1 | Very high | 37 Ų | 37 | 19 Ų | 19 | 19% | 0.194 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | -178 | -175.2 | 71.6 | 0 | 0 | 0 | 110.9 | I64 H88 D90 G372 L376 S377 V378 | I64-L374 HydrophobicContact CD1-CD2 3.69Å; I64-L374 HydrophobicContact CD1-CG 4.42Å; H88-L374 HydrophobicContact CB-CD2 4.36Å; D90-L374 VanDerWaalsContact OD2-CB 3.29Å; D90-L374 WeakPolarHBondContact OD2-CB 3.45Å; D90-L374 PolarHBondContact OD2-N 2.84Å; D90-L374 VanDerWaalsContact OD2-N 3.13Å; G372-L374 VanDerWaalsContact C-N 3.34Å; L374-L376 PolarHBondContact O-N 2.9Å; L374-S377 PolarHBondContact O-N 2.81Å; L374-S377 PolarHBondContact O-OG 2.83Å; L374-S377 VanDerWaalsContact O-OG 3.05Å; L374-V378 WeakPolarHBondContact O-CG2 3.44Å; L374-V378 PolarHBondContact O-N 3.26Å |
| 375 | H | 84.2 | Confident | 90 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 174.4 | -177.9 | -173.2 | 0 | 0 | 0 | 111.4 | D90 N352 R371 E373 S377 V378 L379 | D90-H375 HydrophobicContact CB-CB 4.19Å; D90-H375 PolarHBondContact OD2-N 2.73Å; D90-H375 VanDerWaalsContact OD2-N 3.11Å; N352-H375 PolarHBondContact ND2-NE2 3.43Å; N352-H375 PolarHBondContact OD1-CE1 3.23Å; N352-H375 VanDerWaalsContact OD1-CE1 3.29Å; N352-H375 PolarHBondContact OD1-NE2 3.49Å; R371-H375 HydrophobicContact CB-CB 4.15Å; R371-H375 PolarHBondContact N-ND1 3.38Å; E373-H375 VanDerWaalsContact C-N 3.34Å; E373-H375 PolarHBondContact O-N 2.95Å; H375-S377 PolarHBondContact O-N 3Å; H375-V378 PolarHBondContact O-N 2.91Å; H375-L379 PolarHBondContact O-N 3.25Å |
| 376 | L | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.7 | -34.1 | 179.9 | -64.3 | 176.2 | 0 | 0 | 0 | 112.2 | V317 M319 L355 V368 G372 E373 L374 L379 I380 | V317-L376 HydrophobicContact CB-CD1 4.49Å; V317-L376 HydrophobicContact CG1-CD1 4.08Å; M319-L376 HydrophobicContact CE-CB 3.8Å; M319-L376 HydrophobicContact CE-CD1 3.66Å; M319-L376 HydrophobicContact CE-CG 4.38Å; M319-L376 HydrophobicContact CG-CD1 4.1Å; M319-L376 HydrophobicContact SD-CB 4.22Å; M319-L376 HydrophobicContact SD-CD1 4.28Å; L355-L376 HydrophobicContact CD1-CD2 3.8Å; V368-L376 HydrophobicContact CG1-CD2 3.82Å; G372-L376 PolarHBondContact O-N 3.25Å; E373-L376 PolarHBondContact O-N 2.69Å; L374-L376 PolarHBondContact O-N 2.9Å; L376-L379 WeakPolarHBondContact O-CB 3.22Å; L376-L379 PolarHBondContact O-N 3.01Å; L376-I380 WeakPolarHBondContact O-CG1 3.33Å; L376-I380 PolarHBondContact O-N 2.88Å; L376-I380 VanDerWaalsContact O-N 3.07Å |
| 377 | S | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | 176.8 | 82.5 | 0 | 0 | 0 | 0 | 112.6 | R62 E373 L374 H375 L379 I380 E381 E576 | R62-S377 PolarHBondContact NH1-OG 2.87Å; R62-S377 PolarHBondContact NH2-O 3.47Å; R62-S377 PolarHBondContact NH2-OG 3.02Å; E373-S377 WeakPolarHBondContact O-CB 3.46Å; E373-S377 PolarHBondContact O-N 2.68Å; L374-S377 PolarHBondContact O-N 2.81Å; L374-S377 PolarHBondContact O-OG 2.83Å; L374-S377 VanDerWaalsContact O-OG 3.05Å; H375-S377 PolarHBondContact O-N 3Å; S377-L379 VanDerWaalsContact C-N 3.32Å; S377-L379 PolarHBondContact O-N 3.27Å; S377-I380 PolarHBondContact O-N 2.85Å; S377-E381 VanDerWaalsContact O-CB 3.22Å; S377-E381 WeakPolarHBondContact O-CB 2.83Å; S377-E381 PolarHBondContact O-N 2.92Å; S377-E576 PolarHBondContact OG-OE1 3.36Å |
| 378 | V | 88 | Confident | 89.9 | Confident | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.048 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 171.6 | 170 | 0 | 0 | 0 | 0 | 110.4 | L58 I66 F91 L374 H375 E381 N382 | L58-V378 HydrophobicContact CD1-CG1 4.27Å; I66-V378 HydrophobicContact CD1-CG1 4.03Å; I66-V378 HydrophobicContact CD1-CG2 3.98Å; I66-V378 HydrophobicContact CG2-CG1 4.37Å; F91-V378 HydrophobicContact CZ-CG2 4.19Å; L374-V378 WeakPolarHBondContact O-CG2 3.44Å; L374-V378 PolarHBondContact O-N 3.26Å; H375-V378 PolarHBondContact O-N 2.91Å; V378-E381 PolarHBondContact O-N 3.06Å; V378-N382 PolarHBondContact O-N 2.82Å; V378-N382 PolarHBondContact O-ND2 2.81Å |
| 379 | L | 92.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 179.2 | 175.1 | 57.9 | 0 | 0 | 0 | 111.5 | F321 L345 E348 L355 V368 H375 L376 S377 E381 N382 M383 | F321-L379 HydrophobicContact CE2-CD2 4.2Å; F321-L379 HydrophobicContact CE2-CG 4.34Å; F321-L379 HydrophobicContact CZ-CD2 4.17Å; F321-L379 HydrophobicContact CZ-CG 4.49Å; L345-L379 HydrophobicContact CD2-CD2 4.12Å; E348-L379 HydrophobicContact CB-CD1 4.35Å; E348-L379 HydrophobicContact CG-CD1 3.74Å; E348-L379 HydrophobicContact CG-CD2 4.49Å; L355-L379 HydrophobicContact CD1-CD2 4.04Å; L355-L379 HydrophobicContact CD2-CD2 3.84Å; V368-L379 HydrophobicContact CG1-CD2 4.18Å; H375-L379 PolarHBondContact O-N 3.25Å; L376-L379 WeakPolarHBondContact O-CB 3.22Å; L376-L379 PolarHBondContact O-N 3.01Å; S377-L379 VanDerWaalsContact C-N 3.32Å; S377-L379 PolarHBondContact O-N 3.27Å; L379-E381 VanDerWaalsContact C-N 3.3Å; L379-E381 PolarHBondContact O-N 2.87Å; L379-N382 PolarHBondContact O-N 2.77Å; L379-M383 HydrophobicContact CD1-CG 4.31Å; L379-M383 HydrophobicContact CD1-SD 4.27Å; L379-M383 HydrophobicContact CG-SD 4.31Å; L379-M383 WeakPolarHBondContact O-CG 3Å; L379-M383 PolarHBondContact O-N 3.45Å |
| 380 | I | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 179 | -64.9 | 160.5 | 0 | 0 | 0 | 110.7 | M319 F321 L376 S377 M383 R384 V392 L575 L579 V590 | M319-I380 HydrophobicContact SD-CD1 3.81Å; F321-I380 HydrophobicContact CE1-CD1 4.24Å; F321-I380 HydrophobicContact CE1-CG1 4.19Å; F321-I380 HydrophobicContact CE2-CG1 3.66Å; F321-I380 HydrophobicContact CZ-CD1 3.85Å; F321-I380 HydrophobicContact CZ-CG1 3.35Å; L376-I380 WeakPolarHBondContact O-CG1 3.33Å; L376-I380 PolarHBondContact O-N 2.88Å; L376-I380 VanDerWaalsContact O-N 3.07Å; S377-I380 PolarHBondContact O-N 2.85Å; I380-M383 PolarHBondContact O-N 2.78Å; I380-R384 WeakPolarHBondContact O-CB 3.4Å; I380-R384 PolarHBondContact O-N 3.29Å; I380-V392 HydrophobicContact CD1-CB 4.33Å; I380-V392 HydrophobicContact CD1-CG1 3.87Å; I380-V392 HydrophobicContact CD1-CG2 4.19Å; I380-V392 HydrophobicContact CG1-CG1 4.14Å; I380-L575 HydrophobicContact CB-CD2 3.86Å; I380-L575 HydrophobicContact CG2-CD1 3.95Å; I380-L575 HydrophobicContact CG2-CD2 3.6Å; I380-L575 HydrophobicContact CG2-CG 4.41Å; I380-L579 HydrophobicContact CD1-CD1 4.1Å; I380-V590 HydrophobicContact CG2-CB 4.27Å; I380-V590 HydrophobicContact CG2-CG1 3.96Å; I380-V590 HydrophobicContact CG2-CG2 4Å |
| 381 | E | 92 | Very high | 90.5 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | -179.4 | -179.6 | 61.8 | -159.2 | 0 | 0 | 112.2 | L58 S377 V378 L379 R384 R385 L575 | L58-E381 HydrophobicContact CD1-CG 4.35Å; L58-E381 HydrophobicContact CD2-CB 4.35Å; L58-E381 HydrophobicContact CD2-CG 3.35Å; L58-E381 HydrophobicContact CG-CG 4.47Å; S377-E381 VanDerWaalsContact O-CB 3.22Å; S377-E381 WeakPolarHBondContact O-CB 2.83Å; S377-E381 PolarHBondContact O-N 2.92Å; V378-E381 PolarHBondContact O-N 3.06Å; L379-E381 VanDerWaalsContact C-N 3.3Å; L379-E381 PolarHBondContact O-N 2.87Å; E381-R384 WeakPolarHBondContact O-CB 3.4Å; E381-R384 PolarHBondContact O-N 2.86Å; E381-R384 IonicContact OE1-CZ 3.09Å; E381-R384 IonicContact OE1-NE 3.13Å; E381-R384 PolarHBondContact OE1-NE 2.99Å; E381-R384 IonicContact OE1-NH2 3.42Å; E381-R384 PolarHBondContact OE1-NH2 3.36Å; E381-R384 IonicContact OE2-CZ 3.02Å; E381-R384 IonicContact OE2-NE 2.62Å; E381-R384 PolarHBondContact OE2-NE 3.11Å; E381-R384 IonicContact OE2-NH2 3.56Å; E381-R384 PolarHBondContact OE2-NH2 2.78Å; E381-R385 WeakPolarHBondContact O-CG 3.46Å; E381-R385 PolarHBondContact O-N 2.85Å; E381-R385 IonicContact OE1-CZ 3.8Å; E381-R385 IonicContact OE1-NE 3.8Å; E381-R385 PolarHBondContact OE1-NE 2.79Å; E381-R385 IonicContact OE1-NH2 2.95Å; E381-R385 PolarHBondContact OE1-NH2 2.54Å; E381-L575 HydrophobicContact CB-CD2 4.17Å |
| 382 | N | 91 | Very high | 91.1 | Very high | 38 Ų | 38 | 18.5 Ų | 18.5 | 20% | 0.203 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61 | -50.5 | 170.5 | -80.4 | -34.5 | 0 | 0 | 0 | 111.2 | L58 V378 L379 R384 R385 E386 | L58-N382 WeakPolarHBondContact CD1-OD1 3.15Å; V378-N382 PolarHBondContact O-N 2.82Å; V378-N382 PolarHBondContact O-ND2 2.81Å; L379-N382 PolarHBondContact O-N 2.77Å; N382-R384 PolarHBondContact O-N 3.34Å; N382-R385 PolarHBondContact O-N 2.83Å; N382-R385 VanDerWaalsContact O-N 3.11Å; N382-E386 VanDerWaalsContact O-CG 3.28Å; N382-E386 WeakPolarHBondContact O-CG 3.46Å; N382-E386 PolarHBondContact O-N 3.5Å |
| 383 | M | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.5 | -40.7 | 177 | -70.1 | -178.9 | 71.9 | 0 | 0 | 111.5 | F321 I341 R344 L345 L379 I380 R385 E386 G387 F388 L390 | F321-M383 HydrophobicContact CD2-SD 4.34Å; F321-M383 HydrophobicContact CE2-SD 4.04Å; I341-M383 HydrophobicContact CG2-CE 4.34Å; R344-M383 HydrophobicContact CB-CE 4.44Å; R344-M383 HydrophobicContact CG-CE 4.02Å; R344-M383 HydrophobicContact CG-CG 4.06Å; R344-M383 HydrophobicContact CG-SD 4.35Å; L345-M383 HydrophobicContact CD2-SD 4.22Å; L379-M383 HydrophobicContact CD1-CG 4.31Å; L379-M383 HydrophobicContact CD1-SD 4.27Å; L379-M383 HydrophobicContact CG-SD 4.31Å; L379-M383 WeakPolarHBondContact O-CG 3Å; L379-M383 PolarHBondContact O-N 3.45Å; I380-M383 PolarHBondContact O-N 2.78Å; M383-R385 PolarHBondContact O-N 2.83Å; M383-E386 PolarHBondContact O-N 2.75Å; M383-G387 PolarHBondContact O-N 3.14Å; M383-F388 HydrophobicContact CB-CB 4.05Å; M383-F388 HydrophobicContact CB-CD2 4.31Å; M383-F388 HydrophobicContact CB-CG 4.31Å; M383-F388 HydrophobicContact CE-CB 4.36Å; M383-F388 HydrophobicContact CE-CD1 3.89Å; M383-F388 HydrophobicContact CE-CE1 4.36Å; M383-F388 HydrophobicContact CE-CG 4.02Å; M383-F388 VanDerWaalsContact O-CB 3.31Å; M383-F388 WeakPolarHBondContact O-CB 3.4Å; M383-F388 PolarHBondContact O-N 2.97Å; M383-L390 HydrophobicContact CB-CD2 4.43Å; M383-L390 HydrophobicContact CE-CD1 4.39Å; M383-L390 HydrophobicContact CE-CD2 4.49Å |
| 384 | R | 94 | Very high | 92.3 | Very high | 50 Ų | 50 | 18.2 Ų | 18.2 | 19% | 0.189 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56 | -51.2 | 174.5 | -168.4 | 177 | 77.1 | 101.6 | -4.1 | 111.3 | I380 E381 N382 E386 G387 V590 T591 P592 | I380-R384 WeakPolarHBondContact O-CB 3.4Å; I380-R384 PolarHBondContact O-N 3.29Å; E381-R384 WeakPolarHBondContact O-CB 3.4Å; E381-R384 PolarHBondContact O-N 2.86Å; E381-R384 IonicContact OE1-CZ 3.09Å; E381-R384 IonicContact OE1-NE 3.13Å; E381-R384 PolarHBondContact OE1-NE 2.99Å; E381-R384 IonicContact OE1-NH2 3.42Å; E381-R384 PolarHBondContact OE1-NH2 3.36Å; E381-R384 IonicContact OE2-CZ 3.02Å; E381-R384 IonicContact OE2-NE 2.62Å; E381-R384 PolarHBondContact OE2-NE 3.11Å; E381-R384 IonicContact OE2-NH2 3.56Å; E381-R384 PolarHBondContact OE2-NH2 2.78Å; N382-R384 PolarHBondContact O-N 3.34Å; R384-E386 VanDerWaalsContact C-N 3.32Å; R384-E386 PolarHBondContact O-N 2.97Å; R384-G387 PolarHBondContact O-N 3.16Å; R384-G387 VanDerWaalsContact O-N 3.17Å; R384-V590 HydrophobicContact CB-CG1 4Å; R384-V590 VanDerWaalsContact CD-CG1 3.47Å; R384-V590 HydrophobicContact CG-CG1 3.76Å; R384-T591 VanDerWaalsContact CD-O 3.24Å; R384-T591 WeakPolarHBondContact CD-O 3.29Å; R384-T591 WeakPolarHBondContact CG-O 3.16Å; R384-P592 PolarHBondContact NH1-O 3.35Å; R384-P592 VanDerWaalsContact O-CA 3.28Å; R384-P592 WeakPolarHBondContact O-CA 3.23Å; R384-P592 WeakPolarHBondContact O-CB 3.27Å |
| 385 | R | 91.5 | Very high | 92.7 | Very high | 92 Ų | 92 | 16.5 Ų | 16.5 | 35% | 0.347 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -66.1 | -32.7 | 178.7 | -69.1 | 177.1 | -167.2 | -142.1 | -6.2 | 113.2 | L58 E61 E381 N382 M383 G387 | L58-R385 VanDerWaalsContact CD2-NH2 3.34Å; E61-R385 IonicContact OE1-CZ 2.9Å; E61-R385 VanDerWaalsContact OE1-CZ 3.28Å; E61-R385 IonicContact OE1-NH1 2.76Å; E61-R385 PolarHBondContact OE1-NH1 2.86Å; E61-R385 IonicContact OE1-NH2 3.43Å; E61-R385 PolarHBondContact OE1-NH2 3.25Å; E61-R385 IonicContact OE2-CZ 2.64Å; E61-R385 IonicContact OE2-NH1 3.64Å; E61-R385 IonicContact OE2-NH2 2.79Å; E61-R385 PolarHBondContact OE2-NH2 2.66Å; E381-R385 WeakPolarHBondContact O-CG 3.46Å; E381-R385 PolarHBondContact O-N 2.85Å; E381-R385 IonicContact OE1-CZ 3.8Å; E381-R385 IonicContact OE1-NE 3.8Å; E381-R385 PolarHBondContact OE1-NE 2.79Å; E381-R385 IonicContact OE1-NH2 2.95Å; E381-R385 PolarHBondContact OE1-NH2 2.54Å; N382-R385 PolarHBondContact O-N 2.83Å; N382-R385 VanDerWaalsContact O-N 3.11Å; M383-R385 PolarHBondContact O-N 2.83Å; R385-G387 PolarHBondContact O-N 3.47Å |
| 386 | E | 92.6 | Very high | 92.9 | Very high | 82 Ų | 82 | 21 Ų | 21 | 38% | 0.383 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -69.5 | -13.6 | 175.9 | -71.5 | 173.1 | -145.7 | 0 | 0 | 113.2 | F335 R344 N382 M383 R384 F388 | F335-E386 WeakPolarHBondContact CE2-O 3.22Å; R344-E386 VanDerWaalsContact CD-OE2 3.29Å; R344-E386 WeakPolarHBondContact CD-OE2 3.46Å; R344-E386 IonicContact CZ-OE1 3.28Å; R344-E386 IonicContact CZ-OE2 3.17Å; R344-E386 VanDerWaalsContact NE-CD 3.31Å; R344-E386 IonicContact NE-OE1 3.8Å; R344-E386 PolarHBondContact NE-OE1 3.27Å; R344-E386 VanDerWaalsContact NE-OE1 3.08Å; R344-E386 IonicContact NE-OE2 3.59Å; R344-E386 PolarHBondContact NE-OE2 2.88Å; R344-E386 IonicContact NH2-OE1 3.02Å; R344-E386 PolarHBondContact NH2-OE1 2.84Å; N382-E386 VanDerWaalsContact O-CG 3.28Å; N382-E386 WeakPolarHBondContact O-CG 3.46Å; N382-E386 PolarHBondContact O-N 3.5Å; M383-E386 PolarHBondContact O-N 2.75Å; R384-E386 VanDerWaalsContact C-N 3.32Å; R384-E386 PolarHBondContact O-N 2.97Å; E386-F388 HydrophobicContact CB-CD2 4.01Å; E386-F388 HydrophobicContact CB-CE2 4.3Å |
| 387 | G | 94.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 10% | 0.103 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.7 | 12.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G333 K334 F335 M383 R384 R385 | G333-G387 WeakPolarHBondContact CA-O 3.29Å; K334-G387 PolarHBondContact N-O 2.89Å; F335-G387 PolarHBondContact N-O 3.3Å; M383-G387 PolarHBondContact O-N 3.14Å; R384-G387 PolarHBondContact O-N 3.16Å; R384-G387 VanDerWaalsContact O-N 3.17Å; R385-G387 PolarHBondContact O-N 3.47Å |
| 388 | F | 96.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 150.3 | 174.2 | -75.6 | -98.5 | 0 | 0 | 0 | 111.9 | F335 Q340 I341 R344 M383 E386 L390 P592 | F335-F388 HydrophobicContact CB-CD1 3.49Å; F335-F388 VanDerWaalsContact CB-CD1 3.49Å; F335-F388 HydrophobicContact CB-CD2 4.2Å; F335-F388 HydrophobicContact CB-CE1 3.47Å; F335-F388 VanDerWaalsContact CB-CE1 3.47Å; F335-F388 HydrophobicContact CB-CE2 4.19Å; F335-F388 HydrophobicContact CB-CG 3.85Å; F335-F388 HydrophobicContact CB-CZ 3.82Å; F335-F388 AromaticContact CD2-CD2 3.84Å; F335-F388 HydrophobicContact CD2-CD2 3.84Å; F335-F388 HydrophobicContact CD2-CE1 4.5Å; F335-F388 AromaticContact CD2-CE2 3.68Å; F335-F388 HydrophobicContact CD2-CE2 3.68Å; F335-F388 HydrophobicContact CD2-CG 4.3Å; F335-F388 HydrophobicContact CD2-CZ 4.02Å; F335-F388 HydrophobicContact CE2-CE2 4.39Å; F335-F388 HydrophobicContact CG-CD1 4.44Å; F335-F388 HydrophobicContact CG-CD2 4.41Å; F335-F388 HydrophobicContact CG-CE1 4.18Å; F335-F388 HydrophobicContact CG-CE2 4.15Å; F335-F388 HydrophobicContact CG-CZ 4.01Å; F335-F388 WeakPolarHBondContact O-CA 3.4Å; Q340-F388 HydrophobicContact CB-CE1 4.15Å; Q340-F388 WeakPolarHBondContact O-CE1 3.24Å; I341-F388 HydrophobicContact CG1-CD1 4.18Å; I341-F388 HydrophobicContact CG1-CE1 4.44Å; R344-F388 HydrophobicContact CB-CE1 3.94Å; R344-F388 HydrophobicContact CB-CE2 4.13Å; R344-F388 HydrophobicContact CB-CZ 3.52Å; R344-F388 HydrophobicContact CG-CE1 4.4Å; R344-F388 HydrophobicContact CG-CE2 3.89Å; R344-F388 HydrophobicContact CG-CZ 3.81Å; M383-F388 HydrophobicContact CB-CB 4.05Å; M383-F388 HydrophobicContact CB-CD2 4.31Å; M383-F388 HydrophobicContact CB-CG 4.31Å; M383-F388 HydrophobicContact CE-CB 4.36Å; M383-F388 HydrophobicContact CE-CD1 3.89Å; M383-F388 HydrophobicContact CE-CE1 4.36Å; M383-F388 HydrophobicContact CE-CG 4.02Å; M383-F388 VanDerWaalsContact O-CB 3.31Å; M383-F388 WeakPolarHBondContact O-CB 3.4Å; M383-F388 PolarHBondContact O-N 2.97Å; E386-F388 HydrophobicContact CB-CD2 4.01Å; E386-F388 HydrophobicContact CB-CE2 4.3Å; F388-L390 HydrophobicContact CB-CD2 4.15Å; F388-P592 WeakPolarHBondContact O-CD 3.46Å |
| 389 | E | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -129.8 | 119.9 | 170.9 | 172.8 | -176 | 132.8 | 0 | 0 | 108.9 | N324 C329 G330 E332 G333 F335 V336 V590 T591 | N324-E389 HydrophobicContact CB-CG 3.99Å; N324-E389 PolarHBondContact ND2-OE1 3.22Å; C329-E389 WeakPolarHBondContact CA-OE1 3.44Å; G330-E389 PolarHBondContact N-OE1 2.87Å; E332-E389 PolarHBondContact N-OE2 3.1Å; G333-E389 PolarHBondContact N-OE2 2.88Å; F335-E389 PolarHBondContact O-N 3.38Å; V336-E389 HydrophobicContact CG1-CB 4.02Å; V336-E389 HydrophobicContact CG1-CG 4.49Å; E389-V590 VanDerWaalsContact CA-O 3.31Å; E389-V590 WeakPolarHBondContact CA-O 3.11Å; E389-T591 HydrophobicContact CG-CG2 3.9Å | ||
| 390 | L | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.5 | -172.1 | 65.4 | 155.2 | 0 | 0 | 0 | 110.9 | F321 C322 I341 M383 F388 V392 V590 | F321-L390 HydrophobicContact CB-CD1 4.44Å; F321-L390 HydrophobicContact CD2-CD1 3.42Å; F321-L390 VanDerWaalsContact CD2-CD1 3.42Å; F321-L390 HydrophobicContact CE2-CD1 3.94Å; F321-L390 HydrophobicContact CG-CD1 4.11Å; C322-L390 WeakPolarHBondContact O-CA 3.35Å; I341-L390 HydrophobicContact CD1-CB 4.22Å; M383-L390 HydrophobicContact CB-CD2 4.43Å; M383-L390 HydrophobicContact CE-CD1 4.39Å; M383-L390 HydrophobicContact CE-CD2 4.49Å; F388-L390 HydrophobicContact CB-CD2 4.15Å; L390-V392 HydrophobicContact CD1-CG1 3.75Å; L390-V392 HydrophobicContact CG-CG1 4.4Å; L390-V590 PolarHBondContact N-O 3.24Å; L390-V590 PolarHBondContact O-N 3.4Å |
| 391 | A | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | C322 L587 V588 | C322-A391 HydrophobicContact CB-CB 4.37Å; C322-A391 PolarHBondContact N-O 3.35Å; C322-A391 PolarHBondContact O-N 2.93Å; A391-L587 HydrophobicContact CB-CB 4.36Å; A391-L587 HydrophobicContact CB-CD1 4.29Å; A391-V588 CarbonylContact C-O 3.57Å; A391-V588 VanDerWaalsContact CA-O 3.23Å; A391-V588 WeakPolarHBondContact CA-O 3.29Å |
| 392 | V | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.8 | 179.7 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | M319 F320 F321 I380 L390 L579 L587 V588 V590 | M319-V392 HydrophobicContact SD-CB 4.37Å; F320-V392 CarbonylContact O-C 3.37Å; F320-V392 VanDerWaalsContact O-CA 3.27Å; F320-V392 WeakPolarHBondContact O-CA 3.48Å; F321-V392 HydrophobicContact CD1-CG1 4.04Å; F321-V392 HydrophobicContact CD2-CG1 4.39Å; F321-V392 HydrophobicContact CE1-CG1 4.25Å; F321-V392 HydrophobicContact CG-CG1 4.13Å; I380-V392 HydrophobicContact CD1-CB 4.33Å; I380-V392 HydrophobicContact CD1-CG1 3.87Å; I380-V392 HydrophobicContact CD1-CG2 4.19Å; I380-V392 HydrophobicContact CG1-CG1 4.14Å; L390-V392 HydrophobicContact CD1-CG1 3.75Å; L390-V392 HydrophobicContact CG-CG1 4.4Å; V392-L579 HydrophobicContact CB-CD2 4.38Å; V392-L579 HydrophobicContact CG2-CD2 3.54Å; V392-L587 WeakPolarHBondContact O-CA 3.41Å; V392-V588 HydrophobicContact CG2-CB 3.77Å; V392-V588 PolarHBondContact N-O 2.98Å; V392-V588 PolarHBondContact O-N 3.49Å; V392-V590 HydrophobicContact CG2-CG2 4.34Å |
| 393 | S | 94.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 172.2 | 176.7 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | F320 I582 | F320-S393 PolarHBondContact N-OG 3.18Å; F320-S393 PolarHBondContact O-N 3.17Å; S393-I582 VanDerWaalsContact C-CD1 3.44Å |
| 394 | R | 90.3 | Very high | 92.1 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 135.5 | 171.4 | -170.8 | -174.9 | 178.8 | 144.3 | 4.8 | 110 | G491 I582 D583 | R394-G491 PolarHBondContact NH1-O 3.26Å; R394-G491 VanDerWaalsContact NH1-O 3.1Å; R394-G491 PolarHBondContact NH2-O 3.06Å; R394-I582 HydrophobicContact CB-CD1 4.01Å; R394-I582 HydrophobicContact CB-CG1 4.12Å; R394-I582 VanDerWaalsContact CD-O 3.26Å; R394-I582 WeakPolarHBondContact CD-O 2.99Å; R394-I582 WeakPolarHBondContact CG-O 3.5Å; R394-D583 IonicContact NH1-OD1 2.71Å; R394-D583 PolarHBondContact NH1-OD1 3.05Å |
| 395 | P | 89.3 | Confident | 91.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 135.2 | 169.5 | 23 | -30.1 | 0 | 0 | 0 | 110.9 | V317 S318 M319 E373 I459 | V317-P395 HydrophobicContact CG1-CB 3.58Å; S318-P395 CarbonylContact O-C 3.58Å; S318-P395 WeakPolarHBondContact O-CA 3.34Å; M319-P395 HydrophobicContact CE-CB 3.79Å; M319-P395 HydrophobicContact CE-CG 4.31Å; E373-P395 HydrophobicContact CG-CG 4.47Å; P395-I459 HydrophobicContact CG-CG2 4.14Å |
| 396 | K | 88.5 | Confident | 92 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144 | 175.4 | -67.9 | -166.8 | 172.9 | -164.4 | 0 | 110.4 | V317 S318 D584 | V317-K396 CarbonylContact C-O 3.55Å; V317-K396 WeakPolarHBondContact CA-O 3.4Å; S318-K396 PolarHBondContact N-O 3.08Å; S318-K396 PolarHBondContact O-N 2.86Å; S318-K396 PolarHBondContact OG-O 2.8Å; K396-D584 VanDerWaalsContact CE-CG 3.49Å; K396-D584 WeakPolarHBondContact CE-OD1 3.44Å; K396-D584 IonicContact NZ-OD1 3.42Å; K396-D584 PolarHBondContact NZ-OD1 3.04Å; K396-D584 VanDerWaalsContact NZ-OD1 3.13Å; K396-D584 IonicContact NZ-OD2 2.61Å; K396-D584 PolarHBondContact NZ-OD2 3.34Å |
| 397 | V | 89.8 | Confident | 92 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 147.3 | 173.2 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | T316 F399 P409 R456 I459 | T316-V397 WeakPolarHBondContact O-CA 3.49Å; V397-F399 HydrophobicContact CG2-CE1 4.21Å; V397-F399 HydrophobicContact CG2-CE2 4.06Å; V397-F399 HydrophobicContact CG2-CZ 3.86Å; V397-P409 HydrophobicContact CB-CG 4.13Å; V397-P409 HydrophobicContact CG1-CG 4.22Å; V397-R456 HydrophobicContact CG1-CB 3.97Å; V397-R456 HydrophobicContact CG2-CB 4.03Å; V397-I459 HydrophobicContact CG1-CD1 4.1Å |
| 398 | I | 89.6 | Confident | 92 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.205 | 26% | 0.262 | C | S | . | . | trans | -88.9 | 107.7 | 174.4 | -58.9 | 173.9 | 0 | 0 | 0 | 108.4 | P315 T316 Y482 | P315-I398 HydrophobicContact CB-CD1 4.06Å; P315-I398 HydrophobicContact CG-CD1 4.26Å; T316-I398 PolarHBondContact O-N 3.22Å; I398-Y482 WeakPolarHBondContact O-CE1 2.97Å; I398-Y482 PolarHBondContact O-OH 3.28Å | ||
| 399 | F | 91 | Very high | 91.7 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | trans | -71.2 | 143.7 | 170.6 | -63.8 | -77.6 | 0 | 0 | 0 | 110.4 | V397 K406 Q407 E408 V485 | V397-F399 HydrophobicContact CG2-CE1 4.21Å; V397-F399 HydrophobicContact CG2-CE2 4.06Å; V397-F399 HydrophobicContact CG2-CZ 3.86Å; F399-K406 HydrophobicContact CB-CG 4.16Å; F399-K406 HydrophobicContact CD1-CD 4.39Å; F399-K406 HydrophobicContact CD1-CG 4.14Å; F399-K406 HydrophobicContact CG-CD 4.48Å; F399-K406 VanDerWaalsContact CG-CE 3.41Å; F399-K406 HydrophobicContact CG-CG 4.36Å; F399-Q407 WeakPolarHBondContact CA-O 3.49Å; F399-E408 HydrophobicContact CD1-CB 3.97Å; F399-E408 HydrophobicContact CE1-CB 3.88Å; F399-V485 HydrophobicContact CD1-CG2 3.65Å; F399-V485 HydrophobicContact CE1-CG1 4.31Å; F399-V485 HydrophobicContact CE1-CG2 3.58Å | ||
| 400 | R | 89 | Confident | 91.4 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.3 | 173.9 | -65.9 | -176.4 | -174.3 | 175.4 | 6 | 109.7 | P315 I402 Q407 Y482 | P315-R400 PolarHBondContact O-NH2 2.95Å; R400-I402 HydrophobicContact CB-CD1 4.23Å; R400-I402 HydrophobicContact CB-CG1 4.25Å; R400-Q407 PolarHBondContact N-O 3.05Å; R400-Q407 PolarHBondContact O-N 3.24Å; R400-Y482 HydrophobicContact CB-CD1 4.18Å; R400-Y482 HydrophobicContact CB-CE1 3.98Å; R400-Y482 HydrophobicContact CG-CD1 4.24Å; R400-Y482 HydrophobicContact CG-CE1 3.62Å; R400-Y482 PolarHBondContact NE-OH 3.13Å |
| 401 | E | 90.9 | Very high | 91 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.9 | 166.9 | -67.5 | -169.4 | 171.5 | 0 | 0 | 108.4 | R405 | E401-R405 WeakPolarHBondContact CA-O 3.22Å |
| 402 | I | 88.9 | Confident | 90.6 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.8 | 177.6 | -63 | 168.6 | 0 | 0 | 0 | 106.5 | R400 G404 R405 Q407 | R400-I402 HydrophobicContact CB-CD1 4.23Å; R400-I402 HydrophobicContact CB-CG1 4.25Å; I402-G404 PolarHBondContact O-N 3.01Å; I402-G404 VanDerWaalsContact O-N 3.15Å; I402-R405 PolarHBondContact N-O 2.96Å; I402-R405 PolarHBondContact O-N 3.29Å; I402-Q407 VanDerWaalsContact CD1-OE1 3.3Å |
| 403 | D | 88.8 | Confident | 90.2 | Very high | 157 Ų | 157 | 57.4 Ų | 57.4 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.9 | -177.5 | -57.2 | -37.3 | 0 | 0 | 0 | 114.2 | R405 | D403-R405 PolarHBondContact O-N 3.42Š|
| 404 | G | 89.4 | Confident | 89.9 | Confident | 77 Ų | 77 | 58.4 Ų | 58.4 | 79% | 0.794 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 7.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I402 | I402-G404 PolarHBondContact O-N 3.01Å; I402-G404 VanDerWaalsContact O-N 3.15Å |
| 405 | R | 89.7 | Confident | 89.8 | Confident | 151 Ų | 151 | 57.2 Ų | 57.2 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.6 | 176.3 | -56.5 | -174.6 | -171.3 | -178.3 | 6.7 | 110.5 | E401 I402 D403 Q407 D484 | E401-R405 WeakPolarHBondContact CA-O 3.22Å; I402-R405 PolarHBondContact N-O 2.96Å; I402-R405 PolarHBondContact O-N 3.29Å; D403-R405 PolarHBondContact O-N 3.42Å; R405-Q407 PolarHBondContact O-N 3.08Å; R405-D484 WeakPolarHBondContact CD-OD1 3.48Å; R405-D484 IonicContact NH1-OD2 2.81Å; R405-D484 PolarHBondContact NH1-OD2 2.9Å; R405-D484 VanDerWaalsContact NH1-OD2 3.13Å |
| 406 | K | 92.5 | Very high | 89.6 | Confident | 115 Ų | 115 | 58.7 Ų | 58.7 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.3 | 171.5 | -169 | 176.7 | -175.8 | 171.9 | 0 | 108.6 | F399 V485 | F399-K406 HydrophobicContact CB-CG 4.16Å; F399-K406 HydrophobicContact CD1-CD 4.39Å; F399-K406 HydrophobicContact CD1-CG 4.14Å; F399-K406 HydrophobicContact CG-CD 4.48Å; F399-K406 VanDerWaalsContact CG-CE 3.41Å; F399-K406 HydrophobicContact CG-CG 4.36Å; K406-V485 HydrophobicContact CB-CG2 4.49Å; K406-V485 HydrophobicContact CG-CG2 4.07Å; K406-V485 WeakPolarHBondContact O-CG2 3.33Å; K406-V485 PolarHBondContact O-N 2.68Å |
| 407 | Q | 93.9 | Very high | 89.6 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.3 | -179.7 | -63.7 | -165.4 | -18.2 | 0 | 0 | 111.3 | F399 R400 I402 R405 Y482 D483 D484 | F399-Q407 WeakPolarHBondContact CA-O 3.49Å; R400-Q407 PolarHBondContact N-O 3.05Å; R400-Q407 PolarHBondContact O-N 3.24Å; I402-Q407 VanDerWaalsContact CD1-OE1 3.3Å; R405-Q407 PolarHBondContact O-N 3.08Å; Q407-Y482 HydrophobicContact CB-CD1 4.04Å; Q407-D483 CarbonylContact C-O 3.6Å; Q407-D483 WeakPolarHBondContact CA-O 3.36Å; Q407-D483 VanDerWaalsContact CB-O 3.27Å; Q407-D483 WeakPolarHBondContact CB-O 3.22Å; Q407-D484 PolarHBondContact NE2-OD1 2.83Å |
| 408 | E | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.8 | 173.3 | 66.1 | -175.8 | 140 | 0 | 0 | 111.4 | F399 Y410 P454 R456 Y482 D483 V485 R486 | F399-E408 HydrophobicContact CD1-CB 3.97Å; F399-E408 HydrophobicContact CE1-CB 3.88Å; E408-Y410 HydrophobicContact CG-CD2 4.46Å; E408-Y410 HydrophobicContact CG-CE2 3.88Å; E408-Y410 WeakPolarHBondContact O-CD2 3.48Å; E408-P454 HydrophobicContact CG-CB 4.2Å; E408-R456 IonicContact OE1-CZ 3.13Å; E408-R456 IonicContact OE1-NE 2.79Å; E408-R456 IonicContact OE1-NH2 3.38Å; E408-R456 PolarHBondContact OE1-NH2 3.49Å; E408-R456 IonicContact OE2-CZ 3.78Å; E408-R456 IonicContact OE2-NE 2.81Å; E408-R456 PolarHBondContact OE2-NE 3.23Å; E408-R456 IonicContact OE2-NH2 2.9Å; E408-R456 PolarHBondContact OE2-NH2 2.95Å; E408-Y482 WeakPolarHBondContact O-CA 3.26Å; E408-D483 PolarHBondContact N-O 2.98Å; E408-D483 PolarHBondContact O-N 2.77Å; E408-D483 VanDerWaalsContact O-N 3.12Å; E408-V485 HydrophobicContact CB-CG2 3.98Å; E408-V485 HydrophobicContact CG-CG2 4.09Å; E408-V485 WeakPolarHBondContact OE1-CA 3.34Å; E408-R486 PolarHBondContact OE1-N 3.28Å |
| 409 | P | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135 | 177.2 | 28.5 | -33 | 0 | 0 | 0 | 111.3 | V397 S455 F479 Y482 | V397-P409 HydrophobicContact CB-CG 4.13Å; V397-P409 HydrophobicContact CG1-CG 4.22Å; P409-S455 WeakPolarHBondContact CB-OG 3.45Å; P409-S455 WeakPolarHBondContact CG-OG 3.31Å; P409-S455 WeakPolarHBondContact O-CB 3.18Å; P409-S455 PolarHBondContact O-N 2.77Å; P409-S455 PolarHBondContact O-OG 3.31Å; P409-F479 HydrophobicContact CB-CD2 4.22Å; P409-F479 HydrophobicContact CB-CE2 3.86Å; P409-Y482 HydrophobicContact CB-CD2 4.48Å; P409-Y482 HydrophobicContact CB-CE1 4.22Å; P409-Y482 HydrophobicContact CB-CE2 4.01Å; P409-Y482 HydrophobicContact CG-CE1 4.37Å |
| 410 | Y | 90.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 149 | 171.8 | -76.5 | -105.6 | 0 | 0 | 0 | 111.5 | E408 V452 I453 P454 S480 H481 D483 D484 R486 | E408-Y410 HydrophobicContact CG-CD2 4.46Å; E408-Y410 HydrophobicContact CG-CE2 3.88Å; E408-Y410 WeakPolarHBondContact O-CD2 3.48Å; Y410-V452 HydrophobicContact CD1-CG1 3.93Å; Y410-I453 WeakPolarHBondContact CA-O 3.48Å; Y410-P454 HydrophobicContact CD1-CB 4.34Å; Y410-P454 HydrophobicContact CE1-CB 4.14Å; Y410-P454 HydrophobicContact CE1-CG 4.41Å; Y410-S480 WeakPolarHBondContact O-CB 3.09Å; Y410-S480 PolarHBondContact O-N 3.25Å; Y410-H481 PolarHBondContact N-O 3.29Å; Y410-D483 HydrophobicContact CD2-CB 3.8Å; Y410-D483 HydrophobicContact CE2-CB 3.59Å; Y410-D484 PolarHBondContact OH-O 3.04Å; Y410-R486 WeakPolarHBondContact OH-CD 3.3Å; Y410-R486 VanDerWaalsContact OH-CG 3.25Å; Y410-R486 WeakPolarHBondContact OH-CG 3.06Å; Y410-R486 PolarHBondContact OH-NE 2.9Å |
| 411 | E | 87.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 59 Ų | 59 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.7 | 176.2 | -66.1 | -173.8 | -120.9 | 0 | 0 | 111 | V413 V452 I453 S455 L458 S477 T478 | E411-V413 HydrophobicContact CB-CG2 4.34Å; E411-V452 WeakPolarHBondContact O-CA 3.39Å; E411-I453 PolarHBondContact N-O 3.3Å; E411-I453 PolarHBondContact O-N 2.9Å; E411-S455 WeakPolarHBondContact OE1-CB 3.32Å; E411-S455 PolarHBondContact OE1-OG 3.4Å; E411-L458 HydrophobicContact CB-CD2 4.42Å; E411-S477 WeakPolarHBondContact OE2-CB 3.43Å; E411-S477 PolarHBondContact OE2-OG 3.39Å; E411-T478 CarbonylContact C-O 3.54Å; E411-T478 WeakPolarHBondContact CA-O 3.27Å |
| 412 | N | 87.2 | Confident | 89.8 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.9 | 164.1 | -63.4 | -24.3 | 0 | 0 | 0 | 107.3 | Y451 V452 S477 T478 S480 | N412-Y451 CarbonylContact C-O 3.5Å; N412-Y451 WeakPolarHBondContact CA-O 3.37Å; N412-V452 WeakPolarHBondContact OD1-CG2 3.35Å; N412-S477 CarbonylContact O-C 3.47Å; N412-S477 VanDerWaalsContact O-CA 3.3Å; N412-S477 WeakPolarHBondContact O-CA 3.19Å; N412-T478 PolarHBondContact N-O 2.97Å; N412-T478 PolarHBondContact O-N 2.82Å; N412-S480 PolarHBondContact ND2-OG 3.3Å; N412-S480 VanDerWaalsContact OD1-CB 3.31Å; N412-S480 WeakPolarHBondContact OD1-CB 3.35Å; N412-S480 PolarHBondContact OD1-OG 2.91Å |
| 413 | V | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.2 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | E411 L415 D450 Y451 I453 L458 L475 Y476 | E411-V413 HydrophobicContact CB-CG2 4.34Å; V413-L415 HydrophobicContact CB-CD1 4.48Å; V413-L415 HydrophobicContact CG1-CD1 3.66Å; V413-L415 HydrophobicContact CG1-CG 3.95Å; V413-D450 CarbonylContact O-C 3.59Å; V413-D450 WeakPolarHBondContact O-CA 3.41Å; V413-Y451 PolarHBondContact N-O 3.38Å; V413-Y451 PolarHBondContact O-N 3.21Å; V413-I453 HydrophobicContact CB-CG2 4.44Å; V413-I453 HydrophobicContact CG2-CG2 3.45Å; V413-I453 VanDerWaalsContact CG2-CG2 3.45Å; V413-L458 HydrophobicContact CG2-CD1 3.98Å; V413-L458 HydrophobicContact CG2-CD2 3.92Å; V413-L475 HydrophobicContact CG1-CD1 4.44Å; V413-L475 HydrophobicContact CG1-CD2 4.3Å; V413-L475 HydrophobicContact CG1-CG 4.06Å; V413-Y476 CarbonylContact C-O 3.48Å; V413-Y476 WeakPolarHBondContact CA-O 3.46Å; V413-Y476 WeakPolarHBondContact CG1-O 3.48Å |
| 414 | T | 86.7 | Confident | 90.3 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.1 | 172.8 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | R448 L449 D450 Y476 | T414-R448 HydrophobicContact CG2-CG 3.78Å; T414-L449 CarbonylContact C-O 3.49Å; T414-L449 WeakPolarHBondContact CA-O 3.39Å; T414-D450 WeakPolarHBondContact CB-OD1 3.44Å; T414-D450 WeakPolarHBondContact CG2-OD1 3.46Å; T414-D450 PolarHBondContact OG1-OD1 3.07Å; T414-Y476 PolarHBondContact N-O 2.91Å; T414-Y476 WeakPolarHBondContact O-CD2 3.36Å; T414-Y476 PolarHBondContact O-N 2.77Å |
| 415 | L | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.6 | 177.6 | -50.4 | 97 | 0 | 0 | 0 | 110 | V413 V425 L429 R448 L449 Y451 F461 F465 L474 L475 | V413-L415 HydrophobicContact CB-CD1 4.48Å; V413-L415 HydrophobicContact CG1-CD1 3.66Å; V413-L415 HydrophobicContact CG1-CG 3.95Å; L415-V425 HydrophobicContact CD2-CG1 3.83Å; L415-L429 HydrophobicContact CD1-CD1 3.51Å; L415-L429 HydrophobicContact CD2-CD1 3.85Å; L415-L429 HydrophobicContact CG-CD1 4.36Å; L415-R448 CarbonylContact O-C 3.49Å; L415-R448 VanDerWaalsContact O-CA 3.24Å; L415-R448 WeakPolarHBondContact O-CA 3.46Å; L415-L449 HydrophobicContact CB-CB 4.38Å; L415-L449 HydrophobicContact CD1-CB 4.28Å; L415-L449 PolarHBondContact N-O 3.09Å; L415-L449 PolarHBondContact O-N 2.81Å; L415-Y451 HydrophobicContact CD1-CD2 3.83Å; L415-Y451 HydrophobicContact CD1-CE2 4.47Å; L415-F461 HydrophobicContact CD2-CE1 4.03Å; L415-F465 HydrophobicContact CB-CE2 4.39Å; L415-F465 HydrophobicContact CD2-CD2 3.79Å; L415-F465 HydrophobicContact CD2-CE2 3.49Å; L415-F465 VanDerWaalsContact CD2-CE2 3.49Å; L415-F465 HydrophobicContact CD2-CZ 4.14Å; L415-L474 CarbonylContact C-O 3.51Å; L415-L474 VanDerWaalsContact CA-O 3.25Å; L415-L474 WeakPolarHBondContact CA-O 3.44Å; L415-L475 HydrophobicContact CD2-CB 4.46Å; L415-L475 HydrophobicContact CD2-CD1 3.73Å; L415-L475 HydrophobicContact CD2-CG 4.1Å; L415-L475 HydrophobicContact CG-CD1 4.45Å; L415-L475 HydrophobicContact CG-CG 4.32Å |
| 416 | D | 85.3 | Confident | 90.8 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115 | 172.7 | -171.1 | -54.1 | 0 | 0 | 0 | 108.3 | R446 G473 L474 | D416-R446 PolarHBondContact O-NH2 3.05Å; D416-R446 VanDerWaalsContact O-NH2 3.16Å; D416-R446 IonicContact OD1-CZ 2.73Å; D416-R446 IonicContact OD1-NE 3.47Å; D416-R446 PolarHBondContact OD1-NE 3.47Å; D416-R446 IonicContact OD1-NH2 3.87Å; D416-R446 PolarHBondContact OD1-NH2 2.99Å; D416-G473 WeakPolarHBondContact O-CA 3.44Å; D416-L474 HydrophobicContact CB-CB 4.18Å; D416-L474 HydrophobicContact CB-CD1 4.46Å; D416-L474 PolarHBondContact N-O 3.45Å; D416-L474 PolarHBondContact O-N 2.71Å |
| 417 | V | 88.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.7 | -172.9 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | H421 V425 R446 V447 L449 F465 T469 | V417-H421 HydrophobicContact CB-CB 4.33Å; V417-V425 HydrophobicContact CG1-CG2 4.24Å; V417-R446 CarbonylContact O-C 3.43Å; V417-R446 VanDerWaalsContact O-CA 3.27Å; V417-R446 WeakPolarHBondContact O-CA 3.44Å; V417-V447 HydrophobicContact CG2-CG1 3.76Å; V417-V447 PolarHBondContact N-O 2.8Å; V417-V447 PolarHBondContact O-N 2.84Å; V417-L449 HydrophobicContact CG2-CD1 4.36Å; V417-F465 HydrophobicContact CG1-CE2 3.55Å; V417-F465 HydrophobicContact CG1-CZ 3.66Å; V417-T469 HydrophobicContact CG1-CG2 3.89Å |
| 418 | E | 85.9 | Confident | 90.8 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 145.7 | 167.3 | -66.5 | 166.2 | -178.2 | 0 | 0 | 110.3 | Q420 H421 G445 R446 T472 | E418-Q420 HydrophobicContact CB-CG 4.05Å; E418-Q420 PolarHBondContact O-N 2.97Å; E418-Q420 PolarHBondContact OE2-NE2 2.91Å; E418-H421 PolarHBondContact O-N 3.44Å; E418-H421 IonicContact OE2-CE1 2.9Å; E418-H421 PolarHBondContact OE2-CE1 3.02Å; E418-H421 IonicContact OE2-ND1 2.68Å; E418-G445 WeakPolarHBondContact CA-O 3.5Å; E418-R446 HydrophobicContact CG-CG 4.46Å; E418-R446 IonicContact OE1-NH1 2.69Å; E418-T472 PolarHBondContact OE1-OG1 2.86Å; E418-T472 PolarHBondContact OE2-OG1 2.82Å |
| 419 | E | 90.1 | Very high | 90.8 | Very high | 98 Ų | 98 | 39 Ų | 39 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -53.2 | -32.6 | -177.8 | -75.6 | 176.6 | -177.5 | 0 | 0 | 112.8 | H421 Q422 G445 | E419-H421 PolarHBondContact O-N 3.14Å; E419-Q422 VanDerWaalsContact O-CB 3.26Å; E419-Q422 WeakPolarHBondContact O-CB 3.4Å; E419-Q422 PolarHBondContact O-N 3.26Å; E419-Q422 VanDerWaalsContact O-N 3.17Å; E419-G445 PolarHBondContact N-O 2.89Å |
| 420 | Q | 92.1 | Very high | 90.9 | Very high | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62 | -26.9 | 177.4 | 70.2 | 179.2 | -19.4 | 0 | 0 | 114.1 | E418 | E418-Q420 HydrophobicContact CB-CG 4.05Å; E418-Q420 PolarHBondContact O-N 2.97Å; E418-Q420 PolarHBondContact OE2-NE2 2.91Å |
| 421 | H | 91.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -95.7 | -6.8 | 179.8 | -56.4 | 134.9 | 0 | 0 | 0 | 112.8 | V417 E418 E419 G423 S424 V425 T469 | V417-H421 HydrophobicContact CB-CB 4.33Å; E418-H421 PolarHBondContact O-N 3.44Å; E418-H421 IonicContact OE2-CE1 2.9Å; E418-H421 PolarHBondContact OE2-CE1 3.02Å; E418-H421 IonicContact OE2-ND1 2.68Å; E419-H421 PolarHBondContact O-N 3.14Å; H421-G423 PolarHBondContact O-N 2.84Å; H421-S424 PolarHBondContact O-N 3.24Å; H421-S424 PolarHBondContact O-OG 2.68Å; H421-V425 HydrophobicContact CB-CG2 4.45Å; H421-V425 WeakPolarHBondContact O-CB 3.25Å; H421-V425 VanDerWaalsContact O-CG2 3.29Å; H421-V425 WeakPolarHBondContact O-CG2 3.32Å; H421-V425 PolarHBondContact O-N 3.17Å; H421-V425 VanDerWaalsContact O-N 3.11Å; H421-T469 HydrophobicContact CB-CG2 4.2Å; H421-T469 PolarHBondContact CE1-O 2.7Å |
| 422 | Q | 93.3 | Very high | 91 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.1 | -50.3 | -174.8 | -179.7 | -175 | -21.5 | 0 | 0 | 112.1 | E419 V425 M426 M439 V447 | E419-Q422 VanDerWaalsContact O-CB 3.26Å; E419-Q422 WeakPolarHBondContact O-CB 3.4Å; E419-Q422 PolarHBondContact O-N 3.26Å; E419-Q422 VanDerWaalsContact O-N 3.17Å; Q422-V425 PolarHBondContact O-N 3.4Å; Q422-M426 HydrophobicContact CG-CG 4.41Å; Q422-M426 HydrophobicContact CG-SD 3.79Å; Q422-M426 WeakPolarHBondContact O-CB 3.38Å; Q422-M426 VanDerWaalsContact O-CG 3.23Å; Q422-M426 WeakPolarHBondContact O-CG 3.5Å; Q422-M426 PolarHBondContact O-N 2.76Å; Q422-M439 PolarHBondContact NE2-SD 2.91Å; Q422-V447 HydrophobicContact CB-CG1 3.97Å; Q422-V447 HydrophobicContact CG-CG1 3.98Å |
| 423 | G | 94.7 | Very high | 91.2 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H421 M426 Q427 | H421-G423 PolarHBondContact O-N 2.84Å; G423-M426 PolarHBondContact O-N 2.66Å; G423-Q427 PolarHBondContact O-N 3.37Å; G423-Q427 VanDerWaalsContact O-N 3.08Å |
| 424 | S | 94 | Very high | 91.3 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 180 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | H421 Q427 A428 M468 | H421-S424 PolarHBondContact O-N 3.24Å; H421-S424 PolarHBondContact O-OG 2.68Å; S424-Q427 PolarHBondContact O-N 2.96Å; S424-A428 PolarHBondContact O-N 3.25Å; S424-A428 VanDerWaalsContact O-N 3.12Å; S424-M468 VanDerWaalsContact CB-SD 3.57Å |
| 425 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L415 V417 H421 Q422 Q427 A428 L429 L449 F465 M468 T469 | L415-V425 HydrophobicContact CD2-CG1 3.83Å; V417-V425 HydrophobicContact CG1-CG2 4.24Å; H421-V425 HydrophobicContact CB-CG2 4.45Å; H421-V425 WeakPolarHBondContact O-CB 3.25Å; H421-V425 VanDerWaalsContact O-CG2 3.29Å; H421-V425 WeakPolarHBondContact O-CG2 3.32Å; H421-V425 PolarHBondContact O-N 3.17Å; H421-V425 VanDerWaalsContact O-N 3.11Å; Q422-V425 PolarHBondContact O-N 3.4Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 2.6Å; V425-A428 PolarHBondContact O-N 3.25Å; V425-L429 HydrophobicContact CG1-CD1 4.01Å; V425-L429 PolarHBondContact O-N 3.48Å; V425-L429 VanDerWaalsContact O-N 3.09Å; V425-L449 HydrophobicContact CG1-CD1 4.02Å; V425-F465 HydrophobicContact CG1-CD2 4.45Å; V425-F465 HydrophobicContact CG1-CE2 4.24Å; V425-F465 HydrophobicContact CG2-CD2 4.17Å; V425-F465 HydrophobicContact CG2-CE2 4.06Å; V425-M468 HydrophobicContact CB-SD 4.39Å; V425-M468 HydrophobicContact CG2-SD 3.71Å; V425-M468 PolarHBondContact N-SD 3.37Å; V425-T469 HydrophobicContact CG2-CG2 4.02Å |
| 426 | M | 95.3 | Very high | 92 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.2 | -73.2 | 178.8 | 66.9 | 0 | 0 | 112.4 | Q422 G423 G430 L436 M439 L449 Y451 | Q422-M426 HydrophobicContact CG-CG 4.41Å; Q422-M426 HydrophobicContact CG-SD 3.79Å; Q422-M426 WeakPolarHBondContact O-CB 3.38Å; Q422-M426 VanDerWaalsContact O-CG 3.23Å; Q422-M426 WeakPolarHBondContact O-CG 3.5Å; Q422-M426 PolarHBondContact O-N 2.76Å; G423-M426 PolarHBondContact O-N 2.66Å; M426-G430 PolarHBondContact O-N 2.95Å; M426-L436 HydrophobicContact CE-CD2 4.09Å; M426-M439 HydrophobicContact CE-CE 3.66Å; M426-M439 HydrophobicContact SD-CE 3.41Å; M426-M439 WeakPolarHBondContact SD-CE 3.48Å; M426-L449 HydrophobicContact CG-CD1 3.98Å; M426-Y451 WeakPolarHBondContact CA-OH 3.37Å; M426-Y451 WeakPolarHBondContact CG-OH 3.3Å |
| 427 | Q | 93.9 | Very high | 92.4 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.8 | -51 | 177.5 | -179 | -178.2 | -11.1 | 0 | 0 | 111.1 | G423 S424 V425 L429 G430 E431 | G423-Q427 PolarHBondContact O-N 3.37Å; G423-Q427 VanDerWaalsContact O-N 3.08Å; S424-Q427 PolarHBondContact O-N 2.96Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 2.6Å; Q427-L429 PolarHBondContact O-N 2.76Å; Q427-G430 PolarHBondContact O-N 3.42Å; Q427-G430 VanDerWaalsContact O-N 3.16Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.25Å; Q427-E431 PolarHBondContact NE2-OE1 3.03Å; Q427-E431 WeakPolarHBondContact O-CG 3.22Å; Q427-E431 PolarHBondContact O-N 3.48Å |
| 428 | A | 92.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S424 V425 E431 R432 F461 M468 | S424-A428 PolarHBondContact O-N 3.25Å; S424-A428 VanDerWaalsContact O-N 3.12Å; V425-A428 PolarHBondContact O-N 3.25Å; A428-E431 PolarHBondContact O-N 3.42Å; A428-R432 WeakPolarHBondContact O-CB 3.43Å; A428-R432 WeakPolarHBondContact O-CD 3.25Å; A428-R432 VanDerWaalsContact O-CG 3.29Å; A428-R432 WeakPolarHBondContact O-CG 3.21Å; A428-R432 PolarHBondContact O-N 2.87Å; A428-R432 VanDerWaalsContact O-N 3.11Å; A428-F461 HydrophobicContact CB-CE2 3.8Å; A428-F461 HydrophobicContact CB-CZ 4.48Å; A428-M468 HydrophobicContact CB-CE 3.77Å |
| 429 | L | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | 174.2 | -74.8 | 168.9 | 0 | 0 | 0 | 112.3 | L415 V425 Q427 R432 K433 G434 Y451 I453 F461 | L415-L429 HydrophobicContact CD1-CD1 3.51Å; L415-L429 HydrophobicContact CD2-CD1 3.85Å; L415-L429 HydrophobicContact CG-CD1 4.36Å; V425-L429 HydrophobicContact CG1-CD1 4.01Å; V425-L429 PolarHBondContact O-N 3.48Å; V425-L429 VanDerWaalsContact O-N 3.09Å; Q427-L429 PolarHBondContact O-N 2.76Å; L429-R432 CarbonylContact O-C 3.42Å; L429-R432 PolarHBondContact O-N 3.24Å; L429-K433 PolarHBondContact O-N 2.84Å; L429-G434 WeakPolarHBondContact O-CA 3.45Å; L429-G434 PolarHBondContact O-N 3.36Å; L429-Y451 HydrophobicContact CB-CD1 4.01Å; L429-Y451 HydrophobicContact CB-CE1 3.68Å; L429-Y451 HydrophobicContact CB-CE2 4.44Å; L429-Y451 HydrophobicContact CD1-CD1 4.21Å; L429-Y451 HydrophobicContact CD1-CD2 3.56Å; L429-Y451 HydrophobicContact CD1-CE1 4.21Å; L429-Y451 HydrophobicContact CD1-CE2 3.53Å; L429-Y451 HydrophobicContact CD1-CG 3.91Å; L429-I453 HydrophobicContact CD2-CD1 3.72Å; L429-F461 HydrophobicContact CD1-CE1 4.37Å; L429-F461 HydrophobicContact CD1-CZ 4.39Å; L429-F461 HydrophobicContact CD2-CD1 3.99Å; L429-F461 HydrophobicContact CD2-CE1 3.5Å; L429-F461 VanDerWaalsContact CD2-CE1 3.5Å; L429-F461 HydrophobicContact CD2-CE2 4.49Å; L429-F461 HydrophobicContact CD2-CZ 3.78Å; L429-F461 HydrophobicContact CG-CE1 3.89Å; L429-F461 HydrophobicContact CG-CZ 3.72Å |
| 430 | G | 92.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M426 Q427 R432 K433 | M426-G430 PolarHBondContact O-N 2.95Å; Q427-G430 PolarHBondContact O-N 3.42Å; Q427-G430 VanDerWaalsContact O-N 3.16Å; G430-R432 PolarHBondContact O-N 3.4Å; G430-K433 PolarHBondContact O-N 2.87Å |
| 431 | E | 90.3 | Very high | 92.5 | Very high | 127 Ų | 127 | 57 Ų | 57 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.4 | -34.6 | 174.3 | -71.6 | 175 | -167.7 | 0 | 0 | 111.6 | Q427 A428 K433 | Q427-E431 WeakPolarHBondContact CG-OE1 3.25Å; Q427-E431 PolarHBondContact NE2-OE1 3.03Å; Q427-E431 WeakPolarHBondContact O-CG 3.22Å; Q427-E431 PolarHBondContact O-N 3.48Å; A428-E431 PolarHBondContact O-N 3.42Å; E431-K433 PolarHBondContact O-N 3.08Å |
| 432 | R | 90 | Very high | 91.8 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 14.7 | 175.6 | -66.7 | 168.9 | 171.4 | -85.6 | 3.8 | 114.4 | A428 L429 G430 G434 I453 G457 I459 E464 V490 | A428-R432 WeakPolarHBondContact O-CB 3.43Å; A428-R432 WeakPolarHBondContact O-CD 3.25Å; A428-R432 VanDerWaalsContact O-CG 3.29Å; A428-R432 WeakPolarHBondContact O-CG 3.21Å; A428-R432 PolarHBondContact O-N 2.87Å; A428-R432 VanDerWaalsContact O-N 3.11Å; L429-R432 CarbonylContact O-C 3.42Å; L429-R432 PolarHBondContact O-N 3.24Å; G430-R432 PolarHBondContact O-N 3.4Å; R432-G434 VanDerWaalsContact C-N 3.27Å; R432-G434 PolarHBondContact O-N 3.31Å; R432-I453 HydrophobicContact CB-CD1 3.87Å; R432-G457 VanDerWaalsContact CD-O 3.3Å; R432-G457 WeakPolarHBondContact CD-O 3.47Å; R432-G457 PolarHBondContact NH1-O 3.34Å; R432-I459 PolarHBondContact NH1-O 2.9Å; R432-E464 IonicContact CZ-OE2 3.47Å; R432-E464 IonicContact NE-OE2 3.48Å; R432-E464 PolarHBondContact NE-OE2 2.9Å; R432-E464 IonicContact NH2-OE2 3.84Å; R432-E464 PolarHBondContact NH2-OE2 2.92Å; R432-V490 HydrophobicContact CB-CG1 3.93Å; R432-V490 HydrophobicContact CG-CG1 3.94Å |
| 433 | K | 91.8 | Very high | 91.1 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 23.3 | 176.8 | -48.4 | -60.1 | -177.8 | -174.9 | 0 | 114.6 | L429 G430 E431 P454 R486 P487 V490 | L429-K433 PolarHBondContact O-N 2.84Å; G430-K433 PolarHBondContact O-N 2.87Å; E431-K433 PolarHBondContact O-N 3.08Å; K433-P454 HydrophobicContact CB-CG 4.26Å; K433-R486 PolarHBondContact O-NH1 2.71Å; K433-P487 WeakPolarHBondContact CE-O 3.32Å; K433-V490 HydrophobicContact CG-CG2 3.69Å |
| 434 | G | 92.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 127.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L429 R432 | L429-G434 WeakPolarHBondContact O-CA 3.45Å; L429-G434 PolarHBondContact O-N 3.36Å; R432-G434 VanDerWaalsContact C-N 3.27Å; R432-G434 PolarHBondContact O-N 3.31Å |
| 435 | D | 93.9 | Very high | 89.5 | Confident | 49 Ų | 49 | 65 Ų | 65 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.5 | 171.5 | -71.9 | -12.4 | 0 | 0 | 0 | 110.2 | K437 Y451 V452 R486 | D435-K437 HydrophobicContact CB-CD 4.36Å; D435-K437 PolarHBondContact O-N 3.03Å; D435-K437 IonicContact OD2-NZ 3.76Å; D435-K437 PolarHBondContact OD2-NZ 3.01Å; D435-Y451 CarbonylContact O-C 3.59Å; D435-Y451 VanDerWaalsContact O-CA 3.23Å; D435-Y451 WeakPolarHBondContact O-CA 3.28Å; D435-V452 PolarHBondContact N-O 3.39Å; D435-V452 PolarHBondContact O-N 2.96Å; D435-R486 VanDerWaalsContact CG-NH1 3.35Å; D435-R486 VanDerWaalsContact CG-NH2 3.27Å; D435-R486 IonicContact OD1-CZ 3.53Å; D435-R486 IonicContact OD1-NH1 3.97Å; D435-R486 PolarHBondContact OD1-NH1 3.26Å; D435-R486 IonicContact OD1-NH2 2.69Å; D435-R486 PolarHBondContact OD1-NH2 2.85Å; D435-R486 IonicContact OD2-CZ 3.85Å; D435-R486 IonicContact OD2-NH1 3.82Å; D435-R486 IonicContact OD2-NH2 3.58Å; D435-R486 PolarHBondContact OD2-NH2 2.89Å |
| 436 | L | 96.2 | Very high | 89 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 122 | 168.6 | -177 | 73.7 | 0 | 0 | 0 | 109.2 | M426 N438 M439 L449 Y451 | M426-L436 HydrophobicContact CE-CD2 4.09Å; L436-N438 VanDerWaalsContact CD1-O 3.31Å; L436-N438 WeakPolarHBondContact CD1-O 3.44Å; L436-M439 HydrophobicContact CD2-CE 3.86Å; L436-L449 HydrophobicContact CD1-CB 4.37Å; L436-L449 HydrophobicContact CD1-CD2 4.3Å; L436-Y451 HydrophobicContact CB-CD1 4.36Å; L436-Y451 HydrophobicContact CB-CE1 3.83Å; L436-Y451 HydrophobicContact CB-CE2 4.34Å; L436-Y451 HydrophobicContact CD1-CD2 3.9Å; L436-Y451 HydrophobicContact CD1-CE1 4.41Å; L436-Y451 HydrophobicContact CD1-CE2 3.37Å; L436-Y451 HydrophobicContact CG-CE2 4.45Å |
| 437 | K | 93.6 | Very high | 88.7 | Confident | 125 Ų | 125 | 65 Ų | 65 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -35.6 | 176.5 | -60.2 | -53.5 | 179 | -171.7 | 0 | 112.4 | D435 D450 V452 | D435-K437 HydrophobicContact CB-CD 4.36Å; D435-K437 PolarHBondContact O-N 3.03Å; D435-K437 IonicContact OD2-NZ 3.76Å; D435-K437 PolarHBondContact OD2-NZ 3.01Å; K437-D450 PolarHBondContact N-O 2.89Å; K437-V452 HydrophobicContact CD-CG2 4.26Å; K437-V452 HydrophobicContact CG-CB 4.33Å; K437-V452 HydrophobicContact CG-CG2 3.64Å |
| 438 | N | 91.3 | Very high | 88.4 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.3 | 180 | -167.4 | 24.2 | 0 | 0 | 0 | 111.4 | L436 D450 | L436-N438 VanDerWaalsContact CD1-O 3.31Å; L436-N438 WeakPolarHBondContact CD1-O 3.44Å; N438-D450 HydrophobicContact CB-CB 3.98Å; N438-D450 PolarHBondContact N-O 3.18Å; N438-D450 PolarHBondContact O-N 3.39Å |
| 439 | M | 92.3 | Very high | 88.4 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 119.9 | 175.2 | 176.1 | -176.7 | -62 | 0 | 0 | 108.4 | Q422 M426 L436 V447 R448 L449 | Q422-M439 PolarHBondContact NE2-SD 2.91Å; M426-M439 HydrophobicContact CE-CE 3.66Å; M426-M439 HydrophobicContact SD-CE 3.41Å; M426-M439 WeakPolarHBondContact SD-CE 3.48Å; L436-M439 HydrophobicContact CD2-CE 3.86Å; M439-V447 HydrophobicContact CG-CG2 3.67Å; M439-V447 HydrophobicContact SD-CG2 4.46Å; M439-R448 CarbonylContact C-O 3.59Å; M439-R448 WeakPolarHBondContact CA-O 3.49Å; M439-L449 HydrophobicContact CB-CD2 4.16Å; M439-L449 HydrophobicContact CE-CD2 3.63Å; M439-L449 HydrophobicContact CG-CD2 3.72Å; M439-L449 HydrophobicContact SD-CD2 4.32Å |
| 440 | N | 87.8 | Confident | 88.4 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 101 | -178 | -165.5 | 8.9 | 0 | 0 | 0 | 111 | R448 | N440-R448 PolarHBondContact N-O 2.9Å; N440-R448 PolarHBondContact O-N 3.06Å |
| 441 | P | 87.6 | Confident | 88.6 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.6 | 171.5 | -17.7 | 32 | 0 | 0 | 0 | 111.6 | G443 V447 | P441-G443 VanDerWaalsContact C-N 3.31Å; P441-V447 HydrophobicContact CG-CG2 4.27Å |
| 442 | D | 77.3 | Confident | 88.7 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | trans | -82.9 | -7.8 | 179.3 | 75.9 | -11 | 0 | 0 | 0 | 113.7 | K444 G445 R446 | D442-K444 PolarHBondContact O-N 3.14Å; D442-K444 WeakPolarHBondContact OD1-CA 3.38Å; D442-K444 PolarHBondContact OD1-N 3.2Å; D442-G445 PolarHBondContact OD1-N 3.21Å; D442-G445 VanDerWaalsContact OD1-N 3.14Å; D442-R446 PolarHBondContact N-O 3.21Å; D442-R446 PolarHBondContact OD1-N 3.24Å; D442-R446 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 443 | G | 77.2 | Confident | 88.9 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 70.6 | 4.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P441 | P441-G443 VanDerWaalsContact C-N 3.31Š|
| 444 | K | 77.2 | Confident | 88.9 | Confident | 156 Ų | 156 | 52.2 Ų | 52.2 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -118.5 | 15.3 | -179.3 | -60.8 | 178.7 | -177.9 | 175.7 | 0 | 112.1 | D442 | D442-K444 PolarHBondContact O-N 3.14Å; D442-K444 WeakPolarHBondContact OD1-CA 3.38Å; D442-K444 PolarHBondContact OD1-N 3.2Å |
| 445 | G | 79.1 | Confident | 88.7 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 98.4 | 10.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E418 E419 D442 | E418-G445 WeakPolarHBondContact CA-O 3.5Å; E419-G445 PolarHBondContact N-O 2.89Å; D442-G445 PolarHBondContact OD1-N 3.21Å; D442-G445 VanDerWaalsContact OD1-N 3.14Å |
| 446 | R | 83.4 | Confident | 88.5 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 158.3 | 173.3 | -52.6 | -177.4 | 64.6 | 89.9 | 0.8 | 111.3 | D416 V417 E418 D442 T472 | D416-R446 PolarHBondContact O-NH2 3.05Å; D416-R446 VanDerWaalsContact O-NH2 3.16Å; D416-R446 IonicContact OD1-CZ 2.73Å; D416-R446 IonicContact OD1-NE 3.47Å; D416-R446 PolarHBondContact OD1-NE 3.47Å; D416-R446 IonicContact OD1-NH2 3.87Å; D416-R446 PolarHBondContact OD1-NH2 2.99Å; V417-R446 CarbonylContact O-C 3.43Å; V417-R446 VanDerWaalsContact O-CA 3.27Å; V417-R446 WeakPolarHBondContact O-CA 3.44Å; E418-R446 HydrophobicContact CG-CG 4.46Å; E418-R446 IonicContact OE1-NH1 2.69Å; D442-R446 PolarHBondContact N-O 3.21Å; D442-R446 PolarHBondContact OD1-N 3.24Å; D442-R446 WeakPolarHBondContact OD2-CB 3.48Å; R446-T472 PolarHBondContact NH1-O 3.37Å; R446-T472 PolarHBondContact NH2-O 2.85Å |
| 447 | V | 88.6 | Confident | 88 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.1 | 179.8 | 61.1 | 0 | 0 | 0 | 0 | 110 | V417 Q422 M439 P441 L449 | V417-V447 HydrophobicContact CG2-CG1 3.76Å; V417-V447 PolarHBondContact N-O 2.8Å; V417-V447 PolarHBondContact O-N 2.84Å; Q422-V447 HydrophobicContact CB-CG1 3.97Å; Q422-V447 HydrophobicContact CG-CG1 3.98Å; M439-V447 HydrophobicContact CG-CG2 3.67Å; M439-V447 HydrophobicContact SD-CG2 4.46Å; P441-V447 HydrophobicContact CG-CG2 4.27Å; V447-L449 HydrophobicContact CG2-CD2 3.95Å |
| 448 | R | 88.5 | Confident | 87.7 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.5 | 169.6 | -172.8 | 175.9 | -65.9 | 168.7 | 2 | 109.8 | T414 L415 M439 N440 | T414-R448 HydrophobicContact CG2-CG 3.78Å; L415-R448 CarbonylContact O-C 3.49Å; L415-R448 VanDerWaalsContact O-CA 3.24Å; L415-R448 WeakPolarHBondContact O-CA 3.46Å; M439-R448 CarbonylContact C-O 3.59Å; M439-R448 WeakPolarHBondContact CA-O 3.49Å; N440-R448 PolarHBondContact N-O 2.9Å; N440-R448 PolarHBondContact O-N 3.06Å |
| 449 | L | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.9 | 177.4 | -55.6 | 176.3 | 0 | 0 | 0 | 109.3 | T414 L415 V417 V425 M426 L436 M439 V447 Y451 | T414-L449 CarbonylContact C-O 3.49Å; T414-L449 WeakPolarHBondContact CA-O 3.39Å; L415-L449 HydrophobicContact CB-CB 4.38Å; L415-L449 HydrophobicContact CD1-CB 4.28Å; L415-L449 PolarHBondContact N-O 3.09Å; L415-L449 PolarHBondContact O-N 2.81Å; V417-L449 HydrophobicContact CG2-CD1 4.36Å; V425-L449 HydrophobicContact CG1-CD1 4.02Å; M426-L449 HydrophobicContact CG-CD1 3.98Å; L436-L449 HydrophobicContact CD1-CB 4.37Å; L436-L449 HydrophobicContact CD1-CD2 4.3Å; M439-L449 HydrophobicContact CB-CD2 4.16Å; M439-L449 HydrophobicContact CE-CD2 3.63Å; M439-L449 HydrophobicContact CG-CD2 3.72Å; M439-L449 HydrophobicContact SD-CD2 4.32Å; V447-L449 HydrophobicContact CG2-CD2 3.95Å; L449-Y451 HydrophobicContact CB-CD2 4.14Å; L449-Y451 HydrophobicContact CB-CE2 3.9Å; L449-Y451 HydrophobicContact CD1-CE2 4.38Å |
| 450 | D | 92.8 | Very high | 86.6 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.3 | 174.6 | -60.9 | -47.3 | 0 | 0 | 0 | 109.9 | V413 T414 K437 N438 | V413-D450 CarbonylContact O-C 3.59Å; V413-D450 WeakPolarHBondContact O-CA 3.41Å; T414-D450 WeakPolarHBondContact CB-OD1 3.44Å; T414-D450 WeakPolarHBondContact CG2-OD1 3.46Å; T414-D450 PolarHBondContact OG1-OD1 3.07Å; K437-D450 PolarHBondContact N-O 2.89Å; N438-D450 HydrophobicContact CB-CB 3.98Å; N438-D450 PolarHBondContact N-O 3.18Å; N438-D450 PolarHBondContact O-N 3.39Å |
| 451 | Y | 94.9 | Very high | 86.6 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.1 | -177.8 | -83.8 | -98.4 | 0 | 0 | 0 | 111.5 | N412 V413 L415 M426 L429 D435 L436 L449 | N412-Y451 CarbonylContact C-O 3.5Å; N412-Y451 WeakPolarHBondContact CA-O 3.37Å; V413-Y451 PolarHBondContact N-O 3.38Å; V413-Y451 PolarHBondContact O-N 3.21Å; L415-Y451 HydrophobicContact CD1-CD2 3.83Å; L415-Y451 HydrophobicContact CD1-CE2 4.47Å; M426-Y451 WeakPolarHBondContact CA-OH 3.37Å; M426-Y451 WeakPolarHBondContact CG-OH 3.3Å; L429-Y451 HydrophobicContact CB-CD1 4.01Å; L429-Y451 HydrophobicContact CB-CE1 3.68Å; L429-Y451 HydrophobicContact CB-CE2 4.44Å; L429-Y451 HydrophobicContact CD1-CD1 4.21Å; L429-Y451 HydrophobicContact CD1-CD2 3.56Å; L429-Y451 HydrophobicContact CD1-CE1 4.21Å; L429-Y451 HydrophobicContact CD1-CE2 3.53Å; L429-Y451 HydrophobicContact CD1-CG 3.91Å; D435-Y451 CarbonylContact O-C 3.59Å; D435-Y451 VanDerWaalsContact O-CA 3.23Å; D435-Y451 WeakPolarHBondContact O-CA 3.28Å; L436-Y451 HydrophobicContact CB-CD1 4.36Å; L436-Y451 HydrophobicContact CB-CE1 3.83Å; L436-Y451 HydrophobicContact CB-CE2 4.34Å; L436-Y451 HydrophobicContact CD1-CD2 3.9Å; L436-Y451 HydrophobicContact CD1-CE1 4.41Å; L436-Y451 HydrophobicContact CD1-CE2 3.37Å; L436-Y451 HydrophobicContact CG-CE2 4.45Å; L449-Y451 HydrophobicContact CB-CD2 4.14Å; L449-Y451 HydrophobicContact CB-CE2 3.9Å; L449-Y451 HydrophobicContact CD1-CE2 4.38Å |
| 452 | V | 94.1 | Very high | 86.3 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.7 | 160.3 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | Y410 E411 N412 D435 K437 | Y410-V452 HydrophobicContact CD1-CG1 3.93Å; E411-V452 WeakPolarHBondContact O-CA 3.39Å; N412-V452 WeakPolarHBondContact OD1-CG2 3.35Å; D435-V452 PolarHBondContact N-O 3.39Å; D435-V452 PolarHBondContact O-N 2.96Å; K437-V452 HydrophobicContact CD-CG2 4.26Å; K437-V452 HydrophobicContact CG-CB 4.33Å; K437-V452 HydrophobicContact CG-CG2 3.64Å |
| 453 | I | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.2 | -173.3 | -167.1 | 171 | 0 | 0 | 0 | 109.9 | Y410 E411 V413 L429 R432 S455 L458 | Y410-I453 WeakPolarHBondContact CA-O 3.48Å; E411-I453 PolarHBondContact N-O 3.3Å; E411-I453 PolarHBondContact O-N 2.9Å; V413-I453 HydrophobicContact CB-CG2 4.44Å; V413-I453 HydrophobicContact CG2-CG2 3.45Å; V413-I453 VanDerWaalsContact CG2-CG2 3.45Å; L429-I453 HydrophobicContact CD2-CD1 3.72Å; R432-I453 HydrophobicContact CB-CD1 3.87Å; I453-S455 PolarHBondContact O-N 3.03Å; I453-L458 HydrophobicContact CG2-CB 4.34Å; I453-L458 HydrophobicContact CG2-CD1 4.34Å |
| 454 | P | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 138.2 | 169.2 | 25.3 | -34.5 | 0 | 0 | 0 | 109.6 | E408 Y410 K433 R456 G457 L458 | E408-P454 HydrophobicContact CG-CB 4.2Å; Y410-P454 HydrophobicContact CD1-CB 4.34Å; Y410-P454 HydrophobicContact CE1-CB 4.14Å; Y410-P454 HydrophobicContact CE1-CG 4.41Å; K433-P454 HydrophobicContact CB-CG 4.26Å; P454-R456 PolarHBondContact O-N 3.34Å; P454-G457 WeakPolarHBondContact O-CA 3.45Å; P454-G457 PolarHBondContact O-N 3.07Å; P454-L458 PolarHBondContact O-N 2.81Å |
| 455 | S | 88.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.9 | -32.6 | 179.5 | -40.8 | 0 | 0 | 0 | 0 | 110.8 | P409 E411 I453 G457 L458 I459 | P409-S455 WeakPolarHBondContact CB-OG 3.45Å; P409-S455 WeakPolarHBondContact CG-OG 3.31Å; P409-S455 WeakPolarHBondContact O-CB 3.18Å; P409-S455 PolarHBondContact O-N 2.77Å; P409-S455 PolarHBondContact O-OG 3.31Å; E411-S455 WeakPolarHBondContact OE1-CB 3.32Å; E411-S455 PolarHBondContact OE1-OG 3.4Å; I453-S455 PolarHBondContact O-N 3.03Å; S455-G457 VanDerWaalsContact C-N 3.26Å; S455-G457 PolarHBondContact O-N 3.3Å; S455-L458 WeakPolarHBondContact O-CB 3.29Å; S455-L458 PolarHBondContact O-N 2.95Å; S455-I459 WeakPolarHBondContact O-CG1 3.11Å; S455-I459 PolarHBondContact O-N 2.82Å; S455-I459 VanDerWaalsContact O-N 3.13Å |
| 456 | R | 88.6 | Confident | 87.5 | Confident | 41 Ų | 41 | 27.8 Ų | 27.8 | 16% | 0.155 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56 | -37 | 173.2 | 179.7 | 172.1 | 55 | 100.3 | -4.5 | 113.4 | V397 E408 P454 R486 G488 | V397-R456 HydrophobicContact CG1-CB 3.97Å; V397-R456 HydrophobicContact CG2-CB 4.03Å; E408-R456 IonicContact OE1-CZ 3.13Å; E408-R456 IonicContact OE1-NE 2.79Å; E408-R456 IonicContact OE1-NH2 3.38Å; E408-R456 PolarHBondContact OE1-NH2 3.49Å; E408-R456 IonicContact OE2-CZ 3.78Å; E408-R456 IonicContact OE2-NE 2.81Å; E408-R456 PolarHBondContact OE2-NE 3.23Å; E408-R456 IonicContact OE2-NH2 2.9Å; E408-R456 PolarHBondContact OE2-NH2 2.95Å; P454-R456 PolarHBondContact O-N 3.34Å; R456-R486 PolarHBondContact NH2-O 3.19Å; R456-G488 PolarHBondContact NH1-O 3.07Å |
| 457 | G | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -78.1 | -23.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R432 P454 S455 V490 | R432-G457 VanDerWaalsContact CD-O 3.3Å; R432-G457 WeakPolarHBondContact CD-O 3.47Å; R432-G457 PolarHBondContact NH1-O 3.34Å; P454-G457 WeakPolarHBondContact O-CA 3.45Å; P454-G457 PolarHBondContact O-N 3.07Å; S455-G457 VanDerWaalsContact C-N 3.26Å; S455-G457 PolarHBondContact O-N 3.3Å; G457-V490 VanDerWaalsContact CA-CG1 3.49Å |
| 458 | L | 87.2 | Confident | 87.5 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -82.8 | -25.8 | -179.8 | -164.1 | 64.6 | 0 | 0 | 0 | 113.1 | E411 V413 I453 P454 S455 G460 F461 S477 | E411-L458 HydrophobicContact CB-CD2 4.42Å; V413-L458 HydrophobicContact CG2-CD1 3.98Å; V413-L458 HydrophobicContact CG2-CD2 3.92Å; I453-L458 HydrophobicContact CG2-CB 4.34Å; I453-L458 HydrophobicContact CG2-CD1 4.34Å; P454-L458 PolarHBondContact O-N 2.81Å; S455-L458 WeakPolarHBondContact O-CB 3.29Å; S455-L458 PolarHBondContact O-N 2.95Å; L458-G460 PolarHBondContact O-N 2.81Å; L458-F461 HydrophobicContact CD1-CB 4.31Å; L458-F461 HydrophobicContact CD1-CD1 3.96Å; L458-F461 VanDerWaalsContact O-CB 3.23Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 2.87Å; L458-S477 VanDerWaalsContact CD2-CB 3.46Å |
| 459 | I | 81.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 29.2 Ų | 29.2 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 124.9 | 175.4 | -66.6 | 168.8 | 0 | 0 | 0 | 110.1 | P395 V397 R432 S455 F461 | P395-I459 HydrophobicContact CG-CG2 4.14Å; V397-I459 HydrophobicContact CG1-CD1 4.1Å; R432-I459 PolarHBondContact NH1-O 2.9Å; S455-I459 WeakPolarHBondContact O-CG1 3.11Å; S455-I459 PolarHBondContact O-N 2.82Å; S455-I459 VanDerWaalsContact O-N 3.13Å; I459-F461 PolarHBondContact O-N 3.03Å |
| 460 | G | 78.7 | Confident | 87 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -1.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L458 | L458-G460 PolarHBondContact O-N 2.81Š|
| 461 | F | 86.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.2 | -25.5 | -178.9 | -176.8 | -114.9 | 0 | 0 | 0 | 112.4 | L415 A428 L429 L458 I459 E464 F465 L475 | L415-F461 HydrophobicContact CD2-CE1 4.03Å; A428-F461 HydrophobicContact CB-CE2 3.8Å; A428-F461 HydrophobicContact CB-CZ 4.48Å; L429-F461 HydrophobicContact CD1-CE1 4.37Å; L429-F461 HydrophobicContact CD1-CZ 4.39Å; L429-F461 HydrophobicContact CD2-CD1 3.99Å; L429-F461 HydrophobicContact CD2-CE1 3.5Å; L429-F461 VanDerWaalsContact CD2-CE1 3.5Å; L429-F461 HydrophobicContact CD2-CE2 4.49Å; L429-F461 HydrophobicContact CD2-CZ 3.78Å; L429-F461 HydrophobicContact CG-CE1 3.89Å; L429-F461 HydrophobicContact CG-CZ 3.72Å; L458-F461 HydrophobicContact CD1-CB 4.31Å; L458-F461 HydrophobicContact CD1-CD1 3.96Å; L458-F461 VanDerWaalsContact O-CB 3.23Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 2.87Å; I459-F461 PolarHBondContact O-N 3.03Å; F461-E464 HydrophobicContact CD2-CB 4.48Å; F461-E464 PolarHBondContact O-N 3.07Å; F461-F465 HydrophobicContact CD1-CB 4.39Å; F461-F465 HydrophobicContact CE1-CB 4.07Å; F461-F465 HydrophobicContact CE1-CD2 4.26Å; F461-F465 HydrophobicContact CE1-CG 4.46Å; F461-F465 HydrophobicContact CZ-CB 4.19Å; F461-F465 HydrophobicContact CZ-CD2 4.28Å; F461-F465 WeakPolarHBondContact O-CB 3.37Å; F461-F465 PolarHBondContact O-N 2.91Å; F461-L475 HydrophobicContact CD1-CD1 3.52Å; F461-L475 HydrophobicContact CE1-CD1 3.51Å |
| 462 | R | 81.9 | Confident | 85.4 | Confident | 93 Ų | 93 | 36 Ų | 36 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.5 | -46.3 | -176 | -169.9 | 179.4 | -71 | -82.3 | 1.4 | 111.7 | E464 F465 M466 L475 | R462-E464 VanDerWaalsContact C-N 3.34Å; R462-E464 PolarHBondContact O-N 3.23Å; R462-F465 PolarHBondContact O-N 3.46Å; R462-M466 WeakPolarHBondContact O-CG 3.37Å; R462-M466 PolarHBondContact O-N 3.1Å; R462-L475 PolarHBondContact NH1-O 2.78Å |
| 463 | S | 78 | Confident | 84.6 | Confident | 35 Ų | 35 | 35 Ų | 35 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.8 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | T467 E580 | S463-T467 PolarHBondContact O-N 3.43Å; S463-T467 VanDerWaalsContact O-N 3.14Å; S463-T467 PolarHBondContact O-OG1 2.95Å; S463-E580 WeakPolarHBondContact CB-OE2 3.44Å; S463-E580 PolarHBondContact N-OE2 3.33Å; S463-E580 VanDerWaalsContact N-OE2 3.07Å; S463-E580 PolarHBondContact OG-OE2 2.88Å |
| 464 | E | 84.6 | Confident | 83.9 | Confident | 77 Ų | 77 | 38.2 Ų | 38.2 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.2 | -173.6 | -177.4 | 170.6 | 0 | 0 | 110.9 | R432 F461 R462 T467 M468 | R432-E464 IonicContact CZ-OE2 3.47Å; R432-E464 IonicContact NE-OE2 3.48Å; R432-E464 PolarHBondContact NE-OE2 2.9Å; R432-E464 IonicContact NH2-OE2 3.84Å; R432-E464 PolarHBondContact NH2-OE2 2.92Å; F461-E464 HydrophobicContact CD2-CB 4.48Å; F461-E464 PolarHBondContact O-N 3.07Å; R462-E464 VanDerWaalsContact C-N 3.34Å; R462-E464 PolarHBondContact O-N 3.23Å; E464-T467 PolarHBondContact O-N 3.37Å; E464-M468 HydrophobicContact CG-CE 4.3Å; E464-M468 VanDerWaalsContact O-CB 3.31Å; E464-M468 WeakPolarHBondContact O-CB 3.44Å; E464-M468 PolarHBondContact O-N 2.92Å |
| 465 | F | 89 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 176.9 | 173.8 | -100.9 | 0 | 0 | 0 | 111.7 | L415 V417 V425 F461 R462 T467 M468 T469 G473 L474 L475 | L415-F465 HydrophobicContact CB-CE2 4.39Å; L415-F465 HydrophobicContact CD2-CD2 3.79Å; L415-F465 HydrophobicContact CD2-CE2 3.49Å; L415-F465 VanDerWaalsContact CD2-CE2 3.49Å; L415-F465 HydrophobicContact CD2-CZ 4.14Å; V417-F465 HydrophobicContact CG1-CE2 3.55Å; V417-F465 HydrophobicContact CG1-CZ 3.66Å; V425-F465 HydrophobicContact CG1-CD2 4.45Å; V425-F465 HydrophobicContact CG1-CE2 4.24Å; V425-F465 HydrophobicContact CG2-CD2 4.17Å; V425-F465 HydrophobicContact CG2-CE2 4.06Å; F461-F465 HydrophobicContact CD1-CB 4.39Å; F461-F465 HydrophobicContact CE1-CB 4.07Å; F461-F465 HydrophobicContact CE1-CD2 4.26Å; F461-F465 HydrophobicContact CE1-CG 4.46Å; F461-F465 HydrophobicContact CZ-CB 4.19Å; F461-F465 HydrophobicContact CZ-CD2 4.28Å; F461-F465 WeakPolarHBondContact O-CB 3.37Å; F461-F465 PolarHBondContact O-N 2.91Å; R462-F465 PolarHBondContact O-N 3.46Å; F465-T467 PolarHBondContact O-N 3.44Å; F465-M468 PolarHBondContact O-N 3.22Å; F465-M468 VanDerWaalsContact O-N 3.09Å; F465-T469 HydrophobicContact CD2-CG2 3.94Å; F465-T469 HydrophobicContact CE1-CG2 4.43Å; F465-T469 HydrophobicContact CE2-CG2 3.59Å; F465-T469 HydrophobicContact CZ-CG2 3.88Å; F465-T469 PolarHBondContact O-N 3.13Å; F465-T469 PolarHBondContact O-OG1 3.22Å; F465-G473 WeakPolarHBondContact CE1-O 3.41Å; F465-L474 WeakPolarHBondContact CZ-O 3.41Å; F465-L475 HydrophobicContact CB-CD1 4.17Å; F465-L475 HydrophobicContact CD1-CB 3.7Å; F465-L475 HydrophobicContact CD1-CD1 4.1Å; F465-L475 HydrophobicContact CD2-CD1 4.29Å; F465-L475 HydrophobicContact CE1-CB 3.55Å; F465-L475 HydrophobicContact CG-CB 4.33Å; F465-L475 HydrophobicContact CG-CD1 3.92Å; F465-L475 HydrophobicContact CZ-CB 4.06Å |
| 466 | M | 84.3 | Confident | 82.8 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -38.5 | 178.6 | -69.2 | -55.1 | -71.4 | 0 | 0 | 112 | R462 S470 G471 | R462-M466 WeakPolarHBondContact O-CG 3.37Å; R462-M466 PolarHBondContact O-N 3.1Å; M466-S470 PolarHBondContact O-N 3.34Å; M466-G471 PolarHBondContact O-N 3.48Å |
| 467 | T | 83.9 | Confident | 82.2 | Confident | 115 Ų | 115 | 38.4 Ų | 38.4 | 71% | 0.706 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69 | -44.2 | 176.2 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | S463 E464 F465 T469 S470 | S463-T467 PolarHBondContact O-N 3.43Å; S463-T467 VanDerWaalsContact O-N 3.14Å; S463-T467 PolarHBondContact O-OG1 2.95Å; E464-T467 PolarHBondContact O-N 3.37Å; F465-T467 PolarHBondContact O-N 3.44Å; T467-T469 VanDerWaalsContact C-N 3.34Å; T467-T469 PolarHBondContact O-N 3.05Å; T467-S470 PolarHBondContact O-N 3.15Å |
| 468 | M | 88.6 | Confident | 81.6 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 23% | 0.232 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | -178.4 | -175.3 | -175.6 | -58.3 | 0 | 0 | 112.7 | S424 V425 A428 E464 F465 S470 | S424-M468 VanDerWaalsContact CB-SD 3.57Å; V425-M468 HydrophobicContact CB-SD 4.39Å; V425-M468 HydrophobicContact CG2-SD 3.71Å; V425-M468 PolarHBondContact N-SD 3.37Å; A428-M468 HydrophobicContact CB-CE 3.77Å; E464-M468 HydrophobicContact CG-CE 4.3Å; E464-M468 VanDerWaalsContact O-CB 3.31Å; E464-M468 WeakPolarHBondContact O-CB 3.44Å; E464-M468 PolarHBondContact O-N 2.92Å; F465-M468 PolarHBondContact O-N 3.22Å; F465-M468 VanDerWaalsContact O-N 3.09Å; M468-S470 VanDerWaalsContact C-N 3.3Å |
| 469 | T | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 10.1 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | V417 H421 V425 F465 T467 G471 T472 G473 | V417-T469 HydrophobicContact CG1-CG2 3.89Å; H421-T469 HydrophobicContact CB-CG2 4.2Å; H421-T469 PolarHBondContact CE1-O 2.7Å; V425-T469 HydrophobicContact CG2-CG2 4.02Å; F465-T469 HydrophobicContact CD2-CG2 3.94Å; F465-T469 HydrophobicContact CE1-CG2 4.43Å; F465-T469 HydrophobicContact CE2-CG2 3.59Å; F465-T469 HydrophobicContact CZ-CG2 3.88Å; F465-T469 PolarHBondContact O-N 3.13Å; F465-T469 PolarHBondContact O-OG1 3.22Å; T467-T469 VanDerWaalsContact C-N 3.34Å; T467-T469 PolarHBondContact O-N 3.05Å; T469-G471 PolarHBondContact O-N 3.32Å; T469-T472 PolarHBondContact O-N 2.94Å; T469-T472 PolarHBondContact O-OG1 3.1Å; T469-T472 VanDerWaalsContact O-OG1 3.04Å; T469-G473 WeakPolarHBondContact OG1-CA 3.49Å; T469-G473 PolarHBondContact OG1-N 3.49Å; T469-G473 VanDerWaalsContact OG1-N 3.1Å |
| 470 | S | 82.6 | Confident | 81.3 | Confident | 98 Ų | 98 | 45 Ų | 45 | 69% | 0.685 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.1 | -175.5 | -54 | 0 | 0 | 0 | 0 | 113.6 | M466 T467 M468 T472 | M466-S470 PolarHBondContact O-N 3.34Å; T467-S470 PolarHBondContact O-N 3.15Å; M468-S470 VanDerWaalsContact C-N 3.3Å; S470-T472 VanDerWaalsContact C-N 3.34Å; S470-T472 PolarHBondContact O-N 3.27Å |
| 471 | G | 76.4 | Confident | 81.7 | Confident | 43 Ų | 43 | 48 Ų | 48 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -1.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | M466 T469 | M466-G471 PolarHBondContact O-N 3.48Å; T469-G471 PolarHBondContact O-N 3.32Å |
| 472 | T | 77.7 | Confident | 81.9 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -89.3 | -10.4 | -178 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | E418 R446 T469 S470 | E418-T472 PolarHBondContact OE1-OG1 2.86Å; E418-T472 PolarHBondContact OE2-OG1 2.82Å; R446-T472 PolarHBondContact NH1-O 3.37Å; R446-T472 PolarHBondContact NH2-O 2.85Å; T469-T472 PolarHBondContact O-N 2.94Å; T469-T472 PolarHBondContact O-OG1 3.1Å; T469-T472 VanDerWaalsContact O-OG1 3.04Å; S470-T472 VanDerWaalsContact C-N 3.34Å; S470-T472 PolarHBondContact O-N 3.27Å | ||
| 473 | G | 77.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -79.7 | 144.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D416 F465 T469 | D416-G473 WeakPolarHBondContact O-CA 3.44Å; F465-G473 WeakPolarHBondContact CE1-O 3.41Å; T469-G473 WeakPolarHBondContact OG1-CA 3.49Å; T469-G473 PolarHBondContact OG1-N 3.49Å; T469-G473 VanDerWaalsContact OG1-N 3.1Å | ||
| 474 | L | 79.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.1 | 170.9 | -53.2 | 173 | 0 | 0 | 0 | 108.8 | L415 D416 F465 Y476 | L415-L474 CarbonylContact C-O 3.51Å; L415-L474 VanDerWaalsContact CA-O 3.25Å; L415-L474 WeakPolarHBondContact CA-O 3.44Å; D416-L474 HydrophobicContact CB-CB 4.18Å; D416-L474 HydrophobicContact CB-CD1 4.46Å; D416-L474 PolarHBondContact N-O 3.45Å; D416-L474 PolarHBondContact O-N 2.71Å; F465-L474 WeakPolarHBondContact CZ-O 3.41Å; L474-Y476 HydrophobicContact CB-CE2 3.62Å |
| 475 | L | 82.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.3 | 179.4 | -177.5 | 158 | 0 | 0 | 0 | 110.6 | V413 L415 F461 R462 F465 | V413-L475 HydrophobicContact CG1-CD1 4.44Å; V413-L475 HydrophobicContact CG1-CD2 4.3Å; V413-L475 HydrophobicContact CG1-CG 4.06Å; L415-L475 HydrophobicContact CD2-CB 4.46Å; L415-L475 HydrophobicContact CD2-CD1 3.73Å; L415-L475 HydrophobicContact CD2-CG 4.1Å; L415-L475 HydrophobicContact CG-CD1 4.45Å; L415-L475 HydrophobicContact CG-CG 4.32Å; F461-L475 HydrophobicContact CD1-CD1 3.52Å; F461-L475 HydrophobicContact CE1-CD1 3.51Å; R462-L475 PolarHBondContact NH1-O 2.78Å; F465-L475 HydrophobicContact CB-CD1 4.17Å; F465-L475 HydrophobicContact CD1-CB 3.7Å; F465-L475 HydrophobicContact CD1-CD1 4.1Å; F465-L475 HydrophobicContact CD2-CD1 4.29Å; F465-L475 HydrophobicContact CE1-CB 3.55Å; F465-L475 HydrophobicContact CG-CB 4.33Å; F465-L475 HydrophobicContact CG-CD1 3.92Å; F465-L475 HydrophobicContact CZ-CB 4.06Å |
| 476 | Y | 75.3 | Confident | 83.3 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138 | -178.9 | -50.3 | -65.8 | 0 | 0 | 0 | 109.5 | P117 Q118 V413 T414 L474 | P117-Y476 HydrophobicContact CB-CD1 4.13Å; P117-Y476 HydrophobicContact CB-CD2 3.21Å; P117-Y476 HydrophobicContact CB-CE2 3.64Å; P117-Y476 HydrophobicContact CB-CG 3.4Å; P117-Y476 HydrophobicContact CG-CD2 3.27Å; P117-Y476 HydrophobicContact CG-CE2 3.25Å; P117-Y476 HydrophobicContact CG-CG 4.01Å; Q118-Y476 HydrophobicContact CG-CD1 3.75Å; Q118-Y476 HydrophobicContact CG-CE1 3.82Å; V413-Y476 CarbonylContact C-O 3.48Å; V413-Y476 WeakPolarHBondContact CA-O 3.46Å; V413-Y476 WeakPolarHBondContact CG1-O 3.48Å; T414-Y476 PolarHBondContact N-O 2.91Å; T414-Y476 WeakPolarHBondContact O-CD2 3.36Å; T414-Y476 PolarHBondContact O-N 2.77Å; L474-Y476 HydrophobicContact CB-CE2 3.62Å |
| 477 | S | 76.8 | Confident | 83.1 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.5 | 177.1 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | E411 N412 L458 | E411-S477 WeakPolarHBondContact OE2-CB 3.43Å; E411-S477 PolarHBondContact OE2-OG 3.39Å; N412-S477 CarbonylContact O-C 3.47Å; N412-S477 VanDerWaalsContact O-CA 3.3Å; N412-S477 WeakPolarHBondContact O-CA 3.19Å; L458-S477 VanDerWaalsContact CD2-CB 3.46Å |
| 478 | T | 73.8 | Confident | 82.5 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136.3 | 179.4 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | F121 E411 N412 S480 | F121-T478 HydrophobicContact CB-CG2 4.41Å; F121-T478 HydrophobicContact CD2-CG2 3.37Å; F121-T478 HydrophobicContact CE2-CG2 3.98Å; F121-T478 HydrophobicContact CG-CG2 4.19Å; E411-T478 CarbonylContact C-O 3.54Å; E411-T478 WeakPolarHBondContact CA-O 3.27Å; N412-T478 PolarHBondContact N-O 2.97Å; N412-T478 PolarHBondContact O-N 2.82Å; T478-S480 PolarHBondContact O-N 3.07Å |
| 479 | F | 80.4 | Confident | 81.5 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 132.8 | 173.7 | 175.7 | -97.1 | 0 | 0 | 0 | 111.3 | T316 P409 Y482 | T316-F479 HydrophobicContact CG2-CD2 4.15Å; T316-F479 HydrophobicContact CG2-CE2 4.37Å; P409-F479 HydrophobicContact CB-CD2 4.22Å; P409-F479 HydrophobicContact CB-CE2 3.86Å; F479-Y482 AromaticContact CE2-CD2 3.92Å; F479-Y482 HydrophobicContact CE2-CD2 3.92Å; F479-Y482 AromaticContact CE2-CE2 3.95Å; F479-Y482 HydrophobicContact CE2-CE2 3.95Å; F479-Y482 AromaticContact CZ-CD2 3.82Å; F479-Y482 HydrophobicContact CZ-CD2 3.82Å; F479-Y482 HydrophobicContact CZ-CE2 4.14Å |
| 480 | S | 82.5 | Confident | 80.9 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -65.3 | -177.4 | -170 | 0 | 0 | 0 | 0 | 110.6 | Y410 N412 T478 | Y410-S480 WeakPolarHBondContact O-CB 3.09Å; Y410-S480 PolarHBondContact O-N 3.25Å; N412-S480 PolarHBondContact ND2-OG 3.3Å; N412-S480 VanDerWaalsContact OD1-CB 3.31Å; N412-S480 WeakPolarHBondContact OD1-CB 3.35Å; N412-S480 PolarHBondContact OD1-OG 2.91Å; T478-S480 PolarHBondContact O-N 3.07Å |
| 481 | H | 87.4 | Confident | 79.9 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 171.3 | -176.9 | 55.5 | -72.5 | 0 | 0 | 0 | 110.4 | Y410 D483 | Y410-H481 PolarHBondContact N-O 3.29Å; H481-D483 IonicContact NE2-OD2 3.39Å |
| 482 | Y | 90.2 | Very high | 79.6 | Confident | 30 Ų | 30 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.1 | 162.7 | -90.2 | -99.3 | 0 | 0 | 0 | 109.2 | I398 R400 Q407 E408 P409 F479 | I398-Y482 WeakPolarHBondContact O-CE1 2.97Å; I398-Y482 PolarHBondContact O-OH 3.28Å; R400-Y482 HydrophobicContact CB-CD1 4.18Å; R400-Y482 HydrophobicContact CB-CE1 3.98Å; R400-Y482 HydrophobicContact CG-CD1 4.24Å; R400-Y482 HydrophobicContact CG-CE1 3.62Å; R400-Y482 PolarHBondContact NE-OH 3.13Å; Q407-Y482 HydrophobicContact CB-CD1 4.04Å; E408-Y482 WeakPolarHBondContact O-CA 3.26Å; P409-Y482 HydrophobicContact CB-CD2 4.48Å; P409-Y482 HydrophobicContact CB-CE1 4.22Å; P409-Y482 HydrophobicContact CB-CE2 4.01Å; P409-Y482 HydrophobicContact CG-CE1 4.37Å; F479-Y482 AromaticContact CE2-CD2 3.92Å; F479-Y482 HydrophobicContact CE2-CD2 3.92Å; F479-Y482 AromaticContact CE2-CE2 3.95Å; F479-Y482 HydrophobicContact CE2-CE2 3.95Å; F479-Y482 AromaticContact CZ-CD2 3.82Å; F479-Y482 HydrophobicContact CZ-CD2 3.82Å; F479-Y482 HydrophobicContact CZ-CE2 4.14Å |
| 483 | D | 92.9 | Very high | 79.7 | Confident | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 168.9 | 174 | -154.5 | -11.2 | 0 | 0 | 0 | 110.2 | Q407 E408 Y410 H481 | Q407-D483 CarbonylContact C-O 3.6Å; Q407-D483 WeakPolarHBondContact CA-O 3.36Å; Q407-D483 VanDerWaalsContact CB-O 3.27Å; Q407-D483 WeakPolarHBondContact CB-O 3.22Å; E408-D483 PolarHBondContact N-O 2.98Å; E408-D483 PolarHBondContact O-N 2.77Å; E408-D483 VanDerWaalsContact O-N 3.12Å; Y410-D483 HydrophobicContact CD2-CB 3.8Å; Y410-D483 HydrophobicContact CE2-CB 3.59Å; H481-D483 IonicContact NE2-OD2 3.39Å |
| 484 | D | 92.5 | Very high | 79.9 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 138.5 | -178.3 | -67.6 | -16.8 | 0 | 0 | 0 | 111.2 | R405 Q407 Y410 R486 | R405-D484 WeakPolarHBondContact CD-OD1 3.48Å; R405-D484 IonicContact NH1-OD2 2.81Å; R405-D484 PolarHBondContact NH1-OD2 2.9Å; R405-D484 VanDerWaalsContact NH1-OD2 3.13Å; Q407-D484 PolarHBondContact NE2-OD1 2.83Å; Y410-D484 PolarHBondContact OH-O 3.04Å; D484-R486 PolarHBondContact O-N 2.7Å |
| 485 | V | 91.1 | Very high | 80.4 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.4 | -176.3 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F399 K406 E408 | F399-V485 HydrophobicContact CD1-CG2 3.65Å; F399-V485 HydrophobicContact CE1-CG1 4.31Å; F399-V485 HydrophobicContact CE1-CG2 3.58Å; K406-V485 HydrophobicContact CB-CG2 4.49Å; K406-V485 HydrophobicContact CG-CG2 4.07Å; K406-V485 WeakPolarHBondContact O-CG2 3.33Å; K406-V485 PolarHBondContact O-N 2.68Å; E408-V485 HydrophobicContact CB-CG2 3.98Å; E408-V485 HydrophobicContact CG-CG2 4.09Å; E408-V485 WeakPolarHBondContact OE1-CA 3.34Å |
| 486 | R | 86.6 | Confident | 80.9 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 133.1 | 176.1 | -92.6 | 175.1 | -174.3 | -141.7 | -7.5 | 111.6 | E408 Y410 K433 D435 R456 D484 | E408-R486 PolarHBondContact OE1-N 3.28Å; Y410-R486 WeakPolarHBondContact OH-CD 3.3Å; Y410-R486 VanDerWaalsContact OH-CG 3.25Å; Y410-R486 WeakPolarHBondContact OH-CG 3.06Å; Y410-R486 PolarHBondContact OH-NE 2.9Å; K433-R486 PolarHBondContact O-NH1 2.71Å; D435-R486 VanDerWaalsContact CG-NH1 3.35Å; D435-R486 VanDerWaalsContact CG-NH2 3.27Å; D435-R486 IonicContact OD1-CZ 3.53Å; D435-R486 IonicContact OD1-NH1 3.97Å; D435-R486 PolarHBondContact OD1-NH1 3.26Å; D435-R486 IonicContact OD1-NH2 2.69Å; D435-R486 PolarHBondContact OD1-NH2 2.85Å; D435-R486 IonicContact OD2-CZ 3.85Å; D435-R486 IonicContact OD2-NH1 3.82Å; D435-R486 IonicContact OD2-NH2 3.58Å; D435-R486 PolarHBondContact OD2-NH2 2.89Å; R456-R486 PolarHBondContact NH2-O 3.19Å; D484-R486 PolarHBondContact O-N 2.7Å |
| 487 | P | 79.4 | Confident | 81.9 | Confident | 113 Ų | 113 | 61 Ų | 61 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -64.9 | 142.4 | 177.8 | 27.2 | -33.9 | 0 | 0 | 0 | 111.3 | K433 | K433-P487 WeakPolarHBondContact CE-O 3.32Š|
| 488 | G | 72 | Confident | 82.9 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 114.9 | 145 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | R456 | R456-G488 PolarHBondContact NH1-O 3.07Š|
| 489 | E | 68.7 | Low | 84 | Confident | 152 Ų | 152 | 58.5 Ų | 58.5 | 71% | 0.71 | 31% | 0.308 | S | S | * | . | trans | -76.7 | 129.4 | 171 | -64.8 | -173.2 | 165 | 0 | 0 | 108.9 | Q492 | E489-Q492 PolarHBondContact OE2-NE2 3.18Š| ||
| 490 | V | 73.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -128.3 | 139.6 | 177.7 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | R432 K433 G457 | R432-V490 HydrophobicContact CB-CG1 3.93Å; R432-V490 HydrophobicContact CG-CG1 3.94Å; K433-V490 HydrophobicContact CG-CG2 3.69Å; G457-V490 VanDerWaalsContact CA-CG1 3.49Å | ||
| 491 | G | 61.6 | Low | 85.5 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | trans | 97.9 | -0.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R394 R493 | R394-G491 PolarHBondContact NH1-O 3.26Å; R394-G491 VanDerWaalsContact NH1-O 3.1Å; R394-G491 PolarHBondContact NH2-O 3.06Å; G491-R493 PolarHBondContact O-N 3.42Å | ||
| 492 | Q | 69.9 | Low | 85.8 | Confident | 117 Ų | 117 | 52 Ų | 52 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | trans | -68 | 136.1 | 172.7 | -72.5 | 176 | 20.1 | 0 | 0 | 110.7 | E489 | E489-Q492 PolarHBondContact OE2-NE2 3.18Š| ||
| 493 | R | 80.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 18% | 0.181 | 30% | 0.299 | C | S | . | . | trans | -68.2 | 133 | 175.8 | -173 | -179.1 | 61.3 | -140.5 | -14.3 | 109.4 | G491 N495 V497 F581 D583 E586 | G491-R493 PolarHBondContact O-N 3.42Å; R493-N495 PolarHBondContact NE-O 3.38Å; R493-V497 VanDerWaalsContact CZ-CG1 3.48Å; R493-V497 VanDerWaalsContact NH2-CG1 3.27Å; R493-F581 VanDerWaalsContact CD-CE2 3.4Å; R493-F581 PolarHBondContact NH1-O 3.11Å; R493-D583 IonicContact CZ-OD2 2.73Å; R493-D583 IonicContact NE-OD2 3.25Å; R493-D583 IonicContact NH2-OD2 3.38Å; R493-D583 PolarHBondContact NH2-OD2 2.96Å; R493-D583 VanDerWaalsContact NH2-OD2 3.16Å; R493-E586 IonicContact CZ-OE1 3.33Å; R493-E586 IonicContact CZ-OE2 3.16Å; R493-E586 IonicContact NH1-OE1 3.55Å; R493-E586 IonicContact NH1-OE2 3.15Å; R493-E586 PolarHBondContact NH1-OE2 2.88Å; R493-E586 IonicContact NH2-OE1 3.34Å; R493-E586 PolarHBondContact NH2-OE1 2.73Å; R493-E586 IonicContact NH2-OE2 3.81Å; R493-E586 PolarHBondContact NH2-OE2 3.25Å | ||
| 494 | Q | 82.4 | Confident | 86.2 | Confident | 158 Ų | 158 | 53.3 Ų | 53.3 | 74% | 0.738 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.9 | -32.4 | 179.4 | -68.8 | -65 | -25.3 | 0 | 0 | 113 | S540 | Q494-S540 WeakPolarHBondContact O-CA 3.2Å; Q494-S540 WeakPolarHBondContact O-CB 3.49Å |
| 495 | N | 88.6 | Confident | 86.3 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -88.3 | 143 | -180 | -65.6 | 93.2 | 0 | 0 | 0 | 111.3 | R493 I536 H537 | R493-N495 PolarHBondContact NE-O 3.38Å; N495-I536 HydrophobicContact CB-CG2 3.51Å; N495-H537 WeakPolarHBondContact CB-O 3.29Å; N495-H537 PolarHBondContact ND2-O 2.95Å |
| 496 | G | 93.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | trans | -79.3 | 179.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H537 R539 S540 D542 | G496-H537 WeakPolarHBondContact O-CB 3.22Å; G496-H537 PolarHBondContact O-N 3.19Å; G496-R539 PolarHBondContact N-O 2.87Å; G496-S540 WeakPolarHBondContact CA-O 3.44Å; G496-S540 PolarHBondContact N-O 2.94Å; G496-D542 VanDerWaalsContact CA-OD1 3.29Å; G496-D542 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 497 | V | 96.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 151.4 | -179.6 | -76.4 | 0 | 0 | 0 | 0 | 113.5 | R493 I499 I533 D542 L543 F581 | R493-V497 VanDerWaalsContact CZ-CG1 3.48Å; R493-V497 VanDerWaalsContact NH2-CG1 3.27Å; V497-I499 HydrophobicContact CB-CG1 4.43Å; V497-I499 HydrophobicContact CG2-CD1 3.98Å; V497-I499 HydrophobicContact CG2-CG1 3.76Å; V497-I533 HydrophobicContact CB-CD1 4.1Å; V497-I533 HydrophobicContact CB-CG1 4.05Å; V497-I533 HydrophobicContact CB-CG2 3.82Å; V497-I533 HydrophobicContact CG1-CD1 3.92Å; V497-I533 HydrophobicContact CG1-CG1 4.29Å; V497-I533 HydrophobicContact CG1-CG2 3.73Å; V497-I533 HydrophobicContact CG2-CD1 3.95Å; V497-I533 HydrophobicContact CG2-CG1 4.06Å; V497-D542 HydrophobicContact CG2-CB 4.36Å; V497-D542 WeakPolarHBondContact CG2-OD1 3.25Å; V497-D542 PolarHBondContact N-OD1 3.35Å; V497-L543 PolarHBondContact O-N 3.42Å; V497-F581 HydrophobicContact CG1-CE1 3.96Å; V497-F581 HydrophobicContact CG1-CZ 3.71Å |
| 498 | L | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 116.7 | 166.7 | -58.7 | -179.1 | 0 | 0 | 0 | 108.5 | L520 I533 I534 G535 H537 L543 V545 | L498-L520 HydrophobicContact CD1-CD2 4.02Å; L498-I533 CarbonylContact O-C 3.51Å; L498-I533 WeakPolarHBondContact O-CA 3.31Å; L498-I534 HydrophobicContact CB-CG1 3.95Å; L498-I534 WeakPolarHBondContact O-CG1 3.39Å; L498-I534 PolarHBondContact O-N 3.11Å; L498-G535 PolarHBondContact N-O 3.45Å; L498-H537 HydrophobicContact CD2-CB 3.96Å; L498-H537 HydrophobicContact CG-CB 4.38Å; L498-L543 WeakPolarHBondContact CA-O 3.38Å; L498-L543 HydrophobicContact CD2-CB 4.15Å; L498-L543 HydrophobicContact CD2-CD2 4.34Å; L498-V545 HydrophobicContact CB-CG2 4.24Å; L498-V545 HydrophobicContact CD2-CG1 4.43Å |
| 499 | I | 97.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | -174 | -53.2 | 161.2 | 0 | 0 | 0 | 109 | V497 I533 D542 L543 T544 V545 K599 | V497-I499 HydrophobicContact CB-CG1 4.43Å; V497-I499 HydrophobicContact CG2-CD1 3.98Å; V497-I499 HydrophobicContact CG2-CG1 3.76Å; I499-I533 HydrophobicContact CG1-CG1 4.28Å; I499-D542 HydrophobicContact CD1-CB 4.1Å; I499-L543 PolarHBondContact N-O 2.81Å; I499-T544 CarbonylContact O-C 3.49Å; I499-T544 VanDerWaalsContact O-CA 3.31Å; I499-T544 WeakPolarHBondContact O-CA 3.36Å; I499-V545 PolarHBondContact O-N 3.46Å; I499-K599 HydrophobicContact CD1-CD 4.41Å; I499-K599 HydrophobicContact CD1-CG 3.87Å; I499-K599 HydrophobicContact CG1-CG 4.29Å |
| 500 | S | 97.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 138.4 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | G502 Y529 G531 Q532 | S500-G502 PolarHBondContact OG-N 3.01Å; S500-G502 PolarHBondContact OG-O 2.8Å; S500-Y529 VanDerWaalsContact CB-O 3.27Å; S500-Y529 WeakPolarHBondContact CB-O 3.27Å; S500-Y529 PolarHBondContact OG-O 2.73Å; S500-G531 PolarHBondContact O-N 3.47Å; S500-Q532 PolarHBondContact N-O 3.5Å |
| 501 | N | 96.2 | Very high | 90.5 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -91.4 | 0 | 177.7 | 81.5 | -33.5 | 0 | 0 | 0 | 114.3 | T544 V545 N546 | N501-T544 HydrophobicContact CB-CG2 3.64Å; N501-V545 PolarHBondContact N-O 2.8Å; N501-V545 PolarHBondContact OD1-O 2.84Å; N501-N546 PolarHBondContact ND2-ND2 2.88Å; N501-N546 VanDerWaalsContact OD1-CA 3.25Å; N501-N546 WeakPolarHBondContact OD1-CA 3.24Å; N501-N546 WeakPolarHBondContact OD1-CB 3.49Å; N501-N546 VanDerWaalsContact OD1-CG 3.29Å |
| 502 | G | 94.7 | Very high | 92 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -169.9 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S500 Y529 E530 | S500-G502 PolarHBondContact OG-N 3.01Å; S500-G502 PolarHBondContact OG-O 2.8Å; G502-Y529 CarbonylContact O-C 3.59Å; G502-Y529 WeakPolarHBondContact O-CA 3.47Å; G502-E530 PolarHBondContact O-N 3.16Å |
| 503 | Q | 95.5 | Very high | 93 | Very high | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | trans | -104 | 133.6 | 179 | -173.6 | 178.3 | -28.6 | 0 | 0 | 113 | P327 F328 V528 L548 | P327-Q503 VanDerWaalsContact CB-OE1 3.28Å; F328-Q503 HydrophobicContact CE1-CG 4.23Å; Q503-V528 CarbonylContact C-O 3.38Å; Q503-V528 WeakPolarHBondContact CA-O 3.23Å; Q503-V528 VanDerWaalsContact CG-O 3.32Å; Q503-V528 WeakPolarHBondContact CG-O 3.19Å; Q503-L548 WeakPolarHBondContact O-CD1 3.41Å | ||
| 504 | G | 94.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -169.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V528 L548 | G504-V528 PolarHBondContact N-O 2.9Å; G504-V528 PolarHBondContact O-N 2.77Å; G504-L548 VanDerWaalsContact C-CD2 3.44Å; G504-L548 WeakPolarHBondContact O-CD2 3.32Å |
| 505 | K | 95.7 | Very high | 94.2 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.3 | 177.8 | -66.5 | -174.4 | 178.4 | -176.2 | 0 | 112 | V507 A526 E527 L548 | K505-V507 PolarHBondContact O-N 2.79Å; K505-A526 CarbonylContact C-O 3.53Å; K505-A526 WeakPolarHBondContact CA-O 3.46Å; K505-E527 WeakPolarHBondContact CE-OE1 3.43Å; K505-E527 HydrophobicContact CG-CG 4.3Å; K505-E527 WeakPolarHBondContact CG-OE1 3.21Å; K505-E527 IonicContact NZ-OE1 2.88Å; K505-L548 WeakPolarHBondContact O-CD2 3.4Å |
| 506 | A | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 125.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L511 L522 H524 G525 A526 V528 C547 | A506-L511 HydrophobicContact CB-CD1 3.97Å; A506-L511 HydrophobicContact CB-CD2 4.23Å; A506-L511 HydrophobicContact CB-CG 4.27Å; A506-L522 HydrophobicContact CB-CD1 3.55Å; A506-H524 PolarHBondContact O-ND1 2.9Å; A506-G525 PolarHBondContact O-N 2.53Å; A506-A526 PolarHBondContact N-O 2.71Å; A506-V528 HydrophobicContact CB-CG2 4.28Å; A506-C547 WeakPolarHBondContact CA-O 3.29Å; A506-C547 HydrophobicContact CB-CB 4.47Å |
| 507 | V | 94.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -99.6 | 137.8 | -178 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | K505 F509 A510 L511 H524 C547 T549 | K505-V507 PolarHBondContact O-N 2.79Å; V507-F509 PolarHBondContact O-N 2.87Å; V507-A510 HydrophobicContact CG2-CB 3.61Å; V507-A510 PolarHBondContact O-N 3.33Å; V507-L511 PolarHBondContact O-N 3.34Å; V507-H524 WeakPolarHBondContact CA-ND1 3.3Å; V507-C547 PolarHBondContact N-O 3.49Å; V507-T549 VanDerWaalsContact CG2-O 3.32Å; V507-T549 WeakPolarHBondContact CG2-O 3.45Å |
| 508 | A | 92.7 | Very high | 94 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -38.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A510 L511 F512 H524 V565 L567 | A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 3.19Å; A508-L511 PolarHBondContact O-N 2.87Å; A508-F512 WeakPolarHBondContact O-CB 3.45Å; A508-F512 PolarHBondContact O-N 2.8Å; A508-H524 HydrophobicContact CB-CB 4.11Å; A508-H524 PolarHBondContact N-ND1 2.81Å; A508-V565 HydrophobicContact CB-CG1 4.2Å; A508-L567 HydrophobicContact CB-CD1 4.14Å |
| 509 | F | 91 | Very high | 93.9 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 45% | 0.452 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 176.5 | 179.7 | -100.1 | 0 | 0 | 0 | 113.2 | V507 K551 | V507-F509 PolarHBondContact O-N 2.87Å; F509-K551 HydrophobicContact CD1-CB 4.18Å; F509-K551 HydrophobicContact CD2-CB 3.81Å; F509-K551 HydrophobicContact CD2-CD 4.34Å; F509-K551 HydrophobicContact CD2-CG 4.14Å; F509-K551 HydrophobicContact CE1-CB 4.33Å; F509-K551 HydrophobicContact CE2-CB 3.98Å; F509-K551 HydrophobicContact CE2-CD 4.28Å; F509-K551 HydrophobicContact CE2-CG 3.9Å; F509-K551 HydrophobicContact CG-CB 3.91Å; F509-K551 HydrophobicContact CZ-CB 4.24Å; F509-K551 HydrophobicContact CZ-CG 4.25Å |
| 510 | A | 92.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.3 | -45.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V507 A508 F512 G513 L514 C547 | V507-A510 HydrophobicContact CG2-CB 3.61Å; V507-A510 PolarHBondContact O-N 3.33Å; A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 3.19Å; A510-F512 PolarHBondContact O-N 3.31Å; A510-G513 PolarHBondContact O-N 3.05Å; A510-L514 VanDerWaalsContact O-CG 3.32Å; A510-L514 WeakPolarHBondContact O-CG 3.44Å; A510-L514 PolarHBondContact O-N 2.67Å; A510-C547 WeakPolarHBondContact CB-O 3.36Å |
| 511 | L | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 179 | -64.6 | -179 | 0 | 0 | 0 | 112.4 | A506 V507 A508 G513 L514 Q515 L520 L522 G523 C547 L567 | A506-L511 HydrophobicContact CB-CD1 3.97Å; A506-L511 HydrophobicContact CB-CD2 4.23Å; A506-L511 HydrophobicContact CB-CG 4.27Å; V507-L511 PolarHBondContact O-N 3.34Å; A508-L511 PolarHBondContact O-N 2.87Å; L511-G513 VanDerWaalsContact C-N 3.34Å; L511-G513 PolarHBondContact O-N 3.16Å; L511-L514 PolarHBondContact O-N 2.81Å; L511-Q515 PolarHBondContact O-N 3.48Å; L511-L520 HydrophobicContact CB-CD1 4.01Å; L511-L520 HydrophobicContact CD2-CD1 4.21Å; L511-L522 HydrophobicContact CD1-CD1 4.23Å; L511-L522 HydrophobicContact CD2-CD1 3.87Å; L511-G523 VanDerWaalsContact CD1-C 3.42Å; L511-C547 HydrophobicContact CD2-CB 3.93Å; L511-L567 HydrophobicContact CB-CD1 4.16Å; L511-L567 HydrophobicContact CB-CD2 3.78Å; L511-L567 HydrophobicContact CD1-CD1 4.06Å |
| 512 | F | 92.9 | Very high | 93.8 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 38% | 0.382 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.1 | -174.8 | -103 | 0 | 0 | 0 | 113.1 | A508 A510 L514 Q515 V565 V566 L567 | A508-F512 WeakPolarHBondContact O-CB 3.45Å; A508-F512 PolarHBondContact O-N 2.8Å; A510-F512 PolarHBondContact O-N 3.31Å; F512-L514 VanDerWaalsContact C-N 3.31Å; F512-Q515 WeakPolarHBondContact O-CG 3.43Å; F512-V565 HydrophobicContact CB-CG1 3.49Å; F512-V565 VanDerWaalsContact CB-CG1 3.49Å; F512-V565 HydrophobicContact CD2-CG1 3.61Å; F512-V565 HydrophobicContact CG-CG1 3.69Å; F512-V566 WeakPolarHBondContact CD2-O 3.23Å; F512-L567 HydrophobicContact CB-CD2 4.09Å |
| 513 | G | 91.1 | Very high | 93.7 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.9 | -18 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A510 L511 | A510-G513 PolarHBondContact O-N 3.05Å; L511-G513 VanDerWaalsContact C-N 3.34Å; L511-G513 PolarHBondContact O-N 3.16Å |
| 514 | L | 93.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -86.2 | -29.7 | -179.9 | -66.6 | 177.2 | 0 | 0 | 0 | 112.7 | A510 L511 F512 D516 R517 G518 L520 I534 V545 C547 | A510-L514 VanDerWaalsContact O-CG 3.32Å; A510-L514 WeakPolarHBondContact O-CG 3.44Å; A510-L514 PolarHBondContact O-N 2.67Å; L511-L514 PolarHBondContact O-N 2.81Å; F512-L514 VanDerWaalsContact C-N 3.31Å; L514-D516 PolarHBondContact O-N 3Å; L514-R517 WeakPolarHBondContact O-CB 2.76Å; L514-R517 PolarHBondContact O-N 3.4Å; L514-G518 PolarHBondContact O-N 3.14Å; L514-L520 HydrophobicContact CB-CD2 4.13Å; L514-I534 HydrophobicContact CD1-CD1 4.1Å; L514-V545 HydrophobicContact CD1-CB 4.26Å; L514-V545 HydrophobicContact CD1-CG2 3.93Å; L514-V545 HydrophobicContact CD2-CB 3.66Å; L514-V545 HydrophobicContact CD2-CG1 3.77Å; L514-V545 HydrophobicContact CD2-CG2 4.01Å; L514-C547 HydrophobicContact CD1-CB 4.05Å |
| 515 | Q | 93.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -23 | 178.4 | 80.5 | -166.5 | 10.7 | 0 | 0 | 112.8 | L511 F512 R517 G518 L520 V566 | L511-Q515 PolarHBondContact O-N 3.48Å; F512-Q515 WeakPolarHBondContact O-CG 3.43Å; Q515-R517 PolarHBondContact O-N 2.79Å; Q515-G518 CarbonylContact C-O 3.46Å; Q515-G518 WeakPolarHBondContact CA-O 3.47Å; Q515-G518 PolarHBondContact O-N 2.91Å; Q515-L520 HydrophobicContact CB-CD1 3.91Å; Q515-L520 HydrophobicContact CB-CG 4.3Å; Q515-V566 PolarHBondContact NE2-O 3.23Å |
| 516 | D | 91.8 | Very high | 93.5 | Very high | 131 Ų | 131 | 48.9 Ų | 48.9 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.9 | 171.8 | -67.1 | -15.8 | 0 | 0 | 0 | 112.7 | L514 | L514-D516 PolarHBondContact O-N 3Š|
| 517 | R | 91.6 | Very high | 93.6 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11.7 | -179.2 | -57.6 | -175.6 | -175.4 | -166.7 | -1.6 | 112.5 | L514 Q515 H537 S538 | L514-R517 WeakPolarHBondContact O-CB 2.76Å; L514-R517 PolarHBondContact O-N 3.4Å; Q515-R517 PolarHBondContact O-N 2.79Å; R517-H537 PolarHBondContact O-CD2 3Å; R517-S538 VanDerWaalsContact O-CB 3.26Å; R517-S538 WeakPolarHBondContact O-CB 3.22Å; R517-S538 PolarHBondContact O-N 3.49Å; R517-S538 PolarHBondContact O-OG 3.45Å |
| 518 | G | 92.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L514 Q515 I536 | L514-G518 PolarHBondContact O-N 3.14Å; Q515-G518 CarbonylContact C-O 3.46Å; Q515-G518 WeakPolarHBondContact CA-O 3.47Å; Q515-G518 PolarHBondContact O-N 2.91Å; G518-I536 CarbonylContact C-O 3.47Å; G518-I536 WeakPolarHBondContact CA-O 3.47Å |
| 519 | K | 94.6 | Very high | 93.9 | Very high | 144 Ų | 144 | 50.6 Ų | 50.6 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.2 | 178.8 | -55.9 | -178.3 | -172.4 | 175.5 | 0 | 109.6 | G535 I536 I571 | K519-G535 CarbonylContact O-C 3.49Å; K519-G535 WeakPolarHBondContact O-CA 3.34Å; K519-I536 PolarHBondContact N-O 3.36Å; K519-I536 PolarHBondContact O-N 2.88Å; K519-I571 HydrophobicContact CB-CD1 3.63Å; K519-I571 HydrophobicContact CD-CD1 3.76Å; K519-I571 HydrophobicContact CG-CD1 4.31Å |
| 520 | L | 96.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 147.5 | -174.8 | -58 | 177 | 0 | 0 | 0 | 112.3 | L498 L511 L514 Q515 P570 I571 | L498-L520 HydrophobicContact CD1-CD2 4.02Å; L511-L520 HydrophobicContact CB-CD1 4.01Å; L511-L520 HydrophobicContact CD2-CD1 4.21Å; L514-L520 HydrophobicContact CB-CD2 4.13Å; Q515-L520 HydrophobicContact CB-CD1 3.91Å; Q515-L520 HydrophobicContact CB-CG 4.3Å; L520-P570 CarbonylContact O-C 3.55Å; L520-P570 WeakPolarHBondContact O-CA 3.45Å; L520-I571 PolarHBondContact O-N 2.88Å |
| 521 | F | 96.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -95.8 | -16.3 | 176.3 | -63.7 | -30.4 | 0 | 0 | 0 | 114 | I533 I534 I536 I571 M573 F581 | F521-I533 HydrophobicContact CD2-CG2 4Å; F521-I533 HydrophobicContact CE2-CG2 3.64Å; F521-I534 PolarHBondContact N-O 3.41Å; F521-I536 HydrophobicContact CE1-CD1 3.96Å; F521-I536 HydrophobicContact CE1-CG1 3.67Å; F521-I536 HydrophobicContact CE2-CG1 4.41Å; F521-I536 HydrophobicContact CZ-CD1 3.96Å; F521-I536 HydrophobicContact CZ-CG1 3.39Å; F521-I571 HydrophobicContact CD1-CB 4.04Å; F521-I571 HydrophobicContact CE1-CB 4.33Å; F521-M573 HydrophobicContact CD1-CE 4.38Å; F521-M573 HydrophobicContact CD1-SD 4.31Å; F521-M573 HydrophobicContact CE1-CE 3.36Å; F521-M573 HydrophobicContact CE1-CG 4.47Å; F521-M573 HydrophobicContact CE1-SD 3.74Å; F521-M573 HydrophobicContact CE2-CE 4.37Å; F521-M573 HydrophobicContact CE2-SD 4.19Å; F521-M573 HydrophobicContact CZ-CE 3.34Å; F521-M573 HydrophobicContact CZ-SD 3.66Å; F521-F581 AromaticContact CE2-CE1 3.85Å; F521-F581 HydrophobicContact CE2-CE1 3.85Å; F521-F581 AromaticContact CE2-CZ 3.98Å; F521-F581 HydrophobicContact CE2-CZ 3.98Å; F521-F581 AromaticContact CZ-CE1 3.86Å; F521-F581 HydrophobicContact CZ-CE1 3.86Å; F521-F581 HydrophobicContact CZ-CE2 4.13Å; F521-F581 AromaticContact CZ-CZ 3.64Å; F521-F581 HydrophobicContact CZ-CZ 3.64Å |
| 522 | L | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | trans | -134.5 | 151.8 | -175.6 | 56.7 | 84.9 | 0 | 0 | 0 | 111.9 | A506 L511 A526 V528 I534 P570 | A506-L522 HydrophobicContact CB-CD1 3.55Å; L511-L522 HydrophobicContact CD1-CD1 4.23Å; L511-L522 HydrophobicContact CD2-CD1 3.87Å; L522-A526 HydrophobicContact CB-CB 3.85Å; L522-A526 HydrophobicContact CD1-CB 4.25Å; L522-A526 HydrophobicContact CG-CB 4.47Å; L522-V528 HydrophobicContact CD1-CG2 4.24Å; L522-V528 HydrophobicContact CD2-CG1 4.39Å; L522-V528 HydrophobicContact CD2-CG2 3.52Å; L522-I534 HydrophobicContact CD2-CB 3.82Å; L522-I534 HydrophobicContact CD2-CG2 3.6Å; L522-I534 HydrophobicContact CG-CB 4.17Å; L522-I534 HydrophobicContact CG-CG2 4.45Å; L522-P570 VanDerWaalsContact C-CG 3.48Å | ||
| 523 | G | 93.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | trans | -101.8 | -173.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L511 A526 | L511-G523 VanDerWaalsContact CD1-C 3.42Å; G523-A526 WeakPolarHBondContact O-CB 3.38Å; G523-A526 PolarHBondContact O-N 2.88Å | ||
| 524 | H | 94.4 | Very high | 95.1 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 58% | 0.579 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 137.1 | 175.6 | -177.1 | 41.4 | 0 | 0 | 0 | 111.9 | A506 V507 A508 A526 L567 | A506-H524 PolarHBondContact O-ND1 2.9Å; V507-H524 WeakPolarHBondContact CA-ND1 3.3Å; A508-H524 HydrophobicContact CB-CB 4.11Å; A508-H524 PolarHBondContact N-ND1 2.81Å; H524-A526 VanDerWaalsContact C-N 3.31Å; H524-A526 PolarHBondContact O-N 3.16Å; H524-L567 HydrophobicContact CB-CD1 4.19Å |
| 525 | G | 93.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 38% | 0.381 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -5.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A506 | A506-G525 PolarHBondContact O-N 2.53Š|
| 526 | A | 94.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 26% | 0.256 | 22% | 0.219 | S | C | . | . | trans | -65.3 | 132.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K505 A506 L522 G523 H524 | K505-A526 CarbonylContact C-O 3.53Å; K505-A526 WeakPolarHBondContact CA-O 3.46Å; A506-A526 PolarHBondContact N-O 2.71Å; L522-A526 HydrophobicContact CB-CB 3.85Å; L522-A526 HydrophobicContact CD1-CB 4.25Å; L522-A526 HydrophobicContact CG-CB 4.47Å; G523-A526 WeakPolarHBondContact O-CB 3.38Å; G523-A526 PolarHBondContact O-N 2.88Å; H524-A526 VanDerWaalsContact C-N 3.31Å; H524-A526 PolarHBondContact O-N 3.16Å | ||
| 527 | E | 95.7 | Very high | 95.6 | Very high | 92 Ų | 92 | 36.8 Ų | 36.8 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.4 | 172.3 | -70.4 | -74.2 | 175.9 | 0 | 0 | 109.9 | F328 K505 | F328-E527 HydrophobicContact CE2-CB 4.14Å; F328-E527 HydrophobicContact CZ-CB 3.86Å; K505-E527 WeakPolarHBondContact CE-OE1 3.43Å; K505-E527 HydrophobicContact CG-CG 4.3Å; K505-E527 WeakPolarHBondContact CG-OE1 3.21Å; K505-E527 IonicContact NZ-OE1 2.88Å |
| 528 | V | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.8 | -177 | -165.3 | 0 | 0 | 0 | 0 | 109.4 | Q503 G504 A506 L522 Q532 I534 | Q503-V528 CarbonylContact C-O 3.38Å; Q503-V528 WeakPolarHBondContact CA-O 3.23Å; Q503-V528 VanDerWaalsContact CG-O 3.32Å; Q503-V528 WeakPolarHBondContact CG-O 3.19Å; G504-V528 PolarHBondContact N-O 2.9Å; G504-V528 PolarHBondContact O-N 2.77Å; A506-V528 HydrophobicContact CB-CG2 4.28Å; L522-V528 HydrophobicContact CD1-CG2 4.24Å; L522-V528 HydrophobicContact CD2-CG1 4.39Å; L522-V528 HydrophobicContact CD2-CG2 3.52Å; V528-Q532 VanDerWaalsContact CA-OE1 3.3Å; V528-Q532 HydrophobicContact CG1-CB 3.94Å; V528-Q532 HydrophobicContact CG1-CG 4.22Å; V528-I534 HydrophobicContact CG1-CG2 3.62Å |
| 529 | Y | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -126.9 | 167.6 | 170.7 | 62.6 | -97.2 | 0 | 0 | 0 | 113.1 | P327 F328 S500 G502 G531 Q532 E589 R598 L602 | P327-Y529 HydrophobicContact CB-CG 4.32Å; P327-Y529 HydrophobicContact CG-CD2 3.99Å; P327-Y529 HydrophobicContact CG-CG 4.01Å; F328-Y529 HydrophobicContact CB-CD1 4.45Å; F328-Y529 HydrophobicContact CB-CE1 4.48Å; F328-Y529 HydrophobicContact CD1-CD1 4.01Å; F328-Y529 AromaticContact CD2-CD1 3.52Å; F328-Y529 HydrophobicContact CD2-CD1 3.52Å; F328-Y529 AromaticContact CD2-CE1 3.82Å; F328-Y529 HydrophobicContact CD2-CE1 3.82Å; F328-Y529 HydrophobicContact CE1-CD1 4.12Å; F328-Y529 AromaticContact CE2-CD1 3.64Å; F328-Y529 HydrophobicContact CE2-CD1 3.64Å; F328-Y529 HydrophobicContact CE2-CE1 4.26Å; F328-Y529 AromaticContact CG-CD1 3.73Å; F328-Y529 HydrophobicContact CG-CD1 3.73Å; F328-Y529 HydrophobicContact CG-CE1 4.15Å; F328-Y529 AromaticContact CZ-CD1 3.94Å; F328-Y529 HydrophobicContact CZ-CD1 3.94Å; S500-Y529 VanDerWaalsContact CB-O 3.27Å; S500-Y529 WeakPolarHBondContact CB-O 3.27Å; S500-Y529 PolarHBondContact OG-O 2.73Å; G502-Y529 CarbonylContact O-C 3.59Å; G502-Y529 WeakPolarHBondContact O-CA 3.47Å; Y529-G531 PolarHBondContact O-N 2.8Å; Y529-Q532 HydrophobicContact CD1-CB 4.37Å; Y529-Q532 HydrophobicContact CD2-CB 4.07Å; Y529-Q532 HydrophobicContact CE1-CB 4.19Å; Y529-Q532 HydrophobicContact CE1-CG 4.31Å; Y529-Q532 HydrophobicContact CE2-CB 3.81Å; Y529-Q532 HydrophobicContact CG-CB 4.31Å; Y529-Q532 VanDerWaalsContact O-CB 3.32Å; Y529-Q532 WeakPolarHBondContact O-CB 3.26Å; Y529-Q532 PolarHBondContact O-N 3.09Å; Y529-E589 WeakPolarHBondContact CE1-OE2 3.21Å; Y529-E589 PolarHBondContact OH-OE2 3.05Å; Y529-R598 HydrophobicContact CE2-CB 4.36Å; Y529-R598 WeakPolarHBondContact OH-CB 3.27Å; Y529-R598 WeakPolarHBondContact OH-CD 3.41Å; Y529-L602 HydrophobicContact CD2-CD2 4.39Å; Y529-L602 HydrophobicContact CE2-CD2 3.84Å | ||
| 530 | E | 97.7 | Very high | 95.5 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 129.2 | 179 | -176.1 | -178.8 | -177.4 | 0 | 0 | 111.3 | G502 Q532 L602 T603 | G502-E530 PolarHBondContact O-N 3.16Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-L602 WeakPolarHBondContact O-CD2 3.26Å; E530-T603 WeakPolarHBondContact OE1-CA 3.43Å |
| 531 | G | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -7.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S500 Y529 R598 K599 L602 | S500-G531 PolarHBondContact O-N 3.47Å; Y529-G531 PolarHBondContact O-N 2.8Å; G531-R598 WeakPolarHBondContact O-CA 3.37Å; G531-K599 PolarHBondContact O-N 3.42Å; G531-L602 WeakPolarHBondContact CA-O 3.45Å; G531-L602 PolarHBondContact N-O 2.91Å |
| 532 | Q | 98 | Very high | 95.2 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.2 | 169.3 | -171.2 | 178.9 | -18.2 | 0 | 0 | 110.2 | S500 V528 Y529 E530 I597 | S500-Q532 PolarHBondContact N-O 3.5Å; V528-Q532 VanDerWaalsContact CA-OE1 3.3Å; V528-Q532 HydrophobicContact CG1-CB 3.94Å; V528-Q532 HydrophobicContact CG1-CG 4.22Å; Y529-Q532 HydrophobicContact CD1-CB 4.37Å; Y529-Q532 HydrophobicContact CD2-CB 4.07Å; Y529-Q532 HydrophobicContact CE1-CB 4.19Å; Y529-Q532 HydrophobicContact CE1-CG 4.31Å; Y529-Q532 HydrophobicContact CE2-CB 3.81Å; Y529-Q532 HydrophobicContact CG-CB 4.31Å; Y529-Q532 VanDerWaalsContact O-CB 3.32Å; Y529-Q532 WeakPolarHBondContact O-CB 3.26Å; Y529-Q532 PolarHBondContact O-N 3.09Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; Q532-I597 WeakPolarHBondContact CG-O 3.23Å |
| 533 | I | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.5 | 174.4 | -67.5 | 165.7 | 0 | 0 | 0 | 108.7 | V497 L498 I499 F521 F581 E586 I597 K599 | V497-I533 HydrophobicContact CB-CD1 4.1Å; V497-I533 HydrophobicContact CB-CG1 4.05Å; V497-I533 HydrophobicContact CB-CG2 3.82Å; V497-I533 HydrophobicContact CG1-CD1 3.92Å; V497-I533 HydrophobicContact CG1-CG1 4.29Å; V497-I533 HydrophobicContact CG1-CG2 3.73Å; V497-I533 HydrophobicContact CG2-CD1 3.95Å; V497-I533 HydrophobicContact CG2-CG1 4.06Å; L498-I533 CarbonylContact O-C 3.51Å; L498-I533 WeakPolarHBondContact O-CA 3.31Å; I499-I533 HydrophobicContact CG1-CG1 4.28Å; F521-I533 HydrophobicContact CD2-CG2 4Å; F521-I533 HydrophobicContact CE2-CG2 3.64Å; I533-F581 HydrophobicContact CG2-CE1 4.44Å; I533-E586 HydrophobicContact CD1-CG 3.74Å; I533-I597 HydrophobicContact CB-CB 4.24Å; I533-I597 HydrophobicContact CB-CG2 4.2Å; I533-I597 HydrophobicContact CD1-CG2 3.69Å; I533-I597 HydrophobicContact CG1-CG2 4.45Å; I533-I597 PolarHBondContact N-O 3.02Å; I533-K599 HydrophobicContact CD1-CG 4.43Å |
| 534 | I | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -1.3 | -174.6 | 69.2 | 171 | 0 | 0 | 0 | 113 | L498 L514 F521 L522 V528 V545 C547 | L498-I534 HydrophobicContact CB-CG1 3.95Å; L498-I534 WeakPolarHBondContact O-CG1 3.39Å; L498-I534 PolarHBondContact O-N 3.11Å; L514-I534 HydrophobicContact CD1-CD1 4.1Å; F521-I534 PolarHBondContact N-O 3.41Å; L522-I534 HydrophobicContact CD2-CB 3.82Å; L522-I534 HydrophobicContact CD2-CG2 3.6Å; L522-I534 HydrophobicContact CG-CB 4.17Å; L522-I534 HydrophobicContact CG-CG2 4.45Å; V528-I534 HydrophobicContact CG1-CG2 3.62Å; I534-V545 HydrophobicContact CD1-CG2 3.67Å; I534-V545 HydrophobicContact CG1-CG2 4.31Å; I534-C547 HydrophobicContact CD1-CB 3.8Å |
| 535 | G | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | 178 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L498 K519 | L498-G535 PolarHBondContact N-O 3.45Å; K519-G535 CarbonylContact O-C 3.49Å; K519-G535 WeakPolarHBondContact O-CA 3.34Å |
| 536 | I | 95.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.2 | 178.5 | -50.8 | -180 | 0 | 0 | 0 | 108.3 | N495 G518 K519 F521 M573 F581 | N495-I536 HydrophobicContact CB-CG2 3.51Å; G518-I536 CarbonylContact C-O 3.47Å; G518-I536 WeakPolarHBondContact CA-O 3.47Å; K519-I536 PolarHBondContact N-O 3.36Å; K519-I536 PolarHBondContact O-N 2.88Å; F521-I536 HydrophobicContact CE1-CD1 3.96Å; F521-I536 HydrophobicContact CE1-CG1 3.67Å; F521-I536 HydrophobicContact CE2-CG1 4.41Å; F521-I536 HydrophobicContact CZ-CD1 3.96Å; F521-I536 HydrophobicContact CZ-CG1 3.39Å; I536-M573 HydrophobicContact CD1-CE 4.32Å; I536-F581 HydrophobicContact CD1-CD2 4.38Å; I536-F581 HydrophobicContact CD1-CE2 3.64Å; I536-F581 HydrophobicContact CD1-CZ 4.29Å; I536-F581 HydrophobicContact CG1-CE2 3.64Å; I536-F581 HydrophobicContact CG1-CZ 3.79Å |
| 537 | H | 96.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 141.4 | 176.3 | -171.3 | -146.9 | 0 | 0 | 0 | 110.8 | N495 G496 L498 R517 R539 N541 | N495-H537 WeakPolarHBondContact CB-O 3.29Å; N495-H537 PolarHBondContact ND2-O 2.95Å; G496-H537 WeakPolarHBondContact O-CB 3.22Å; G496-H537 PolarHBondContact O-N 3.19Å; L498-H537 HydrophobicContact CD2-CB 3.96Å; L498-H537 HydrophobicContact CG-CB 4.38Å; R517-H537 PolarHBondContact O-CD2 3Å; H537-R539 PolarHBondContact ND1-O 2.92Å; H537-R539 PolarHBondContact O-N 3.16Å; H537-R539 VanDerWaalsContact O-N 3.13Å; H537-N541 PolarHBondContact CE1-OD1 3.4Å; H537-N541 VanDerWaalsContact CE1-OD1 3.27Å; H537-N541 PolarHBondContact ND1-O 2.83Å |
| 538 | S | 92.5 | Very high | 95.4 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -63.8 | -12.1 | 175.5 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | R517 | R517-S538 VanDerWaalsContact O-CB 3.26Å; R517-S538 WeakPolarHBondContact O-CB 3.22Å; R517-S538 PolarHBondContact O-N 3.49Å; R517-S538 PolarHBondContact O-OG 3.45Å |
| 539 | R | 92.1 | Very high | 95 | Very high | 176 Ų | 176 | 42.1 Ų | 42.1 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -122.6 | 169.4 | 177.4 | -54.1 | -179 | -179.9 | -173.4 | -1.5 | 110.3 | G496 H537 N541 | G496-R539 PolarHBondContact N-O 2.87Å; H537-R539 PolarHBondContact ND1-O 2.92Å; H537-R539 PolarHBondContact O-N 3.16Å; H537-R539 VanDerWaalsContact O-N 3.13Å; R539-N541 VanDerWaalsContact C-N 3.35Å; R539-N541 PolarHBondContact O-N 3.26Å |
| 540 | S | 90.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -71.8 | -21.5 | -177.7 | 55.6 | 0 | 0 | 0 | 0 | 115.3 | Q494 G496 | Q494-S540 WeakPolarHBondContact O-CA 3.2Å; Q494-S540 WeakPolarHBondContact O-CB 3.49Å; G496-S540 WeakPolarHBondContact CA-O 3.44Å; G496-S540 PolarHBondContact N-O 2.94Å |
| 541 | N | 92.7 | Very high | 93.2 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -81.2 | 145.1 | -179 | 72.6 | -77.9 | 0 | 0 | 0 | 111.8 | H537 R539 | H537-N541 PolarHBondContact CE1-OD1 3.4Å; H537-N541 VanDerWaalsContact CE1-OD1 3.27Å; H537-N541 PolarHBondContact ND1-O 2.83Å; R539-N541 VanDerWaalsContact C-N 3.35Å; R539-N541 PolarHBondContact O-N 3.26Å |
| 542 | D | 94.5 | Very high | 92 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | trans | -70.3 | 148.4 | 170 | -70.6 | -10.9 | 0 | 0 | 0 | 111.4 | G496 V497 I499 K599 | G496-D542 VanDerWaalsContact CA-OD1 3.29Å; G496-D542 WeakPolarHBondContact CA-OD1 3.48Å; V497-D542 HydrophobicContact CG2-CB 4.36Å; V497-D542 WeakPolarHBondContact CG2-OD1 3.25Å; V497-D542 PolarHBondContact N-OD1 3.35Å; I499-D542 HydrophobicContact CD1-CB 4.1Å; D542-K599 WeakPolarHBondContact OD2-CE 3.42Å; D542-K599 IonicContact OD2-NZ 2.85Å; D542-K599 PolarHBondContact OD2-NZ 3.4Å | ||
| 543 | L | 95.5 | Very high | 90.2 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.6 | 178.5 | -170.9 | 66.4 | 0 | 0 | 0 | 111.2 | V497 L498 I499 V545 | V497-L543 PolarHBondContact O-N 3.42Å; L498-L543 WeakPolarHBondContact CA-O 3.38Å; L498-L543 HydrophobicContact CD2-CB 4.15Å; L498-L543 HydrophobicContact CD2-CD2 4.34Å; I499-L543 PolarHBondContact N-O 2.81Å; L543-V545 HydrophobicContact CB-CG1 4.43Å; L543-V545 HydrophobicContact CD2-CG1 3.73Å; L543-V545 HydrophobicContact CG-CG1 3.7Å |
| 544 | T | 96.8 | Very high | 88.2 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.4 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | I499 N501 R607 | I499-T544 CarbonylContact O-C 3.49Å; I499-T544 VanDerWaalsContact O-CA 3.31Å; I499-T544 WeakPolarHBondContact O-CA 3.36Å; N501-T544 HydrophobicContact CB-CG2 3.64Å; T544-R607 PolarHBondContact OG1-NH2 3.36Å |
| 545 | V | 95.5 | Very high | 86.1 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.3 | -171.1 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | L498 I499 N501 L514 I534 L543 | L498-V545 HydrophobicContact CB-CG2 4.24Å; L498-V545 HydrophobicContact CD2-CG1 4.43Å; I499-V545 PolarHBondContact O-N 3.46Å; N501-V545 PolarHBondContact N-O 2.8Å; N501-V545 PolarHBondContact OD1-O 2.84Å; L514-V545 HydrophobicContact CD1-CB 4.26Å; L514-V545 HydrophobicContact CD1-CG2 3.93Å; L514-V545 HydrophobicContact CD2-CB 3.66Å; L514-V545 HydrophobicContact CD2-CG1 3.77Å; L514-V545 HydrophobicContact CD2-CG2 4.01Å; I534-V545 HydrophobicContact CD1-CG2 3.67Å; I534-V545 HydrophobicContact CG1-CG2 4.31Å; L543-V545 HydrophobicContact CB-CG1 4.43Å; L543-V545 HydrophobicContact CD2-CG1 3.73Å; L543-V545 HydrophobicContact CG-CG1 3.7Å |
| 546 | N | 95.4 | Very high | 83.8 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 33% | 0.326 | 44% | 0.443 | S | S | . | . | trans | -105 | 108.4 | 178.3 | -170.1 | -35.2 | 0 | 0 | 0 | 110.5 | N501 L548 T549 | N501-N546 PolarHBondContact ND2-ND2 2.88Å; N501-N546 VanDerWaalsContact OD1-CA 3.25Å; N501-N546 WeakPolarHBondContact OD1-CA 3.24Å; N501-N546 WeakPolarHBondContact OD1-CB 3.49Å; N501-N546 VanDerWaalsContact OD1-CG 3.29Å; N546-L548 WeakPolarHBondContact OD1-CA 3.31Å; N546-L548 WeakPolarHBondContact OD1-CB 3.47Å; N546-L548 PolarHBondContact OD1-N 2.86Å; N546-T549 PolarHBondContact ND2-OG1 2.8Å; N546-T549 VanDerWaalsContact ND2-OG1 3.12Å; N546-T549 PolarHBondContact OD1-N 3Å; N546-T549 VanDerWaalsContact OD1-N 3.16Å; N546-T549 PolarHBondContact OD1-OG1 3.31Å; N546-T549 VanDerWaalsContact OD1-OG1 3.1Å | ||
| 547 | C | 93.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -93.2 | 5.2 | 176.3 | 62 | 0 | 0 | 0 | 0 | 113.8 | A506 V507 A510 L511 L514 I534 | A506-C547 WeakPolarHBondContact CA-O 3.29Å; A506-C547 HydrophobicContact CB-CB 4.47Å; V507-C547 PolarHBondContact N-O 3.49Å; A510-C547 WeakPolarHBondContact CB-O 3.36Å; L511-C547 HydrophobicContact CD2-CB 3.93Å; L514-C547 HydrophobicContact CD1-CB 4.05Å; I534-C547 HydrophobicContact CD1-CB 3.8Å |
| 548 | L | 93.7 | Very high | 78.7 | Confident | 44 Ų | 44 | 97.5 Ų | 97.5 | 23% | 0.23 | 51% | 0.513 | C | S | . | . | trans | -103.4 | -17.1 | -172 | -49.4 | 178.8 | 0 | 0 | 0 | 113 | Q503 G504 K505 N546 G550 | Q503-L548 WeakPolarHBondContact O-CD1 3.41Å; G504-L548 VanDerWaalsContact C-CD2 3.44Å; G504-L548 WeakPolarHBondContact O-CD2 3.32Å; K505-L548 WeakPolarHBondContact O-CD2 3.4Å; N546-L548 WeakPolarHBondContact OD1-CA 3.31Å; N546-L548 WeakPolarHBondContact OD1-CB 3.47Å; N546-L548 PolarHBondContact OD1-N 2.86Å; L548-G550 PolarHBondContact O-N 2.79Å | ||
| 549 | T | 88.5 | Confident | 76.4 | Confident | 67 Ų | 67 | 99.7 Ų | 99.7 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | trans | -76.4 | 110.8 | -173 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | V507 N546 | V507-T549 VanDerWaalsContact CG2-O 3.32Å; V507-T549 WeakPolarHBondContact CG2-O 3.45Å; N546-T549 PolarHBondContact ND2-OG1 2.8Å; N546-T549 VanDerWaalsContact ND2-OG1 3.12Å; N546-T549 PolarHBondContact OD1-N 3Å; N546-T549 VanDerWaalsContact OD1-N 3.16Å; N546-T549 PolarHBondContact OD1-OG1 3.31Å; N546-T549 VanDerWaalsContact OD1-OG1 3.1Å | ||
| 550 | G | 82.2 | Confident | 74.2 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 168.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L548 K552 | L548-G550 PolarHBondContact O-N 2.79Å; G550-K552 PolarHBondContact O-N 2.92Å |
| 551 | K | 75.7 | Confident | 72 | Confident | 129 Ų | 129 | 95.9 Ų | 95.9 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -59 | 120.1 | 171.4 | -169.8 | 174.8 | 179.4 | 179.6 | 0 | 108.3 | F509 L553 D562 | F509-K551 HydrophobicContact CD1-CB 4.18Å; F509-K551 HydrophobicContact CD2-CB 3.81Å; F509-K551 HydrophobicContact CD2-CD 4.34Å; F509-K551 HydrophobicContact CD2-CG 4.14Å; F509-K551 HydrophobicContact CE1-CB 4.33Å; F509-K551 HydrophobicContact CE2-CB 3.98Å; F509-K551 HydrophobicContact CE2-CD 4.28Å; F509-K551 HydrophobicContact CE2-CG 3.9Å; F509-K551 HydrophobicContact CG-CB 3.91Å; F509-K551 HydrophobicContact CZ-CB 4.24Å; F509-K551 HydrophobicContact CZ-CG 4.25Å; K551-L553 PolarHBondContact O-N 3.02Å; K551-L553 VanDerWaalsContact O-N 3.11Å; K551-D562 IonicContact NZ-OD1 3.37Å; K551-D562 PolarHBondContact NZ-OD1 3.47Å |
| 552 | K | 70.3 | Confident | 70.1 | Confident | 180 Ų | 180 | 99 Ų | 99 | 78% | 0.783 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.6 | 173.6 | -71.1 | -173.2 | -179.4 | -179.1 | 0 | 108 | G550 T554 | G550-K552 PolarHBondContact O-N 2.92Å; K552-T554 VanDerWaalsContact C-N 3.35Å; K552-T554 PolarHBondContact O-N 2.92Å |
| 553 | L | 61.2 | Low | 68.4 | Low | 170 Ų | 170 | 104 Ų | 104 | 89% | 0.89 | 57% | 0.573 | S | S | * | * | trans | -65.7 | 95.5 | 171.7 | -68.1 | 168.2 | 0 | 0 | 0 | 107.9 | K551 | K551-L553 PolarHBondContact O-N 3.02Å; K551-L553 VanDerWaalsContact O-N 3.11Å | ||
| 554 | T | 54.7 | Low | 67.1 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.663 | 60% | 0.595 | S | S | * | * | trans | -72.6 | 137.6 | 162.8 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | K552 M556 | K552-T554 VanDerWaalsContact C-N 3.35Å; K552-T554 PolarHBondContact O-N 2.92Å; T554-M556 PolarHBondContact O-N 2.73Å | ||
| 555 | N | 52.4 | Low | 66.1 | Low | 177 Ų | 177 | 107.4 Ų | 107.4 | 95% | 0.947 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -63.2 | 14.2 | 178 | -83.9 | -21 | 0 | 0 | 0 | 114.2 | ||
| 556 | M | 48 | Very low | 65.7 | Low | 162 Ų | 162 | 112 Ų | 112 | 80% | 0.798 | 63% | 0.631 | S | S | * | * | trans | -92.5 | 99.9 | 168.4 | -107.9 | -175.5 | -88.2 | 0 | 0 | 108.9 | T554 A558 | T554-M556 PolarHBondContact O-N 2.73Å; M556-A558 VanDerWaalsContact C-N 3.31Å; M556-A558 PolarHBondContact O-N 2.81Å | ||
| 557 | R | 41.3 | Very low | 65.5 | Low | 244 Ų | 244 | 111.2 Ų | 111.2 | 92% | 0.921 | 63% | 0.627 | S | S | * | * | trans | -61.7 | 90.4 | 165.4 | -76.8 | 178.7 | 175.5 | 173.6 | -1.9 | 109.1 | S559 | R557-S559 VanDerWaalsContact C-N 3.31Å; R557-S559 PolarHBondContact O-N 3.44Å; R557-S559 VanDerWaalsContact O-N 3.12Å | ||
| 558 | A | 44.8 | Very low | 65.4 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 78% | 0.777 | 66% | 0.655 | S | S | * | * | trans | -77.2 | 87.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108 | M556 G560 | M556-A558 VanDerWaalsContact C-N 3.31Å; M556-A558 PolarHBondContact O-N 2.81Å; A558-G560 PolarHBondContact O-N 2.99Å | ||
| 559 | S | 44.4 | Very low | 65.4 | Low | 122 Ų | 122 | 119 Ų | 119 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | trans | -76.9 | 49.2 | -178.3 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | R557 | R557-S559 VanDerWaalsContact C-N 3.31Å; R557-S559 PolarHBondContact O-N 3.44Å; R557-S559 VanDerWaalsContact O-N 3.12Å | ||
| 560 | G | 46.9 | Very low | 65.7 | Low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -152.8 | -30.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | A558 | A558-G560 PolarHBondContact O-N 2.99Š|
| 561 | T | 44.4 | Very low | 66.2 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -158.1 | 84.4 | -177.7 | 48.9 | 0 | 0 | 0 | 0 | 110 | E563 | T561-E563 VanDerWaalsContact C-N 3.31Å; T561-E563 PolarHBondContact O-N 3.13Å; T561-E563 VanDerWaalsContact O-N 3.15Å | ||
| 562 | D | 52.2 | Low | 66.9 | Low | 143 Ų | 143 | 122 Ų | 122 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -74.7 | 97 | 156.3 | -91.2 | -30.5 | 0 | 0 | 0 | 106.1 | K551 A564 | K551-D562 IonicContact NZ-OD1 3.37Å; K551-D562 PolarHBondContact NZ-OD1 3.47Å; D562-A564 PolarHBondContact O-N 3.09Å; D562-A564 VanDerWaalsContact O-N 3.09Å | ||
| 563 | E | 58.4 | Low | 67.9 | Low | 170 Ų | 170 | 115.4 Ų | 115.4 | 79% | 0.794 | 65% | 0.649 | S | S | * | * | trans | -55.7 | 116.1 | 166.3 | -72.9 | -178.6 | 168.2 | 0 | 0 | 107.3 | T561 V565 | T561-E563 VanDerWaalsContact C-N 3.31Å; T561-E563 PolarHBondContact O-N 3.13Å; T561-E563 VanDerWaalsContact O-N 3.15Å; E563-V565 PolarHBondContact O-N 3.25Å | ||
| 564 | A | 67.8 | Low | 69.3 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | trans | -59.2 | 114.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | D562 V566 | D562-A564 PolarHBondContact O-N 3.09Å; D562-A564 VanDerWaalsContact O-N 3.09Å; A564-V566 WeakPolarHBondContact O-CG2 3.39Å; A564-V566 PolarHBondContact O-N 2.85Å | ||
| 565 | V | 77.2 | Confident | 71 | Confident | 65 Ų | 65 | 105.5 Ų | 105.5 | 39% | 0.394 | 60% | 0.595 | S | S | . | * | trans | -66.2 | 106.3 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | A508 F512 E563 L567 | A508-V565 HydrophobicContact CB-CG1 4.2Å; F512-V565 HydrophobicContact CB-CG1 3.49Å; F512-V565 VanDerWaalsContact CB-CG1 3.49Å; F512-V565 HydrophobicContact CD2-CG1 3.61Å; F512-V565 HydrophobicContact CG-CG1 3.69Å; E563-V565 PolarHBondContact O-N 3.25Å; V565-L567 HydrophobicContact CG1-CD2 4.27Å; V565-L567 HydrophobicContact CG1-CG 4.48Å | ||
| 566 | V | 87 | Confident | 72.6 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 117.8 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | F512 Q515 A564 | F512-V566 WeakPolarHBondContact CD2-O 3.23Å; Q515-V566 PolarHBondContact NE2-O 3.23Å; A564-V566 WeakPolarHBondContact O-CG2 3.39Å; A564-V566 PolarHBondContact O-N 2.85Å |
| 567 | L | 90.2 | Very high | 74.5 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 137.8 | 174.3 | -64.1 | 177.7 | 0 | 0 | 0 | 110.5 | A508 L511 F512 H524 V565 | A508-L567 HydrophobicContact CB-CD1 4.14Å; L511-L567 HydrophobicContact CB-CD1 4.16Å; L511-L567 HydrophobicContact CB-CD2 3.78Å; L511-L567 HydrophobicContact CD1-CD1 4.06Å; F512-L567 HydrophobicContact CB-CD2 4.09Å; H524-L567 HydrophobicContact CB-CD1 4.19Å; V565-L567 HydrophobicContact CG1-CD2 4.27Å; V565-L567 HydrophobicContact CG1-CG 4.48Å |
| 568 | V | 92.1 | Very high | 77 | Confident | 98 Ų | 98 | 83.6 Ų | 83.6 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 137.3 | 170 | -180 | 0 | 0 | 0 | 0 | 109 | ||
| 569 | P | 93.7 | Very high | 79.2 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 128 | 174.4 | -29.4 | 36.4 | 0 | 0 | 0 | 111.6 | ||
| 570 | P | 94 | Very high | 81.1 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.1 | -178.6 | -19.1 | 30.1 | 0 | 0 | 0 | 112.3 | L520 L522 R572 | L520-P570 CarbonylContact O-C 3.55Å; L520-P570 WeakPolarHBondContact O-CA 3.45Å; L522-P570 VanDerWaalsContact C-CG 3.48Å; P570-R572 PolarHBondContact O-N 3.03Å |
| 571 | I | 92.8 | Very high | 83.2 | Confident | 60 Ų | 60 | 72.4 Ų | 72.4 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 116.7 | 170.5 | -57.5 | 173.3 | 0 | 0 | 0 | 107.9 | K519 L520 F521 M573 | K519-I571 HydrophobicContact CB-CD1 3.63Å; K519-I571 HydrophobicContact CD-CD1 3.76Å; K519-I571 HydrophobicContact CG-CD1 4.31Å; L520-I571 PolarHBondContact O-N 2.88Å; F521-I571 HydrophobicContact CD1-CB 4.04Å; F521-I571 HydrophobicContact CE1-CB 4.33Å; I571-M573 HydrophobicContact CG2-CG 4.19Å |
| 572 | R | 91.6 | Very high | 85.5 | Confident | 198 Ų | 198 | 66.7 Ų | 66.7 | 75% | 0.747 | 36% | 0.36 | S | S | * | . | trans | -91.2 | 110.5 | 171.2 | -60.5 | -61.8 | -172.7 | 163.8 | 3.2 | 107.9 | P570 | P570-R572 PolarHBondContact O-N 3.03Š| ||
| 573 | M | 90.5 | Very high | 87.3 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 21% | 0.207 | 33% | 0.331 | C | S | . | . | trans | -85.4 | 133.2 | 176.3 | -71.1 | 176.5 | 157.4 | 0 | 0 | 110.2 | F521 I536 I571 Q577 A578 F581 I597 | F521-M573 HydrophobicContact CD1-CE 4.38Å; F521-M573 HydrophobicContact CD1-SD 4.31Å; F521-M573 HydrophobicContact CE1-CE 3.36Å; F521-M573 HydrophobicContact CE1-CG 4.47Å; F521-M573 HydrophobicContact CE1-SD 3.74Å; F521-M573 HydrophobicContact CE2-CE 4.37Å; F521-M573 HydrophobicContact CE2-SD 4.19Å; F521-M573 HydrophobicContact CZ-CE 3.34Å; F521-M573 HydrophobicContact CZ-SD 3.66Å; I536-M573 HydrophobicContact CD1-CE 4.32Å; I571-M573 HydrophobicContact CG2-CG 4.19Å; M573-Q577 HydrophobicContact CB-CB 4.16Å; M573-Q577 HydrophobicContact CG-CB 4.4Å; M573-A578 HydrophobicContact CB-CB 4.46Å; M573-F581 HydrophobicContact CE-CB 4.08Å; M573-F581 HydrophobicContact CE-CD1 4.19Å; M573-F581 HydrophobicContact CE-CD2 3.67Å; M573-F581 HydrophobicContact CE-CE2 4.1Å; M573-F581 HydrophobicContact CE-CG 3.7Å; M573-F581 HydrophobicContact SD-CB 4.43Å; M573-F581 HydrophobicContact SD-CD1 4.32Å; M573-F581 HydrophobicContact SD-CG 4.26Å; M573-I597 HydrophobicContact SD-CD1 3.58Å; M573-I597 VanDerWaalsContact SD-CD1 3.58Å | ||
| 574 | T | 90.5 | Very high | 88.8 | Confident | 65 Ų | 65 | 57 Ų | 57 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | trans | -70.2 | 172.9 | 163.5 | 75.7 | 0 | 0 | 0 | 0 | 110.3 | E576 Q577 A578 | T574-E576 VanDerWaalsContact C-N 3.33Å; T574-E576 WeakPolarHBondContact CB-OE2 3.25Å; T574-E576 PolarHBondContact O-N 2.88Å; T574-E576 PolarHBondContact OG1-OE2 3.02Å; T574-Q577 PolarHBondContact O-N 3.1Å; T574-Q577 WeakPolarHBondContact OG1-CG 3.5Å; T574-Q577 PolarHBondContact OG1-N 3.04Å; T574-A578 WeakPolarHBondContact O-CB 3.36Å; T574-A578 PolarHBondContact O-N 3.32Å | ||
| 575 | L | 91.2 | Very high | 90 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.1 | 176.1 | 60.5 | 0 | 0 | 0 | 111.5 | I380 E381 A578 L579 V588 V590 I595 | I380-L575 HydrophobicContact CB-CD2 3.86Å; I380-L575 HydrophobicContact CG2-CD1 3.95Å; I380-L575 HydrophobicContact CG2-CD2 3.6Å; I380-L575 HydrophobicContact CG2-CG 4.41Å; E381-L575 HydrophobicContact CB-CD2 4.17Å; L575-A578 PolarHBondContact O-N 3.45Å; L575-L579 HydrophobicContact CD1-CD1 4.28Å; L575-L579 HydrophobicContact CD1-CG 4.36Å; L575-L579 HydrophobicContact CG-CD1 4.16Å; L575-L579 WeakPolarHBondContact O-CG 3.29Å; L575-L579 PolarHBondContact O-N 2.98Å; L575-V588 HydrophobicContact CD1-CG1 4.44Å; L575-V590 HydrophobicContact CD1-CG2 3.65Å; L575-I595 HydrophobicContact CB-CD1 3.82Å |
| 576 | E | 86.5 | Confident | 90.8 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 23% | 0.229 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 178.2 | -59.6 | 74.1 | -163 | 0 | 0 | 110 | R62 S377 T574 A578 L579 E580 | R62-E576 IonicContact CZ-OE1 3.05Å; R62-E576 IonicContact NH1-OE1 3.93Å; R62-E576 IonicContact NH2-OE1 2.7Å; R62-E576 PolarHBondContact NH2-OE1 3.46Å; S377-E576 PolarHBondContact OG-OE1 3.36Å; T574-E576 VanDerWaalsContact C-N 3.33Å; T574-E576 WeakPolarHBondContact CB-OE2 3.25Å; T574-E576 PolarHBondContact O-N 2.88Å; T574-E576 PolarHBondContact OG1-OE2 3.02Å; E576-A578 PolarHBondContact O-N 3.3Å; E576-L579 PolarHBondContact O-N 3.4Å; E576-L579 VanDerWaalsContact O-N 3.14Å; E576-E580 WeakPolarHBondContact O-CB 3.35Å; E576-E580 WeakPolarHBondContact O-CG 3.35Å; E576-E580 PolarHBondContact O-N 3.47Å |
| 577 | Q | 88 | Confident | 91.3 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -35.5 | 176.7 | -70.9 | 177 | -28.1 | 0 | 0 | 112.6 | M573 T574 F581 | M573-Q577 HydrophobicContact CB-CB 4.16Å; M573-Q577 HydrophobicContact CG-CB 4.4Å; T574-Q577 PolarHBondContact O-N 3.1Å; T574-Q577 WeakPolarHBondContact OG1-CG 3.5Å; T574-Q577 PolarHBondContact OG1-N 3.04Å; Q577-F581 WeakPolarHBondContact O-CB 3.5Å; Q577-F581 PolarHBondContact O-N 3.5Å |
| 578 | A | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.8 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M573 T574 L575 E576 E580 F581 I582 V588 I595 I597 | M573-A578 HydrophobicContact CB-CB 4.46Å; T574-A578 WeakPolarHBondContact O-CB 3.36Å; T574-A578 PolarHBondContact O-N 3.32Å; L575-A578 PolarHBondContact O-N 3.45Å; E576-A578 PolarHBondContact O-N 3.3Å; A578-E580 VanDerWaalsContact C-N 3.33Å; A578-F581 PolarHBondContact O-N 2.82Å; A578-I582 WeakPolarHBondContact O-CG2 3.37Å; A578-I582 PolarHBondContact O-N 3.49Å; A578-V588 HydrophobicContact CB-CG1 3.82Å; A578-V588 HydrophobicContact CB-CG2 3.87Å; A578-I595 HydrophobicContact CB-CG2 4.04Å; A578-I597 HydrophobicContact CB-CD1 3.8Å; A578-I597 HydrophobicContact CB-CG1 4.18Å |
| 579 | L | 90.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.3 | -76.4 | 171.5 | 0 | 0 | 0 | 112 | M319 I380 V392 L575 E576 F581 I582 V588 | M319-L579 HydrophobicContact CE-CD2 4.3Å; M319-L579 HydrophobicContact SD-CD2 4.35Å; I380-L579 HydrophobicContact CD1-CD1 4.1Å; V392-L579 HydrophobicContact CB-CD2 4.38Å; V392-L579 HydrophobicContact CG2-CD2 3.54Å; L575-L579 HydrophobicContact CD1-CD1 4.28Å; L575-L579 HydrophobicContact CD1-CG 4.36Å; L575-L579 HydrophobicContact CG-CD1 4.16Å; L575-L579 WeakPolarHBondContact O-CG 3.29Å; L575-L579 PolarHBondContact O-N 2.98Å; E576-L579 PolarHBondContact O-N 3.4Å; E576-L579 VanDerWaalsContact O-N 3.14Å; L579-F581 VanDerWaalsContact C-N 3.33Å; L579-I582 WeakPolarHBondContact O-CG1 3.02Å; L579-V588 HydrophobicContact CD2-CG2 4.33Å |
| 580 | E | 85.7 | Confident | 92 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -31.3 | 174.8 | -72.3 | -167.5 | 173.2 | 0 | 0 | 112.7 | E373 S463 E576 A578 | E373-E580 WeakPolarHBondContact OE1-CG 3.19Å; S463-E580 WeakPolarHBondContact CB-OE2 3.44Å; S463-E580 PolarHBondContact N-OE2 3.33Å; S463-E580 VanDerWaalsContact N-OE2 3.07Å; S463-E580 PolarHBondContact OG-OE2 2.88Å; E576-E580 WeakPolarHBondContact O-CB 3.35Å; E576-E580 WeakPolarHBondContact O-CG 3.35Å; E576-E580 PolarHBondContact O-N 3.47Å; A578-E580 VanDerWaalsContact C-N 3.33Å |
| 581 | F | 90 | Very high | 92.1 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.1 | -32.7 | -174 | 173.4 | -100 | 0 | 0 | 0 | 114.3 | R493 V497 F521 I533 I536 M573 Q577 A578 L579 I597 | R493-F581 VanDerWaalsContact CD-CE2 3.4Å; R493-F581 PolarHBondContact NH1-O 3.11Å; V497-F581 HydrophobicContact CG1-CE1 3.96Å; V497-F581 HydrophobicContact CG1-CZ 3.71Å; F521-F581 AromaticContact CE2-CE1 3.85Å; F521-F581 HydrophobicContact CE2-CE1 3.85Å; F521-F581 AromaticContact CE2-CZ 3.98Å; F521-F581 HydrophobicContact CE2-CZ 3.98Å; F521-F581 AromaticContact CZ-CE1 3.86Å; F521-F581 HydrophobicContact CZ-CE1 3.86Å; F521-F581 HydrophobicContact CZ-CE2 4.13Å; F521-F581 AromaticContact CZ-CZ 3.64Å; F521-F581 HydrophobicContact CZ-CZ 3.64Å; I533-F581 HydrophobicContact CG2-CE1 4.44Å; I536-F581 HydrophobicContact CD1-CD2 4.38Å; I536-F581 HydrophobicContact CD1-CE2 3.64Å; I536-F581 HydrophobicContact CD1-CZ 4.29Å; I536-F581 HydrophobicContact CG1-CE2 3.64Å; I536-F581 HydrophobicContact CG1-CZ 3.79Å; M573-F581 HydrophobicContact CE-CB 4.08Å; M573-F581 HydrophobicContact CE-CD1 4.19Å; M573-F581 HydrophobicContact CE-CD2 3.67Å; M573-F581 HydrophobicContact CE-CE2 4.1Å; M573-F581 HydrophobicContact CE-CG 3.7Å; M573-F581 HydrophobicContact SD-CB 4.43Å; M573-F581 HydrophobicContact SD-CD1 4.32Å; M573-F581 HydrophobicContact SD-CG 4.26Å; Q577-F581 WeakPolarHBondContact O-CB 3.5Å; Q577-F581 PolarHBondContact O-N 3.5Å; A578-F581 PolarHBondContact O-N 2.82Å; L579-F581 VanDerWaalsContact C-N 3.33Å; F581-I597 HydrophobicContact CD1-CD1 3.59Å; F581-I597 HydrophobicContact CD1-CG2 4.43Å; F581-I597 HydrophobicContact CE1-CD1 4.15Å; F581-I597 HydrophobicContact CE1-CG2 4.49Å; F581-I597 HydrophobicContact CG-CD1 4.47Å |
| 582 | I | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -72.9 | 144.9 | -171.2 | 53.8 | 157.4 | 0 | 0 | 0 | 113.5 | S393 R394 A578 L579 E586 V588 I597 | S393-I582 VanDerWaalsContact C-CD1 3.44Å; R394-I582 HydrophobicContact CB-CD1 4.01Å; R394-I582 HydrophobicContact CB-CG1 4.12Å; R394-I582 VanDerWaalsContact CD-O 3.26Å; R394-I582 WeakPolarHBondContact CD-O 2.99Å; R394-I582 WeakPolarHBondContact CG-O 3.5Å; A578-I582 WeakPolarHBondContact O-CG2 3.37Å; A578-I582 PolarHBondContact O-N 3.49Å; L579-I582 WeakPolarHBondContact O-CG1 3.02Å; I582-E586 WeakPolarHBondContact CA-OE2 3.31Å; I582-E586 HydrophobicContact CB-CB 3.81Å; I582-E586 HydrophobicContact CG2-CB 3.96Å; I582-V588 HydrophobicContact CB-CG2 4.49Å; I582-V588 HydrophobicContact CD1-CG2 3.78Å; I582-V588 HydrophobicContact CG1-CG2 4.02Å; I582-V588 HydrophobicContact CG2-CG2 3.69Å; I582-I597 HydrophobicContact CG2-CD1 4.43Å; I582-I597 HydrophobicContact CG2-CG2 3.4Å; I582-I597 VanDerWaalsContact CG2-CG2 3.4Å | ||
| 583 | D | 90.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | trans | -93 | 176.1 | 169.3 | -78.9 | -46.9 | 0 | 0 | 0 | 112.6 | R394 R493 D585 E586 | R394-D583 IonicContact NH1-OD1 2.71Å; R394-D583 PolarHBondContact NH1-OD1 3.05Å; R493-D583 IonicContact CZ-OD2 2.73Å; R493-D583 IonicContact NE-OD2 3.25Å; R493-D583 IonicContact NH2-OD2 3.38Å; R493-D583 PolarHBondContact NH2-OD2 2.96Å; R493-D583 VanDerWaalsContact NH2-OD2 3.16Å; D583-D585 PolarHBondContact O-N 2.79Å; D583-E586 PolarHBondContact N-OE2 3.12Å; D583-E586 WeakPolarHBondContact O-CB 3.34Å; D583-E586 PolarHBondContact O-N 3.14Å | ||
| 584 | D | 88.6 | Confident | 92.4 | Very high | 82 Ų | 82 | 27.9 Ų | 27.9 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.9 | -174.5 | -78.1 | -11.5 | 0 | 0 | 0 | 114.4 | K396 E586 R600 | K396-D584 VanDerWaalsContact CE-CG 3.49Å; K396-D584 WeakPolarHBondContact CE-OD1 3.44Å; K396-D584 IonicContact NZ-OD1 3.42Å; K396-D584 PolarHBondContact NZ-OD1 3.04Å; K396-D584 VanDerWaalsContact NZ-OD1 3.13Å; K396-D584 IonicContact NZ-OD2 2.61Å; K396-D584 PolarHBondContact NZ-OD2 3.34Å; D584-E586 VanDerWaalsContact C-N 3.31Å; D584-R600 PolarHBondContact O-NH2 2.78Å |
| 585 | D | 92.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 12.5 | 176.4 | 79.3 | -39.4 | 0 | 0 | 0 | 113 | D583 K599 R600 | D583-D585 PolarHBondContact O-N 2.79Å; D585-K599 CarbonylContact O-C 3.51Å; D585-K599 IonicContact OD1-NZ 3.44Å; D585-K599 PolarHBondContact OD1-NZ 3.45Å; D585-K599 WeakPolarHBondContact OD2-CD 3.43Å; D585-K599 WeakPolarHBondContact OD2-CE 3.49Å; D585-K599 IonicContact OD2-NZ 2.67Å; D585-K599 PolarHBondContact OD2-NZ 2.9Å; D585-R600 WeakPolarHBondContact O-CB 3.41Å; D585-R600 PolarHBondContact O-N 2.94Å |
| 586 | E | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 158.7 | -178.9 | -66.8 | 169 | -175.5 | 0 | 0 | 111.2 | R493 I533 I582 D583 D584 R598 K599 | R493-E586 IonicContact CZ-OE1 3.33Å; R493-E586 IonicContact CZ-OE2 3.16Å; R493-E586 IonicContact NH1-OE1 3.55Å; R493-E586 IonicContact NH1-OE2 3.15Å; R493-E586 PolarHBondContact NH1-OE2 2.88Å; R493-E586 IonicContact NH2-OE1 3.34Å; R493-E586 PolarHBondContact NH2-OE1 2.73Å; R493-E586 IonicContact NH2-OE2 3.81Å; R493-E586 PolarHBondContact NH2-OE2 3.25Å; I533-E586 HydrophobicContact CD1-CG 3.74Å; I582-E586 WeakPolarHBondContact CA-OE2 3.31Å; I582-E586 HydrophobicContact CB-CB 3.81Å; I582-E586 HydrophobicContact CG2-CB 3.96Å; D583-E586 PolarHBondContact N-OE2 3.12Å; D583-E586 WeakPolarHBondContact O-CB 3.34Å; D583-E586 PolarHBondContact O-N 3.14Å; D584-E586 VanDerWaalsContact C-N 3.31Å; E586-R598 CarbonylContact C-O 3.53Å; E586-R598 VanDerWaalsContact CA-O 3.31Å; E586-R598 WeakPolarHBondContact CA-O 3.47Å; E586-K599 HydrophobicContact CG-CD 3.67Å; E586-K599 HydrophobicContact CG-CG 4.49Å; E586-K599 VanDerWaalsContact OE1-CE 3.27Å; E586-K599 WeakPolarHBondContact OE1-CE 3.48Å; E586-K599 IonicContact OE1-NZ 3.74Å; E586-K599 PolarHBondContact OE1-NZ 3.42Å |
| 587 | L | 96.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.073 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.8 | 176.1 | -61.8 | 173.2 | 0 | 0 | 0 | 109.2 | A391 V392 R598 | A391-L587 HydrophobicContact CB-CB 4.36Å; A391-L587 HydrophobicContact CB-CD1 4.29Å; V392-L587 WeakPolarHBondContact O-CA 3.41Å; L587-R598 HydrophobicContact CB-CG 4.18Å; L587-R598 PolarHBondContact N-O 3.43Å; L587-R598 PolarHBondContact O-N 3.08Å |
| 588 | V | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.1 | 167 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | A391 V392 L575 A578 L579 I582 V590 I595 R596 | A391-V588 CarbonylContact C-O 3.57Å; A391-V588 VanDerWaalsContact CA-O 3.23Å; A391-V588 WeakPolarHBondContact CA-O 3.29Å; V392-V588 HydrophobicContact CG2-CB 3.77Å; V392-V588 PolarHBondContact N-O 2.98Å; V392-V588 PolarHBondContact O-N 3.49Å; L575-V588 HydrophobicContact CD1-CG1 4.44Å; A578-V588 HydrophobicContact CB-CG1 3.82Å; A578-V588 HydrophobicContact CB-CG2 3.87Å; L579-V588 HydrophobicContact CD2-CG2 4.33Å; I582-V588 HydrophobicContact CB-CG2 4.49Å; I582-V588 HydrophobicContact CD1-CG2 3.78Å; I582-V588 HydrophobicContact CG1-CG2 4.02Å; I582-V588 HydrophobicContact CG2-CG2 3.69Å; V588-V590 HydrophobicContact CG1-CG2 3.81Å; V588-I595 HydrophobicContact CG1-CG2 3.63Å; V588-R596 CarbonylContact C-O 3.57Å; V588-R596 WeakPolarHBondContact CA-O 3.36Å |
| 589 | E | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.7 | 171 | 175.5 | -172.7 | 177.3 | 0 | 0 | 109 | N324 S326 Y529 T591 R596 | N324-E589 PolarHBondContact ND2-OE1 3.34Å; S326-E589 PolarHBondContact OG-OE1 3.39Å; Y529-E589 WeakPolarHBondContact CE1-OE2 3.21Å; Y529-E589 PolarHBondContact OH-OE2 3.05Å; E589-T591 HydrophobicContact CG-CG2 4.46Å; E589-R596 HydrophobicContact CB-CB 4.22Å; E589-R596 PolarHBondContact N-O 3.45Å; E589-R596 PolarHBondContact O-N 2.89Å; E589-R596 IonicContact OE1-NH1 2.83Å; E589-R596 PolarHBondContact OE1-NH1 3.23Å |
| 590 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.7 | -176 | -175.4 | 0 | 0 | 0 | 0 | 109 | I380 R384 E389 L390 V392 L575 V588 | I380-V590 HydrophobicContact CG2-CB 4.27Å; I380-V590 HydrophobicContact CG2-CG1 3.96Å; I380-V590 HydrophobicContact CG2-CG2 4Å; R384-V590 HydrophobicContact CB-CG1 4Å; R384-V590 VanDerWaalsContact CD-CG1 3.47Å; R384-V590 HydrophobicContact CG-CG1 3.76Å; E389-V590 VanDerWaalsContact CA-O 3.31Å; E389-V590 WeakPolarHBondContact CA-O 3.11Å; L390-V590 PolarHBondContact N-O 3.24Å; L390-V590 PolarHBondContact O-N 3.4Å; V392-V590 HydrophobicContact CG2-CG2 4.34Å; L575-V590 HydrophobicContact CD1-CG2 3.65Å; V588-V590 HydrophobicContact CG1-CG2 3.81Å |
| 591 | T | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.6 | 176.3 | 88.2 | 0 | 0 | 0 | 0 | 109.5 | E332 R384 E389 E589 T593 S594 | E332-T591 VanDerWaalsContact OE2-CB 3.29Å; E332-T591 WeakPolarHBondContact OE2-CB 3.48Å; E332-T591 WeakPolarHBondContact OE2-CG2 3.37Å; E332-T591 PolarHBondContact OE2-OG1 3.1Å; R384-T591 VanDerWaalsContact CD-O 3.24Å; R384-T591 WeakPolarHBondContact CD-O 3.29Å; R384-T591 WeakPolarHBondContact CG-O 3.16Å; E389-T591 HydrophobicContact CG-CG2 3.9Å; E589-T591 HydrophobicContact CG-CG2 4.46Å; T591-T593 PolarHBondContact O-N 3.01Å; T591-T593 PolarHBondContact OG1-N 3.12Å; T591-S594 PolarHBondContact N-O 3.25Å; T591-S594 PolarHBondContact O-N 3.18Å; T591-S594 VanDerWaalsContact O-O 3.06Å; T591-S594 WeakPolarHBondContact OG1-CB 3.48Å; T591-S594 PolarHBondContact OG1-N 3.16Å; T591-S594 PolarHBondContact OG1-O 3.06Å |
| 592 | P | 94 | Very high | 95 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31 | -177.6 | -28.4 | 38.8 | 0 | 0 | 0 | 114 | R384 F388 | R384-P592 PolarHBondContact NH1-O 3.35Å; R384-P592 VanDerWaalsContact O-CA 3.28Å; R384-P592 WeakPolarHBondContact O-CA 3.23Å; R384-P592 WeakPolarHBondContact O-CB 3.27Å; F388-P592 WeakPolarHBondContact O-CD 3.46Å |
| 593 | T | 93.5 | Very high | 95.2 | Very high | 100 Ų | 100 | 33.7 Ų | 33.7 | 61% | 0.613 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -6.2 | -174.8 | 54 | 0 | 0 | 0 | 0 | 114.1 | E332 T591 | E332-T593 VanDerWaalsContact CD-OG1 3.24Å; E332-T593 PolarHBondContact OE1-OG1 3.39Å; T591-T593 PolarHBondContact O-N 3.01Å; T591-T593 PolarHBondContact OG1-N 3.12Å |
| 594 | S | 93.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.2 | -172.8 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | E332 T591 | E332-S594 WeakPolarHBondContact OE2-CB 3.48Å; T591-S594 PolarHBondContact N-O 3.25Å; T591-S594 PolarHBondContact O-N 3.18Å; T591-S594 VanDerWaalsContact O-O 3.06Å; T591-S594 WeakPolarHBondContact OG1-CB 3.48Å; T591-S594 PolarHBondContact OG1-N 3.16Å; T591-S594 PolarHBondContact OG1-O 3.06Å |
| 595 | I | 96 | Very high | 95.6 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 26% | 0.256 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.6 | 170.1 | -61.3 | 166.7 | 0 | 0 | 0 | 106.3 | L575 A578 V588 | L575-I595 HydrophobicContact CB-CD1 3.82Å; A578-I595 HydrophobicContact CB-CG2 4.04Å; V588-I595 HydrophobicContact CG1-CG2 3.63Å |
| 596 | R | 96.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.4 | -180 | -57.2 | 174.6 | -164.9 | 114.3 | 11.8 | 108.8 | E332 V588 E589 | E332-R596 IonicContact OE1-NH2 2.99Å; E332-R596 PolarHBondContact OE1-NH2 2.96Å; E332-R596 IonicContact OE2-CZ 3.73Å; E332-R596 IonicContact OE2-NH1 3.65Å; E332-R596 IonicContact OE2-NH2 2.87Å; E332-R596 PolarHBondContact OE2-NH2 3.32Å; V588-R596 CarbonylContact C-O 3.57Å; V588-R596 WeakPolarHBondContact CA-O 3.36Å; E589-R596 HydrophobicContact CB-CB 4.22Å; E589-R596 PolarHBondContact N-O 3.45Å; E589-R596 PolarHBondContact O-N 2.89Å; E589-R596 IonicContact OE1-NH1 2.83Å; E589-R596 PolarHBondContact OE1-NH1 3.23Å |
| 597 | I | 97.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.4 | 176.8 | -53.9 | -175.7 | 0 | 0 | 0 | 107.5 | Q532 I533 M573 A578 F581 I582 | Q532-I597 WeakPolarHBondContact CG-O 3.23Å; I533-I597 HydrophobicContact CB-CB 4.24Å; I533-I597 HydrophobicContact CB-CG2 4.2Å; I533-I597 HydrophobicContact CD1-CG2 3.69Å; I533-I597 HydrophobicContact CG1-CG2 4.45Å; I533-I597 PolarHBondContact N-O 3.02Å; M573-I597 HydrophobicContact SD-CD1 3.58Å; M573-I597 VanDerWaalsContact SD-CD1 3.58Å; A578-I597 HydrophobicContact CB-CD1 3.8Å; A578-I597 HydrophobicContact CB-CG1 4.18Å; F581-I597 HydrophobicContact CD1-CD1 3.59Å; F581-I597 HydrophobicContact CD1-CG2 4.43Å; F581-I597 HydrophobicContact CE1-CD1 4.15Å; F581-I597 HydrophobicContact CE1-CG2 4.49Å; F581-I597 HydrophobicContact CG-CD1 4.47Å; I582-I597 HydrophobicContact CG2-CD1 4.43Å; I582-I597 HydrophobicContact CG2-CG2 3.4Å; I582-I597 VanDerWaalsContact CG2-CG2 3.4Å |
| 598 | R | 97.5 | Very high | 95.2 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.1 | -179 | 59 | 171.6 | -73.8 | -177.7 | -10 | 110.9 | Y529 G531 E586 L587 R600 L602 | Y529-R598 HydrophobicContact CE2-CB 4.36Å; Y529-R598 WeakPolarHBondContact OH-CB 3.27Å; Y529-R598 WeakPolarHBondContact OH-CD 3.41Å; G531-R598 WeakPolarHBondContact O-CA 3.37Å; E586-R598 CarbonylContact C-O 3.53Å; E586-R598 VanDerWaalsContact CA-O 3.31Å; E586-R598 WeakPolarHBondContact CA-O 3.47Å; L587-R598 HydrophobicContact CB-CG 4.18Å; L587-R598 PolarHBondContact N-O 3.43Å; L587-R598 PolarHBondContact O-N 3.08Å; R598-R600 PolarHBondContact NH2-O 3.26Å; R598-L602 HydrophobicContact CB-CD2 4.44Å; R598-L602 VanDerWaalsContact NE-CD2 3.28Å |
| 599 | K | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 149 | 163.3 | -71.6 | -78.6 | -179.7 | -173.3 | 0 | 110 | I499 G531 I533 D542 D585 E586 H601 | I499-K599 HydrophobicContact CD1-CD 4.41Å; I499-K599 HydrophobicContact CD1-CG 3.87Å; I499-K599 HydrophobicContact CG1-CG 4.29Å; G531-K599 PolarHBondContact O-N 3.42Å; I533-K599 HydrophobicContact CD1-CG 4.43Å; D542-K599 WeakPolarHBondContact OD2-CE 3.42Å; D542-K599 IonicContact OD2-NZ 2.85Å; D542-K599 PolarHBondContact OD2-NZ 3.4Å; D585-K599 CarbonylContact O-C 3.51Å; D585-K599 IonicContact OD1-NZ 3.44Å; D585-K599 PolarHBondContact OD1-NZ 3.45Å; D585-K599 WeakPolarHBondContact OD2-CD 3.43Å; D585-K599 WeakPolarHBondContact OD2-CE 3.49Å; D585-K599 IonicContact OD2-NZ 2.67Å; D585-K599 PolarHBondContact OD2-NZ 2.9Å; E586-K599 HydrophobicContact CG-CD 3.67Å; E586-K599 HydrophobicContact CG-CG 4.49Å; E586-K599 VanDerWaalsContact OE1-CE 3.27Å; E586-K599 WeakPolarHBondContact OE1-CE 3.48Å; E586-K599 IonicContact OE1-NZ 3.74Å; E586-K599 PolarHBondContact OE1-NZ 3.42Å; K599-H601 VanDerWaalsContact C-N 3.3Å; K599-H601 WeakPolarHBondContact CB-O 3.48Å |
| 600 | R | 94.5 | Very high | 94.4 | Very high | 117 Ų | 117 | 56 Ų | 56 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -56 | -49.7 | 171.1 | -172.9 | -178.3 | -63.8 | -142.2 | 3.9 | 109.5 | D584 D585 R598 | D584-R600 PolarHBondContact O-NH2 2.78Å; D585-R600 WeakPolarHBondContact O-CB 3.41Å; D585-R600 PolarHBondContact O-N 2.94Å; R598-R600 PolarHBondContact NH2-O 3.26Å |
| 601 | H | 95.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 62.2 Ų | 62.2 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -92.5 | 113.6 | 171.1 | -58.1 | -63.5 | 0 | 0 | 0 | 111.1 | K599 D606 R607 A610 | K599-H601 VanDerWaalsContact C-N 3.3Å; K599-H601 WeakPolarHBondContact CB-O 3.48Å; H601-D606 HydrophobicContact CB-CB 3.9Å; H601-R607 HydrophobicContact CB-CG 3.79Å; H601-R607 VanDerWaalsContact O-CG 3.29Å; H601-R607 WeakPolarHBondContact O-CG 3.32Å; H601-R607 PolarHBondContact O-NH1 2.9Å; H601-A610 WeakPolarHBondContact NE2-CB 3.32Å |
| 602 | L | 96 | Very high | 92.9 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | trans | -70.2 | -45.2 | -174.2 | -66.9 | -176.8 | 0 | 0 | 0 | 113.3 | P327 Y529 E530 G531 R598 R607 | P327-L602 HydrophobicContact CG-CD1 4.42Å; Y529-L602 HydrophobicContact CD2-CD2 4.39Å; Y529-L602 HydrophobicContact CE2-CD2 3.84Å; E530-L602 WeakPolarHBondContact O-CD2 3.26Å; G531-L602 WeakPolarHBondContact CA-O 3.45Å; G531-L602 PolarHBondContact N-O 2.91Å; R598-L602 HydrophobicContact CB-CD2 4.44Å; R598-L602 VanDerWaalsContact NE-CD2 3.28Å; L602-R607 PolarHBondContact O-NH1 3.3Å | ||
| 603 | T | 95.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -80 | 146.6 | -178 | 82.1 | 0 | 0 | 0 | 0 | 111 | E530 N605 D606 R607 | E530-T603 WeakPolarHBondContact OE1-CA 3.43Å; T603-N605 PolarHBondContact O-N 3.21Å; T603-D606 PolarHBondContact O-N 3.24Å; T603-D606 WeakPolarHBondContact OG1-CB 3.26Å; T603-D606 PolarHBondContact OG1-N 2.88Å; T603-D606 VanDerWaalsContact OG1-N 3.08Å; T603-D606 PolarHBondContact OG1-OD2 3.17Å; T603-R607 PolarHBondContact O-N 3.11Å; T603-R607 PolarHBondContact O-NH1 3.26Å |
| 604 | E | 93.4 | Very high | 89.8 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 177 | -166.8 | -176.3 | 164.2 | 0 | 0 | 112.1 | R607 R608 | E604-R607 PolarHBondContact O-N 3.21Å; E604-R608 WeakPolarHBondContact O-CG 3.35Å; E604-R608 PolarHBondContact O-N 3.27Å; E604-R608 VanDerWaalsContact O-N 3.07Å; E604-R608 IonicContact OE1-CZ 2.77Å; E604-R608 IonicContact OE1-NE 3.51Å; E604-R608 PolarHBondContact OE1-NE 3.22Å; E604-R608 IonicContact OE1-NH2 3.44Å; E604-R608 PolarHBondContact OE1-NH2 2.77Å |
| 605 | N | 94.2 | Very high | 87.8 | Confident | 120 Ų | 120 | 81.2 Ų | 81.2 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 177.9 | -73.2 | -28.1 | 0 | 0 | 0 | 112 | T603 R608 R609 | T603-N605 PolarHBondContact O-N 3.21Å; N605-R608 PolarHBondContact O-N 3.47Å; N605-R609 WeakPolarHBondContact O-CB 3.43Å; N605-R609 PolarHBondContact O-N 2.74Å |
| 606 | D | 93.3 | Very high | 85 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 178.7 | -65.1 | -34.6 | 0 | 0 | 0 | 111.4 | H601 T603 R608 R609 A610 | H601-D606 HydrophobicContact CB-CB 3.9Å; T603-D606 PolarHBondContact O-N 3.24Å; T603-D606 WeakPolarHBondContact OG1-CB 3.26Å; T603-D606 PolarHBondContact OG1-N 2.88Å; T603-D606 VanDerWaalsContact OG1-N 3.08Å; T603-D606 PolarHBondContact OG1-OD2 3.17Å; D606-R608 PolarHBondContact O-N 2.89Å; D606-R609 WeakPolarHBondContact O-CB 3.36Å; D606-R609 PolarHBondContact O-N 3.04Å; D606-R609 VanDerWaalsContact O-N 3.16Å; D606-A610 PolarHBondContact O-N 2.95Å |
| 607 | R | 92.7 | Very high | 81.9 | Confident | 20 Ų | 20 | 96 Ų | 96 | 8% | 0.075 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 171.7 | -71.6 | -168.4 | -64.8 | -80.4 | 5.3 | 112.1 | T544 H601 L602 T603 E604 R609 A610 N611 | T544-R607 PolarHBondContact OG1-NH2 3.36Å; H601-R607 HydrophobicContact CB-CG 3.79Å; H601-R607 VanDerWaalsContact O-CG 3.29Å; H601-R607 WeakPolarHBondContact O-CG 3.32Å; H601-R607 PolarHBondContact O-NH1 2.9Å; L602-R607 PolarHBondContact O-NH1 3.3Å; T603-R607 PolarHBondContact O-N 3.11Å; T603-R607 PolarHBondContact O-NH1 3.26Å; E604-R607 PolarHBondContact O-N 3.21Å; R607-R609 VanDerWaalsContact C-N 3.26Å; R607-R609 PolarHBondContact O-N 2.92Å; R607-A610 PolarHBondContact O-N 3.03Å; R607-N611 PolarHBondContact O-N 3.02Å |
| 608 | R | 90.6 | Very high | 81.1 | Confident | 138 Ų | 138 | 100.3 Ų | 100.3 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 177.3 | -71.8 | 176.4 | -177.2 | -165.6 | 2.1 | 112.3 | E604 N605 D606 R612 | E604-R608 WeakPolarHBondContact O-CG 3.35Å; E604-R608 PolarHBondContact O-N 3.27Å; E604-R608 VanDerWaalsContact O-N 3.07Å; E604-R608 IonicContact OE1-CZ 2.77Å; E604-R608 IonicContact OE1-NE 3.51Å; E604-R608 PolarHBondContact OE1-NE 3.22Å; E604-R608 IonicContact OE1-NH2 3.44Å; E604-R608 PolarHBondContact OE1-NH2 2.77Å; N605-R608 PolarHBondContact O-N 3.47Å; D606-R608 PolarHBondContact O-N 2.89Å; R608-R612 WeakPolarHBondContact O-CG 3.39Å |
| 609 | R | 90.7 | Very high | 80.3 | Confident | 191 Ų | 191 | 105.2 Ų | 105.2 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.7 | -44.3 | 176.7 | -171.2 | 178.1 | 179.7 | -177 | -1.6 | 111.4 | N605 D606 R607 R612 | N605-R609 WeakPolarHBondContact O-CB 3.43Å; N605-R609 PolarHBondContact O-N 2.74Å; D606-R609 WeakPolarHBondContact O-CB 3.36Å; D606-R609 PolarHBondContact O-N 3.04Å; D606-R609 VanDerWaalsContact O-N 3.16Å; R607-R609 VanDerWaalsContact C-N 3.26Å; R607-R609 PolarHBondContact O-N 2.92Å; R609-R612 PolarHBondContact O-N 3.48Å |
| 610 | A | 87.5 | Confident | 79.4 | Confident | 38 Ų | 38 | 110.9 Ų | 110.9 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H601 D606 R607 R612 A613 | H601-A610 WeakPolarHBondContact NE2-CB 3.32Å; D606-A610 PolarHBondContact O-N 2.95Å; R607-A610 PolarHBondContact O-N 3.03Å; A610-R612 PolarHBondContact O-N 3.09Å; A610-R612 VanDerWaalsContact O-N 3.09Å; A610-A613 WeakPolarHBondContact O-CB 3.47Å; A610-A613 PolarHBondContact O-N 2.89Å |
| 611 | N | 81.9 | Confident | 78.5 | Confident | 130 Ų | 130 | 110.5 Ų | 110.5 | 70% | 0.695 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13 | 177.4 | -74.2 | -12.4 | 0 | 0 | 0 | 114.6 | R607 | R607-N611 PolarHBondContact O-N 3.02Š|
| 612 | R | 79.5 | Confident | 77.4 | Confident | 215 Ų | 215 | 112.6 Ų | 112.6 | 81% | 0.811 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -13.9 | 175.7 | -72.2 | 175.4 | -179.5 | -174 | 0.3 | 113.2 | R608 R609 A610 | R608-R612 WeakPolarHBondContact O-CG 3.39Å; R609-R612 PolarHBondContact O-N 3.48Å; A610-R612 PolarHBondContact O-N 3.09Å; A610-R612 VanDerWaalsContact O-N 3.09Å |
| 613 | A | 69.8 | Low | 76.2 | Confident | 59 Ų | 59 | 117.8 Ų | 117.8 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -71 | 142.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A610 K615 | A610-A613 WeakPolarHBondContact O-CB 3.47Å; A610-A613 PolarHBondContact O-N 2.89Å; A613-K615 PolarHBondContact O-N 3.02Å |
| 614 | P | 52.8 | Low | 74.8 | Confident | 109 Ų | 109 | 123.4 Ų | 123.4 | 71% | 0.708 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 135.7 | 168.7 | 24.3 | -30.3 | 0 | 0 | 0 | 108.7 | D616 | P614-D616 PolarHBondContact O-N 3.12Š|
| 615 | K | 51.8 | Low | 73.4 | Confident | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118 | 170.4 | -69.5 | -176.8 | 176.9 | -175.6 | 0 | 106.7 | A613 D617 | A613-K615 PolarHBondContact O-N 3.02Å; K615-D617 PolarHBondContact O-N 3.15Å |
| 616 | D | 38.2 | Very low | 71.6 | Confident | 157 Ų | 157 | 128.3 Ų | 128.3 | 84% | 0.84 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 122.7 | 165.2 | -70.1 | -33.9 | 0 | 0 | 0 | 107.2 | P614 | P614-D616 PolarHBondContact O-N 3.12Š|
| 617 | D | 30.8 | Very low | 69.7 | Low | 229 Ų | 229 | 133.7 Ų | 133.7 | 100% | 1.225 | 66% | 0.655 | S | S | * | * | trans | -70.7 | 0 | -178.3 | -88.5 | -26.4 | 0 | 0 | 0 | 113.4 | K615 | K615-D617 PolarHBondContact O-N 3.15Š|
Retrieved 617 of 617 residues in 988.8 ms
(Link to these results)