| 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 | 32.6 | Very low | 42.8 | Very low | 240 Ų | 240 | 109.7 Ų | 109.7 | 100% | 1.182 | 66% | 0.66 | S | S | * | * | 0 | 110.8 | 0 | -82.2 | 166.7 | -176.4 | 0 | 0 | 106.9 | L3 | M1-L3 PolarHBondContact O-N 3.31Š| |||
| 2 | S | 30.6 | Very low | 44.2 | Very low | 111 Ų | 111 | 101.8 Ų | 101.8 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | trans | -60.7 | 124.8 | 166.4 | 171.4 | 0 | 0 | 0 | 0 | 107 | A4 | S2-A4 PolarHBondContact O-N 2.79Š| ||
| 3 | L | 36.6 | Very low | 47 | Very low | 167 Ų | 167 | 99.5 Ų | 99.5 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | trans | -67.8 | 71.9 | 166.2 | -82.8 | 155.3 | 0 | 0 | 0 | 107.6 | M1 | M1-L3 PolarHBondContact O-N 3.31Š| ||
| 4 | A | 37.3 | Very low | 50.3 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 126.6 | 167 | 0 | 0 | 0 | 0 | 0 | 107.2 | S2 | S2-A4 PolarHBondContact O-N 2.79Š|
| 5 | G | 45.4 | Very low | 53.3 | Low | 24 Ų | 24 | 86.2 Ų | 86.2 | 25% | 0.247 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | 4.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y7 | G5-Y7 PolarHBondContact O-N 2.94Å; G5-Y7 VanDerWaalsContact O-N 3.11Å |
| 6 | A | 45.5 | Very low | 56.1 | Low | 57 Ų | 57 | 80.9 Ų | 80.9 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | trans | -69.4 | 109 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S8 | A6-S8 PolarHBondContact O-N 3.38Š| ||
| 7 | Y | 46.8 | Very low | 58.5 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | trans | -64.1 | 104.2 | 170.4 | -167.2 | -98.2 | 0 | 0 | 0 | 108.1 | G5 V12 P135 P163 | G5-Y7 PolarHBondContact O-N 2.94Å; G5-Y7 VanDerWaalsContact O-N 3.11Å; Y7-V12 HydrophobicContact CD1-CG2 3.84Å; Y7-V12 HydrophobicContact CE1-CB 4.36Å; Y7-V12 HydrophobicContact CE1-CG1 3.91Å; Y7-V12 HydrophobicContact CE1-CG2 3.52Å; Y7-P135 HydrophobicContact CE1-CG 3.95Å; Y7-P163 HydrophobicContact CE2-CB 4.48Å | ||
| 8 | S | 47.1 | Very low | 60.7 | Low | 107 Ų | 107 | 72.2 Ų | 72.2 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | trans | -114.3 | 44.5 | -168.9 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | A6 | A6-S8 PolarHBondContact O-N 3.38Š| ||
| 9 | G | 48 | Very low | 62.6 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | trans | -81.3 | 120.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | D11 V12 | G9-D11 PolarHBondContact O-N 3.46Å; G9-V12 WeakPolarHBondContact O-CG2 3.49Å | ||
| 10 | D | 47.8 | Very low | 64.2 | Low | 163 Ų | 163 | 66.6 Ų | 66.6 | 87% | 0.872 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.3 | 171.4 | -75.5 | -29.5 | 0 | 0 | 0 | 112 | ||
| 11 | D | 53 | Low | 65.6 | Low | 159 Ų | 159 | 65.8 Ų | 65.8 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 58.8 | 178.1 | -75.4 | -37.4 | 0 | 0 | 0 | 112 | G9 N13 | G9-D11 PolarHBondContact O-N 3.46Å; D11-N13 PolarHBondContact O-N 3.32Å |
| 12 | V | 59.9 | Low | 68.4 | Low | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.085 | 36% | 0.358 | C | S | . | . | trans | -73.8 | 95.1 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 111 | Y7 G9 A14 P135 Q444 W447 | Y7-V12 HydrophobicContact CD1-CG2 3.84Å; Y7-V12 HydrophobicContact CE1-CB 4.36Å; Y7-V12 HydrophobicContact CE1-CG1 3.91Å; Y7-V12 HydrophobicContact CE1-CG2 3.52Å; G9-V12 WeakPolarHBondContact O-CG2 3.49Å; V12-A14 HydrophobicContact CG1-CB 4.04Å; V12-A14 PolarHBondContact O-N 3.08Å; V12-P135 HydrophobicContact CG1-CG 3.18Å; V12-Q444 VanDerWaalsContact CG2-CD 3.4Å; V12-W447 HydrophobicContact CG1-CZ2 4.39Å | ||
| 13 | N | 81 | Confident | 71.5 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | trans | -76.7 | 68 | 166.1 | -168.2 | 1.6 | 0 | 0 | 0 | 110 | D11 Y28 K134 | D11-N13 PolarHBondContact O-N 3.32Å; N13-Y28 WeakPolarHBondContact OD1-CD1 3.47Å; N13-K134 PolarHBondContact ND2-NZ 2.85Å; N13-K134 VanDerWaalsContact ND2-NZ 3.2Å; N13-K134 WeakPolarHBondContact O-CD 3.32Å | ||
| 14 | A | 92.6 | Very high | 74.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -66.7 | 148.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V12 L16 S29 P135 W447 | V12-A14 HydrophobicContact CG1-CB 4.04Å; V12-A14 PolarHBondContact O-N 3.08Å; A14-L16 HydrophobicContact CB-CD2 4.32Å; A14-S29 PolarHBondContact O-N 3.45Å; A14-P135 CarbonylContact C-O 3.59Å; A14-P135 VanDerWaalsContact CA-O 3.32Å; A14-P135 WeakPolarHBondContact CA-O 3.31Å; A14-P135 HydrophobicContact CB-CG 3.94Å; A14-W447 HydrophobicContact CB-CH2 3.74Å; A14-W447 HydrophobicContact CB-CZ2 3.82Å | ||
| 15 | L | 95.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.9 | 169.1 | -56.2 | -172.5 | 0 | 0 | 0 | 109.3 | F17 Y28 F123 F127 H131 K134 P135 I136 F137 | L15-F17 HydrophobicContact CB-CE2 3.91Å; L15-Y28 HydrophobicContact CD2-CD1 3.64Å; L15-Y28 HydrophobicContact CD2-CE1 3.52Å; L15-F123 HydrophobicContact CD1-CD1 4.35Å; L15-F123 HydrophobicContact CD1-CE1 4.11Å; L15-F127 HydrophobicContact CB-CZ 4.25Å; L15-F127 HydrophobicContact CD1-CD1 4.33Å; L15-F127 HydrophobicContact CD1-CD2 4Å; L15-F127 HydrophobicContact CD1-CE2 4.22Å; L15-F127 HydrophobicContact CD1-CG 4.03Å; L15-F127 HydrophobicContact CD1-CZ 4.49Å; L15-F127 HydrophobicContact CD2-CD1 3.7Å; L15-F127 HydrophobicContact CD2-CE1 3.66Å; L15-F127 HydrophobicContact CD2-CG 4.24Å; L15-F127 HydrophobicContact CD2-CZ 4.15Å; L15-F127 HydrophobicContact CG-CE1 4.49Å; L15-H131 HydrophobicContact CD1-CB 3.72Å; L15-K134 HydrophobicContact CD2-CD 3.75Å; L15-K134 HydrophobicContact CG-CB 4.08Å; L15-K134 HydrophobicContact CG-CD 4.05Å; L15-P135 PolarHBondContact N-O 3.25Å; L15-I136 HydrophobicContact CB-CG1 4.38Å; L15-I136 WeakPolarHBondContact O-CA 3.36Å; L15-F137 PolarHBondContact O-N 3.48Å |
| 16 | L | 97.1 | Very high | 79.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.5 | -177.8 | -51.6 | -175.4 | 0 | 0 | 0 | 110.2 | A14 L26 G27 F137 Y431 A434 T438 | A14-L16 HydrophobicContact CB-CD2 4.32Å; L16-L26 WeakPolarHBondContact O-CA 3.48Å; L16-L26 WeakPolarHBondContact O-CB 3.42Å; L16-G27 PolarHBondContact N-O 2.84Å; L16-G27 PolarHBondContact O-N 3.45Å; L16-G27 VanDerWaalsContact O-N 3.09Å; L16-F137 HydrophobicContact CD2-CB 3.55Å; L16-F137 HydrophobicContact CD2-CG 4.17Å; L16-Y431 HydrophobicContact CB-CD2 4.19Å; L16-Y431 HydrophobicContact CB-CE2 3.61Å; L16-Y431 HydrophobicContact CD1-CE1 4.24Å; L16-Y431 HydrophobicContact CD1-CE2 4.07Å; L16-Y431 HydrophobicContact CG-CE2 4.45Å; L16-A434 HydrophobicContact CD1-CB 4.29Å; L16-T438 HydrophobicContact CD2-CG2 3.91Å |
| 17 | F | 97.8 | Very high | 82 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | 175.3 | -65.2 | -96.3 | 0 | 0 | 0 | 110.1 | L15 P19 F24 L26 M119 C122 F123 F127 I136 F137 F138 T139 | L15-F17 HydrophobicContact CB-CE2 3.91Å; F17-P19 WeakPolarHBondContact O-CD 3.48Å; F17-F24 HydrophobicContact CB-CZ 4.43Å; F17-F24 AromaticContact CD1-CE1 3.89Å; F17-F24 HydrophobicContact CD1-CE1 3.89Å; F17-F24 AromaticContact CD1-CZ 3.68Å; F17-F24 HydrophobicContact CD1-CZ 3.68Å; F17-F24 HydrophobicContact CE1-CE1 4.49Å; F17-F24 HydrophobicContact CE1-CZ 4.5Å; F17-L26 HydrophobicContact CD1-CB 4Å; F17-L26 HydrophobicContact CE1-CB 4.32Å; F17-M119 HydrophobicContact CD1-CE 4.31Å; F17-M119 HydrophobicContact CD1-SD 4.11Å; F17-M119 HydrophobicContact CE1-CE 4.23Å; F17-M119 HydrophobicContact CE1-SD 3.79Å; F17-M119 HydrophobicContact CZ-SD 4.3Å; F17-C122 HydrophobicContact CE1-CB 4.04Å; F17-F123 HydrophobicContact CE2-CE1 4.12Å; F17-F123 HydrophobicContact CZ-CD1 4.32Å; F17-F123 AromaticContact CZ-CE1 3.6Å; F17-F123 HydrophobicContact CZ-CE1 3.6Å; F17-F123 HydrophobicContact CZ-CZ 4.17Å; F17-F127 AromaticContact CE1-CE2 3.89Å; F17-F127 HydrophobicContact CE1-CE2 3.89Å; F17-F127 HydrophobicContact CE2-CE2 4.14Å; F17-F127 HydrophobicContact CZ-CD2 4.22Å; F17-F127 AromaticContact CZ-CE2 3.49Å; F17-F127 HydrophobicContact CZ-CE2 3.49Å; F17-F127 VanDerWaalsContact CZ-CE2 3.49Å; F17-F127 HydrophobicContact CZ-CZ 4.37Å; F17-I136 HydrophobicContact CD2-CG2 3.68Å; F17-I136 HydrophobicContact CE2-CD1 4.2Å; F17-I136 HydrophobicContact CE2-CG2 3.75Å; F17-F137 PolarHBondContact N-O 2.92Å; F17-F138 HydrophobicContact CB-CD1 3.59Å; F17-F138 HydrophobicContact CB-CD2 3.85Å; F17-F138 HydrophobicContact CB-CE1 3.3Å; F17-F138 HydrophobicContact CB-CE2 3.64Å; F17-F138 HydrophobicContact CB-CG 3.85Å; F17-F138 HydrophobicContact CB-CZ 3.35Å; F17-F138 HydrophobicContact CD1-CE1 4.37Å; F17-F138 HydrophobicContact CD1-CE2 4.38Å; F17-F138 AromaticContact CD1-CZ 3.85Å; F17-F138 HydrophobicContact CD1-CZ 3.85Å; F17-F138 HydrophobicContact CD2-CD2 4.08Å; F17-F138 AromaticContact CD2-CE2 3.53Å; F17-F138 HydrophobicContact CD2-CE2 3.53Å; F17-F138 AromaticContact CD2-CZ 3.86Å; F17-F138 HydrophobicContact CD2-CZ 3.86Å; F17-F138 HydrophobicContact CE2-CE2 4.23Å; F17-F138 HydrophobicContact CG-CD2 4.22Å; F17-F138 AromaticContact CG-CE1 3.92Å; F17-F138 HydrophobicContact CG-CE1 3.92Å; F17-F138 AromaticContact CG-CE2 3.6Å; F17-F138 HydrophobicContact CG-CE2 3.6Å; F17-F138 AromaticContact CG-CZ 3.42Å; F17-F138 HydrophobicContact CG-CZ 3.42Å; F17-F138 VanDerWaalsContact CG-CZ 3.42Å; F17-F138 CarbonylContact O-C 3.59Å; F17-F138 WeakPolarHBondContact O-CA 3.45Å; F17-T139 PolarHBondContact O-N 3.38Å |
| 18 | D | 97.3 | Very high | 84.3 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 83.7 | -179.1 | 178.1 | 15.3 | 0 | 0 | 0 | 110.1 | G20 R25 T139 Y431 | D18-G20 PolarHBondContact O-N 3.34Å; D18-R25 HydrophobicContact CB-CB 4.06Å; D18-R25 VanDerWaalsContact CG-CZ 3.42Å; D18-R25 PolarHBondContact N-O 3.2Å; D18-R25 PolarHBondContact O-N 2.98Å; D18-R25 PolarHBondContact O-NH2 2.91Å; D18-R25 IonicContact OD1-CZ 3.58Å; D18-R25 IonicContact OD1-NH1 3.23Å; D18-R25 IonicContact OD1-NH2 2.8Å; D18-R25 PolarHBondContact OD1-NH2 2.85Å; D18-R25 IonicContact OD2-CZ 3.74Å; D18-R25 IonicContact OD2-NE 3.75Å; D18-R25 IonicContact OD2-NH1 2.59Å; D18-R25 PolarHBondContact OD2-NH1 3.38Å; D18-R25 IonicContact OD2-NH2 2.49Å; D18-R25 PolarHBondContact OD2-NH2 2.71Å; D18-R25 VanDerWaalsContact OD2-NH2 3.09Å; D18-T139 WeakPolarHBondContact CA-OG1 3.4Å; D18-T139 HydrophobicContact CB-CG2 3.82Å; D18-T139 PolarHBondContact OD1-OG1 2.7Å; D18-Y431 HydrophobicContact CB-CD2 4.21Å; D18-Y431 WeakPolarHBondContact OD2-CB 3.32Å; D18-Y431 PolarHBondContact OD2-N 3.45Å |
| 19 | P | 96.6 | Very high | 86.4 | Confident | 20 Ų | 20 | 32.9 Ų | 32.9 | 13% | 0.13 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 99 | 177.5 | 26.8 | -33.1 | 0 | 0 | 0 | 111.5 | F17 F24 L104 F138 | F17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-F24 HydrophobicContact CB-CD2 3.79Å; P19-F24 HydrophobicContact CB-CE2 3.79Å; P19-L104 HydrophobicContact CB-CD1 4.01Å; P19-L104 HydrophobicContact CB-CD2 4.25Å; P19-L104 WeakPolarHBondContact O-CD1 3.44Å; P19-F138 HydrophobicContact CG-CD1 4.18Å |
| 20 | G | 94.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | trans | -94.6 | 158.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D18 S22 T23 S40 L104 | D18-G20 PolarHBondContact O-N 3.34Å; G20-S22 VanDerWaalsContact C-N 3.27Å; G20-S22 PolarHBondContact O-N 2.9Å; G20-T23 WeakPolarHBondContact CA-O 3.45Å; G20-T23 PolarHBondContact N-O 3.13Å; G20-S40 VanDerWaalsContact O-CB 3.24Å; G20-S40 WeakPolarHBondContact O-CB 3.48Å; G20-S40 PolarHBondContact O-OG 3.34Å; G20-L104 WeakPolarHBondContact O-CD1 3.46Å | ||
| 21 | N | 93.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -68 | -24.4 | 177.6 | -75.3 | -71.1 | 0 | 0 | 0 | 113.8 | S40 G107 S191 | N21-S40 WeakPolarHBondContact O-CB 3.39Å; N21-G107 PolarHBondContact OD1-N 2.88Å; N21-S191 PolarHBondContact ND2-OG 3.05Å |
| 22 | S | 93.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 25.5 Ų | 25.5 | 43% | 0.427 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -103.7 | -40.2 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | G20 S40 | G20-S22 VanDerWaalsContact C-N 3.27Å; G20-S22 PolarHBondContact O-N 2.9Å; S22-S40 PolarHBondContact O-N 3.21Å |
| 23 | T | 94.9 | Very high | 94 | Very high | 39 Ų | 39 | 28 Ų | 28 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.6 | -177 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | G20 R25 L38 S40 | G20-T23 WeakPolarHBondContact CA-O 3.45Å; G20-T23 PolarHBondContact N-O 3.13Å; T23-R25 PolarHBondContact O-NE 3.16Å; T23-R25 VanDerWaalsContact O-NE 3.11Å; T23-R25 PolarHBondContact OG1-NE 3.36Å; T23-L38 CarbonylContact C-O 3.59Å; T23-L38 WeakPolarHBondContact CA-O 3.33Å; T23-S40 WeakPolarHBondContact CA-OG 3.4Å; T23-S40 PolarHBondContact N-OG 2.78Å |
| 24 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.3 | 170.3 | -174.8 | -90.8 | 0 | 0 | 0 | 108.4 | F17 P19 L26 L38 S40 L103 F115 L118 M119 F138 | F17-F24 HydrophobicContact CB-CZ 4.43Å; F17-F24 AromaticContact CD1-CE1 3.89Å; F17-F24 HydrophobicContact CD1-CE1 3.89Å; F17-F24 AromaticContact CD1-CZ 3.68Å; F17-F24 HydrophobicContact CD1-CZ 3.68Å; F17-F24 HydrophobicContact CE1-CE1 4.49Å; F17-F24 HydrophobicContact CE1-CZ 4.5Å; P19-F24 HydrophobicContact CB-CD2 3.79Å; P19-F24 HydrophobicContact CB-CE2 3.79Å; F24-L26 HydrophobicContact CD1-CD2 3.75Å; F24-L26 HydrophobicContact CE1-CD2 3.73Å; F24-L38 HydrophobicContact CB-CB 4.25Å; F24-L38 HydrophobicContact CD1-CD1 4.26Å; F24-L38 PolarHBondContact N-O 3.17Å; F24-L38 PolarHBondContact O-N 3.05Å; F24-S40 PolarHBondContact N-OG 3.41Å; F24-S40 VanDerWaalsContact N-OG 3.13Å; F24-L103 HydrophobicContact CB-CD2 4.4Å; F24-L103 HydrophobicContact CD2-CD2 3.39Å; F24-L103 HydrophobicContact CE2-CD2 3.94Å; F24-L103 HydrophobicContact CG-CD2 4.14Å; F24-F115 HydrophobicContact CE2-CE2 4.27Å; F24-L118 HydrophobicContact CD1-CD2 4.43Å; F24-L118 HydrophobicContact CD2-CD2 4.4Å; F24-L118 HydrophobicContact CE1-CD2 4.34Å; F24-L118 HydrophobicContact CE2-CD2 4.32Å; F24-L118 HydrophobicContact CG-CD2 4.47Å; F24-L118 HydrophobicContact CZ-CD2 4.3Å; F24-M119 HydrophobicContact CE1-CE 4Å; F24-M119 HydrophobicContact CE2-CE 4.23Å; F24-M119 HydrophobicContact CZ-CE 3.41Å; F24-M119 VanDerWaalsContact CZ-CE 3.41Å; F24-F138 HydrophobicContact CZ-CE1 4.49Å |
| 25 | R | 97.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.1 | -170.2 | -73.7 | 151.2 | -76.3 | 147.1 | 26.3 | 109.5 | D18 T23 P34 Y36 Y37 T427 | D18-R25 HydrophobicContact CB-CB 4.06Å; D18-R25 VanDerWaalsContact CG-CZ 3.42Å; D18-R25 PolarHBondContact N-O 3.2Å; D18-R25 PolarHBondContact O-N 2.98Å; D18-R25 PolarHBondContact O-NH2 2.91Å; D18-R25 IonicContact OD1-CZ 3.58Å; D18-R25 IonicContact OD1-NH1 3.23Å; D18-R25 IonicContact OD1-NH2 2.8Å; D18-R25 PolarHBondContact OD1-NH2 2.85Å; D18-R25 IonicContact OD2-CZ 3.74Å; D18-R25 IonicContact OD2-NE 3.75Å; D18-R25 IonicContact OD2-NH1 2.59Å; D18-R25 PolarHBondContact OD2-NH1 3.38Å; D18-R25 IonicContact OD2-NH2 2.49Å; D18-R25 PolarHBondContact OD2-NH2 2.71Å; D18-R25 VanDerWaalsContact OD2-NH2 3.09Å; T23-R25 PolarHBondContact O-NE 3.16Å; T23-R25 VanDerWaalsContact O-NE 3.11Å; T23-R25 PolarHBondContact OG1-NE 3.36Å; R25-P34 HydrophobicContact CB-CB 3.96Å; R25-P34 HydrophobicContact CB-CG 3.88Å; R25-P34 HydrophobicContact CG-CB 4.34Å; R25-P34 HydrophobicContact CG-CG 4.05Å; R25-Y36 WeakPolarHBondContact CA-O 3.45Å; R25-Y37 HydrophobicContact CG-CD1 3.69Å; R25-Y37 HydrophobicContact CG-CE1 3.91Å; R25-T427 PolarHBondContact NH1-O 3.08Å |
| 26 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157 | 177.7 | 59.8 | 126.5 | 0 | 0 | 0 | 112.4 | L16 F17 F24 K35 Y36 L38 C126 F127 | L16-L26 WeakPolarHBondContact O-CA 3.48Å; L16-L26 WeakPolarHBondContact O-CB 3.42Å; F17-L26 HydrophobicContact CD1-CB 4Å; F17-L26 HydrophobicContact CE1-CB 4.32Å; F24-L26 HydrophobicContact CD1-CD2 3.75Å; F24-L26 HydrophobicContact CE1-CD2 3.73Å; L26-K35 PolarHBondContact O-N 3.04Å; L26-Y36 HydrophobicContact CD1-CD2 3.67Å; L26-Y36 HydrophobicContact CD1-CG 4.19Å; L26-Y36 HydrophobicContact CG-CD2 4.25Å; L26-Y36 PolarHBondContact N-O 2.74Å; L26-Y36 VanDerWaalsContact N-O 3.08Å; L26-Y36 PolarHBondContact O-N 2.98Å; L26-L38 HydrophobicContact CD2-CD1 4.15Å; L26-L38 HydrophobicContact CD2-CG 4.37Å; L26-C126 HydrophobicContact CD1-CB 3.45Å; L26-C126 VanDerWaalsContact CD1-CB 3.45Å; L26-F127 HydrophobicContact CB-CE2 4.35Å; L26-F127 HydrophobicContact CB-CZ 4.09Å; L26-F127 HydrophobicContact CD1-CD2 4.18Å; L26-F127 HydrophobicContact CD1-CE1 4.28Å; L26-F127 HydrophobicContact CD1-CE2 3.4Å; L26-F127 VanDerWaalsContact CD1-CE2 3.4Å; L26-F127 HydrophobicContact CD1-CZ 3.49Å; L26-F127 VanDerWaalsContact CD1-CZ 3.49Å; L26-F127 HydrophobicContact CG-CE2 4.48Å; L26-F127 HydrophobicContact CG-CZ 4.38Å |
| 27 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -151.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L16 Y431 | L16-G27 PolarHBondContact N-O 2.84Å; L16-G27 PolarHBondContact O-N 3.45Å; L16-G27 VanDerWaalsContact O-N 3.09Å; G27-Y431 WeakPolarHBondContact CA-OH 3.27Å |
| 28 | Y | 93.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.3 | -175.5 | -57.6 | -81.7 | 0 | 0 | 0 | 112.3 | N13 L15 D31 K35 F127 Y431 | N13-Y28 WeakPolarHBondContact OD1-CD1 3.47Å; L15-Y28 HydrophobicContact CD2-CD1 3.64Å; L15-Y28 HydrophobicContact CD2-CE1 3.52Å; Y28-D31 WeakPolarHBondContact O-CB 3.49Å; Y28-D31 PolarHBondContact O-N 2.9Å; Y28-K35 HydrophobicContact CD2-CD 4.01Å; Y28-K35 HydrophobicContact CE2-CD 3.58Å; Y28-F127 HydrophobicContact CD1-CE1 4.42Å; Y28-F127 AromaticContact CE1-CD1 3.82Å; Y28-F127 HydrophobicContact CE1-CD1 3.82Å; Y28-F127 AromaticContact CE1-CE1 3.99Å; Y28-F127 HydrophobicContact CE1-CE1 3.99Å; Y28-F127 HydrophobicContact CE2-CD1 4.33Å; Y28-F127 HydrophobicContact CE2-CE1 4.26Å; Y28-F127 AromaticContact CZ-CD1 3.64Å; Y28-F127 AromaticContact CZ-CE1 3.91Å; Y28-F127 WeakPolarHBondContact OH-CD1 3.29Å; Y28-Y431 PolarHBondContact N-OH 2.84Å; Y28-Y431 PolarHBondContact O-OH 2.91Å; Y28-Y431 VanDerWaalsContact O-OH 3.1Å |
| 29 | S | 92.5 | Very high | 94.4 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139 | 165.5 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | A14 D31 T438 S439 | A14-S29 PolarHBondContact O-N 3.45Å; S29-D31 VanDerWaalsContact C-N 3.26Å; S29-D31 PolarHBondContact O-N 2.95Å; S29-T438 VanDerWaalsContact CB-OG1 3.31Å; S29-T438 WeakPolarHBondContact CB-OG1 3.45Å; S29-T438 VanDerWaalsContact OG-C 3.3Å; S29-T438 WeakPolarHBondContact OG-CB 3.46Å; S29-T438 PolarHBondContact OG-O 2.85Å; S29-T438 PolarHBondContact OG-OG1 3.37Å; S29-S439 PolarHBondContact OG-N 3.28Å |
| 30 | G | 90.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -13.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S435 | G30-S435 WeakPolarHBondContact CA-OG 3.42Å; G30-S435 PolarHBondContact N-OG 3.48Å |
| 31 | D | 92.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | trans | -70.1 | 138.5 | 173.2 | -75.5 | -17.7 | 0 | 0 | 0 | 110.4 | Y28 S29 F33 S435 | Y28-D31 WeakPolarHBondContact O-CB 3.49Å; Y28-D31 PolarHBondContact O-N 2.9Å; S29-D31 VanDerWaalsContact C-N 3.26Å; S29-D31 PolarHBondContact O-N 2.95Å; D31-F33 PolarHBondContact O-N 3.19Å; D31-S435 PolarHBondContact N-OG 3Å; D31-S435 WeakPolarHBondContact O-CB 3.41Å; D31-S435 PolarHBondContact O-OG 2.78Å | ||
| 32 | S | 91.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 62% | 0.615 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -66 | -25 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | V432 | S32-V432 WeakPolarHBondContact O-CG2 3.41Š|
| 33 | F | 93.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -148.4 | 158.8 | -178.4 | -61.4 | -68.2 | 0 | 0 | 0 | 110.7 | D31 K35 L424 E425 Y431 V432 | D31-F33 PolarHBondContact O-N 3.19Å; F33-K35 PolarHBondContact O-N 3.44Å; F33-L424 HydrophobicContact CB-CD1 4.43Å; F33-L424 HydrophobicContact CB-CD2 4.29Å; F33-L424 HydrophobicContact CB-CG 4.48Å; F33-L424 HydrophobicContact CD1-CD1 4.1Å; F33-L424 HydrophobicContact CD1-CD2 3.54Å; F33-L424 HydrophobicContact CD1-CG 3.4Å; F33-L424 VanDerWaalsContact CD1-CG 3.4Å; F33-L424 HydrophobicContact CD2-CD2 3.57Å; F33-L424 HydrophobicContact CD2-CG 4.37Å; F33-L424 HydrophobicContact CE1-CB 4.41Å; F33-L424 HydrophobicContact CE1-CD2 3.64Å; F33-L424 HydrophobicContact CE1-CG 3.59Å; F33-L424 HydrophobicContact CE2-CD2 3.67Å; F33-L424 HydrophobicContact CG-CD1 4.29Å; F33-L424 HydrophobicContact CG-CD2 3.5Å; F33-L424 HydrophobicContact CG-CG 3.82Å; F33-L424 HydrophobicContact CZ-CD2 3.7Å; F33-L424 HydrophobicContact CZ-CG 4.16Å; F33-E425 HydrophobicContact CE1-CG 4.37Å; F33-E425 WeakPolarHBondContact CZ-OE1 3.25Å; F33-Y431 VanDerWaalsContact C-CE1 3.45Å; F33-V432 HydrophobicContact CD1-CG2 4.21Å; F33-V432 HydrophobicContact CE1-CG2 4.47Å |
| 34 | P | 95.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | trans | -53.9 | 141 | 172.5 | -15.9 | 18.6 | 0 | 0 | 0 | 112.2 | R25 Y37 T428 Y431 | R25-P34 HydrophobicContact CB-CB 3.96Å; R25-P34 HydrophobicContact CB-CG 3.88Å; R25-P34 HydrophobicContact CG-CB 4.34Å; R25-P34 HydrophobicContact CG-CG 4.05Å; P34-Y37 HydrophobicContact CB-CE1 4.06Å; P34-Y37 HydrophobicContact CB-CE2 4.11Å; P34-Y37 WeakPolarHBondContact CD-OH 3.37Å; P34-Y37 HydrophobicContact CG-CE1 3.9Å; P34-Y37 WeakPolarHBondContact CG-OH 3.48Å; P34-Y37 WeakPolarHBondContact O-CE2 3.4Å; P34-Y37 PolarHBondContact O-OH 3.25Å; P34-T428 HydrophobicContact CG-CG2 3.75Å; P34-Y431 HydrophobicContact CB-CD1 4.32Å; P34-Y431 HydrophobicContact CB-CD2 4.04Å; P34-Y431 HydrophobicContact CB-CE1 4.32Å; P34-Y431 HydrophobicContact CB-CE2 3.98Å; P34-Y431 HydrophobicContact CB-CG 4.22Å; P34-Y431 HydrophobicContact CG-CD1 3.65Å; P34-Y431 HydrophobicContact CG-CD2 3.8Å; P34-Y431 HydrophobicContact CG-CE1 4.11Å; P34-Y431 HydrophobicContact CG-CE2 4.19Å; P34-Y431 HydrophobicContact CG-CG 3.51Å; P34-Y431 VanDerWaalsContact N-CE1 3.31Å | ||
| 35 | K | 94.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 33 Ų | 33 | 46% | 0.461 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -80 | -34.7 | 177.4 | -171.2 | 173.1 | -178.7 | 175.9 | 0 | 112.3 | L26 Y28 F33 | L26-K35 PolarHBondContact O-N 3.04Å; Y28-K35 HydrophobicContact CD2-CD 4.01Å; Y28-K35 HydrophobicContact CE2-CD 3.58Å; F33-K35 PolarHBondContact O-N 3.44Å |
| 36 | Y | 94.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 33.3 Ų | 33.3 | 26% | 0.263 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.2 | 178.3 | -50.5 | -91.2 | 0 | 0 | 0 | 111.7 | R25 L26 C126 | R25-Y36 WeakPolarHBondContact CA-O 3.45Å; L26-Y36 HydrophobicContact CD1-CD2 3.67Å; L26-Y36 HydrophobicContact CD1-CG 4.19Å; L26-Y36 HydrophobicContact CG-CD2 4.25Å; L26-Y36 PolarHBondContact N-O 2.74Å; L26-Y36 VanDerWaalsContact N-O 3.08Å; L26-Y36 PolarHBondContact O-N 2.98Å; Y36-C126 HydrophobicContact CD1-CB 4.34Å; Y36-C126 HydrophobicContact CD2-CB 3.7Å; Y36-C126 HydrophobicContact CE1-CB 4.39Å; Y36-C126 HydrophobicContact CE2-CB 3.74Å; Y36-C126 WeakPolarHBondContact CE2-O 3.31Å; Y36-C126 HydrophobicContact CG-CB 4.02Å; Y36-C126 VanDerWaalsContact CZ-O 3.22Å; Y36-C126 PolarHBondContact OH-O 2.88Å |
| 37 | Y | 95 | Very high | 94.3 | Very high | 87 Ų | 87 | 36.1 Ų | 36.1 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 111.5 | 177.8 | -59.6 | -100.1 | 0 | 0 | 0 | 107.4 | R25 P34 L424 T428 | R25-Y37 HydrophobicContact CG-CD1 3.69Å; R25-Y37 HydrophobicContact CG-CE1 3.91Å; P34-Y37 HydrophobicContact CB-CE1 4.06Å; P34-Y37 HydrophobicContact CB-CE2 4.11Å; P34-Y37 WeakPolarHBondContact CD-OH 3.37Å; P34-Y37 HydrophobicContact CG-CE1 3.9Å; P34-Y37 WeakPolarHBondContact CG-OH 3.48Å; P34-Y37 WeakPolarHBondContact O-CE2 3.4Å; P34-Y37 PolarHBondContact O-OH 3.25Å; Y37-L424 HydrophobicContact CE1-CD1 4.43Å; Y37-L424 WeakPolarHBondContact OH-CD1 3.46Å; Y37-T428 HydrophobicContact CE1-CG2 3.78Å |
| 38 | L | 95.7 | Very high | 94 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 149.8 | 171.3 | -57.8 | 179.2 | 0 | 0 | 0 | 108.6 | T23 F24 L26 F42 P88 L118 Y121 | T23-L38 CarbonylContact C-O 3.59Å; T23-L38 WeakPolarHBondContact CA-O 3.33Å; F24-L38 HydrophobicContact CB-CB 4.25Å; F24-L38 HydrophobicContact CD1-CD1 4.26Å; F24-L38 PolarHBondContact N-O 3.17Å; F24-L38 PolarHBondContact O-N 3.05Å; L26-L38 HydrophobicContact CD2-CD1 4.15Å; L26-L38 HydrophobicContact CD2-CG 4.37Å; L38-F42 HydrophobicContact CB-CE1 4.35Å; L38-F42 HydrophobicContact CB-CZ 4.32Å; L38-P88 HydrophobicContact CD2-CG 4.17Å; L38-L118 HydrophobicContact CD1-CD1 4.01Å; L38-Y121 HydrophobicContact CD1-CD1 4.41Å; L38-Y121 HydrophobicContact CD1-CE1 4.12Å; L38-Y121 HydrophobicContact CD2-CE1 4.43Å |
| 39 | P | 94.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 16% | 0.156 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 158.3 | 166.3 | 28.6 | -32.5 | 0 | 0 | 0 | 109.5 | V41 F42 L91 | P39-V41 VanDerWaalsContact C-N 3.3Å; P39-F42 HydrophobicContact CG-CD1 4.46Å; P39-F42 HydrophobicContact CG-CE1 4.15Å; P39-F42 WeakPolarHBondContact O-CE1 3.5Å; P39-F42 WeakPolarHBondContact O-CZ 3.42Å; P39-L91 HydrophobicContact CG-CD1 3.48Å; P39-L91 VanDerWaalsContact CG-CD1 3.48Å |
| 40 | S | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -97.7 | 23.3 | 173.8 | -57 | 0 | 0 | 0 | 0 | 112.9 | G20 N21 S22 T23 F24 P102 L103 | G20-S40 VanDerWaalsContact O-CB 3.24Å; G20-S40 WeakPolarHBondContact O-CB 3.48Å; G20-S40 PolarHBondContact O-OG 3.34Å; N21-S40 WeakPolarHBondContact O-CB 3.39Å; S22-S40 PolarHBondContact O-N 3.21Å; T23-S40 WeakPolarHBondContact CA-OG 3.4Å; T23-S40 PolarHBondContact N-OG 2.78Å; F24-S40 PolarHBondContact N-OG 3.41Å; F24-S40 VanDerWaalsContact N-OG 3.13Å; S40-P102 CarbonylContact O-C 3.49Å; S40-P102 WeakPolarHBondContact O-CA 3.22Å; S40-L103 PolarHBondContact O-N 3.19Å |
| 41 | V | 96.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | P39 L91 M100 K101 Y268 | P39-V41 VanDerWaalsContact C-N 3.3Å; V41-L91 WeakPolarHBondContact O-CD1 3.29Å; V41-M100 HydrophobicContact CG1-CB 4.02Å; V41-M100 HydrophobicContact CG1-CE 3.84Å; V41-K101 CarbonylContact C-O 3.6Å; V41-K101 WeakPolarHBondContact CA-O 3.32Å; V41-K101 WeakPolarHBondContact CG1-O 3.41Å; V41-Y268 HydrophobicContact CB-CD2 4.14Å; V41-Y268 HydrophobicContact CB-CE2 3.77Å; V41-Y268 HydrophobicContact CG1-CD2 3.85Å; V41-Y268 HydrophobicContact CG1-CE2 3.97Å; V41-Y268 HydrophobicContact CG2-CE2 4.23Å |
| 42 | F | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.5 | -169.7 | -60.8 | -61.1 | 0 | 0 | 0 | 112.2 | L38 P39 F86 L91 M100 K101 L103 M114 L118 | L38-F42 HydrophobicContact CB-CE1 4.35Å; L38-F42 HydrophobicContact CB-CZ 4.32Å; P39-F42 HydrophobicContact CG-CD1 4.46Å; P39-F42 HydrophobicContact CG-CE1 4.15Å; P39-F42 WeakPolarHBondContact O-CE1 3.5Å; P39-F42 WeakPolarHBondContact O-CZ 3.42Å; F42-F86 HydrophobicContact CB-CD1 3.91Å; F42-F86 HydrophobicContact CB-CE1 4.13Å; F42-F86 HydrophobicContact CD1-CB 4.23Å; F42-F86 AromaticContact CD1-CD1 3.55Å; F42-F86 HydrophobicContact CD1-CD1 3.55Å; F42-F86 HydrophobicContact CD1-CE1 4.44Å; F42-F86 HydrophobicContact CD1-CG 4.38Å; F42-F86 AromaticContact CD2-CD1 3.86Å; F42-F86 HydrophobicContact CD2-CD1 3.86Å; F42-F86 HydrophobicContact CD2-CE1 4Å; F42-F86 HydrophobicContact CE1-CB 4.2Å; F42-F86 AromaticContact CE1-CD1 3.87Å; F42-F86 HydrophobicContact CE1-CD1 3.87Å; F42-F86 HydrophobicContact CE2-CD1 4.18Å; F42-F86 HydrophobicContact CE2-CE1 4.48Å; F42-F86 AromaticContact CG-CD1 3.5Å; F42-F86 HydrophobicContact CG-CD1 3.5Å; F42-F86 AromaticContact CG-CE1 3.96Å; F42-F86 HydrophobicContact CG-CE1 3.96Å; F42-F86 HydrophobicContact CZ-CD1 4.16Å; F42-L91 HydrophobicContact CD1-CD1 4.33Å; F42-M100 WeakPolarHBondContact O-CA 3.32Å; F42-K101 PolarHBondContact N-O 3.05Å; F42-K101 PolarHBondContact O-N 3.17Å; F42-L103 HydrophobicContact CD2-CB 4.37Å; F42-L103 HydrophobicContact CD2-CD1 4.49Å; F42-L103 HydrophobicContact CE2-CB 4.08Å; F42-L103 HydrophobicContact CE2-CD1 4.16Å; F42-L103 HydrophobicContact CE2-CD2 4.21Å; F42-L103 HydrophobicContact CE2-CG 4.39Å; F42-M114 HydrophobicContact CB-SD 4.37Å; F42-M114 HydrophobicContact CD2-SD 3.91Å; F42-L118 HydrophobicContact CE1-CD1 4.4Å; F42-L118 HydrophobicContact CE2-CD1 4.12Å; F42-L118 HydrophobicContact CE2-CD2 3.72Å; F42-L118 HydrophobicContact CZ-CD1 3.79Å; F42-L118 HydrophobicContact CZ-CD2 4.03Å |
| 43 | G | 96.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 139.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y84 I85 L91 E99 | G43-Y84 CarbonylContact O-C 3.36Å; G43-Y84 VanDerWaalsContact O-CA 3.27Å; G43-Y84 WeakPolarHBondContact O-CA 3.33Å; G43-I85 PolarHBondContact N-O 2.88Å; G43-I85 VanDerWaalsContact N-O 3.08Å; G43-I85 PolarHBondContact O-N 2.98Å; G43-L91 VanDerWaalsContact N-CD2 3.31Å; G43-E99 CarbonylContact C-O 3.2Å; G43-E99 WeakPolarHBondContact CA-O 3.27Å |
| 44 | Y | 96.7 | Very high | 87.1 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.5 | 179 | 173.2 | -113.8 | 0 | 0 | 0 | 110 | P46 S81 E83 Y84 V98 E99 K101 | Y44-P46 HydrophobicContact CD1-CG 4.26Å; Y44-P46 HydrophobicContact CE1-CB 4.24Å; Y44-P46 HydrophobicContact CE1-CG 3.69Å; Y44-S81 WeakPolarHBondContact CE2-OG 3.44Å; Y44-S81 PolarHBondContact OH-O 3.25Å; Y44-S81 PolarHBondContact OH-OG 3.34Å; Y44-E83 CarbonylContact C-O 3.39Å; Y44-E83 WeakPolarHBondContact CA-O 3.4Å; Y44-Y84 AromaticContact CD2-CD1 3.72Å; Y44-Y84 HydrophobicContact CD2-CD1 3.72Å; Y44-Y84 AromaticContact CD2-CE1 3.27Å; Y44-Y84 HydrophobicContact CD2-CE1 3.27Å; Y44-Y84 HydrophobicContact CD2-CE2 4.5Å; Y44-Y84 HydrophobicContact CD2-CG 4.49Å; Y44-Y84 AromaticContact CD2-CZ 3.73Å; Y44-Y84 AromaticContact CE2-CE1 3.86Å; Y44-Y84 HydrophobicContact CE2-CE1 3.86Å; Y44-Y84 AromaticContact CE2-CZ 3.83Å; Y44-Y84 HydrophobicContact CG-CD1 4.45Å; Y44-Y84 HydrophobicContact CG-CE1 4.12Å; Y44-V98 CarbonylContact O-C 3.59Å; Y44-V98 WeakPolarHBondContact O-CA 3.49Å; Y44-E99 PolarHBondContact N-O 2.86Å; Y44-E99 PolarHBondContact O-N 3.28Å; Y44-K101 HydrophobicContact CD1-CD 3.77Å; Y44-K101 VanDerWaalsContact CD1-NZ 3.3Å; Y44-K101 HydrophobicContact CE1-CD 4.46Å; Y44-K101 HydrophobicContact CG-CD 3.86Å |
| 45 | L | 94.8 | Very high | 84.2 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 111.6 | 174 | -175.6 | 60.2 | 0 | 0 | 0 | 108.3 | E49 L50 G82 E83 K97 V98 | L45-E49 HydrophobicContact CD1-CB 3.73Å; L45-E49 HydrophobicContact CG-CB 4.43Å; L45-L50 HydrophobicContact CD2-CD2 3.49Å; L45-L50 VanDerWaalsContact CD2-CD2 3.49Å; L45-L50 HydrophobicContact CD2-CG 4.47Å; L45-L50 HydrophobicContact CG-CD2 3.9Å; L45-L50 HydrophobicContact CG-CG 4.48Å; L45-G82 CarbonylContact O-C 3.59Å; L45-G82 WeakPolarHBondContact O-CA 3.26Å; L45-E83 HydrophobicContact CB-CB 4.48Å; L45-E83 PolarHBondContact N-O 2.9Å; L45-E83 PolarHBondContact O-N 3.49Å; L45-K97 HydrophobicContact CD1-CB 3.74Å; L45-V98 HydrophobicContact CB-CG2 4.39Å; L45-V98 HydrophobicContact CD1-CG2 4.49Å |
| 46 | P | 92.9 | Very high | 81.4 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 151.6 | 179.9 | -21.5 | 29.7 | 0 | 0 | 0 | 112.5 | Y44 E48 E49 | Y44-P46 HydrophobicContact CD1-CG 4.26Å; Y44-P46 HydrophobicContact CE1-CB 4.24Å; Y44-P46 HydrophobicContact CE1-CG 3.69Å; P46-E48 PolarHBondContact O-N 3.43Å; P46-E49 PolarHBondContact O-N 2.85Å; P46-E49 VanDerWaalsContact O-N 3.07Å |
| 47 | N | 91.4 | Very high | 78.4 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55 | -36.7 | 178.3 | -80.5 | -28 | 0 | 0 | 0 | 114.2 | E49 L50 R78 R80 S81 G82 | N47-E49 PolarHBondContact O-N 3.24Å; N47-L50 PolarHBondContact O-N 3.12Å; N47-R78 PolarHBondContact OD1-NH1 3.03Å; N47-R78 PolarHBondContact OD1-NH2 3.12Å; N47-R80 PolarHBondContact ND2-O 3.28Å; N47-S81 PolarHBondContact N-O 2.95Å; N47-S81 VanDerWaalsContact ND2-C 3.31Å; N47-S81 PolarHBondContact ND2-O 3.44Å; N47-G82 VanDerWaalsContact OD1-CA 3.32Å; N47-G82 WeakPolarHBondContact OD1-CA 3.37Å; N47-G82 PolarHBondContact OD1-N 3.3Å |
| 48 | E | 88 | Confident | 75.3 | Confident | 186 Ų | 186 | 78.8 Ų | 78.8 | 87% | 0.869 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -64.2 | -25.4 | -178.9 | -62.4 | 172.2 | -177.5 | 0 | 0 | 112.9 | P46 | P46-E48 PolarHBondContact O-N 3.43Š|
| 49 | E | 85.3 | Confident | 72.1 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 38% | 0.379 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -95.2 | 1.2 | -176 | -68.8 | -69.6 | -167.2 | 0 | 0 | 113.2 | L45 P46 N47 K97 | L45-E49 HydrophobicContact CD1-CB 3.73Å; L45-E49 HydrophobicContact CG-CB 4.43Å; P46-E49 PolarHBondContact O-N 2.85Å; P46-E49 VanDerWaalsContact O-N 3.07Å; N47-E49 PolarHBondContact O-N 3.24Å; E49-K97 HydrophobicContact CB-CB 4.49Å; E49-K97 HydrophobicContact CB-CD 4.24Å; E49-K97 HydrophobicContact CG-CD 4.41Å; E49-K97 WeakPolarHBondContact OE2-CD 3.42Å; E49-K97 WeakPolarHBondContact OE2-CE 3.3Å; E49-K97 IonicContact OE2-NZ 2.75Å; E49-K97 PolarHBondContact OE2-NZ 3.06Å |
| 50 | L | 81.3 | Confident | 69.5 | Low | 36 Ų | 36 | 86 Ų | 86 | 19% | 0.188 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -82 | 131.2 | -178.7 | -67.1 | 166.9 | 0 | 0 | 0 | 111.4 | L45 N47 E83 | L45-L50 HydrophobicContact CD2-CD2 3.49Å; L45-L50 VanDerWaalsContact CD2-CD2 3.49Å; L45-L50 HydrophobicContact CD2-CG 4.47Å; L45-L50 HydrophobicContact CG-CD2 3.9Å; L45-L50 HydrophobicContact CG-CG 4.48Å; N47-L50 PolarHBondContact O-N 3.12Å; L50-E83 HydrophobicContact CD1-CG 4.1Å; L50-E83 HydrophobicContact CD2-CB 4.32Å; L50-E83 HydrophobicContact CD2-CG 3.8Å; L50-E83 WeakPolarHBondContact CD2-OE2 3.34Å |
| 51 | E | 76.1 | Confident | 66.4 | Low | 174 Ų | 174 | 92.4 Ų | 92.4 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 139.5 | 168.4 | -63.7 | -173.5 | 167.1 | 0 | 0 | 109.8 | R53 | E51-R53 PolarHBondContact O-N 3.03Å; E51-R53 VanDerWaalsContact O-N 3.13Å |
| 52 | P | 69.1 | Low | 63.2 | Low | 111 Ų | 111 | 98.2 Ų | 98.2 | 72% | 0.721 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 122.3 | 172.8 | -19.2 | 28.9 | 0 | 0 | 0 | 109.2 | H54 | P52-H54 PolarHBondContact O-N 3.14Š|
| 53 | R | 59.4 | Low | 60.3 | Low | 148 Ų | 148 | 102.4 Ų | 102.4 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | trans | -63.7 | 102.5 | 173.6 | -71.8 | -175 | 178.3 | -175.5 | 1.5 | 108.3 | E51 G55 E83 | E51-R53 PolarHBondContact O-N 3.03Å; E51-R53 VanDerWaalsContact O-N 3.13Å; R53-G55 VanDerWaalsContact C-N 3.3Å; R53-G55 PolarHBondContact O-N 3Å; R53-E83 IonicContact CZ-OE1 3.95Å; R53-E83 IonicContact NE-OE1 2.64Å; R53-E83 IonicContact NH2-OE1 3.35Å; R53-E83 PolarHBondContact NH2-OE1 3Å | ||
| 54 | H | 38.5 | Very low | 57.1 | Low | 187 Ų | 187 | 111.2 Ų | 111.2 | 87% | 0.866 | 61% | 0.606 | S | S | * | * | trans | -67.5 | 93.2 | 165.3 | -79.9 | -41.1 | 0 | 0 | 0 | 108.8 | P52 | P52-H54 PolarHBondContact O-N 3.14Š| ||
| 55 | G | 34.5 | Very low | 54.3 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 47.9 | 78 | 159 | 0 | 0 | 0 | 0 | 0 | 117.1 | R53 | R53-G55 VanDerWaalsContact C-N 3.3Å; R53-G55 PolarHBondContact O-N 3Å |
| 56 | V | 34.5 | Very low | 51.2 | Low | 105 Ų | 105 | 121.3 Ų | 121.3 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -145.5 | 100 | 148.1 | -173.7 | 0 | 0 | 0 | 0 | 108 | ||
| 57 | Y | 32.3 | Very low | 48.6 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | 33.6 | 94.7 | 163.9 | -56.2 | -82.2 | 0 | 0 | 0 | 118.2 | ||||
| 58 | E | 29.4 | Very low | 45.8 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -97.3 | 101 | 145.4 | -78.6 | -180 | 174 | 0 | 0 | 107.7 | ||||
| 59 | S | 28.6 | Very low | 43.5 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | trans | -124.7 | 114.5 | 148.8 | 45.5 | 0 | 0 | 0 | 0 | 105.7 | D61 | S59-D61 PolarHBondContact O-N 2.7Š| ||
| 60 | A | 39.9 | Very low | 41.7 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -73.7 | 2.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 61 | D | 31.7 | Very low | 40.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -128.5 | 106.4 | 176 | -68.3 | -43 | 0 | 0 | 0 | 108.1 | S59 | S59-D61 PolarHBondContact O-N 2.7Š| ||
| 62 | D | 28 | Very low | 39 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | 168.2 | 114.2 | 141.5 | -86.7 | -26.7 | 0 | 0 | 0 | 110.6 | Q64 | D62-Q64 PolarHBondContact O-N 3.2Š| ||
| 63 | G | 36.4 | Very low | 38.2 | Very low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -70.2 | 43 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 64 | Q | 30.5 | Very low | 38.5 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -141.6 | 62 | 176 | -67.8 | -172.8 | -0.5 | 0 | 0 | 112.6 | D62 T66 | D62-Q64 PolarHBondContact O-N 3.2Å; Q64-T66 PolarHBondContact O-N 2.89Å | ||
| 65 | Q | 37 | Very low | 40.1 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | -83.8 | 115.7 | 169.6 | -71 | -174.4 | 4.5 | 0 | 0 | 110.9 | ||||
| 66 | T | 30.8 | Very low | 42.5 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | trans | -63.3 | 140.3 | -177.1 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | Q64 N68 H69 | Q64-T66 PolarHBondContact O-N 2.89Å; T66-N68 PolarHBondContact O-N 2.75Å; T66-H69 PolarHBondContact O-N 3.5Å | ||
| 67 | L | 37.2 | Very low | 45.1 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 83% | 0.832 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -54.2 | -11.6 | -175.6 | -77.5 | 153.9 | 0 | 0 | 0 | 115.8 | H69 A70 | L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.21Å; L67-A70 VanDerWaalsContact O-CB 3.26Å; L67-A70 WeakPolarHBondContact O-CB 3.18Å; L67-A70 PolarHBondContact O-N 2.98Å |
| 68 | N | 32.9 | Very low | 47.9 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -74.1 | -18.9 | -176.4 | -70 | -17.8 | 0 | 0 | 0 | 114.2 | T66 | T66-N68 PolarHBondContact O-N 2.75Š|
| 69 | H | 40.8 | Very low | 50.9 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -96 | 1.1 | 175 | -76.8 | -65.9 | 0 | 0 | 0 | 114.4 | T66 L67 P71 R72 L73 | T66-H69 PolarHBondContact O-N 3.5Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.21Å; H69-P71 VanDerWaalsContact C-CD 3.42Å; H69-R72 PolarHBondContact O-N 2.96Å; H69-R72 VanDerWaalsContact O-N 3.16Å; H69-L73 HydrophobicContact CB-CD1 4.28Å; H69-L73 PolarHBondContact O-N 3.17Å |
| 70 | A | 47.2 | Very low | 53.9 | Low | 34 Ų | 34 | 109.4 Ų | 109.4 | 28% | 0.281 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -50.5 | -41.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L67 R72 L73 R74 | L67-A70 VanDerWaalsContact O-CB 3.26Å; L67-A70 WeakPolarHBondContact O-CB 3.18Å; L67-A70 PolarHBondContact O-N 2.98Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.4Å; A70-L73 PolarHBondContact O-N 3.43Å; A70-R74 PolarHBondContact O-N 2.97Å |
| 71 | P | 48.5 | Very low | 56.4 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.4 | -27.2 | -176.7 | 24.3 | -31.3 | 0 | 0 | 0 | 113.4 | H69 Q75 | H69-P71 VanDerWaalsContact C-CD 3.42Å; P71-Q75 WeakPolarHBondContact O-CG 3.15Å |
| 72 | R | 51.2 | Low | 59.3 | Low | 197 Ų | 197 | 99.9 Ų | 99.9 | 74% | 0.743 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -79.3 | -39.1 | 174.3 | -75.2 | -172 | 177.9 | 173 | -0.2 | 111.5 | H69 A70 R74 Q75 | H69-R72 PolarHBondContact O-N 2.96Å; H69-R72 VanDerWaalsContact O-N 3.16Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.4Å; R72-R74 VanDerWaalsContact C-N 3.27Å; R72-R74 PolarHBondContact O-N 3.34Å; R72-Q75 PolarHBondContact O-N 2.89Å; R72-Q75 VanDerWaalsContact O-N 3.09Å |
| 73 | L | 53.5 | Low | 62.5 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -34.1 | 179.5 | -114.9 | 90.4 | 0 | 0 | 0 | 112.9 | H69 A70 Q75 F125 | H69-L73 HydrophobicContact CB-CD1 4.28Å; H69-L73 PolarHBondContact O-N 3.17Å; A70-L73 PolarHBondContact O-N 3.43Å; L73-Q75 PolarHBondContact O-N 3.05Å; L73-F125 HydrophobicContact CB-CZ 4.16Å; L73-F125 HydrophobicContact CD2-CZ 4.45Å |
| 74 | R | 65.5 | Low | 65.3 | Low | 112 Ų | 112 | 89 Ų | 89 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.8 | 176.9 | -75.1 | -175.1 | 179.5 | -164.9 | -0.7 | 114.2 | A70 R72 F125 | A70-R74 PolarHBondContact O-N 2.97Å; R72-R74 VanDerWaalsContact C-N 3.27Å; R72-R74 PolarHBondContact O-N 3.34Å; R74-F125 HydrophobicContact CG-CD1 3.55Å; R74-F125 HydrophobicContact CG-CD2 4.48Å; R74-F125 HydrophobicContact CG-CE1 3.52Å; R74-F125 HydrophobicContact CG-CE2 4.45Å; R74-F125 HydrophobicContact CG-CG 4.05Å; R74-F125 HydrophobicContact CG-CZ 3.99Å |
| 75 | Q | 71.9 | Confident | 68.4 | Low | 61 Ų | 61 | 80.6 Ų | 80.6 | 29% | 0.285 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -34.3 | -172 | -64.1 | -172.4 | 6.6 | 0 | 0 | 113 | P71 R72 L73 I85 | P71-Q75 WeakPolarHBondContact O-CG 3.15Å; R72-Q75 PolarHBondContact O-N 2.89Å; R72-Q75 VanDerWaalsContact O-N 3.09Å; L73-Q75 PolarHBondContact O-N 3.05Å; Q75-I85 WeakPolarHBondContact O-CG1 3.08Å; Q75-I85 WeakPolarHBondContact O-CG2 3.46Å |
| 76 | R | 84.1 | Confident | 71.2 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | trans | -139.1 | 127 | -175 | -60.9 | -162 | -176.9 | -179.5 | -2.7 | 111.3 | E83 Y84 I85 | R76-E83 WeakPolarHBondContact CD-OE2 3.34Å; R76-E83 IonicContact CZ-OE2 3.78Å; R76-E83 IonicContact NE-OE2 3.81Å; R76-E83 IonicContact NH1-OE2 3.25Å; R76-E83 PolarHBondContact NH1-OE2 3.31Å; R76-Y84 CarbonylContact C-O 3.57Å; R76-Y84 WeakPolarHBondContact CA-O 3Å; R76-I85 HydrophobicContact CG-CG1 4.37Å | ||
| 77 | C | 89.9 | Confident | 74.1 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | G79 E83 Y84 F86 T117 | C77-G79 PolarHBondContact O-N 3.47Å; C77-E83 CarbonylContact O-C 3.56Å; C77-E83 WeakPolarHBondContact O-CA 3.38Å; C77-Y84 PolarHBondContact N-O 3.11Å; C77-Y84 PolarHBondContact O-N 3.33Å; C77-F86 HydrophobicContact CB-CD2 4.16Å; C77-F86 HydrophobicContact CB-CE2 3.86Å; C77-T117 HydrophobicContact CB-CG2 3.59Å |
| 78 | R | 91.5 | Very high | 76.7 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116 | -179.6 | -176.9 | 64.4 | 167.5 | 174.6 | 2.7 | 109.5 | N47 | N47-R78 PolarHBondContact OD1-NH1 3.03Å; N47-R78 PolarHBondContact OD1-NH2 3.12Å |
| 79 | G | 91.5 | Very high | 79.4 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | trans | -101.3 | -173.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C77 G82 T117 | C77-G79 PolarHBondContact O-N 3.47Å; G79-G82 WeakPolarHBondContact CA-O 3.42Å; G79-G82 PolarHBondContact N-O 3.45Å; G79-T117 WeakPolarHBondContact CA-OG1 3.37Å | ||
| 80 | R | 92.7 | Very high | 81.8 | Confident | 179 Ų | 179 | 57.4 Ų | 57.4 | 68% | 0.675 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.4 | -39.8 | 180 | -51.7 | 177.9 | -148.4 | -175.5 | 4.8 | 111.1 | N47 D113 E116 | N47-R80 PolarHBondContact ND2-O 3.28Å; R80-D113 WeakPolarHBondContact CA-OD1 3.44Å; R80-D113 WeakPolarHBondContact CB-OD1 3.46Å; R80-D113 VanDerWaalsContact CG-OD1 3.26Å; R80-D113 WeakPolarHBondContact CG-OD1 3.31Å; R80-D113 PolarHBondContact N-OD1 2.94Å; R80-D113 PolarHBondContact N-OD2 3.4Å; R80-E116 IonicContact CZ-OE2 3.79Å; R80-E116 IonicContact NE-OE2 3.32Å; R80-E116 IonicContact NH2-OE2 2.73Å; R80-E116 PolarHBondContact NH2-OE2 3.04Å |
| 81 | S | 91.5 | Very high | 84 | Confident | 40 Ų | 40 | 56 Ų | 56 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -91.5 | -14.2 | -175.8 | 72 | 0 | 0 | 0 | 0 | 114.7 | Y44 N47 Y84 D113 | Y44-S81 WeakPolarHBondContact CE2-OG 3.44Å; Y44-S81 PolarHBondContact OH-O 3.25Å; Y44-S81 PolarHBondContact OH-OG 3.34Å; N47-S81 PolarHBondContact N-O 2.95Å; N47-S81 VanDerWaalsContact ND2-C 3.31Å; N47-S81 PolarHBondContact ND2-O 3.44Å; S81-Y84 PolarHBondContact OG-OH 3.41Å; S81-D113 VanDerWaalsContact CB-OD2 3.25Å; S81-D113 WeakPolarHBondContact CB-OD2 3.43Å; S81-D113 PolarHBondContact N-OD2 2.76Å; S81-D113 PolarHBondContact OG-OD2 2.84Å |
| 82 | G | 93.7 | Very high | 86 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -170.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L45 N47 G79 | L45-G82 CarbonylContact O-C 3.59Å; L45-G82 WeakPolarHBondContact O-CA 3.26Å; N47-G82 VanDerWaalsContact OD1-CA 3.32Å; N47-G82 WeakPolarHBondContact OD1-CA 3.37Å; N47-G82 PolarHBondContact OD1-N 3.3Å; G79-G82 WeakPolarHBondContact CA-O 3.42Å; G79-G82 PolarHBondContact N-O 3.45Å |
| 83 | E | 94.6 | Very high | 88 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.5 | 168.6 | -67.8 | -171.3 | 157.7 | 0 | 0 | 110.5 | Y44 L45 L50 R53 R76 C77 | Y44-E83 CarbonylContact C-O 3.39Å; Y44-E83 WeakPolarHBondContact CA-O 3.4Å; L45-E83 HydrophobicContact CB-CB 4.48Å; L45-E83 PolarHBondContact N-O 2.9Å; L45-E83 PolarHBondContact O-N 3.49Å; L50-E83 HydrophobicContact CD1-CG 4.1Å; L50-E83 HydrophobicContact CD2-CB 4.32Å; L50-E83 HydrophobicContact CD2-CG 3.8Å; L50-E83 WeakPolarHBondContact CD2-OE2 3.34Å; R53-E83 IonicContact CZ-OE1 3.95Å; R53-E83 IonicContact NE-OE1 2.64Å; R53-E83 IonicContact NH2-OE1 3.35Å; R53-E83 PolarHBondContact NH2-OE1 3Å; R76-E83 WeakPolarHBondContact CD-OE2 3.34Å; R76-E83 IonicContact CZ-OE2 3.78Å; R76-E83 IonicContact NE-OE2 3.81Å; R76-E83 IonicContact NH1-OE2 3.25Å; R76-E83 PolarHBondContact NH1-OE2 3.31Å; C77-E83 CarbonylContact O-C 3.56Å; C77-E83 WeakPolarHBondContact O-CA 3.38Å |
| 84 | Y | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 149.5 | 177.7 | -62.9 | -81.5 | 0 | 0 | 0 | 111.8 | G43 Y44 R76 C77 S81 F86 D113 M114 T117 | G43-Y84 CarbonylContact O-C 3.36Å; G43-Y84 VanDerWaalsContact O-CA 3.27Å; G43-Y84 WeakPolarHBondContact O-CA 3.33Å; Y44-Y84 AromaticContact CD2-CD1 3.72Å; Y44-Y84 HydrophobicContact CD2-CD1 3.72Å; Y44-Y84 AromaticContact CD2-CE1 3.27Å; Y44-Y84 HydrophobicContact CD2-CE1 3.27Å; Y44-Y84 HydrophobicContact CD2-CE2 4.5Å; Y44-Y84 HydrophobicContact CD2-CG 4.49Å; Y44-Y84 AromaticContact CD2-CZ 3.73Å; Y44-Y84 AromaticContact CE2-CE1 3.86Å; Y44-Y84 HydrophobicContact CE2-CE1 3.86Å; Y44-Y84 AromaticContact CE2-CZ 3.83Å; Y44-Y84 HydrophobicContact CG-CD1 4.45Å; Y44-Y84 HydrophobicContact CG-CE1 4.12Å; R76-Y84 CarbonylContact C-O 3.57Å; R76-Y84 WeakPolarHBondContact CA-O 3Å; C77-Y84 PolarHBondContact N-O 3.11Å; C77-Y84 PolarHBondContact O-N 3.33Å; S81-Y84 PolarHBondContact OG-OH 3.41Å; Y84-F86 HydrophobicContact CD1-CZ 4.44Å; Y84-F86 HydrophobicContact CD2-CZ 4.42Å; Y84-F86 HydrophobicContact CG-CE1 4.34Å; Y84-F86 AromaticContact CG-CZ 3.86Å; Y84-F86 HydrophobicContact CG-CZ 3.86Å; Y84-D113 WeakPolarHBondContact CE2-OD2 3.29Å; Y84-D113 PolarHBondContact OH-OD2 3.03Å; Y84-M114 HydrophobicContact CD1-CB 4.14Å; Y84-M114 HydrophobicContact CD1-CE 4.4Å; Y84-M114 HydrophobicContact CD1-CG 3.74Å; Y84-M114 HydrophobicContact CE1-CB 3.49Å; Y84-M114 VanDerWaalsContact CE1-CB 3.49Å; Y84-M114 HydrophobicContact CE1-CE 3.95Å; Y84-M114 HydrophobicContact CE1-CG 3.6Å; Y84-M114 PolarHBondContact OH-N 3.48Å; Y84-T117 HydrophobicContact CD2-CG2 3.7Å; Y84-T117 HydrophobicContact CE2-CG2 4.44Å; Y84-T117 HydrophobicContact CG-CG2 4.46Å |
| 85 | I | 94.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 112 | 175.1 | -54.4 | -177.7 | 0 | 0 | 0 | 107.7 | G43 Q75 R76 L91 V98 | G43-I85 PolarHBondContact N-O 2.88Å; G43-I85 VanDerWaalsContact N-O 3.08Å; G43-I85 PolarHBondContact O-N 2.98Å; Q75-I85 WeakPolarHBondContact O-CG1 3.08Å; Q75-I85 WeakPolarHBondContact O-CG2 3.46Å; R76-I85 HydrophobicContact CG-CG1 4.37Å; I85-L91 HydrophobicContact CB-CD2 4.13Å; I85-L91 HydrophobicContact CG2-CD2 3.85Å; I85-L91 HydrophobicContact CG2-CG 4.36Å; I85-L91 VanDerWaalsContact O-CD2 3.31Å; I85-L91 WeakPolarHBondContact O-CD2 3.29Å; I85-V98 HydrophobicContact CD1-CG1 4.21Å; I85-V98 HydrophobicContact CD1-CG2 4.34Å |
| 86 | F | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | trans | -105.3 | -28.1 | -178.5 | -57.1 | -57.8 | 0 | 0 | 0 | 113.8 | F42 C77 Y84 P88 M114 T117 L118 Y121 | F42-F86 HydrophobicContact CB-CD1 3.91Å; F42-F86 HydrophobicContact CB-CE1 4.13Å; F42-F86 HydrophobicContact CD1-CB 4.23Å; F42-F86 AromaticContact CD1-CD1 3.55Å; F42-F86 HydrophobicContact CD1-CD1 3.55Å; F42-F86 HydrophobicContact CD1-CE1 4.44Å; F42-F86 HydrophobicContact CD1-CG 4.38Å; F42-F86 AromaticContact CD2-CD1 3.86Å; F42-F86 HydrophobicContact CD2-CD1 3.86Å; F42-F86 HydrophobicContact CD2-CE1 4Å; F42-F86 HydrophobicContact CE1-CB 4.2Å; F42-F86 AromaticContact CE1-CD1 3.87Å; F42-F86 HydrophobicContact CE1-CD1 3.87Å; F42-F86 HydrophobicContact CE2-CD1 4.18Å; F42-F86 HydrophobicContact CE2-CE1 4.48Å; F42-F86 AromaticContact CG-CD1 3.5Å; F42-F86 HydrophobicContact CG-CD1 3.5Å; F42-F86 AromaticContact CG-CE1 3.96Å; F42-F86 HydrophobicContact CG-CE1 3.96Å; F42-F86 HydrophobicContact CZ-CD1 4.16Å; C77-F86 HydrophobicContact CB-CD2 4.16Å; C77-F86 HydrophobicContact CB-CE2 3.86Å; Y84-F86 HydrophobicContact CD1-CZ 4.44Å; Y84-F86 HydrophobicContact CD2-CZ 4.42Å; Y84-F86 HydrophobicContact CG-CE1 4.34Å; Y84-F86 AromaticContact CG-CZ 3.86Å; Y84-F86 HydrophobicContact CG-CZ 3.86Å; F86-P88 WeakPolarHBondContact O-CD 3.49Å; F86-M114 HydrophobicContact CE1-CG 4.04Å; F86-M114 HydrophobicContact CZ-CG 4.42Å; F86-T117 HydrophobicContact CE2-CG2 3.8Å; F86-T117 HydrophobicContact CZ-CG2 4.07Å; F86-L118 HydrophobicContact CB-CD1 4.2Å; F86-L118 HydrophobicContact CD1-CB 4.34Å; F86-L118 HydrophobicContact CD1-CD1 3.63Å; F86-L118 HydrophobicContact CD2-CD1 4.28Å; F86-L118 HydrophobicContact CE1-CB 3.82Å; F86-L118 HydrophobicContact CE1-CD1 4Å; F86-L118 HydrophobicContact CE1-CG 4.45Å; F86-L118 HydrophobicContact CE2-CB 4.23Å; F86-L118 HydrophobicContact CG-CD1 3.79Å; F86-L118 HydrophobicContact CZ-CB 3.75Å; F86-L118 HydrophobicContact CZ-CD1 4.45Å; F86-Y121 HydrophobicContact CB-CD1 3.94Å; F86-Y121 HydrophobicContact CB-CD2 4.1Å; F86-Y121 HydrophobicContact CB-CE1 4Å; F86-Y121 HydrophobicContact CB-CE2 4.14Å; F86-Y121 HydrophobicContact CB-CG 4.02Å; F86-Y121 HydrophobicContact CD2-CD1 4.3Å; F86-Y121 AromaticContact CD2-CD2 3.93Å; F86-Y121 HydrophobicContact CD2-CD2 3.93Å; F86-Y121 AromaticContact CD2-CG 3.69Å; F86-Y121 HydrophobicContact CD2-CG 3.69Å; F86-Y121 HydrophobicContact CG-CD1 4.44Å; F86-Y121 HydrophobicContact CG-CG 4.24Å | ||
| 87 | D | 91.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | trans | -62.9 | 122.5 | -176.9 | 172.2 | 73.8 | 0 | 0 | 0 | 111.6 | S89 S90 L91 | D87-S89 VanDerWaalsContact C-N 3.26Å; D87-S89 PolarHBondContact O-N 3.14Å; D87-S89 WeakPolarHBondContact OD2-CB 3.44Å; D87-S89 PolarHBondContact OD2-N 3.17Å; D87-S90 WeakPolarHBondContact O-CA 3.47Å; D87-S90 WeakPolarHBondContact O-CB 3.49Å; D87-S90 PolarHBondContact O-N 3.39Å; D87-S90 WeakPolarHBondContact OD2-CB 3.46Å; D87-S90 PolarHBondContact OD2-N 2.93Å; D87-S90 PolarHBondContact OD2-OG 2.98Å; D87-L91 PolarHBondContact O-N 2.89Å | ||
| 88 | P | 91.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.2 | -35.3 | -175.2 | -25.4 | 32.7 | 0 | 0 | 0 | 114 | L38 F86 S90 L91 C92 | L38-P88 HydrophobicContact CD2-CG 4.17Å; F86-P88 WeakPolarHBondContact O-CD 3.49Å; P88-S90 VanDerWaalsContact C-N 3.34Å; P88-L91 PolarHBondContact O-N 3.01Å; P88-C92 PolarHBondContact O-SG 3.47Å |
| 89 | S | 90.6 | Very high | 93 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68.8 | -38.8 | 178.4 | -54 | 0 | 0 | 0 | 0 | 110.7 | D87 L91 C92 | D87-S89 VanDerWaalsContact C-N 3.26Å; D87-S89 PolarHBondContact O-N 3.14Å; D87-S89 WeakPolarHBondContact OD2-CB 3.44Å; D87-S89 PolarHBondContact OD2-N 3.17Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-C92 WeakPolarHBondContact O-CB 3.43Å; S89-C92 PolarHBondContact O-N 3.3Å |
| 90 | S | 91.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -31.7 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | D87 P88 C92 I93 | D87-S90 WeakPolarHBondContact O-CA 3.47Å; D87-S90 WeakPolarHBondContact O-CB 3.49Å; D87-S90 PolarHBondContact O-N 3.39Å; D87-S90 WeakPolarHBondContact OD2-CB 3.46Å; D87-S90 PolarHBondContact OD2-N 2.93Å; D87-S90 PolarHBondContact OD2-OG 2.98Å; P88-S90 VanDerWaalsContact C-N 3.34Å; S90-C92 PolarHBondContact O-N 3.16Å; S90-I93 WeakPolarHBondContact O-CB 3.4Å; S90-I93 PolarHBondContact O-N 2.91Å |
| 91 | L | 93.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -19.8 | 173.7 | -66.5 | 177 | 0 | 0 | 0 | 113.8 | P39 V41 F42 G43 I85 D87 P88 S89 I93 M100 Y265 Q269 | P39-L91 HydrophobicContact CG-CD1 3.48Å; P39-L91 VanDerWaalsContact CG-CD1 3.48Å; V41-L91 WeakPolarHBondContact O-CD1 3.29Å; F42-L91 HydrophobicContact CD1-CD1 4.33Å; G43-L91 VanDerWaalsContact N-CD2 3.31Å; I85-L91 HydrophobicContact CB-CD2 4.13Å; I85-L91 HydrophobicContact CG2-CD2 3.85Å; I85-L91 HydrophobicContact CG2-CG 4.36Å; I85-L91 VanDerWaalsContact O-CD2 3.31Å; I85-L91 WeakPolarHBondContact O-CD2 3.29Å; D87-L91 PolarHBondContact O-N 2.89Å; P88-L91 PolarHBondContact O-N 3.01Å; S89-L91 VanDerWaalsContact C-N 3.35Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-M100 HydrophobicContact CD2-CE 3.91Å; L91-M100 HydrophobicContact CD2-SD 4.38Å; L91-Y265 WeakPolarHBondContact O-CE2 3.44Å; L91-Q269 PolarHBondContact O-NE2 2.95Å |
| 92 | C | 90.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 40 Ų | 40 | 49% | 0.486 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.8 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | P88 S89 S90 Y265 | P88-C92 PolarHBondContact O-SG 3.47Å; S89-C92 WeakPolarHBondContact O-CB 3.43Å; S89-C92 PolarHBondContact O-N 3.3Å; S90-C92 PolarHBondContact O-N 3.16Å; C92-Y265 PolarHBondContact O-OH 3.11Å |
| 93 | I | 91.6 | Very high | 93.8 | Very high | 81 Ų | 81 | 40 Ų | 40 | 42% | 0.415 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -91.1 | 117 | -177.7 | -57.6 | 175.2 | 0 | 0 | 0 | 108.4 | S90 L91 R95 Y265 | S90-I93 WeakPolarHBondContact O-CB 3.4Å; S90-I93 PolarHBondContact O-N 2.91Å; L91-I93 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 2.61Å; I93-Y265 VanDerWaalsContact C-OH 3.32Å |
| 94 | P | 93.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | trans | -66.6 | 133.5 | 177.9 | 29 | -34.2 | 0 | 0 | 0 | 110 | Y237 L258 P259 V261 Y265 | P94-Y237 HydrophobicContact CB-CD2 3.99Å; P94-Y237 HydrophobicContact CB-CE2 4.46Å; P94-Y237 HydrophobicContact CG-CD2 4.17Å; P94-L258 HydrophobicContact CG-CD2 3.96Å; P94-P259 HydrophobicContact CB-CG 4.03Å; P94-P259 HydrophobicContact CG-CG 4.31Å; P94-P259 WeakPolarHBondContact O-CG 3.43Å; P94-V261 HydrophobicContact CB-CG1 3.6Å; P94-Y265 WeakPolarHBondContact CA-OH 3.38Å; P94-Y265 HydrophobicContact CB-CE1 3.9Å | ||
| 95 | R | 93.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | trans | -135.2 | 149.3 | 179.2 | -65.5 | 177.6 | -173.8 | -95.6 | 10.1 | 109.2 | I93 V98 | I93-R95 PolarHBondContact O-N 2.61Å; R95-V98 HydrophobicContact CB-CB 4.21Å; R95-V98 HydrophobicContact CB-CG2 3.65Å | ||
| 96 | E | 91.7 | Very high | 93.4 | Very high | 113 Ų | 113 | 49.5 Ų | 49.5 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -68.8 | 144.6 | 173.9 | -60 | -170.3 | 166 | 0 | 0 | 110.2 | V98 P259 Q260 | E96-V98 PolarHBondContact O-N 3.38Å; E96-P259 HydrophobicContact CG-CB 3.39Å; E96-Q260 WeakPolarHBondContact CA-O 3.45Å |
| 97 | K | 93.3 | Very high | 93.3 | Very high | 103 Ų | 103 | 50 Ų | 50 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 61.6 | -6 | 171.5 | -57.6 | 164.3 | 167.1 | -162.2 | 0 | 117 | L45 E49 E99 | L45-K97 HydrophobicContact CD1-CB 3.74Å; E49-K97 HydrophobicContact CB-CB 4.49Å; E49-K97 HydrophobicContact CB-CD 4.24Å; E49-K97 HydrophobicContact CG-CD 4.41Å; E49-K97 WeakPolarHBondContact OE2-CD 3.42Å; E49-K97 WeakPolarHBondContact OE2-CE 3.3Å; E49-K97 IonicContact OE2-NZ 2.75Å; E49-K97 PolarHBondContact OE2-NZ 3.06Å; K97-E99 PolarHBondContact O-N 3.46Å |
| 98 | V | 95.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 122.1 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | Y44 L45 I85 R95 E96 T262 | Y44-V98 CarbonylContact O-C 3.59Å; Y44-V98 WeakPolarHBondContact O-CA 3.49Å; L45-V98 HydrophobicContact CB-CG2 4.39Å; L45-V98 HydrophobicContact CD1-CG2 4.49Å; I85-V98 HydrophobicContact CD1-CG1 4.21Å; I85-V98 HydrophobicContact CD1-CG2 4.34Å; R95-V98 HydrophobicContact CB-CB 4.21Å; R95-V98 HydrophobicContact CB-CG2 3.65Å; E96-V98 PolarHBondContact O-N 3.38Å; V98-T262 VanDerWaalsContact O-CG2 3.23Å; V98-T262 WeakPolarHBondContact O-CG2 3.17Å; V98-T262 PolarHBondContact O-OG1 3.14Å |
| 99 | E | 96.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 154.5 | 173.2 | -62.9 | -171 | 146.9 | 0 | 0 | 111.2 | G43 Y44 K97 T262 S264 | G43-E99 CarbonylContact C-O 3.2Å; G43-E99 WeakPolarHBondContact CA-O 3.27Å; Y44-E99 PolarHBondContact N-O 2.86Å; Y44-E99 PolarHBondContact O-N 3.28Å; K97-E99 PolarHBondContact O-N 3.46Å; E99-T262 HydrophobicContact CG-CG2 4.09Å; E99-S264 VanDerWaalsContact CA-OG 3.32Å; E99-S264 WeakPolarHBondContact CA-OG 3.43Å |
| 100 | M | 96.8 | Very high | 93.8 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.1 | 172 | -60.9 | -60.9 | -55.3 | 0 | 0 | 109.7 | V41 F42 L91 S264 Y265 Y268 | V41-M100 HydrophobicContact CG1-CB 4.02Å; V41-M100 HydrophobicContact CG1-CE 3.84Å; F42-M100 WeakPolarHBondContact O-CA 3.32Å; L91-M100 HydrophobicContact CD2-CE 3.91Å; L91-M100 HydrophobicContact CD2-SD 4.38Å; M100-S264 PolarHBondContact N-OG 2.62Å; M100-Y265 HydrophobicContact CG-CD2 4.08Å; M100-Y265 HydrophobicContact SD-CD2 3.84Å; M100-Y265 HydrophobicContact SD-CE2 4.49Å; M100-Y268 HydrophobicContact CB-CG 4.41Å; M100-Y268 HydrophobicContact CE-CD1 3.48Å; M100-Y268 VanDerWaalsContact CE-CD1 3.48Å; M100-Y268 HydrophobicContact CE-CD2 4.29Å; M100-Y268 HydrophobicContact CE-CE1 3.56Å; M100-Y268 HydrophobicContact CE-CE2 4.37Å; M100-Y268 HydrophobicContact CE-CG 3.86Å; M100-Y268 HydrophobicContact CG-CD1 4.12Å; M100-Y268 HydrophobicContact CG-CG 4.08Å; M100-Y268 HydrophobicContact SD-CD1 4.16Å |
| 101 | K | 96.1 | Very high | 94 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 19% | 0.191 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | 178.6 | -72.9 | -176.5 | 166.9 | 179.2 | 0 | 110.9 | V41 F42 Y44 D111 M114 | V41-K101 CarbonylContact C-O 3.6Å; V41-K101 WeakPolarHBondContact CA-O 3.32Å; V41-K101 WeakPolarHBondContact CG1-O 3.41Å; F42-K101 PolarHBondContact N-O 3.05Å; F42-K101 PolarHBondContact O-N 3.17Å; Y44-K101 HydrophobicContact CD1-CD 3.77Å; Y44-K101 VanDerWaalsContact CD1-NZ 3.3Å; Y44-K101 HydrophobicContact CE1-CD 4.46Å; Y44-K101 HydrophobicContact CG-CD 3.86Å; K101-D111 IonicContact NZ-OD2 2.69Å; K101-M114 HydrophobicContact CB-CE 3.42Å; K101-M114 VanDerWaalsContact CB-CE 3.42Å; K101-M114 HydrophobicContact CD-CE 3.76Å; K101-M114 HydrophobicContact CG-CE 4.27Å |
| 102 | P | 96.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 51 Ų | 51 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 159.4 | 170.4 | 26 | -30.4 | 0 | 0 | 0 | 111.3 | S40 Y110 | S40-P102 CarbonylContact O-C 3.49Å; S40-P102 WeakPolarHBondContact O-CA 3.22Å; P102-Y110 HydrophobicContact CB-CE1 4.26Å; P102-Y110 VanDerWaalsContact CD-OH 3.28Å; P102-Y110 WeakPolarHBondContact CD-OH 3.33Å; P102-Y110 HydrophobicContact CG-CE1 3.86Å; P102-Y110 WeakPolarHBondContact CG-OH 3.44Å; P102-Y110 WeakPolarHBondContact O-CE1 3.45Å; P102-Y110 PolarHBondContact O-OH 2.92Å |
| 103 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.8 | -37.3 | 170.8 | -177.7 | 65.9 | 0 | 0 | 0 | 111.4 | F24 S40 F42 Y110 M114 F115 L118 | F24-L103 HydrophobicContact CB-CD2 4.4Å; F24-L103 HydrophobicContact CD2-CD2 3.39Å; F24-L103 HydrophobicContact CE2-CD2 3.94Å; F24-L103 HydrophobicContact CG-CD2 4.14Å; S40-L103 PolarHBondContact O-N 3.19Å; F42-L103 HydrophobicContact CD2-CB 4.37Å; F42-L103 HydrophobicContact CD2-CD1 4.49Å; F42-L103 HydrophobicContact CE2-CB 4.08Å; F42-L103 HydrophobicContact CE2-CD1 4.16Å; F42-L103 HydrophobicContact CE2-CD2 4.21Å; F42-L103 HydrophobicContact CE2-CG 4.39Å; L103-Y110 WeakPolarHBondContact O-CD1 3.5Å; L103-M114 HydrophobicContact CD1-SD 4.12Å; L103-F115 HydrophobicContact CD1-CD2 3.99Å; L103-L118 HydrophobicContact CD1-CD2 3.79Å; L103-L118 HydrophobicContact CD2-CD2 3.8Å; L103-L118 HydrophobicContact CG-CD2 4.44Å |
| 104 | L | 96.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146 | -170.5 | -53.4 | 176.9 | 0 | 0 | 0 | 110.8 | P19 G20 M108 I109 | P19-L104 HydrophobicContact CB-CD1 4.01Å; P19-L104 HydrophobicContact CB-CD2 4.25Å; P19-L104 WeakPolarHBondContact O-CD1 3.44Å; G20-L104 WeakPolarHBondContact O-CD1 3.46Å; L104-M108 CarbonylContact C-O 3.59Å; L104-M108 VanDerWaalsContact CA-O 3.29Å; L104-M108 WeakPolarHBondContact CA-O 3.29Å; L104-I109 HydrophobicContact CD2-CB 4.45Å; L104-I109 HydrophobicContact CD2-CG1 3.76Å |
| 105 | E | 92 | Very high | 94.8 | Very high | 131 Ų | 131 | 43.9 Ų | 43.9 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.5 | 167.3 | -174 | 178 | -166.2 | 0 | 0 | 108.1 | G107 M108 Y110 | E105-G107 PolarHBondContact O-N 3.09Å; E105-G107 VanDerWaalsContact O-N 3.1Å; E105-M108 PolarHBondContact N-O 2.83Å; E105-M108 PolarHBondContact O-N 2.72Å; E105-Y110 HydrophobicContact CB-CD1 3.99Å; E105-Y110 HydrophobicContact CB-CG 4.35Å |
| 106 | D | 89.6 | Confident | 95 | Very high | 73 Ų | 73 | 42.4 Ų | 42.4 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.9 | -173.6 | -165.8 | 31 | 0 | 0 | 0 | 113.7 | M108 W143 R210 | D106-M108 VanDerWaalsContact C-N 3.31Å; D106-M108 HydrophobicContact CB-CE 4.04Å; D106-M108 PolarHBondContact O-N 3.06Å; D106-W143 PolarHBondContact O-NE1 2.9Å; D106-R210 IonicContact OD1-CZ 2.75Å; D106-R210 IonicContact OD1-NH1 2.96Å; D106-R210 PolarHBondContact OD1-NH1 3Å; D106-R210 IonicContact OD2-CZ 3.85Å; D106-R210 IonicContact OD2-NH1 3.92Å; D106-R210 PolarHBondContact OD2-NH1 2.96Å; D106-R210 IonicContact OD2-NH2 3.28Å; D106-R210 PolarHBondContact OD2-NH2 2.98Å |
| 107 | G | 91.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 7.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N21 E105 P141 | N21-G107 PolarHBondContact OD1-N 2.88Å; E105-G107 PolarHBondContact O-N 3.09Å; E105-G107 VanDerWaalsContact O-N 3.1Å; G107-P141 WeakPolarHBondContact O-CG 3.43Å |
| 108 | M | 95.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 14% | 0.143 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.2 | -179.8 | -61.9 | 175.9 | -76 | 0 | 0 | 111.5 | L104 E105 D106 Y110 T145 K148 | L104-M108 CarbonylContact C-O 3.59Å; L104-M108 VanDerWaalsContact CA-O 3.29Å; L104-M108 WeakPolarHBondContact CA-O 3.29Å; E105-M108 PolarHBondContact N-O 2.83Å; E105-M108 PolarHBondContact O-N 2.72Å; D106-M108 VanDerWaalsContact C-N 3.31Å; D106-M108 HydrophobicContact CB-CE 4.04Å; D106-M108 PolarHBondContact O-N 3.06Å; M108-Y110 PolarHBondContact O-N 2.88Å; M108-T145 HydrophobicContact SD-CG2 3.92Å; M108-K148 HydrophobicContact CB-CD 3.82Å; M108-K148 HydrophobicContact CG-CD 4.36Å; M108-K148 HydrophobicContact SD-CD 4.14Å |
| 109 | I | 96.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 125.1 | 175.1 | -59.8 | 160.2 | 0 | 0 | 0 | 109.1 | L104 W112 F115 K148 L152 | L104-I109 HydrophobicContact CD2-CB 4.45Å; L104-I109 HydrophobicContact CD2-CG1 3.76Å; I109-W112 HydrophobicContact CB-CH2 4.37Å; I109-W112 HydrophobicContact CB-CZ2 4.38Å; I109-W112 HydrophobicContact CD1-CH2 4.15Å; I109-W112 HydrophobicContact CD1-CZ3 4.16Å; I109-W112 HydrophobicContact CG2-CD2 4.07Å; I109-W112 HydrophobicContact CG2-CE3 4.07Å; I109-W112 HydrophobicContact CG2-CH2 4.37Å; I109-W112 HydrophobicContact CG2-CZ2 4.37Å; I109-W112 HydrophobicContact CG2-CZ3 4.23Å; I109-F115 HydrophobicContact CD1-CD1 4.14Å; I109-F115 HydrophobicContact CD1-CD2 3.62Å; I109-F115 HydrophobicContact CD1-CE1 3.93Å; I109-F115 HydrophobicContact CD1-CE2 3.39Å; I109-F115 HydrophobicContact CD1-CG 4Å; I109-F115 HydrophobicContact CD1-CZ 3.54Å; I109-F115 HydrophobicContact CG1-CD2 3.82Å; I109-F115 HydrophobicContact CG1-CE2 3.92Å; I109-F115 HydrophobicContact CG1-CG 4.38Å; I109-F115 HydrophobicContact CG2-CB 3.74Å; I109-F115 HydrophobicContact CG2-CD2 4Å; I109-F115 HydrophobicContact CG2-CG 3.85Å; I109-K148 PolarHBondContact O-NZ 2.8Å; I109-L152 HydrophobicContact CD1-CD1 4.37Å; I109-L152 HydrophobicContact CD1-CD2 4.34Å |
| 110 | Y | 93.5 | Very high | 95.4 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 28% | 0.282 | 16% | 0.16 | S | C | . | . | trans | -112.8 | -32.3 | 179.8 | 76.9 | -89.6 | 0 | 0 | 0 | 113.4 | P102 L103 E105 M108 | P102-Y110 HydrophobicContact CB-CE1 4.26Å; P102-Y110 VanDerWaalsContact CD-OH 3.28Å; P102-Y110 WeakPolarHBondContact CD-OH 3.33Å; P102-Y110 HydrophobicContact CG-CE1 3.86Å; P102-Y110 WeakPolarHBondContact CG-OH 3.44Å; P102-Y110 WeakPolarHBondContact O-CE1 3.45Å; P102-Y110 PolarHBondContact O-OH 2.92Å; L103-Y110 WeakPolarHBondContact O-CD1 3.5Å; E105-Y110 HydrophobicContact CB-CD1 3.99Å; E105-Y110 HydrophobicContact CB-CG 4.35Å; M108-Y110 PolarHBondContact O-N 2.88Å | ||
| 111 | D | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | trans | -106.6 | 98.2 | 177.5 | -169 | -28.3 | 0 | 0 | 0 | 109.7 | K101 D113 M114 F115 | K101-D111 IonicContact NZ-OD2 2.69Å; D111-D113 PolarHBondContact OD1-N 2.86Å; D111-M114 HydrophobicContact CB-CB 3.97Å; D111-M114 HydrophobicContact CB-CE 4.31Å; D111-M114 PolarHBondContact OD1-N 2.73Å; D111-F115 WeakPolarHBondContact O-CB 2.99Å; D111-F115 PolarHBondContact O-N 3.48Å | ||
| 112 | W | 96.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.5 | -28.5 | -176.9 | -71.6 | 104.6 | 0 | 0 | 0 | 113.7 | I109 F115 E116 K148 Q151 L152 L155 | I109-W112 HydrophobicContact CB-CH2 4.37Å; I109-W112 HydrophobicContact CB-CZ2 4.38Å; I109-W112 HydrophobicContact CD1-CH2 4.15Å; I109-W112 HydrophobicContact CD1-CZ3 4.16Å; I109-W112 HydrophobicContact CG2-CD2 4.07Å; I109-W112 HydrophobicContact CG2-CE3 4.07Å; I109-W112 HydrophobicContact CG2-CH2 4.37Å; I109-W112 HydrophobicContact CG2-CZ2 4.37Å; I109-W112 HydrophobicContact CG2-CZ3 4.23Å; W112-F115 HydrophobicContact CE3-CD1 4.23Å; W112-F115 HydrophobicContact CZ3-CD1 4.21Å; W112-F115 PolarHBondContact O-N 3.34Å; W112-E116 WeakPolarHBondContact O-CB 3.42Å; W112-E116 PolarHBondContact O-N 3.25Å; W112-K148 WeakPolarHBondContact CH2-O 3.31Å; W112-K148 HydrophobicContact CZ2-CB 4.16Å; W112-K148 HydrophobicContact CZ2-CG 4.3Å; W112-Q151 HydrophobicContact CD2-CB 4.49Å; W112-Q151 HydrophobicContact CH2-CB 3.71Å; W112-Q151 HydrophobicContact CZ2-CB 3.49Å; W112-Q151 VanDerWaalsContact CZ2-CB 3.49Å; W112-Q151 HydrophobicContact CZ2-CG 4.44Å; W112-Q151 VanDerWaalsContact CZ2-OE1 3.3Å; W112-Q151 HydrophobicContact CZ3-CB 4.3Å; W112-L152 HydrophobicContact CH2-CB 3.87Å; W112-L152 HydrophobicContact CZ3-CB 4.15Å; W112-L152 HydrophobicContact CZ3-CD1 4.19Å; W112-L155 HydrophobicContact CE3-CD2 4.31Å; W112-L155 HydrophobicContact CZ3-CD2 4.4Å |
| 113 | D | 96.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 175.5 | 178.2 | 55.1 | 0 | 0 | 0 | 110.4 | R80 S81 Y84 D111 F115 T117 | R80-D113 WeakPolarHBondContact CA-OD1 3.44Å; R80-D113 WeakPolarHBondContact CB-OD1 3.46Å; R80-D113 VanDerWaalsContact CG-OD1 3.26Å; R80-D113 WeakPolarHBondContact CG-OD1 3.31Å; R80-D113 PolarHBondContact N-OD1 2.94Å; R80-D113 PolarHBondContact N-OD2 3.4Å; S81-D113 VanDerWaalsContact CB-OD2 3.25Å; S81-D113 WeakPolarHBondContact CB-OD2 3.43Å; S81-D113 PolarHBondContact N-OD2 2.76Å; S81-D113 PolarHBondContact OG-OD2 2.84Å; Y84-D113 WeakPolarHBondContact CE2-OD2 3.29Å; Y84-D113 PolarHBondContact OH-OD2 3.03Å; D111-D113 PolarHBondContact OD1-N 2.86Å; D113-F115 VanDerWaalsContact C-N 3.35Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 3.2Å; D113-T117 VanDerWaalsContact O-N 3.09Å; D113-T117 PolarHBondContact O-OG1 3.07Å |
| 114 | M | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 171.3 | -175.1 | -169.3 | -54.4 | 0 | 0 | 111.3 | F42 Y84 F86 K101 L103 D111 T117 L118 | F42-M114 HydrophobicContact CB-SD 4.37Å; F42-M114 HydrophobicContact CD2-SD 3.91Å; Y84-M114 HydrophobicContact CD1-CB 4.14Å; Y84-M114 HydrophobicContact CD1-CE 4.4Å; Y84-M114 HydrophobicContact CD1-CG 3.74Å; Y84-M114 HydrophobicContact CE1-CB 3.49Å; Y84-M114 VanDerWaalsContact CE1-CB 3.49Å; Y84-M114 HydrophobicContact CE1-CE 3.95Å; Y84-M114 HydrophobicContact CE1-CG 3.6Å; Y84-M114 PolarHBondContact OH-N 3.48Å; F86-M114 HydrophobicContact CE1-CG 4.04Å; F86-M114 HydrophobicContact CZ-CG 4.42Å; K101-M114 HydrophobicContact CB-CE 3.42Å; K101-M114 VanDerWaalsContact CB-CE 3.42Å; K101-M114 HydrophobicContact CD-CE 3.76Å; K101-M114 HydrophobicContact CG-CE 4.27Å; L103-M114 HydrophobicContact CD1-SD 4.12Å; D111-M114 HydrophobicContact CB-CB 3.97Å; D111-M114 HydrophobicContact CB-CE 4.31Å; D111-M114 PolarHBondContact OD1-N 2.73Å; M114-T117 PolarHBondContact O-N 3.27Å; M114-L118 WeakPolarHBondContact O-CB 3.3Å; M114-L118 PolarHBondContact O-N 3.41Å |
| 115 | F | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | -176 | -174.2 | -94.1 | 0 | 0 | 0 | 112.4 | F24 L103 I109 D111 W112 D113 T117 L118 M119 F138 L152 L155 M156 | F24-F115 HydrophobicContact CE2-CE2 4.27Å; L103-F115 HydrophobicContact CD1-CD2 3.99Å; I109-F115 HydrophobicContact CD1-CD1 4.14Å; I109-F115 HydrophobicContact CD1-CD2 3.62Å; I109-F115 HydrophobicContact CD1-CE1 3.93Å; I109-F115 HydrophobicContact CD1-CE2 3.39Å; I109-F115 HydrophobicContact CD1-CG 4Å; I109-F115 HydrophobicContact CD1-CZ 3.54Å; I109-F115 HydrophobicContact CG1-CD2 3.82Å; I109-F115 HydrophobicContact CG1-CE2 3.92Å; I109-F115 HydrophobicContact CG1-CG 4.38Å; I109-F115 HydrophobicContact CG2-CB 3.74Å; I109-F115 HydrophobicContact CG2-CD2 4Å; I109-F115 HydrophobicContact CG2-CG 3.85Å; D111-F115 WeakPolarHBondContact O-CB 2.99Å; D111-F115 PolarHBondContact O-N 3.48Å; W112-F115 HydrophobicContact CE3-CD1 4.23Å; W112-F115 HydrophobicContact CZ3-CD1 4.21Å; W112-F115 PolarHBondContact O-N 3.34Å; D113-F115 VanDerWaalsContact C-N 3.35Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 3.49Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 PolarHBondContact O-N 2.98Å; F115-M119 HydrophobicContact CD1-CG 4.14Å; F115-M119 HydrophobicContact CE1-CE 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.75Å; F115-M119 HydrophobicContact CE1-SD 4.24Å; F115-M119 HydrophobicContact CE2-CE 3.99Å; F115-M119 HydrophobicContact CZ-CE 3.95Å; F115-M119 HydrophobicContact CZ-CG 4.14Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.46Å; F115-M119 PolarHBondContact O-N 3.07Å; F115-F138 HydrophobicContact CE1-CZ 4.48Å; F115-F138 HydrophobicContact CE2-CE1 4.16Å; F115-F138 AromaticContact CZ-CE1 3.55Å; F115-F138 HydrophobicContact CZ-CE1 3.55Å; F115-F138 AromaticContact CZ-CZ 3.71Å; F115-F138 HydrophobicContact CZ-CZ 3.71Å; F115-L152 HydrophobicContact CD1-CD1 4.43Å; F115-L152 HydrophobicContact CE1-CD1 3.44Å; F115-L152 VanDerWaalsContact CE1-CD1 3.44Å; F115-L152 HydrophobicContact CZ-CD1 3.84Å; F115-L155 HydrophobicContact CD1-CD2 3.61Å; F115-L155 HydrophobicContact CE1-CD2 3.87Å; F115-M156 HydrophobicContact CE1-CE 4.42Å |
| 116 | E | 97 | Very high | 94.5 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 173.5 | 179.4 | -173 | 157.4 | 0 | 0 | 111.3 | R80 W112 L118 M119 R120 L155 F160 | R80-E116 IonicContact CZ-OE2 3.79Å; R80-E116 IonicContact NE-OE2 3.32Å; R80-E116 IonicContact NH2-OE2 2.73Å; R80-E116 PolarHBondContact NH2-OE2 3.04Å; W112-E116 WeakPolarHBondContact O-CB 3.42Å; W112-E116 PolarHBondContact O-N 3.25Å; E116-L118 VanDerWaalsContact C-N 3.27Å; E116-L118 PolarHBondContact O-N 2.88Å; E116-M119 WeakPolarHBondContact O-CB 3.29Å; E116-M119 PolarHBondContact O-N 2.99Å; E116-M119 VanDerWaalsContact O-N 3.09Å; E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 IonicContact OE1-CZ 2.91Å; E116-R120 IonicContact OE1-NE 2.91Å; E116-R120 PolarHBondContact OE1-NE 2.64Å; E116-R120 IonicContact OE1-NH2 2.84Å; E116-R120 PolarHBondContact OE1-NH2 3.5Å; E116-L155 HydrophobicContact CB-CD1 4.04Å; E116-L155 HydrophobicContact CB-CD2 4.37Å; E116-L155 HydrophobicContact CG-CD1 3.94Å; E116-F160 HydrophobicContact CG-CE2 4.17Å; E116-F160 HydrophobicContact CG-CZ 3.92Å |
| 117 | T | 96.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 179.8 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | C77 G79 Y84 F86 D113 M114 F115 R120 Y121 | C77-T117 HydrophobicContact CB-CG2 3.59Å; G79-T117 WeakPolarHBondContact CA-OG1 3.37Å; Y84-T117 HydrophobicContact CD2-CG2 3.7Å; Y84-T117 HydrophobicContact CE2-CG2 4.44Å; Y84-T117 HydrophobicContact CG-CG2 4.46Å; F86-T117 HydrophobicContact CE2-CG2 3.8Å; F86-T117 HydrophobicContact CZ-CG2 4.07Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 3.2Å; D113-T117 VanDerWaalsContact O-N 3.09Å; D113-T117 PolarHBondContact O-OG1 3.07Å; M114-T117 PolarHBondContact O-N 3.27Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 3.49Å; T117-R120 PolarHBondContact O-N 3.44Å; T117-Y121 PolarHBondContact O-N 3.16Å |
| 118 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 172 | 176.4 | 65.8 | 0 | 0 | 0 | 111.4 | F24 L38 F42 F86 L103 M114 F115 E116 Y121 C122 | F24-L118 HydrophobicContact CD1-CD2 4.43Å; F24-L118 HydrophobicContact CD2-CD2 4.4Å; F24-L118 HydrophobicContact CE1-CD2 4.34Å; F24-L118 HydrophobicContact CE2-CD2 4.32Å; F24-L118 HydrophobicContact CG-CD2 4.47Å; F24-L118 HydrophobicContact CZ-CD2 4.3Å; L38-L118 HydrophobicContact CD1-CD1 4.01Å; F42-L118 HydrophobicContact CE1-CD1 4.4Å; F42-L118 HydrophobicContact CE2-CD1 4.12Å; F42-L118 HydrophobicContact CE2-CD2 3.72Å; F42-L118 HydrophobicContact CZ-CD1 3.79Å; F42-L118 HydrophobicContact CZ-CD2 4.03Å; F86-L118 HydrophobicContact CB-CD1 4.2Å; F86-L118 HydrophobicContact CD1-CB 4.34Å; F86-L118 HydrophobicContact CD1-CD1 3.63Å; F86-L118 HydrophobicContact CD2-CD1 4.28Å; F86-L118 HydrophobicContact CE1-CB 3.82Å; F86-L118 HydrophobicContact CE1-CD1 4Å; F86-L118 HydrophobicContact CE1-CG 4.45Å; F86-L118 HydrophobicContact CE2-CB 4.23Å; F86-L118 HydrophobicContact CG-CD1 3.79Å; F86-L118 HydrophobicContact CZ-CB 3.75Å; F86-L118 HydrophobicContact CZ-CD1 4.45Å; L103-L118 HydrophobicContact CD1-CD2 3.79Å; L103-L118 HydrophobicContact CD2-CD2 3.8Å; L103-L118 HydrophobicContact CG-CD2 4.44Å; M114-L118 WeakPolarHBondContact O-CB 3.3Å; M114-L118 PolarHBondContact O-N 3.41Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 PolarHBondContact O-N 2.98Å; E116-L118 VanDerWaalsContact C-N 3.27Å; E116-L118 PolarHBondContact O-N 2.88Å; L118-Y121 HydrophobicContact CD1-CD1 4.44Å; L118-Y121 WeakPolarHBondContact O-CB 3.45Å; L118-Y121 PolarHBondContact O-N 3.44Å; L118-C122 PolarHBondContact O-N 3.08Å; L118-C122 PolarHBondContact O-SG 3.47Å; L118-C122 VanDerWaalsContact O-SG 3.37Å |
| 119 | M | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.8 | -71.4 | -52.6 | 98 | 0 | 0 | 111.4 | F17 F24 F115 E116 Y121 C122 F123 F138 M156 F160 | F17-M119 HydrophobicContact CD1-CE 4.31Å; F17-M119 HydrophobicContact CD1-SD 4.11Å; F17-M119 HydrophobicContact CE1-CE 4.23Å; F17-M119 HydrophobicContact CE1-SD 3.79Å; F17-M119 HydrophobicContact CZ-SD 4.3Å; F24-M119 HydrophobicContact CE1-CE 4Å; F24-M119 HydrophobicContact CE2-CE 4.23Å; F24-M119 HydrophobicContact CZ-CE 3.41Å; F24-M119 VanDerWaalsContact CZ-CE 3.41Å; F115-M119 HydrophobicContact CD1-CG 4.14Å; F115-M119 HydrophobicContact CE1-CE 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.75Å; F115-M119 HydrophobicContact CE1-SD 4.24Å; F115-M119 HydrophobicContact CE2-CE 3.99Å; F115-M119 HydrophobicContact CZ-CE 3.95Å; F115-M119 HydrophobicContact CZ-CG 4.14Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.46Å; F115-M119 PolarHBondContact O-N 3.07Å; E116-M119 WeakPolarHBondContact O-CB 3.29Å; E116-M119 PolarHBondContact O-N 2.99Å; E116-M119 VanDerWaalsContact O-N 3.09Å; M119-Y121 VanDerWaalsContact C-N 3.31Å; M119-Y121 PolarHBondContact O-N 3.34Å; M119-C122 PolarHBondContact O-N 2.99Å; M119-C122 VanDerWaalsContact O-N 3.16Å; M119-F123 HydrophobicContact CB-CE2 4.11Å; M119-F123 WeakPolarHBondContact O-CD2 3.36Å; M119-F123 WeakPolarHBondContact O-CG 3.43Å; M119-F123 PolarHBondContact O-N 3.44Å; M119-F138 HydrophobicContact CE-CZ 4.45Å; M119-F138 HydrophobicContact SD-CZ 3.7Å; M119-M156 HydrophobicContact CG-CE 4.05Å; M119-F160 HydrophobicContact CB-CE1 4.23Å; M119-F160 HydrophobicContact CB-CE2 3.67Å; M119-F160 HydrophobicContact CB-CZ 3.45Å; M119-F160 VanDerWaalsContact CB-CZ 3.45Å; M119-F160 HydrophobicContact CG-CE2 4.24Å; M119-F160 HydrophobicContact CG-CZ 4.48Å |
| 120 | R | 94.9 | Very high | 92.9 | Very high | 118 Ų | 118 | 36 Ų | 36 | 45% | 0.445 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 172 | -67.1 | 178.6 | -172.5 | -72.3 | -1.8 | 111.5 | E116 T117 F123 Q124 F160 | E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 IonicContact OE1-CZ 2.91Å; E116-R120 IonicContact OE1-NE 2.91Å; E116-R120 PolarHBondContact OE1-NE 2.64Å; E116-R120 IonicContact OE1-NH2 2.84Å; E116-R120 PolarHBondContact OE1-NH2 3.5Å; T117-R120 PolarHBondContact O-N 3.44Å; R120-F123 PolarHBondContact O-N 3.4Å; R120-Q124 VanDerWaalsContact O-CB 3.26Å; R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 PolarHBondContact O-N 3.26Å; R120-F160 HydrophobicContact CG-CE1 3.68Å; R120-F160 HydrophobicContact CG-CZ 3.89Å |
| 121 | Y | 94.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 174.8 | 172.9 | -86.2 | 0 | 0 | 0 | 112.3 | L38 F86 T117 L118 M119 Q124 F125 | L38-Y121 HydrophobicContact CD1-CD1 4.41Å; L38-Y121 HydrophobicContact CD1-CE1 4.12Å; L38-Y121 HydrophobicContact CD2-CE1 4.43Å; F86-Y121 HydrophobicContact CB-CD1 3.94Å; F86-Y121 HydrophobicContact CB-CD2 4.1Å; F86-Y121 HydrophobicContact CB-CE1 4Å; F86-Y121 HydrophobicContact CB-CE2 4.14Å; F86-Y121 HydrophobicContact CB-CG 4.02Å; F86-Y121 HydrophobicContact CD2-CD1 4.3Å; F86-Y121 AromaticContact CD2-CD2 3.93Å; F86-Y121 HydrophobicContact CD2-CD2 3.93Å; F86-Y121 AromaticContact CD2-CG 3.69Å; F86-Y121 HydrophobicContact CD2-CG 3.69Å; F86-Y121 HydrophobicContact CG-CD1 4.44Å; F86-Y121 HydrophobicContact CG-CG 4.24Å; T117-Y121 PolarHBondContact O-N 3.16Å; L118-Y121 HydrophobicContact CD1-CD1 4.44Å; L118-Y121 WeakPolarHBondContact O-CB 3.45Å; L118-Y121 PolarHBondContact O-N 3.44Å; M119-Y121 VanDerWaalsContact C-N 3.31Å; M119-Y121 PolarHBondContact O-N 3.34Å; Y121-Q124 PolarHBondContact O-N 3.44Å; Y121-F125 AromaticContact CD2-CD2 3.29Å; Y121-F125 HydrophobicContact CD2-CD2 3.29Å; Y121-F125 AromaticContact CD2-CE2 3.71Å; Y121-F125 HydrophobicContact CD2-CE2 3.71Å; Y121-F125 HydrophobicContact CD2-CG 4.35Å; Y121-F125 HydrophobicContact CE2-CB 4.45Å; Y121-F125 AromaticContact CE2-CD2 3.54Å; Y121-F125 HydrophobicContact CE2-CD2 3.54Å; Y121-F125 HydrophobicContact CE2-CE2 4.1Å; Y121-F125 HydrophobicContact CE2-CG 4.24Å; Y121-F125 AromaticContact CG-CD2 3.89Å; Y121-F125 HydrophobicContact CG-CD2 3.89Å; Y121-F125 WeakPolarHBondContact O-CB 3.47Å; Y121-F125 WeakPolarHBondContact O-CD2 3.47Å; Y121-F125 PolarHBondContact O-N 3.34Å |
| 122 | C | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -62.3 | -47.5 | 179.1 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | F17 L118 M119 Q124 C126 F127 | F17-C122 HydrophobicContact CE1-CB 4.04Å; L118-C122 PolarHBondContact O-N 3.08Å; L118-C122 PolarHBondContact O-SG 3.47Å; L118-C122 VanDerWaalsContact O-SG 3.37Å; M119-C122 PolarHBondContact O-N 2.99Å; M119-C122 VanDerWaalsContact O-N 3.16Å; C122-Q124 PolarHBondContact O-N 2.95Å; C122-C126 WeakPolarHBondContact O-CA 3.26Å; C122-C126 WeakPolarHBondContact O-CB 3.49Å; C122-C126 PolarHBondContact O-N 3.34Å; C122-F127 PolarHBondContact O-N 3.02Å |
| 123 | F | 93.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -60.8 | -46.1 | 177.3 | -64 | -40.1 | 0 | 0 | 0 | 111.5 | L15 F17 M119 R120 F127 L128 N129 H131 I136 F160 | L15-F123 HydrophobicContact CD1-CD1 4.35Å; L15-F123 HydrophobicContact CD1-CE1 4.11Å; F17-F123 HydrophobicContact CE2-CE1 4.12Å; F17-F123 HydrophobicContact CZ-CD1 4.32Å; F17-F123 AromaticContact CZ-CE1 3.6Å; F17-F123 HydrophobicContact CZ-CE1 3.6Å; F17-F123 HydrophobicContact CZ-CZ 4.17Å; M119-F123 HydrophobicContact CB-CE2 4.11Å; M119-F123 WeakPolarHBondContact O-CD2 3.36Å; M119-F123 WeakPolarHBondContact O-CG 3.43Å; M119-F123 PolarHBondContact O-N 3.44Å; R120-F123 PolarHBondContact O-N 3.4Å; F123-F127 HydrophobicContact CD1-CD2 4.1Å; F123-F127 CarbonylContact O-C 3.55Å; F123-L128 PolarHBondContact O-N 3.49Å; F123-N129 WeakPolarHBondContact O-CA 3.17Å; F123-N129 PolarHBondContact O-N 2.89Å; F123-H131 HydrophobicContact CB-CB 4.45Å; F123-H131 HydrophobicContact CD1-CB 3.41Å; F123-H131 VanDerWaalsContact CD1-CB 3.41Å; F123-H131 AromaticContact CD1-CD2 3.75Å; F123-H131 AromaticContact CD1-CG 3.59Å; F123-H131 AromaticContact CD2-CD2 3.44Å; F123-H131 VanDerWaalsContact CD2-CD2 3.44Å; F123-H131 WeakPolarHBondContact CD2-CD2 3.39Å; F123-H131 AromaticContact CD2-NE2 3.64Å; F123-H131 HydrophobicContact CE1-CB 3.73Å; F123-H131 AromaticContact CE1-CD2 3.94Å; F123-H131 AromaticContact CE2-CD2 3.65Å; F123-H131 HydrophobicContact CG-CB 3.96Å; F123-H131 AromaticContact CG-CD2 3.51Å; F123-H131 AromaticContact CG-CG 3.57Å; F123-H131 AromaticContact CG-NE2 3.92Å; F123-H131 AromaticContact CZ-CD2 3.91Å; F123-I136 HydrophobicContact CE1-CD1 3.64Å; F123-I136 HydrophobicContact CZ-CD1 3.45Å; F123-I136 VanDerWaalsContact CZ-CD1 3.45Å; F123-F160 AromaticContact CD2-CD1 3.73Å; F123-F160 HydrophobicContact CD2-CD1 3.73Å; F123-F160 AromaticContact CD2-CE1 3.79Å; F123-F160 HydrophobicContact CD2-CE1 3.79Å; F123-F160 HydrophobicContact CD2-CG 4.47Å; F123-F160 HydrophobicContact CE2-CB 4.23Å; F123-F160 AromaticContact CE2-CD1 3.41Å; F123-F160 HydrophobicContact CE2-CD1 3.41Å; F123-F160 VanDerWaalsContact CE2-CD1 3.41Å; F123-F160 HydrophobicContact CE2-CD2 4.24Å; F123-F160 AromaticContact CE2-CE1 3.7Å; F123-F160 HydrophobicContact CE2-CE1 3.7Å; F123-F160 HydrophobicContact CE2-CE2 4.48Å; F123-F160 AromaticContact CE2-CG 3.71Å; F123-F160 HydrophobicContact CE2-CG 3.71Å; F123-F160 HydrophobicContact CE2-CZ 4.24Å |
| 124 | Q | 91.4 | Very high | 90.4 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -68.6 | -48 | -177.9 | -172.2 | 177.8 | 11.2 | 0 | 0 | 113.5 | R120 Y121 C122 L128 N129 | R120-Q124 VanDerWaalsContact O-CB 3.26Å; R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 PolarHBondContact O-N 3.26Å; Y121-Q124 PolarHBondContact O-N 3.44Å; C122-Q124 PolarHBondContact O-N 2.95Å; Q124-L128 WeakPolarHBondContact O-CA 3.49Å; Q124-N129 WeakPolarHBondContact CA-OD1 3.48Å |
| 125 | F | 90.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 11% | 0.114 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -105.3 | -27 | -167.2 | -60.9 | -65.8 | 0 | 0 | 0 | 114.6 | L73 R74 Y121 | L73-F125 HydrophobicContact CB-CZ 4.16Å; L73-F125 HydrophobicContact CD2-CZ 4.45Å; R74-F125 HydrophobicContact CG-CD1 3.55Å; R74-F125 HydrophobicContact CG-CD2 4.48Å; R74-F125 HydrophobicContact CG-CE1 3.52Å; R74-F125 HydrophobicContact CG-CE2 4.45Å; R74-F125 HydrophobicContact CG-CG 4.05Å; R74-F125 HydrophobicContact CG-CZ 3.99Å; Y121-F125 AromaticContact CD2-CD2 3.29Å; Y121-F125 HydrophobicContact CD2-CD2 3.29Å; Y121-F125 AromaticContact CD2-CE2 3.71Å; Y121-F125 HydrophobicContact CD2-CE2 3.71Å; Y121-F125 HydrophobicContact CD2-CG 4.35Å; Y121-F125 HydrophobicContact CE2-CB 4.45Å; Y121-F125 AromaticContact CE2-CD2 3.54Å; Y121-F125 HydrophobicContact CE2-CD2 3.54Å; Y121-F125 HydrophobicContact CE2-CE2 4.1Å; Y121-F125 HydrophobicContact CE2-CG 4.24Å; Y121-F125 AromaticContact CG-CD2 3.89Å; Y121-F125 HydrophobicContact CG-CD2 3.89Å; Y121-F125 WeakPolarHBondContact O-CB 3.47Å; Y121-F125 WeakPolarHBondContact O-CD2 3.47Å; Y121-F125 PolarHBondContact O-N 3.34Å |
| 126 | C | 90.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -93.1 | -44 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | L26 Y36 C122 | L26-C126 HydrophobicContact CD1-CB 3.45Å; L26-C126 VanDerWaalsContact CD1-CB 3.45Å; Y36-C126 HydrophobicContact CD1-CB 4.34Å; Y36-C126 HydrophobicContact CD2-CB 3.7Å; Y36-C126 HydrophobicContact CE1-CB 4.39Å; Y36-C126 HydrophobicContact CE2-CB 3.74Å; Y36-C126 WeakPolarHBondContact CE2-O 3.31Å; Y36-C126 HydrophobicContact CG-CB 4.02Å; Y36-C126 VanDerWaalsContact CZ-O 3.22Å; Y36-C126 PolarHBondContact OH-O 2.88Å; C122-C126 WeakPolarHBondContact O-CA 3.26Å; C122-C126 WeakPolarHBondContact O-CB 3.49Å; C122-C126 PolarHBondContact O-N 3.34Å |
| 127 | F | 90.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -100.7 | 1.1 | -178.6 | -61.9 | -63.9 | 0 | 0 | 0 | 114.4 | L15 F17 L26 Y28 C122 F123 N129 Q130 | L15-F127 HydrophobicContact CB-CZ 4.25Å; L15-F127 HydrophobicContact CD1-CD1 4.33Å; L15-F127 HydrophobicContact CD1-CD2 4Å; L15-F127 HydrophobicContact CD1-CE2 4.22Å; L15-F127 HydrophobicContact CD1-CG 4.03Å; L15-F127 HydrophobicContact CD1-CZ 4.49Å; L15-F127 HydrophobicContact CD2-CD1 3.7Å; L15-F127 HydrophobicContact CD2-CE1 3.66Å; L15-F127 HydrophobicContact CD2-CG 4.24Å; L15-F127 HydrophobicContact CD2-CZ 4.15Å; L15-F127 HydrophobicContact CG-CE1 4.49Å; F17-F127 AromaticContact CE1-CE2 3.89Å; F17-F127 HydrophobicContact CE1-CE2 3.89Å; F17-F127 HydrophobicContact CE2-CE2 4.14Å; F17-F127 HydrophobicContact CZ-CD2 4.22Å; F17-F127 AromaticContact CZ-CE2 3.49Å; F17-F127 HydrophobicContact CZ-CE2 3.49Å; F17-F127 VanDerWaalsContact CZ-CE2 3.49Å; F17-F127 HydrophobicContact CZ-CZ 4.37Å; L26-F127 HydrophobicContact CB-CE2 4.35Å; L26-F127 HydrophobicContact CB-CZ 4.09Å; L26-F127 HydrophobicContact CD1-CD2 4.18Å; L26-F127 HydrophobicContact CD1-CE1 4.28Å; L26-F127 HydrophobicContact CD1-CE2 3.4Å; L26-F127 VanDerWaalsContact CD1-CE2 3.4Å; L26-F127 HydrophobicContact CD1-CZ 3.49Å; L26-F127 VanDerWaalsContact CD1-CZ 3.49Å; L26-F127 HydrophobicContact CG-CE2 4.48Å; L26-F127 HydrophobicContact CG-CZ 4.38Å; Y28-F127 HydrophobicContact CD1-CE1 4.42Å; Y28-F127 AromaticContact CE1-CD1 3.82Å; Y28-F127 HydrophobicContact CE1-CD1 3.82Å; Y28-F127 AromaticContact CE1-CE1 3.99Å; Y28-F127 HydrophobicContact CE1-CE1 3.99Å; Y28-F127 HydrophobicContact CE2-CD1 4.33Å; Y28-F127 HydrophobicContact CE2-CE1 4.26Å; Y28-F127 AromaticContact CZ-CD1 3.64Å; Y28-F127 AromaticContact CZ-CE1 3.91Å; Y28-F127 WeakPolarHBondContact OH-CD1 3.29Å; C122-F127 PolarHBondContact O-N 3.02Å; F123-F127 HydrophobicContact CD1-CD2 4.1Å; F123-F127 CarbonylContact O-C 3.55Å; F127-N129 VanDerWaalsContact C-N 3.26Å; F127-N129 PolarHBondContact O-N 3.28Å; F127-Q130 WeakPolarHBondContact O-CB 3.35Å; F127-Q130 WeakPolarHBondContact O-CG 3.42Å; F127-Q130 PolarHBondContact O-N 3.32Å |
| 128 | L | 86.8 | Confident | 90.2 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 59% | 0.592 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.7 | 176.3 | -53.4 | 178 | 0 | 0 | 0 | 113.1 | F123 Q124 Q130 | F123-L128 PolarHBondContact O-N 3.49Å; Q124-L128 WeakPolarHBondContact O-CA 3.49Å; L128-Q130 PolarHBondContact O-N 2.97Å |
| 129 | N | 82 | Confident | 90.3 | Very high | 92 Ų | 92 | 40.7 Ų | 40.7 | 49% | 0.492 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 10 | -176 | -59 | -44.6 | 0 | 0 | 0 | 115.8 | F123 Q124 F127 H131 | F123-N129 WeakPolarHBondContact O-CA 3.17Å; F123-N129 PolarHBondContact O-N 2.89Å; Q124-N129 WeakPolarHBondContact CA-OD1 3.48Å; F127-N129 VanDerWaalsContact C-N 3.26Å; F127-N129 PolarHBondContact O-N 3.28Å; N129-H131 PolarHBondContact O-N 2.94Å; N129-H131 PolarHBondContact O-ND1 3.42Å |
| 130 | Q | 79.8 | Confident | 90.3 | Very high | 114 Ų | 114 | 40.9 Ų | 40.9 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 41.5 | -178 | -58.8 | -175.3 | -12.9 | 0 | 0 | 114.1 | F127 L128 K134 | F127-Q130 WeakPolarHBondContact O-CB 3.35Å; F127-Q130 WeakPolarHBondContact O-CG 3.42Å; F127-Q130 PolarHBondContact O-N 3.32Å; L128-Q130 PolarHBondContact O-N 2.97Å; Q130-K134 WeakPolarHBondContact O-CD 3.49Å; Q130-K134 VanDerWaalsContact O-CE 3.27Å; Q130-K134 WeakPolarHBondContact O-CE 3.48Å |
| 131 | H | 78.8 | Confident | 90.3 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -29.4 | -172.9 | 72 | -61.7 | 0 | 0 | 0 | 114.8 | L15 F123 N129 S133 K134 | L15-H131 HydrophobicContact CD1-CB 3.72Å; F123-H131 HydrophobicContact CB-CB 4.45Å; F123-H131 HydrophobicContact CD1-CB 3.41Å; F123-H131 VanDerWaalsContact CD1-CB 3.41Å; F123-H131 AromaticContact CD1-CD2 3.75Å; F123-H131 AromaticContact CD1-CG 3.59Å; F123-H131 AromaticContact CD2-CD2 3.44Å; F123-H131 VanDerWaalsContact CD2-CD2 3.44Å; F123-H131 WeakPolarHBondContact CD2-CD2 3.39Å; F123-H131 AromaticContact CD2-NE2 3.64Å; F123-H131 HydrophobicContact CE1-CB 3.73Å; F123-H131 AromaticContact CE1-CD2 3.94Å; F123-H131 AromaticContact CE2-CD2 3.65Å; F123-H131 HydrophobicContact CG-CB 3.96Å; F123-H131 AromaticContact CG-CD2 3.51Å; F123-H131 AromaticContact CG-CG 3.57Å; F123-H131 AromaticContact CG-NE2 3.92Å; F123-H131 AromaticContact CZ-CD2 3.91Å; N129-H131 PolarHBondContact O-N 2.94Å; N129-H131 PolarHBondContact O-ND1 3.42Å; H131-S133 PolarHBondContact O-N 2.87Å; H131-K134 PolarHBondContact O-N 2.93Å |
| 132 | E | 75.6 | Confident | 90.3 | Very high | 146 Ų | 146 | 36.6 Ų | 36.6 | 68% | 0.682 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.8 | -167.4 | -65.1 | 172.2 | -179.4 | 0 | 0 | 114.7 | ||
| 133 | S | 82.7 | Confident | 90.3 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | 12.2 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | H131 | H131-S133 PolarHBondContact O-N 2.87Š|
| 134 | K | 90.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -110.9 | 135.9 | -175.4 | -64.4 | -172 | 179.8 | -168.6 | 0 | 111.5 | N13 L15 Q130 H131 P163 | N13-K134 PolarHBondContact ND2-NZ 2.85Å; N13-K134 VanDerWaalsContact ND2-NZ 3.2Å; N13-K134 WeakPolarHBondContact O-CD 3.32Å; L15-K134 HydrophobicContact CD2-CD 3.75Å; L15-K134 HydrophobicContact CG-CB 4.08Å; L15-K134 HydrophobicContact CG-CD 4.05Å; Q130-K134 WeakPolarHBondContact O-CD 3.49Å; Q130-K134 VanDerWaalsContact O-CE 3.27Å; Q130-K134 WeakPolarHBondContact O-CE 3.48Å; H131-K134 PolarHBondContact O-N 2.93Å; K134-P163 WeakPolarHBondContact O-CD 3.38Å |
| 135 | P | 94.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | trans | -66.8 | 150.5 | 171.5 | 26.2 | -28.9 | 0 | 0 | 0 | 110.4 | Y7 V12 A14 L15 A164 W447 | Y7-P135 HydrophobicContact CE1-CG 3.95Å; V12-P135 HydrophobicContact CG1-CG 3.18Å; A14-P135 CarbonylContact C-O 3.59Å; A14-P135 VanDerWaalsContact CA-O 3.32Å; A14-P135 WeakPolarHBondContact CA-O 3.31Å; A14-P135 HydrophobicContact CB-CG 3.94Å; L15-P135 PolarHBondContact N-O 3.25Å; P135-A164 VanDerWaalsContact CA-O 3.24Å; P135-A164 WeakPolarHBondContact CA-O 3.36Å; P135-A164 HydrophobicContact CB-CB 3.83Å; P135-W447 HydrophobicContact CB-CD2 4.24Å; P135-W447 HydrophobicContact CB-CE3 4.08Å; P135-W447 HydrophobicContact CB-CH2 4.03Å; P135-W447 HydrophobicContact CB-CZ2 4.19Å; P135-W447 HydrophobicContact CB-CZ3 3.99Å; P135-W447 HydrophobicContact CG-CH2 4.45Å; P135-W447 HydrophobicContact CG-CZ2 4.25Å | ||
| 136 | I | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.3 | -176.7 | -61.4 | -160.7 | 0 | 0 | 0 | 110.2 | L15 F17 F123 F138 M156 V162 A164 F165 Y166 W447 | L15-I136 HydrophobicContact CB-CG1 4.38Å; L15-I136 WeakPolarHBondContact O-CA 3.36Å; F17-I136 HydrophobicContact CD2-CG2 3.68Å; F17-I136 HydrophobicContact CE2-CD1 4.2Å; F17-I136 HydrophobicContact CE2-CG2 3.75Å; F123-I136 HydrophobicContact CE1-CD1 3.64Å; F123-I136 HydrophobicContact CZ-CD1 3.45Å; F123-I136 VanDerWaalsContact CZ-CD1 3.45Å; I136-F138 HydrophobicContact CG2-CD2 3.66Å; I136-F138 HydrophobicContact CG2-CE2 3.59Å; I136-M156 HydrophobicContact CD1-SD 4.31Å; I136-M156 HydrophobicContact CG2-SD 4.4Å; I136-V162 HydrophobicContact CD1-CG1 3.48Å; I136-V162 VanDerWaalsContact CD1-CG1 3.48Å; I136-V162 HydrophobicContact CG1-CB 4.37Å; I136-V162 HydrophobicContact CG1-CG1 3.82Å; I136-A164 PolarHBondContact N-O 3.15Å; I136-F165 HydrophobicContact CB-CD2 4.3Å; I136-F165 HydrophobicContact CG2-CD2 4.32Å; I136-F165 HydrophobicContact CG2-CE2 4.44Å; I136-F165 WeakPolarHBondContact O-CA 3.13Å; I136-F165 VanDerWaalsContact O-CD2 3.29Å; I136-F165 WeakPolarHBondContact O-CD2 3.43Å; I136-Y166 PolarHBondContact O-N 2.75Å; I136-W447 WeakPolarHBondContact O-CZ3 3.5Å |
| 137 | F | 97.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.2 | 174.3 | -169 | -77.2 | 0 | 0 | 0 | 110.2 | L15 L16 F17 T139 Y166 L173 A434 V437 T438 F443 W447 | L15-F137 PolarHBondContact O-N 3.48Å; L16-F137 HydrophobicContact CD2-CB 3.55Å; L16-F137 HydrophobicContact CD2-CG 4.17Å; F17-F137 PolarHBondContact N-O 2.92Å; F137-T139 HydrophobicContact CE1-CG2 4.31Å; F137-Y166 AromaticContact CD2-CD1 3.84Å; F137-Y166 HydrophobicContact CD2-CD1 3.84Å; F137-Y166 HydrophobicContact CD2-CG 4.25Å; F137-Y166 AromaticContact CE2-CD1 3.35Å; F137-Y166 HydrophobicContact CE2-CD1 3.35Å; F137-Y166 AromaticContact CE2-CE1 4Å; F137-Y166 HydrophobicContact CE2-CE1 4Å; F137-Y166 HydrophobicContact CE2-CG 4.16Å; F137-Y166 AromaticContact CZ-CD1 3.96Å; F137-Y166 HydrophobicContact CZ-CD1 3.96Å; F137-Y166 HydrophobicContact CZ-CE1 4.4Å; F137-L173 HydrophobicContact CE1-CD1 3.83Å; F137-L173 HydrophobicContact CZ-CD1 4.04Å; F137-L173 HydrophobicContact CZ-CD2 4.03Å; F137-A434 HydrophobicContact CD1-CB 3.8Å; F137-A434 HydrophobicContact CE1-CB 3.58Å; F137-A434 HydrophobicContact CZ-CB 4.2Å; F137-V437 HydrophobicContact CE2-CG2 4.2Å; F137-V437 HydrophobicContact CZ-CG2 4.34Å; F137-T438 HydrophobicContact CB-CG2 4.12Å; F137-T438 HydrophobicContact CD2-CG2 3.36Å; F137-T438 HydrophobicContact CE2-CG2 3.9Å; F137-T438 HydrophobicContact CG-CG2 3.88Å; F137-F443 HydrophobicContact CD2-CE1 4.21Å; F137-F443 AromaticContact CD2-CZ 3.92Å; F137-F443 HydrophobicContact CD2-CZ 3.92Å; F137-F443 HydrophobicContact CE2-CE1 4.26Å; F137-F443 HydrophobicContact CE2-CE2 4.16Å; F137-F443 AromaticContact CE2-CZ 3.55Å; F137-F443 HydrophobicContact CE2-CZ 3.55Å; F137-W447 HydrophobicContact CB-CH2 3.92Å; F137-W447 HydrophobicContact CB-CZ3 4.19Å; F137-W447 HydrophobicContact CD2-CH2 4.13Å; F137-W447 HydrophobicContact CD2-CZ3 4.31Å |
| 138 | F | 97.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.3 | 171.2 | -93.7 | -98.6 | 0 | 0 | 0 | 111.4 | F17 P19 F24 F115 M119 I136 L152 M156 F165 Y166 L167 G168 | F17-F138 HydrophobicContact CB-CD1 3.59Å; F17-F138 HydrophobicContact CB-CD2 3.85Å; F17-F138 HydrophobicContact CB-CE1 3.3Å; F17-F138 HydrophobicContact CB-CE2 3.64Å; F17-F138 HydrophobicContact CB-CG 3.85Å; F17-F138 HydrophobicContact CB-CZ 3.35Å; F17-F138 HydrophobicContact CD1-CE1 4.37Å; F17-F138 HydrophobicContact CD1-CE2 4.38Å; F17-F138 AromaticContact CD1-CZ 3.85Å; F17-F138 HydrophobicContact CD1-CZ 3.85Å; F17-F138 HydrophobicContact CD2-CD2 4.08Å; F17-F138 AromaticContact CD2-CE2 3.53Å; F17-F138 HydrophobicContact CD2-CE2 3.53Å; F17-F138 AromaticContact CD2-CZ 3.86Å; F17-F138 HydrophobicContact CD2-CZ 3.86Å; F17-F138 HydrophobicContact CE2-CE2 4.23Å; F17-F138 HydrophobicContact CG-CD2 4.22Å; F17-F138 AromaticContact CG-CE1 3.92Å; F17-F138 HydrophobicContact CG-CE1 3.92Å; F17-F138 AromaticContact CG-CE2 3.6Å; F17-F138 HydrophobicContact CG-CE2 3.6Å; F17-F138 AromaticContact CG-CZ 3.42Å; F17-F138 HydrophobicContact CG-CZ 3.42Å; F17-F138 VanDerWaalsContact CG-CZ 3.42Å; F17-F138 CarbonylContact O-C 3.59Å; F17-F138 WeakPolarHBondContact O-CA 3.45Å; P19-F138 HydrophobicContact CG-CD1 4.18Å; F24-F138 HydrophobicContact CZ-CE1 4.49Å; F115-F138 HydrophobicContact CE1-CZ 4.48Å; F115-F138 HydrophobicContact CE2-CE1 4.16Å; F115-F138 AromaticContact CZ-CE1 3.55Å; F115-F138 HydrophobicContact CZ-CE1 3.55Å; F115-F138 AromaticContact CZ-CZ 3.71Å; F115-F138 HydrophobicContact CZ-CZ 3.71Å; M119-F138 HydrophobicContact CE-CZ 4.45Å; M119-F138 HydrophobicContact SD-CZ 3.7Å; I136-F138 HydrophobicContact CG2-CD2 3.66Å; I136-F138 HydrophobicContact CG2-CE2 3.59Å; F138-L152 HydrophobicContact CB-CD2 4.38Å; F138-L152 HydrophobicContact CD1-CD2 4.27Å; F138-L152 HydrophobicContact CG-CD2 4.24Å; F138-M156 HydrophobicContact CE2-SD 4.1Å; F138-F165 HydrophobicContact CB-CE2 4.36Å; F138-F165 AromaticContact CD2-CE2 3.78Å; F138-F165 HydrophobicContact CD2-CE2 3.78Å; F138-F165 HydrophobicContact CD2-CZ 4.49Å; F138-F165 HydrophobicContact CG-CE2 4.45Å; F138-Y166 PolarHBondContact N-O 2.94Å; F138-L167 HydrophobicContact CB-CD2 3.4Å; F138-L167 VanDerWaalsContact CB-CD2 3.4Å; F138-L167 WeakPolarHBondContact O-CA 3.43Å; F138-G168 PolarHBondContact O-N 3.43Å |
| 139 | T | 97.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.5 | 164 | 77.1 | 0 | 0 | 0 | 0 | 109.9 | F17 D18 F137 G168 L173 A430 A434 | F17-T139 PolarHBondContact O-N 3.38Å; D18-T139 WeakPolarHBondContact CA-OG1 3.4Å; D18-T139 HydrophobicContact CB-CG2 3.82Å; D18-T139 PolarHBondContact OD1-OG1 2.7Å; F137-T139 HydrophobicContact CE1-CG2 4.31Å; T139-G168 WeakPolarHBondContact CA-O 3.31Å; T139-L173 HydrophobicContact CG2-CD1 3.74Å; T139-A430 HydrophobicContact CG2-CB 4.49Å; T139-A434 HydrophobicContact CG2-CB 4.35Å |
| 140 | E | 96.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157.6 | 173.9 | 71.3 | -177.6 | 151.1 | 0 | 0 | 112.1 | N144 R149 L167 G168 K169 T170 | E140-N144 WeakPolarHBondContact OE2-CB 3.41Å; E140-N144 PolarHBondContact OE2-ND2 3.29Å; E140-R149 IonicContact OE1-CZ 3.32Å; E140-R149 IonicContact OE1-NH1 3.91Å; E140-R149 PolarHBondContact OE1-NH1 3.16Å; E140-R149 WeakPolarHBondContact OE2-CG 3.43Å; E140-R149 IonicContact OE2-CZ 3.87Å; E140-R149 IonicContact OE2-NH1 2.87Å; E140-R149 PolarHBondContact OE2-NH1 2.86Å; E140-L167 WeakPolarHBondContact OE1-CB 3.36Å; E140-G168 PolarHBondContact N-O 3.02Å; E140-K169 HydrophobicContact CG-CD 3.73Å; E140-K169 WeakPolarHBondContact O-CA 3.34Å; E140-K169 WeakPolarHBondContact OE1-CD 3.39Å; E140-K169 WeakPolarHBondContact OE1-CE 3.39Å; E140-K169 IonicContact OE1-NZ 3.18Å; E140-K169 PolarHBondContact OE1-NZ 3.38Å; E140-K169 IonicContact OE2-NZ 3.24Å; E140-K169 PolarHBondContact OE2-NZ 3.35Å; E140-T170 PolarHBondContact O-N 2.95Å; E140-T170 PolarHBondContact O-OG1 3.32Å |
| 141 | P | 95.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | trans | -71.5 | 157.4 | 167.2 | 30.2 | -34.2 | 0 | 0 | 0 | 112.3 | G107 W143 N144 | G107-P141 WeakPolarHBondContact O-CG 3.43Å; P141-W143 VanDerWaalsContact C-N 3.28Å; P141-W143 HydrophobicContact CB-CD2 3.67Å; P141-W143 HydrophobicContact CB-CE3 4.02Å; P141-W143 HydrophobicContact CB-CG 4.28Å; P141-W143 HydrophobicContact CB-CH2 3.87Å; P141-W143 HydrophobicContact CB-CZ2 3.48Å; P141-W143 VanDerWaalsContact CB-CZ2 3.48Å; P141-W143 HydrophobicContact CB-CZ3 4.11Å; P141-W143 HydrophobicContact CG-CZ2 4.39Å; P141-W143 PolarHBondContact O-N 2.79Å; P141-N144 HydrophobicContact CG-CB 4.27Å; P141-N144 WeakPolarHBondContact O-CB 3.35Å; P141-N144 PolarHBondContact O-N 3.1Å | ||
| 142 | I | 94.2 | Very high | 94.4 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -33.5 | -179.8 | -61.2 | 170.3 | 0 | 0 | 0 | 112.4 | N144 K169 A171 V196 P203 L205 V208 | I142-N144 PolarHBondContact O-N 2.73Å; I142-K169 HydrophobicContact CG1-CB 3.93Å; I142-K169 HydrophobicContact CG1-CD 4.36Å; I142-K169 HydrophobicContact CG1-CG 4.05Å; I142-A171 HydrophobicContact CD1-CB 3.93Å; I142-V196 HydrophobicContact CD1-CB 4.04Å; I142-V196 HydrophobicContact CD1-CG1 3.36Å; I142-V196 HydrophobicContact CD1-CG2 3.53Å; I142-P203 HydrophobicContact CD1-CB 3.9Å; I142-L205 HydrophobicContact CG2-CD2 3.4Å; I142-L205 VanDerWaalsContact CG2-CD2 3.4Å; I142-V208 HydrophobicContact CB-CG2 4.1Å; I142-V208 HydrophobicContact CD1-CG2 3.8Å; I142-V208 HydrophobicContact CG2-CG2 3.66Å |
| 143 | W | 94.5 | Very high | 95.4 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.6 | -178.8 | 56.1 | 85.6 | 0 | 0 | 0 | 113.8 | D106 P141 T145 V208 R210 | D106-W143 PolarHBondContact O-NE1 2.9Å; P141-W143 VanDerWaalsContact C-N 3.28Å; P141-W143 HydrophobicContact CB-CD2 3.67Å; P141-W143 HydrophobicContact CB-CE3 4.02Å; P141-W143 HydrophobicContact CB-CG 4.28Å; P141-W143 HydrophobicContact CB-CH2 3.87Å; P141-W143 HydrophobicContact CB-CZ2 3.48Å; P141-W143 VanDerWaalsContact CB-CZ2 3.48Å; P141-W143 HydrophobicContact CB-CZ3 4.11Å; P141-W143 HydrophobicContact CG-CZ2 4.39Å; P141-W143 PolarHBondContact O-N 2.79Å; W143-T145 PolarHBondContact O-N 2.84Å; W143-V208 HydrophobicContact CE3-CG1 4.01Å; W143-V208 HydrophobicContact CZ3-CG1 4.39Å; W143-R210 VanDerWaalsContact CE3-CD 3.47Å; W143-R210 HydrophobicContact CE3-CG 4.36Å; W143-R210 HydrophobicContact CH2-CG 4.42Å; W143-R210 HydrophobicContact CZ3-CG 4.15Å |
| 144 | N | 95.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | trans | -58.5 | 136.4 | 173.4 | -166.8 | 19.7 | 0 | 0 | 0 | 110.4 | E140 P141 I142 R149 | E140-N144 WeakPolarHBondContact OE2-CB 3.41Å; E140-N144 PolarHBondContact OE2-ND2 3.29Å; P141-N144 HydrophobicContact CG-CB 4.27Å; P141-N144 WeakPolarHBondContact O-CB 3.35Å; P141-N144 PolarHBondContact O-N 3.1Å; I142-N144 PolarHBondContact O-N 2.73Å; N144-R149 WeakPolarHBondContact ND2-CG 3.49Å | ||
| 145 | T | 95.5 | Very high | 96.4 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 30% | 0.301 | 16% | 0.155 | S | C | . | . | trans | -76.2 | 155.8 | -174.5 | 84.5 | 0 | 0 | 0 | 0 | 111.5 | M108 W143 E147 K148 R149 | M108-T145 HydrophobicContact SD-CG2 3.92Å; W143-T145 PolarHBondContact O-N 2.84Å; T145-E147 VanDerWaalsContact C-N 3.26Å; T145-E147 WeakPolarHBondContact CB-OE2 3.18Å; T145-E147 PolarHBondContact O-N 2.93Å; T145-E147 PolarHBondContact OG1-OE2 2.96Å; T145-K148 PolarHBondContact O-N 2.7Å; T145-K148 PolarHBondContact OG1-N 2.94Å; T145-R149 VanDerWaalsContact O-CG 3.29Å; T145-R149 WeakPolarHBondContact O-CG 3.4Å; T145-R149 PolarHBondContact O-N 3.21Å; T145-R149 VanDerWaalsContact O-N 3.13Å | ||
| 146 | K | 95.5 | Very high | 96.5 | Very high | 133 Ų | 133 | 32.8 Ų | 32.8 | 58% | 0.578 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -59.6 | -42 | 179.6 | -69.4 | -173.1 | 177 | -176.1 | 0 | 111.4 | K148 R149 E150 Q462 | K146-K148 PolarHBondContact O-N 3.32Å; K146-R149 WeakPolarHBondContact O-CB 3.49Å; K146-R149 PolarHBondContact O-N 3.4Å; K146-E150 WeakPolarHBondContact O-CG 3.31Å; K146-E150 PolarHBondContact O-N 3.24Å; K146-Q462 PolarHBondContact O-NE2 3.08Å |
| 147 | E | 96.2 | Very high | 96.5 | Very high | 114 Ų | 114 | 33 Ų | 33 | 53% | 0.533 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.2 | -43.6 | -178 | -54.3 | 72 | -154.1 | 0 | 0 | 110.9 | T145 E150 Q151 | T145-E147 VanDerWaalsContact C-N 3.26Å; T145-E147 WeakPolarHBondContact CB-OE2 3.18Å; T145-E147 PolarHBondContact O-N 2.93Å; T145-E147 PolarHBondContact OG1-OE2 2.96Å; E147-E150 PolarHBondContact O-N 3.18Å; E147-Q151 WeakPolarHBondContact O-CB 3.22Å; E147-Q151 VanDerWaalsContact O-CG 3.26Å; E147-Q151 WeakPolarHBondContact O-CG 3.44Å; E147-Q151 PolarHBondContact O-N 2.85Å |
| 148 | K | 97 | Very high | 96.5 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -34.7 | 179.2 | -69.7 | -178.5 | -174.5 | -113.7 | 0 | 112.4 | M108 I109 W112 T145 K146 L152 | M108-K148 HydrophobicContact CB-CD 3.82Å; M108-K148 HydrophobicContact CG-CD 4.36Å; M108-K148 HydrophobicContact SD-CD 4.14Å; I109-K148 PolarHBondContact O-NZ 2.8Å; W112-K148 WeakPolarHBondContact CH2-O 3.31Å; W112-K148 HydrophobicContact CZ2-CB 4.16Å; W112-K148 HydrophobicContact CZ2-CG 4.3Å; T145-K148 PolarHBondContact O-N 2.7Å; T145-K148 PolarHBondContact OG1-N 2.94Å; K146-K148 PolarHBondContact O-N 3.32Å; K148-L152 WeakPolarHBondContact O-CB 3.33Å; K148-L152 PolarHBondContact O-N 3.2Å |
| 149 | R | 97.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 172.8 | -66.2 | 164.6 | 60.1 | 79.8 | 0.1 | 111.4 | E140 N144 T145 K146 L152 A153 L167 I461 T464 | E140-R149 IonicContact OE1-CZ 3.32Å; E140-R149 IonicContact OE1-NH1 3.91Å; E140-R149 PolarHBondContact OE1-NH1 3.16Å; E140-R149 WeakPolarHBondContact OE2-CG 3.43Å; E140-R149 IonicContact OE2-CZ 3.87Å; E140-R149 IonicContact OE2-NH1 2.87Å; E140-R149 PolarHBondContact OE2-NH1 2.86Å; N144-R149 WeakPolarHBondContact ND2-CG 3.49Å; T145-R149 VanDerWaalsContact O-CG 3.29Å; T145-R149 WeakPolarHBondContact O-CG 3.4Å; T145-R149 PolarHBondContact O-N 3.21Å; T145-R149 VanDerWaalsContact O-N 3.13Å; K146-R149 WeakPolarHBondContact O-CB 3.49Å; K146-R149 PolarHBondContact O-N 3.4Å; R149-L152 PolarHBondContact O-N 3.04Å; R149-A153 PolarHBondContact O-N 3.45Å; R149-L167 HydrophobicContact CB-CD1 3.96Å; R149-L167 HydrophobicContact CG-CD1 4.03Å; R149-I461 HydrophobicContact CB-CG2 4.03Å; R149-I461 PolarHBondContact NH2-O 3.31Å; R149-T464 PolarHBondContact NH2-OG1 2.81Å |
| 150 | E | 97.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 178.3 | -74.4 | 170.8 | -157.6 | 0 | 0 | 111.8 | K146 E147 L152 A153 E154 K458 I461 Q462 | K146-E150 WeakPolarHBondContact O-CG 3.31Å; K146-E150 PolarHBondContact O-N 3.24Å; E147-E150 PolarHBondContact O-N 3.18Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.32Å; E150-A153 PolarHBondContact O-N 3.42Å; E150-E154 VanDerWaalsContact O-CB 3.31Å; E150-E154 WeakPolarHBondContact O-CB 3.49Å; E150-E154 PolarHBondContact O-N 3.08Å; E150-K458 HydrophobicContact CB-CB 4.24Å; E150-K458 HydrophobicContact CB-CD 4.1Å; E150-K458 HydrophobicContact CB-CG 4.01Å; E150-K458 HydrophobicContact CG-CB 4.35Å; E150-K458 HydrophobicContact CG-CG 4.09Å; E150-I461 HydrophobicContact CG-CG2 3.95Å; E150-Q462 PolarHBondContact OE1-NE2 3.13Å |
| 151 | Q | 97.2 | Very high | 96.1 | Very high | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.9 | -75.5 | 171.7 | -6.7 | 0 | 0 | 112.2 | W112 E147 L155 | W112-Q151 HydrophobicContact CD2-CB 4.49Å; W112-Q151 HydrophobicContact CH2-CB 3.71Å; W112-Q151 HydrophobicContact CZ2-CB 3.49Å; W112-Q151 VanDerWaalsContact CZ2-CB 3.49Å; W112-Q151 HydrophobicContact CZ2-CG 4.44Å; W112-Q151 VanDerWaalsContact CZ2-OE1 3.3Å; W112-Q151 HydrophobicContact CZ3-CB 4.3Å; E147-Q151 WeakPolarHBondContact O-CB 3.22Å; E147-Q151 VanDerWaalsContact O-CG 3.26Å; E147-Q151 WeakPolarHBondContact O-CG 3.44Å; E147-Q151 PolarHBondContact O-N 2.85Å; Q151-L155 WeakPolarHBondContact O-CB 3.48Å; Q151-L155 PolarHBondContact O-N 3.26Å |
| 152 | L | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | 175.9 | -173.6 | 52.7 | 0 | 0 | 0 | 111.9 | I109 W112 F115 F138 K148 R149 E150 L155 M156 F165 L167 | I109-L152 HydrophobicContact CD1-CD1 4.37Å; I109-L152 HydrophobicContact CD1-CD2 4.34Å; W112-L152 HydrophobicContact CH2-CB 3.87Å; W112-L152 HydrophobicContact CZ3-CB 4.15Å; W112-L152 HydrophobicContact CZ3-CD1 4.19Å; F115-L152 HydrophobicContact CD1-CD1 4.43Å; F115-L152 HydrophobicContact CE1-CD1 3.44Å; F115-L152 VanDerWaalsContact CE1-CD1 3.44Å; F115-L152 HydrophobicContact CZ-CD1 3.84Å; F138-L152 HydrophobicContact CB-CD2 4.38Å; F138-L152 HydrophobicContact CD1-CD2 4.27Å; F138-L152 HydrophobicContact CG-CD2 4.24Å; K148-L152 WeakPolarHBondContact O-CB 3.33Å; K148-L152 PolarHBondContact O-N 3.2Å; R149-L152 PolarHBondContact O-N 3.04Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.32Å; L152-L155 PolarHBondContact O-N 3.21Å; L152-M156 HydrophobicContact CD1-CE 4.19Å; L152-M156 HydrophobicContact CD1-CG 4.36Å; L152-M156 WeakPolarHBondContact O-CG 3.33Å; L152-M156 PolarHBondContact O-N 3.05Å; L152-F165 HydrophobicContact CD2-CZ 4.17Å; L152-F165 HydrophobicContact CG-CZ 3.87Å; L152-L167 HydrophobicContact CD2-CD2 3.72Å |
| 153 | A | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R149 E150 L155 M156 F157 F165 Y453 I461 | R149-A153 PolarHBondContact O-N 3.45Å; E150-A153 PolarHBondContact O-N 3.42Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.45Å; A153-M156 PolarHBondContact O-N 3.17Å; A153-F157 HydrophobicContact CB-CD2 4.5Å; A153-F157 VanDerWaalsContact O-CD2 3.32Å; A153-F157 WeakPolarHBondContact O-CD2 3.43Å; A153-F157 PolarHBondContact O-N 3.35Å; A153-F165 HydrophobicContact CB-CD1 4.18Å; A153-F165 HydrophobicContact CB-CE1 4.03Å; A153-Y453 HydrophobicContact CB-CE2 4.42Å; A153-I461 HydrophobicContact CB-CB 4.2Å; A153-I461 HydrophobicContact CB-CG1 4.2Å |
| 154 | E | 97.3 | Very high | 96.1 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 174.7 | -176.8 | 178 | 149 | 0 | 0 | 111 | E150 M156 E158 Y453 K458 | E150-E154 VanDerWaalsContact O-CB 3.31Å; E150-E154 WeakPolarHBondContact O-CB 3.49Å; E150-E154 PolarHBondContact O-N 3.08Å; E154-M156 PolarHBondContact O-N 2.89Å; E154-E158 HydrophobicContact CG-CG 4.36Å; E154-E158 VanDerWaalsContact O-CB 3.23Å; E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 PolarHBondContact O-N 3.27Å; E154-Y453 WeakPolarHBondContact CA-OH 3.39Å; E154-K458 WeakPolarHBondContact OE2-CD 3.3Å; E154-K458 IonicContact OE2-NZ 2.84Å; E154-K458 PolarHBondContact OE2-NZ 2.84Å |
| 155 | L | 96.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -59.5 | -45.8 | 176.9 | -175.9 | 67.8 | 0 | 0 | 0 | 112.1 | W112 F115 E116 Q151 L152 A153 T159 F160 | W112-L155 HydrophobicContact CE3-CD2 4.31Å; W112-L155 HydrophobicContact CZ3-CD2 4.4Å; F115-L155 HydrophobicContact CD1-CD2 3.61Å; F115-L155 HydrophobicContact CE1-CD2 3.87Å; E116-L155 HydrophobicContact CB-CD1 4.04Å; E116-L155 HydrophobicContact CB-CD2 4.37Å; E116-L155 HydrophobicContact CG-CD1 3.94Å; Q151-L155 WeakPolarHBondContact O-CB 3.48Å; Q151-L155 PolarHBondContact O-N 3.26Å; L152-L155 PolarHBondContact O-N 3.21Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.45Å; L155-T159 HydrophobicContact CD1-CG2 4.16Å; L155-T159 VanDerWaalsContact O-CB 3.22Å; L155-T159 WeakPolarHBondContact O-CB 3.39Å; L155-T159 PolarHBondContact O-N 3.26Å; L155-T159 VanDerWaalsContact O-N 3.15Å; L155-F160 HydrophobicContact CD1-CD2 4.43Å; L155-F160 HydrophobicContact CD1-CE2 4Å; L155-F160 HydrophobicContact CD2-CE2 4.23Å; L155-F160 HydrophobicContact CG-CD2 4.08Å; L155-F160 HydrophobicContact CG-CE2 3.85Å; L155-F160 WeakPolarHBondContact O-CD2 3.43Å; L155-F160 PolarHBondContact O-N 3.02Å |
| 156 | M | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -69 | -45.8 | -177.6 | -67.7 | -59.1 | 104.1 | 0 | 0 | 112.4 | F115 M119 I136 F138 L152 A153 E154 F160 D161 V162 F165 | F115-M156 HydrophobicContact CE1-CE 4.42Å; M119-M156 HydrophobicContact CG-CE 4.05Å; I136-M156 HydrophobicContact CD1-SD 4.31Å; I136-M156 HydrophobicContact CG2-SD 4.4Å; F138-M156 HydrophobicContact CE2-SD 4.1Å; L152-M156 HydrophobicContact CD1-CE 4.19Å; L152-M156 HydrophobicContact CD1-CG 4.36Å; L152-M156 WeakPolarHBondContact O-CG 3.33Å; L152-M156 PolarHBondContact O-N 3.05Å; A153-M156 PolarHBondContact O-N 3.17Å; E154-M156 PolarHBondContact O-N 2.89Å; M156-F160 HydrophobicContact CE-CD2 3.53Å; M156-F160 HydrophobicContact CE-CE2 3.85Å; M156-F160 CarbonylContact O-C 3.52Å; M156-F160 PolarHBondContact O-N 3.39Å; M156-F160 HydrophobicContact SD-CD2 4.37Å; M156-D161 PolarHBondContact O-N 2.96Å; M156-D161 VanDerWaalsContact O-N 3.14Å; M156-V162 HydrophobicContact CB-CG1 4.44Å; M156-V162 HydrophobicContact CB-CG2 3.87Å; M156-V162 PolarHBondContact O-N 3.02Å; M156-F165 HydrophobicContact CB-CD2 4.07Å; M156-F165 HydrophobicContact CB-CE2 4.32Å; M156-F165 HydrophobicContact CB-CG 4.37Å; M156-F165 HydrophobicContact CG-CD2 3.84Å; M156-F165 HydrophobicContact CG-CE2 3.63Å; M156-F165 HydrophobicContact CG-CZ 4.17Å |
| 157 | F | 96.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -78.7 | -41.8 | -177.5 | -74.8 | -64.3 | 0 | 0 | 0 | 113.4 | A153 D161 V162 F165 I448 K450 Y453 | A153-F157 HydrophobicContact CB-CD2 4.5Å; A153-F157 VanDerWaalsContact O-CD2 3.32Å; A153-F157 WeakPolarHBondContact O-CD2 3.43Å; A153-F157 PolarHBondContact O-N 3.35Å; F157-D161 WeakPolarHBondContact O-CA 3.47Å; F157-D161 PolarHBondContact O-N 3.22Å; F157-V162 HydrophobicContact CD1-CG2 3.88Å; F157-V162 VanDerWaalsContact CD1-O 3.31Å; F157-V162 WeakPolarHBondContact CD1-O 3.29Å; F157-V162 HydrophobicContact CE1-CG2 4.02Å; F157-V162 HydrophobicContact CG-CG2 4.44Å; F157-F165 HydrophobicContact CD2-CB 4.49Å; F157-F165 HydrophobicContact CE1-CB 4.16Å; F157-F165 HydrophobicContact CE2-CB 3.64Å; F157-F165 HydrophobicContact CE2-CD1 4.22Å; F157-F165 HydrophobicContact CE2-CG 4.33Å; F157-F165 HydrophobicContact CZ-CB 3.45Å; F157-F165 VanDerWaalsContact CZ-CB 3.45Å; F157-I448 HydrophobicContact CE2-CG2 4.24Å; F157-I448 HydrophobicContact CZ-CB 4.5Å; F157-I448 HydrophobicContact CZ-CG2 4.03Å; F157-I448 WeakPolarHBondContact CZ-O 3.37Å; F157-K450 HydrophobicContact CD1-CB 4.05Å; F157-K450 HydrophobicContact CD1-CG 4.04Å; F157-K450 HydrophobicContact CE1-CB 4.02Å; F157-Y453 HydrophobicContact CB-CD1 3.7Å; F157-Y453 HydrophobicContact CB-CD2 4.39Å; F157-Y453 HydrophobicContact CB-CE1 3.77Å; F157-Y453 HydrophobicContact CB-CE2 4.4Å; F157-Y453 HydrophobicContact CB-CG 4.05Å; F157-Y453 HydrophobicContact CD1-CG 4.41Å; F157-Y453 HydrophobicContact CD2-CD1 4Å; F157-Y453 AromaticContact CD2-CD2 3.29Å; F157-Y453 HydrophobicContact CD2-CD2 3.29Å; F157-Y453 HydrophobicContact CD2-CE1 4.46Å; F157-Y453 AromaticContact CD2-CE2 3.78Å; F157-Y453 HydrophobicContact CD2-CE2 3.78Å; F157-Y453 AromaticContact CD2-CG 3.41Å; F157-Y453 HydrophobicContact CD2-CG 3.41Å; F157-Y453 VanDerWaalsContact CD2-CG 3.41Å; F157-Y453 AromaticContact CE2-CD2 3.72Å; F157-Y453 HydrophobicContact CE2-CD2 3.72Å; F157-Y453 AromaticContact CE2-CG 3.86Å; F157-Y453 HydrophobicContact CE2-CG 3.86Å; F157-Y453 AromaticContact CG-CD1 3.88Å; F157-Y453 HydrophobicContact CG-CD1 3.88Å; F157-Y453 HydrophobicContact CG-CD2 4.04Å; F157-Y453 HydrophobicContact CG-CE1 4.36Å; F157-Y453 HydrophobicContact CG-CE2 4.45Å; F157-Y453 AromaticContact CG-CG 3.72Å; F157-Y453 HydrophobicContact CG-CG 3.72Å |
| 158 | E | 96.5 | Very high | 96.2 | Very high | 121 Ų | 121 | 27.8 Ų | 27.8 | 57% | 0.565 | 14% | 0.139 | S | C | * | . | I | π-helix | trans | -90.3 | -37.9 | -172.4 | -57.6 | -175.7 | -164.3 | 0 | 0 | 112.5 | E154 Y453 | E154-E158 HydrophobicContact CG-CG 4.36Å; E154-E158 VanDerWaalsContact O-CB 3.23Å; E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 PolarHBondContact O-N 3.27Å; E158-Y453 HydrophobicContact CG-CE1 4Å; E158-Y453 PolarHBondContact OE1-OH 3.19Å |
| 159 | T | 94.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 36% | 0.362 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -91.4 | -37.8 | -177.7 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | L155 | L155-T159 HydrophobicContact CD1-CG2 4.16Å; L155-T159 VanDerWaalsContact O-CB 3.22Å; L155-T159 WeakPolarHBondContact O-CB 3.39Å; L155-T159 PolarHBondContact O-N 3.26Å; L155-T159 VanDerWaalsContact O-N 3.15Å |
| 160 | F | 94.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 5% | 0.053 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -106.4 | -0.5 | -177.3 | -66.7 | -70 | 0 | 0 | 0 | 114.4 | E116 M119 R120 F123 L155 M156 V162 | E116-F160 HydrophobicContact CG-CE2 4.17Å; E116-F160 HydrophobicContact CG-CZ 3.92Å; M119-F160 HydrophobicContact CB-CE1 4.23Å; M119-F160 HydrophobicContact CB-CE2 3.67Å; M119-F160 HydrophobicContact CB-CZ 3.45Å; M119-F160 VanDerWaalsContact CB-CZ 3.45Å; M119-F160 HydrophobicContact CG-CE2 4.24Å; M119-F160 HydrophobicContact CG-CZ 4.48Å; R120-F160 HydrophobicContact CG-CE1 3.68Å; R120-F160 HydrophobicContact CG-CZ 3.89Å; F123-F160 AromaticContact CD2-CD1 3.73Å; F123-F160 HydrophobicContact CD2-CD1 3.73Å; F123-F160 AromaticContact CD2-CE1 3.79Å; F123-F160 HydrophobicContact CD2-CE1 3.79Å; F123-F160 HydrophobicContact CD2-CG 4.47Å; F123-F160 HydrophobicContact CE2-CB 4.23Å; F123-F160 AromaticContact CE2-CD1 3.41Å; F123-F160 HydrophobicContact CE2-CD1 3.41Å; F123-F160 VanDerWaalsContact CE2-CD1 3.41Å; F123-F160 HydrophobicContact CE2-CD2 4.24Å; F123-F160 AromaticContact CE2-CE1 3.7Å; F123-F160 HydrophobicContact CE2-CE1 3.7Å; F123-F160 HydrophobicContact CE2-CE2 4.48Å; F123-F160 AromaticContact CE2-CG 3.71Å; F123-F160 HydrophobicContact CE2-CG 3.71Å; F123-F160 HydrophobicContact CE2-CZ 4.24Å; L155-F160 HydrophobicContact CD1-CD2 4.43Å; L155-F160 HydrophobicContact CD1-CE2 4Å; L155-F160 HydrophobicContact CD2-CE2 4.23Å; L155-F160 HydrophobicContact CG-CD2 4.08Å; L155-F160 HydrophobicContact CG-CE2 3.85Å; L155-F160 WeakPolarHBondContact O-CD2 3.43Å; L155-F160 PolarHBondContact O-N 3.02Å; M156-F160 HydrophobicContact CE-CD2 3.53Å; M156-F160 HydrophobicContact CE-CE2 3.85Å; M156-F160 CarbonylContact O-C 3.52Å; M156-F160 PolarHBondContact O-N 3.39Å; M156-F160 HydrophobicContact SD-CD2 4.37Å; F160-V162 VanDerWaalsContact C-N 3.28Å; F160-V162 HydrophobicContact CB-CG1 4.21Å; F160-V162 PolarHBondContact O-N 3.17Å |
| 161 | D | 94.7 | Very high | 96.1 | Very high | 92 Ų | 92 | 26.3 Ų | 26.3 | 49% | 0.492 | 14% | 0.137 | S | C | . | . | trans | 50.8 | 41.8 | 173.7 | -162.5 | 23.8 | 0 | 0 | 0 | 114.6 | M156 F157 K450 | M156-D161 PolarHBondContact O-N 2.96Å; M156-D161 VanDerWaalsContact O-N 3.14Å; F157-D161 WeakPolarHBondContact O-CA 3.47Å; F157-D161 PolarHBondContact O-N 3.22Å; D161-K450 WeakPolarHBondContact OD1-CE 3.34Å; D161-K450 IonicContact OD1-NZ 3.67Å; D161-K450 PolarHBondContact OD1-NZ 2.81Å | ||
| 162 | V | 94.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -72.3 | 141.5 | -177.7 | -55 | 0 | 0 | 0 | 0 | 111.2 | I136 M156 F157 F160 A164 F165 | I136-V162 HydrophobicContact CD1-CG1 3.48Å; I136-V162 VanDerWaalsContact CD1-CG1 3.48Å; I136-V162 HydrophobicContact CG1-CB 4.37Å; I136-V162 HydrophobicContact CG1-CG1 3.82Å; M156-V162 HydrophobicContact CB-CG1 4.44Å; M156-V162 HydrophobicContact CB-CG2 3.87Å; M156-V162 PolarHBondContact O-N 3.02Å; F157-V162 HydrophobicContact CD1-CG2 3.88Å; F157-V162 VanDerWaalsContact CD1-O 3.31Å; F157-V162 WeakPolarHBondContact CD1-O 3.29Å; F157-V162 HydrophobicContact CE1-CG2 4.02Å; F157-V162 HydrophobicContact CG-CG2 4.44Å; F160-V162 VanDerWaalsContact C-N 3.28Å; F160-V162 HydrophobicContact CB-CG1 4.21Å; F160-V162 PolarHBondContact O-N 3.17Å; V162-A164 VanDerWaalsContact C-N 3.34Å; V162-A164 PolarHBondContact O-N 3.05Å; V162-F165 HydrophobicContact CG2-CB 4.19Å | ||
| 163 | P | 94.5 | Very high | 96.1 | Very high | 36 Ų | 36 | 22.3 Ų | 22.3 | 23% | 0.234 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -71 | -30.5 | -178.5 | 27 | -35.5 | 0 | 0 | 0 | 113.2 | Y7 K134 K450 | Y7-P163 HydrophobicContact CE2-CB 4.48Å; K134-P163 WeakPolarHBondContact O-CD 3.38Å; P163-K450 PolarHBondContact O-N 3.25Å |
| 164 | A | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | P135 I136 V162 W447 I448 | P135-A164 VanDerWaalsContact CA-O 3.24Å; P135-A164 WeakPolarHBondContact CA-O 3.36Å; P135-A164 HydrophobicContact CB-CB 3.83Å; I136-A164 PolarHBondContact N-O 3.15Å; V162-A164 VanDerWaalsContact C-N 3.34Å; V162-A164 PolarHBondContact O-N 3.05Å; A164-W447 HydrophobicContact CB-CB 4.04Å; A164-W447 HydrophobicContact CB-CE3 4.46Å; A164-W447 HydrophobicContact CB-CG 4.41Å; A164-I448 CarbonylContact C-O 3.52Å; A164-I448 WeakPolarHBondContact CA-O 3.38Å |
| 165 | F | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149 | -174.5 | -179.3 | -116.3 | 0 | 0 | 0 | 111.5 | I136 F138 L152 A153 M156 F157 V162 L167 I448 I461 | I136-F165 HydrophobicContact CB-CD2 4.3Å; I136-F165 HydrophobicContact CG2-CD2 4.32Å; I136-F165 HydrophobicContact CG2-CE2 4.44Å; I136-F165 WeakPolarHBondContact O-CA 3.13Å; I136-F165 VanDerWaalsContact O-CD2 3.29Å; I136-F165 WeakPolarHBondContact O-CD2 3.43Å; F138-F165 HydrophobicContact CB-CE2 4.36Å; F138-F165 AromaticContact CD2-CE2 3.78Å; F138-F165 HydrophobicContact CD2-CE2 3.78Å; F138-F165 HydrophobicContact CD2-CZ 4.49Å; F138-F165 HydrophobicContact CG-CE2 4.45Å; L152-F165 HydrophobicContact CD2-CZ 4.17Å; L152-F165 HydrophobicContact CG-CZ 3.87Å; A153-F165 HydrophobicContact CB-CD1 4.18Å; A153-F165 HydrophobicContact CB-CE1 4.03Å; M156-F165 HydrophobicContact CB-CD2 4.07Å; M156-F165 HydrophobicContact CB-CE2 4.32Å; M156-F165 HydrophobicContact CB-CG 4.37Å; M156-F165 HydrophobicContact CG-CD2 3.84Å; M156-F165 HydrophobicContact CG-CE2 3.63Å; M156-F165 HydrophobicContact CG-CZ 4.17Å; F157-F165 HydrophobicContact CD2-CB 4.49Å; F157-F165 HydrophobicContact CE1-CB 4.16Å; F157-F165 HydrophobicContact CE2-CB 3.64Å; F157-F165 HydrophobicContact CE2-CD1 4.22Å; F157-F165 HydrophobicContact CE2-CG 4.33Å; F157-F165 HydrophobicContact CZ-CB 3.45Å; F157-F165 VanDerWaalsContact CZ-CB 3.45Å; V162-F165 HydrophobicContact CG2-CB 4.19Å; F165-L167 HydrophobicContact CE1-CD1 4.18Å; F165-L167 HydrophobicContact CE1-CD2 4.18Å; F165-L167 HydrophobicContact CE1-CG 3.7Å; F165-L167 HydrophobicContact CE2-CD2 4.47Å; F165-L167 HydrophobicContact CZ-CD1 4.35Å; F165-L167 HydrophobicContact CZ-CD2 3.61Å; F165-L167 HydrophobicContact CZ-CG 3.67Å; F165-I448 PolarHBondContact N-O 2.81Å; F165-I448 WeakPolarHBondContact O-CB 3.32Å; F165-I448 PolarHBondContact O-N 2.66Å; F165-I448 VanDerWaalsContact O-N 3.08Å; F165-I461 HydrophobicContact CD1-CD1 3.82Å; F165-I461 HydrophobicContact CE1-CD1 3.75Å; F165-I461 HydrophobicContact CE1-CG1 4.39Å |
| 166 | Y | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.9 | 172.7 | -163.3 | -89 | 0 | 0 | 0 | 112.4 | I136 F137 F138 F443 L446 T464 P465 | I136-Y166 PolarHBondContact O-N 2.75Å; F137-Y166 AromaticContact CD2-CD1 3.84Å; F137-Y166 HydrophobicContact CD2-CD1 3.84Å; F137-Y166 HydrophobicContact CD2-CG 4.25Å; F137-Y166 AromaticContact CE2-CD1 3.35Å; F137-Y166 HydrophobicContact CE2-CD1 3.35Å; F137-Y166 AromaticContact CE2-CE1 4Å; F137-Y166 HydrophobicContact CE2-CE1 4Å; F137-Y166 HydrophobicContact CE2-CG 4.16Å; F137-Y166 AromaticContact CZ-CD1 3.96Å; F137-Y166 HydrophobicContact CZ-CD1 3.96Å; F137-Y166 HydrophobicContact CZ-CE1 4.4Å; F138-Y166 PolarHBondContact N-O 2.94Å; Y166-F443 HydrophobicContact CD1-CE2 4.42Å; Y166-F443 AromaticContact CD1-CZ 3.76Å; Y166-F443 HydrophobicContact CD1-CZ 3.76Å; Y166-F443 HydrophobicContact CD2-CZ 4.02Å; Y166-F443 HydrophobicContact CE1-CE2 4.2Å; Y166-F443 AromaticContact CE1-CZ 3.98Å; Y166-F443 HydrophobicContact CE1-CZ 3.98Å; Y166-F443 HydrophobicContact CE2-CZ 4.22Å; Y166-F443 AromaticContact CG-CZ 3.77Å; Y166-F443 HydrophobicContact CG-CZ 3.77Å; Y166-L446 VanDerWaalsContact CD2-O 3.24Å; Y166-L446 WeakPolarHBondContact CD2-O 3.33Å; Y166-L446 HydrophobicContact CE2-CB 3.97Å; Y166-L446 VanDerWaalsContact CE2-O 3.3Å; Y166-L446 WeakPolarHBondContact CE2-O 3.04Å; Y166-T464 HydrophobicContact CD2-CG2 3.97Å; Y166-T464 HydrophobicContact CE2-CG2 3.67Å; Y166-P465 WeakPolarHBondContact OH-CD 3.42Å |
| 167 | L | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.1 | 170.4 | -73.1 | -179.5 | 0 | 0 | 0 | 110.7 | F138 E140 R149 L152 F165 I461 T464 | F138-L167 HydrophobicContact CB-CD2 3.4Å; F138-L167 VanDerWaalsContact CB-CD2 3.4Å; F138-L167 WeakPolarHBondContact O-CA 3.43Å; E140-L167 WeakPolarHBondContact OE1-CB 3.36Å; R149-L167 HydrophobicContact CB-CD1 3.96Å; R149-L167 HydrophobicContact CG-CD1 4.03Å; L152-L167 HydrophobicContact CD2-CD2 3.72Å; F165-L167 HydrophobicContact CE1-CD1 4.18Å; F165-L167 HydrophobicContact CE1-CD2 4.18Å; F165-L167 HydrophobicContact CE1-CG 3.7Å; F165-L167 HydrophobicContact CE2-CD2 4.47Å; F165-L167 HydrophobicContact CZ-CD1 4.35Å; F165-L167 HydrophobicContact CZ-CD2 3.61Å; F165-L167 HydrophobicContact CZ-CG 3.67Å; L167-I461 HydrophobicContact CB-CD1 4.33Å; L167-I461 HydrophobicContact CD1-CD1 4.09Å; L167-I461 HydrophobicContact CD1-CG1 3.74Å; L167-I461 HydrophobicContact CG-CD1 4.08Å; L167-I461 HydrophobicContact CG-CG1 4.3Å; L167-T464 PolarHBondContact O-OG1 3.07Å; L167-T464 VanDerWaalsContact O-OG1 3.11Å |
| 168 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F138 T139 E140 T170 F466 | F138-G168 PolarHBondContact O-N 3.43Å; T139-G168 WeakPolarHBondContact CA-O 3.31Å; E140-G168 PolarHBondContact N-O 3.02Å; G168-T170 PolarHBondContact O-N 2.66Å; G168-F466 CarbonylContact C-O 3.57Å; G168-F466 WeakPolarHBondContact CA-O 3.33Å |
| 169 | K | 96.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 9% | 0.087 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.5 | 177.9 | -51.4 | -47.8 | -176.3 | 173 | 0 | 111.5 | E140 I142 A171 S172 L173 P203 F466 | E140-K169 HydrophobicContact CG-CD 3.73Å; E140-K169 WeakPolarHBondContact O-CA 3.34Å; E140-K169 WeakPolarHBondContact OE1-CD 3.39Å; E140-K169 WeakPolarHBondContact OE1-CE 3.39Å; E140-K169 IonicContact OE1-NZ 3.18Å; E140-K169 PolarHBondContact OE1-NZ 3.38Å; E140-K169 IonicContact OE2-NZ 3.24Å; E140-K169 PolarHBondContact OE2-NZ 3.35Å; I142-K169 HydrophobicContact CG1-CB 3.93Å; I142-K169 HydrophobicContact CG1-CD 4.36Å; I142-K169 HydrophobicContact CG1-CG 4.05Å; K169-A171 VanDerWaalsContact C-N 3.26Å; K169-A171 PolarHBondContact O-N 2.87Å; K169-A171 VanDerWaalsContact O-N 3.13Å; K169-S172 WeakPolarHBondContact O-CB 3.32Å; K169-S172 PolarHBondContact O-N 2.72Å; K169-S172 VanDerWaalsContact O-N 3.16Å; K169-L173 WeakPolarHBondContact O-CG 3.22Å; K169-L173 PolarHBondContact O-N 3.06Å; K169-P203 HydrophobicContact CB-CG 4.23Å; K169-P203 HydrophobicContact CG-CG 4.05Å; K169-F466 WeakPolarHBondContact CA-OXT 3.37Å; K169-F466 WeakPolarHBondContact CB-OXT 3.11Å; K169-F466 WeakPolarHBondContact CG-O 3.48Å; K169-F466 WeakPolarHBondContact CG-OXT 3.39Å; K169-F466 PolarHBondContact N-O 2.64Å; K169-F466 PolarHBondContact N-OXT 3.36Å |
| 170 | T | 96.5 | Very high | 95.8 | Very high | 30 Ų | 30 | 22.7 Ų | 22.7 | 18% | 0.184 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -48.8 | -43.1 | 178 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | E140 G168 S172 L173 V174 A430 | E140-T170 PolarHBondContact O-N 2.95Å; E140-T170 PolarHBondContact O-OG1 3.32Å; G168-T170 PolarHBondContact O-N 2.66Å; T170-S172 PolarHBondContact O-N 2.8Å; T170-L173 PolarHBondContact O-N 3.16Å; T170-V174 HydrophobicContact CG2-CG2 4.19Å; T170-V174 WeakPolarHBondContact O-CB 3.4Å; T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 2.97Å; T170-A430 HydrophobicContact CG2-CB 3.8Å |
| 171 | A | 96.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 25 Ų | 25 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I142 K169 L173 V174 A175 V196 V198 | I142-A171 HydrophobicContact CD1-CB 3.93Å; K169-A171 VanDerWaalsContact C-N 3.26Å; K169-A171 PolarHBondContact O-N 2.87Å; K169-A171 VanDerWaalsContact O-N 3.13Å; A171-L173 VanDerWaalsContact C-N 3.33Å; A171-L173 PolarHBondContact O-N 2.92Å; A171-V174 PolarHBondContact O-N 3.11Å; A171-A175 PolarHBondContact O-N 3.07Å; A171-V196 HydrophobicContact CB-CB 3.8Å; A171-V196 HydrophobicContact CB-CG1 3.89Å; A171-V196 HydrophobicContact CB-CG2 4Å; A171-V198 HydrophobicContact CB-CG2 4.16Å |
| 172 | S | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 176.2 | -44.3 | 0 | 0 | 0 | 0 | 110.6 | K169 T170 V174 A175 I176 G201 P203 F466 | K169-S172 WeakPolarHBondContact O-CB 3.32Å; K169-S172 PolarHBondContact O-N 2.72Å; K169-S172 VanDerWaalsContact O-N 3.16Å; T170-S172 PolarHBondContact O-N 2.8Å; S172-V174 PolarHBondContact O-N 2.49Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.79Å; S172-I176 VanDerWaalsContact O-CG1 3.31Å; S172-I176 WeakPolarHBondContact O-CG1 3.39Å; S172-I176 PolarHBondContact O-N 3.08Å; S172-G201 VanDerWaalsContact CB-O 3.26Å; S172-G201 WeakPolarHBondContact CB-O 3.48Å; S172-P203 WeakPolarHBondContact OG-CD 3.16Å; S172-P203 VanDerWaalsContact OG-CG 3.27Å; S172-P203 WeakPolarHBondContact OG-CG 3.41Å; S172-F466 VanDerWaalsContact CB-OXT 3.29Å; S172-F466 WeakPolarHBondContact CB-OXT 3.42Å; S172-F466 PolarHBondContact OG-OXT 3.21Å |
| 173 | L | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | -178.4 | -58.9 | 173 | 0 | 0 | 0 | 111.7 | F137 T139 K169 T170 A171 A175 I176 S177 A430 G433 A434 V437 | F137-L173 HydrophobicContact CE1-CD1 3.83Å; F137-L173 HydrophobicContact CZ-CD1 4.04Å; F137-L173 HydrophobicContact CZ-CD2 4.03Å; T139-L173 HydrophobicContact CG2-CD1 3.74Å; K169-L173 WeakPolarHBondContact O-CG 3.22Å; K169-L173 PolarHBondContact O-N 3.06Å; T170-L173 PolarHBondContact O-N 3.16Å; A171-L173 VanDerWaalsContact C-N 3.33Å; A171-L173 PolarHBondContact O-N 2.92Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 2.97Å; L173-I176 PolarHBondContact O-N 3.26Å; L173-S177 PolarHBondContact O-N 3.5Å; L173-A430 WeakPolarHBondContact CB-O 3.47Å; L173-G433 VanDerWaalsContact O-CA 3.27Å; L173-G433 WeakPolarHBondContact O-CA 3.32Å; L173-A434 HydrophobicContact CD1-CB 4.18Å; L173-V437 HydrophobicContact CD2-CG1 4.4Å; L173-V437 HydrophobicContact CD2-CG2 3.83Å |
| 174 | V | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 175.4 | 169 | 0 | 0 | 0 | 0 | 111.9 | T170 A171 S172 I176 S177 H178 V185 V368 T370 A429 A430 | T170-V174 HydrophobicContact CG2-CG2 4.19Å; T170-V174 WeakPolarHBondContact O-CB 3.4Å; T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 2.97Å; A171-V174 PolarHBondContact O-N 3.11Å; S172-V174 PolarHBondContact O-N 2.49Å; V174-I176 VanDerWaalsContact C-N 3.33Å; V174-S177 PolarHBondContact O-N 3.44Å; V174-S177 PolarHBondContact O-OG 3.5Å; V174-H178 PolarHBondContact O-N 2.98Å; V174-H178 PolarHBondContact O-ND1 2.94Å; V174-V185 HydrophobicContact CB-CG1 4.04Å; V174-V185 HydrophobicContact CG1-CG1 3.61Å; V174-V185 HydrophobicContact CG1-CG2 4.43Å; V174-V368 HydrophobicContact CG1-CG1 3.71Å; V174-T370 HydrophobicContact CG1-CG2 3.71Å; V174-T370 HydrophobicContact CG2-CG2 4.07Å; V174-A429 HydrophobicContact CG1-CB 4.32Å; V174-A429 HydrophobicContact CG2-CB 3.98Å; V174-A430 HydrophobicContact CG2-CB 4.17Å |
| 175 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A171 S172 L173 H178 E179 Q180 V185 V198 | A171-A175 PolarHBondContact O-N 3.07Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.79Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 2.97Å; A175-H178 PolarHBondContact O-N 2.96Å; A175-E179 PolarHBondContact O-N 2.86Å; A175-Q180 WeakPolarHBondContact CB-O 3.34Å; A175-Q180 CarbonylContact O-C 3.42Å; A175-Q180 PolarHBondContact O-N 3.01Å; A175-V185 HydrophobicContact CB-CG2 3.98Å; A175-V198 HydrophobicContact CB-CB 4.1Å; A175-V198 HydrophobicContact CB-CG1 3.91Å; A175-V198 HydrophobicContact CB-CG2 4.16Å |
| 176 | I | 95.1 | Very high | 96.2 | Very high | 35 Ų | 35 | 20.4 Ų | 20.4 | 18% | 0.179 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 176.7 | -67.6 | 167.9 | 0 | 0 | 0 | 111.3 | S172 L173 V174 H178 E179 I436 V437 | S172-I176 VanDerWaalsContact O-CG1 3.31Å; S172-I176 WeakPolarHBondContact O-CG1 3.39Å; S172-I176 PolarHBondContact O-N 3.08Å; L173-I176 PolarHBondContact O-N 3.26Å; V174-I176 VanDerWaalsContact C-N 3.33Å; I176-H178 PolarHBondContact O-N 2.91Å; I176-H178 VanDerWaalsContact O-N 3.17Å; I176-E179 PolarHBondContact O-N 3.44Å; I176-I436 HydrophobicContact CG2-CB 4.38Å; I176-I436 HydrophobicContact CG2-CG2 3.95Å; I176-V437 HydrophobicContact CD1-CG1 3.47Å; I176-V437 VanDerWaalsContact CD1-CG1 3.47Å; I176-V437 HydrophobicContact CG2-CG1 3.99Å |
| 177 | S | 95.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 13% | 0.133 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -25.6 | -179.9 | 86.9 | 0 | 0 | 0 | 0 | 113.2 | L173 V174 A429 | L173-S177 PolarHBondContact O-N 3.5Å; V174-S177 PolarHBondContact O-N 3.44Å; V174-S177 PolarHBondContact O-OG 3.5Å; S177-A429 VanDerWaalsContact CB-O 3.29Å; S177-A429 WeakPolarHBondContact CB-O 3.29Å; S177-A429 PolarHBondContact OG-O 2.85Å |
| 178 | H | 95 | Very high | 96.3 | Very high | 18 Ų | 18 | 22.2 Ų | 22.2 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.8 | 177.4 | -70 | 77.6 | 0 | 0 | 0 | 113.2 | V174 A175 I176 Q180 V368 | V174-H178 PolarHBondContact O-N 2.98Å; V174-H178 PolarHBondContact O-ND1 2.94Å; A175-H178 PolarHBondContact O-N 2.96Å; I176-H178 PolarHBondContact O-N 2.91Å; I176-H178 VanDerWaalsContact O-N 3.17Å; H178-Q180 HydrophobicContact CB-CG 4.46Å; H178-Q180 WeakPolarHBondContact O-CG 3.24Å; H178-Q180 PolarHBondContact O-N 3.13Å; H178-V368 HydrophobicContact CB-CG1 4.16Å; H178-V368 HydrophobicContact CB-CG2 4.12Å; H178-V368 WeakPolarHBondContact ND1-CG1 3.42Å |
| 179 | E | 94.8 | Very high | 96.2 | Very high | 166 Ų | 166 | 22.9 Ų | 22.9 | 78% | 0.776 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 29.2 | -176.2 | -51.6 | 175.8 | 168.2 | 0 | 0 | 112.7 | A175 I176 P181 | A175-E179 PolarHBondContact O-N 2.86Å; I176-E179 PolarHBondContact O-N 3.44Å; E179-P181 WeakPolarHBondContact O-CD 3.31Å |
| 180 | Q | 95.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 22.8 Ų | 22.8 | 17% | 0.168 | 13% | 0.127 | C | C | . | . | trans | -123.3 | 73.1 | 179.1 | -57.6 | -51.9 | -54.9 | 0 | 0 | 110.2 | A175 H178 T182 S183 H366 V368 H418 | A175-Q180 WeakPolarHBondContact CB-O 3.34Å; A175-Q180 CarbonylContact O-C 3.42Å; A175-Q180 PolarHBondContact O-N 3.01Å; H178-Q180 HydrophobicContact CB-CG 4.46Å; H178-Q180 WeakPolarHBondContact O-CG 3.24Å; H178-Q180 PolarHBondContact O-N 3.13Å; Q180-T182 PolarHBondContact O-N 3.16Å; Q180-S183 WeakPolarHBondContact O-CB 3.19Å; Q180-S183 PolarHBondContact O-OG 2.95Å; Q180-H366 PolarHBondContact OE1-CE1 3Å; Q180-H366 PolarHBondContact OE1-ND1 2.91Å; Q180-V368 HydrophobicContact CB-CG2 4.12Å; Q180-V368 HydrophobicContact CG-CG2 4.41Å; Q180-H418 PolarHBondContact NE2-CE1 3.33Å | ||
| 181 | P | 94 | Very high | 95.9 | Very high | 61 Ų | 61 | 23.4 Ų | 23.4 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -64 | -24.7 | -176 | 26.9 | -35.7 | 0 | 0 | 0 | 113.2 | E179 V198 D200 G201 | E179-P181 WeakPolarHBondContact O-CD 3.31Å; P181-V198 VanDerWaalsContact O-CG1 3.32Å; P181-V198 WeakPolarHBondContact O-CG1 3.32Å; P181-D200 PolarHBondContact O-N 3.08Å; P181-G201 PolarHBondContact O-N 2.87Å |
| 182 | T | 95.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 23.7 Ų | 23.7 | 16% | 0.16 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -111.3 | 97.8 | 170.9 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | Q180 V198 D200 V362 | Q180-T182 PolarHBondContact O-N 3.16Å; T182-V198 CarbonylContact C-O 3.55Å; T182-V198 VanDerWaalsContact CA-O 3.29Å; T182-V198 WeakPolarHBondContact CA-O 3.45Å; T182-D200 PolarHBondContact OG1-N 3.35Å; T182-D200 PolarHBondContact OG1-OD1 3.3Å; T182-D200 VanDerWaalsContact OG1-OD1 3.13Å; T182-V362 HydrophobicContact CG2-CG1 3.72Å |
| 183 | S | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 162.5 | -172.3 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | Q180 V198 L363 H366 | Q180-S183 WeakPolarHBondContact O-CB 3.19Å; Q180-S183 PolarHBondContact O-OG 2.95Å; S183-V198 PolarHBondContact N-O 2.94Å; S183-V198 PolarHBondContact O-N 2.74Å; S183-L363 WeakPolarHBondContact O-CD2 3.45Å; S183-H366 CarbonylContact C-O 3.56Å; S183-H366 WeakPolarHBondContact CA-O 3.19Å; S183-H366 WeakPolarHBondContact CB-O 3.1Å |
| 184 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.8 | 167.8 | -170.7 | 67.5 | 0 | 0 | 0 | 109.1 | V195 T348 T351 V352 L363 H366 L367 V368 | L184-V195 HydrophobicContact CD1-CG1 3.74Å; L184-V195 HydrophobicContact CD2-CG1 4.32Å; L184-V195 HydrophobicContact CG-CG1 3.9Å; L184-T348 HydrophobicContact CD2-CG2 3.47Å; L184-T348 VanDerWaalsContact CD2-CG2 3.47Å; L184-T351 HydrophobicContact CD1-CG2 3.53Å; L184-V352 HydrophobicContact CD1-CG2 4.36Å; L184-V352 HydrophobicContact CD2-CG2 3.53Å; L184-L363 HydrophobicContact CB-CB 4.36Å; L184-H366 PolarHBondContact N-O 3.02Å; L184-L367 HydrophobicContact CD2-CD1 4.06Å; L184-L367 CarbonylContact O-C 3.54Å; L184-L367 WeakPolarHBondContact O-CA 3.38Å; L184-V368 PolarHBondContact O-N 2.83Å |
| 185 | V | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.2 | 179.6 | 179 | 0 | 0 | 0 | 0 | 109.2 | V174 A175 V195 V196 V198 V368 | V174-V185 HydrophobicContact CB-CG1 4.04Å; V174-V185 HydrophobicContact CG1-CG1 3.61Å; V174-V185 HydrophobicContact CG1-CG2 4.43Å; A175-V185 HydrophobicContact CB-CG2 3.98Å; V185-V195 VanDerWaalsContact O-CA 3.29Å; V185-V195 WeakPolarHBondContact O-CA 3.49Å; V185-V196 PolarHBondContact N-O 3.32Å; V185-V196 PolarHBondContact O-N 3.32Å; V185-V198 HydrophobicContact CG2-CG2 3.82Å; V185-V368 HydrophobicContact CG2-CB 4.35Å |
| 186 | V | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 104.3 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | T193 V195 T348 L367 V368 L369 T370 F383 | V186-T193 HydrophobicContact CG1-CG2 4.16Å; V186-V195 HydrophobicContact CB-CG2 4.39Å; V186-V195 HydrophobicContact CG1-CG2 4.15Å; V186-V195 HydrophobicContact CG2-CB 4.5Å; V186-V195 HydrophobicContact CG2-CG1 3.77Å; V186-V195 HydrophobicContact CG2-CG2 4.03Å; V186-T348 HydrophobicContact CG2-CG2 4.18Å; V186-L367 HydrophobicContact CG2-CD1 4.31Å; V186-L367 HydrophobicContact CG2-CD2 4.11Å; V186-L367 HydrophobicContact CG2-CG 4.23Å; V186-V368 PolarHBondContact N-O 3.02Å; V186-L369 HydrophobicContact CB-CD2 3.81Å; V186-L369 HydrophobicContact CG1-CD2 3.91Å; V186-L369 HydrophobicContact CG2-CD2 4.46Å; V186-T370 PolarHBondContact O-N 3.36Å; V186-F383 HydrophobicContact CG1-CZ 4.15Å; V186-F383 HydrophobicContact CG2-CE1 4.45Å; V186-F383 HydrophobicContact CG2-CZ 4.08Å |
| 187 | D | 96.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 22.7 Ų | 22.7 | 22% | 0.219 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.6 | 175.8 | 175 | 33.5 | 0 | 0 | 0 | 110.1 | T193 S194 T370 G371 | D187-T193 CarbonylContact O-C 3.58Å; D187-T193 WeakPolarHBondContact O-CA 3.34Å; D187-T193 WeakPolarHBondContact O-CG2 3.37Å; D187-S194 PolarHBondContact N-O 2.79Å; D187-S194 PolarHBondContact O-N 2.59Å; D187-T370 WeakPolarHBondContact CA-O 3.43Å; D187-T370 HydrophobicContact CB-CG2 3.58Å; D187-G371 WeakPolarHBondContact OD1-CA 3.25Å |
| 188 | C | 97 | Very high | 96 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 88.1 | 179 | -163.1 | 0 | 0 | 0 | 0 | 109.5 | T193 T370 G371 G372 C373 T374 F379 | C188-T193 HydrophobicContact CB-CG2 4.19Å; C188-T193 PolarHBondContact SG-OG1 3.42Å; C188-T370 PolarHBondContact N-O 2.86Å; C188-G371 CarbonylContact O-C 3.52Å; C188-G371 WeakPolarHBondContact O-CA 3.41Å; C188-G372 PolarHBondContact O-N 2.74Å; C188-C373 HydrophobicContact CB-CB 4.01Å; C188-C373 WeakPolarHBondContact O-CB 3.3Å; C188-C373 PolarHBondContact O-N 3.09Å; C188-C373 WeakPolarHBondContact SG-CB 3.45Å; C188-T374 HydrophobicContact CB-CG2 3.85Å; C188-F379 HydrophobicContact CB-CZ 4.21Å |
| 189 | G | 95.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | trans | -98 | -157.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | G192 G215 C373 | G189-G192 PolarHBondContact N-O 3.44Å; G189-G215 PolarHBondContact O-N 2.96Å; G189-C373 PolarHBondContact O-SG 3.05Å | ||
| 190 | S | 94.1 | Very high | 96 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 12% | 0.119 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -74.9 | -56.3 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | G192 G214 G215 D216 | S190-G192 VanDerWaalsContact C-N 3.31Å; S190-G192 PolarHBondContact O-N 2.97Å; S190-G214 CarbonylContact O-C 3.49Å; S190-G215 CarbonylContact O-C 3.6Å; S190-G215 WeakPolarHBondContact O-CA 3.37Å; S190-G215 PolarHBondContact O-N 3.47Å; S190-D216 VanDerWaalsContact C-OD2 3.22Å; S190-D216 PolarHBondContact O-N 3.02Å; S190-D216 VanDerWaalsContact O-OD2 3.12Å; S190-D216 VanDerWaalsContact OG-CG 3.25Å; S190-D216 PolarHBondContact OG-OD1 2.92Å; S190-D216 PolarHBondContact OG-OD2 3.13Å |
| 191 | S | 91.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 20.1 Ų | 20.1 | 31% | 0.308 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -72.5 | -23.2 | -173.9 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | N21 D216 | N21-S191 PolarHBondContact ND2-OG 3.05Å; S191-D216 WeakPolarHBondContact CA-OD2 3.42Å; S191-D216 PolarHBondContact N-OD2 3.18Å |
| 192 | G | 94.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 21 Ų | 21 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | trans | 171.9 | -171.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G189 S190 T211 L213 | G189-G192 PolarHBondContact N-O 3.44Å; S190-G192 VanDerWaalsContact C-N 3.31Å; S190-G192 PolarHBondContact O-N 2.97Å; G192-T211 CarbonylContact C-O 3.6Å; G192-T211 VanDerWaalsContact CA-O 3.3Å; G192-T211 WeakPolarHBondContact CA-O 3.37Å; G192-L213 CarbonylContact C-O 3.59Å | ||
| 193 | T | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.5 | 173.5 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | V186 D187 C188 R210 T211 L213 I344 | V186-T193 HydrophobicContact CG1-CG2 4.16Å; D187-T193 CarbonylContact O-C 3.58Å; D187-T193 WeakPolarHBondContact O-CA 3.34Å; D187-T193 WeakPolarHBondContact O-CG2 3.37Å; C188-T193 HydrophobicContact CB-CG2 4.19Å; C188-T193 PolarHBondContact SG-OG1 3.42Å; T193-R210 CarbonylContact O-C 3.58Å; T193-R210 VanDerWaalsContact O-CA 3.28Å; T193-R210 WeakPolarHBondContact O-CA 3.43Å; T193-T211 PolarHBondContact N-O 3.03Å; T193-T211 PolarHBondContact O-N 2.75Å; T193-L213 PolarHBondContact N-O 2.99Å; T193-L213 VanDerWaalsContact N-O 3.16Å; T193-L213 PolarHBondContact OG1-O 2.66Å; T193-I344 HydrophobicContact CG2-CB 4.2Å; T193-I344 HydrophobicContact CG2-CG2 3.85Å; T193-I344 WeakPolarHBondContact OG1-CG2 3.2Å |
| 194 | S | 96.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.3 | 173.2 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | D187 N209 | D187-S194 PolarHBondContact N-O 2.79Å; D187-S194 PolarHBondContact O-N 2.59Å; S194-N209 WeakPolarHBondContact CA-O 3.28Å |
| 195 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.7 | 177.6 | -168 | 0 | 0 | 0 | 0 | 109.7 | L184 V185 V186 N209 V347 T348 T351 | L184-V195 HydrophobicContact CD1-CG1 3.74Å; L184-V195 HydrophobicContact CD2-CG1 4.32Å; L184-V195 HydrophobicContact CG-CG1 3.9Å; V185-V195 VanDerWaalsContact O-CA 3.29Å; V185-V195 WeakPolarHBondContact O-CA 3.49Å; V186-V195 HydrophobicContact CB-CG2 4.39Å; V186-V195 HydrophobicContact CG1-CG2 4.15Å; V186-V195 HydrophobicContact CG2-CB 4.5Å; V186-V195 HydrophobicContact CG2-CG1 3.77Å; V186-V195 HydrophobicContact CG2-CG2 4.03Å; V195-N209 PolarHBondContact N-O 3.1Å; V195-N209 PolarHBondContact O-N 3.48Å; V195-V347 HydrophobicContact CB-CG1 4.23Å; V195-V347 HydrophobicContact CG2-CG1 3.73Å; V195-T348 HydrophobicContact CG1-CG2 4.34Å; V195-T351 HydrophobicContact CB-CG2 4.47Å; V195-T351 HydrophobicContact CG1-CG2 3.91Å; V195-T351 PolarHBondContact O-OG1 2.91Å |
| 196 | V | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 133.8 | -174.3 | -174.2 | 0 | 0 | 0 | 0 | 109 | I142 A171 V185 P203 V208 | I142-V196 HydrophobicContact CD1-CB 4.04Å; I142-V196 HydrophobicContact CD1-CG1 3.36Å; I142-V196 HydrophobicContact CD1-CG2 3.53Å; A171-V196 HydrophobicContact CB-CB 3.8Å; A171-V196 HydrophobicContact CB-CG1 3.89Å; A171-V196 HydrophobicContact CB-CG2 4Å; V185-V196 PolarHBondContact N-O 3.32Å; V185-V196 PolarHBondContact O-N 3.32Å; V196-P203 HydrophobicContact CG1-CB 4.14Å; V196-V208 HydrophobicContact CG1-CG2 4.35Å; V196-V208 HydrophobicContact CG2-CG1 4.49Å; V196-V208 HydrophobicContact CG2-CG2 4.3Å |
| 197 | S | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130 | 168.4 | -54.5 | 0 | 0 | 0 | 0 | 109.6 | L204 T207 T351 | S197-L204 WeakPolarHBondContact O-CB 3.27Å; S197-L204 PolarHBondContact O-N 2.89Å; S197-T207 WeakPolarHBondContact CB-OG1 3.39Å; S197-T207 PolarHBondContact N-OG1 2.9Å; S197-T207 VanDerWaalsContact N-OG1 3.09Å; S197-T351 WeakPolarHBondContact OG-CG2 3.45Å |
| 198 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | A171 A175 P181 T182 S183 V185 G201 I202 | A171-V198 HydrophobicContact CB-CG2 4.16Å; A175-V198 HydrophobicContact CB-CB 4.1Å; A175-V198 HydrophobicContact CB-CG1 3.91Å; A175-V198 HydrophobicContact CB-CG2 4.16Å; P181-V198 VanDerWaalsContact O-CG1 3.32Å; P181-V198 WeakPolarHBondContact O-CG1 3.32Å; T182-V198 CarbonylContact C-O 3.55Å; T182-V198 VanDerWaalsContact CA-O 3.29Å; T182-V198 WeakPolarHBondContact CA-O 3.45Å; S183-V198 PolarHBondContact N-O 2.94Å; S183-V198 PolarHBondContact O-N 2.74Å; V185-V198 HydrophobicContact CG2-CG2 3.82Å; V198-G201 VanDerWaalsContact CG1-C 3.47Å; V198-I202 WeakPolarHBondContact CA-O 3.17Å; V198-I202 WeakPolarHBondContact CG1-O 3.12Å |
| 199 | M | 95.7 | Very high | 95.2 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 34% | 0.34 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.2 | 177.5 | -179.6 | -179.2 | 177 | 0 | 0 | 108.8 | G201 I202 L204 L359 | M199-G201 PolarHBondContact O-N 3.34Å; M199-G201 VanDerWaalsContact O-N 3.12Å; M199-I202 PolarHBondContact N-O 3.31Å; M199-I202 PolarHBondContact O-N 3.26Å; M199-L204 HydrophobicContact CB-CD2 4.23Å; M199-L204 HydrophobicContact CB-CG 4.43Å; M199-L359 HydrophobicContact CE-CD2 4.17Å; M199-L359 HydrophobicContact SD-CD1 3.82Å; M199-L359 HydrophobicContact SD-CD2 3.91Å |
| 200 | D | 93.8 | Very high | 95.2 | Very high | 112 Ų | 112 | 36.1 Ų | 36.1 | 60% | 0.599 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.1 | -179.1 | -57.8 | -33.8 | 0 | 0 | 0 | 112.8 | P181 T182 I202 | P181-D200 PolarHBondContact O-N 3.08Å; T182-D200 PolarHBondContact OG1-N 3.35Å; T182-D200 PolarHBondContact OG1-OD1 3.3Å; T182-D200 VanDerWaalsContact OG1-OD1 3.13Å; D200-I202 VanDerWaalsContact C-N 3.29Å; D200-I202 PolarHBondContact O-N 3.36Å |
| 201 | G | 93.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -7.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S172 P181 V198 M199 F466 | S172-G201 VanDerWaalsContact CB-O 3.26Å; S172-G201 WeakPolarHBondContact CB-O 3.48Å; P181-G201 PolarHBondContact O-N 2.87Å; V198-G201 VanDerWaalsContact CG1-C 3.47Å; M199-G201 PolarHBondContact O-N 3.34Å; M199-G201 VanDerWaalsContact O-N 3.12Å; G201-F466 WeakPolarHBondContact O-CD1 3.25Å |
| 202 | I | 94.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 41% | 0.41 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.7 | -178.8 | -58.6 | 175.7 | 0 | 0 | 0 | 110.1 | V198 M199 D200 F466 | V198-I202 WeakPolarHBondContact CA-O 3.17Å; V198-I202 WeakPolarHBondContact CG1-O 3.12Å; M199-I202 PolarHBondContact N-O 3.31Å; M199-I202 PolarHBondContact O-N 3.26Å; D200-I202 VanDerWaalsContact C-N 3.29Å; D200-I202 PolarHBondContact O-N 3.36Å; I202-F466 HydrophobicContact CG1-CD1 4.25Å; I202-F466 HydrophobicContact CG1-CE1 3.68Å; I202-F466 HydrophobicContact CG1-CZ 4.39Å |
| 203 | P | 95.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.045 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.3 | -178.6 | 32 | -29.6 | 0 | 0 | 0 | 110.8 | I142 K169 S172 V196 L205 | I142-P203 HydrophobicContact CD1-CB 3.9Å; K169-P203 HydrophobicContact CB-CG 4.23Å; K169-P203 HydrophobicContact CG-CG 4.05Å; S172-P203 WeakPolarHBondContact OG-CD 3.16Å; S172-P203 VanDerWaalsContact OG-CG 3.27Å; S172-P203 WeakPolarHBondContact OG-CG 3.41Å; V196-P203 HydrophobicContact CG1-CB 4.14Å; P203-L205 HydrophobicContact CG-CD2 4.48Å; P203-L205 PolarHBondContact O-N 3.26Å |
| 204 | L | 95.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | trans | -78.6 | 94.6 | 176.4 | -58.5 | -176.3 | 0 | 0 | 0 | 110.2 | S197 M199 K206 T207 L359 | S197-L204 WeakPolarHBondContact O-CB 3.27Å; S197-L204 PolarHBondContact O-N 2.89Å; M199-L204 HydrophobicContact CB-CD2 4.23Å; M199-L204 HydrophobicContact CB-CG 4.43Å; L204-K206 PolarHBondContact O-N 2.86Å; L204-K206 VanDerWaalsContact O-N 3.08Å; L204-T207 HydrophobicContact CB-CG2 3.66Å; L204-T207 HydrophobicContact CD1-CG2 4.19Å; L204-T207 WeakPolarHBondContact O-CB 3.43Å; L204-T207 PolarHBondContact O-N 2.94Å; L204-T207 PolarHBondContact O-OG1 2.58Å; L204-L359 HydrophobicContact CD1-CD1 3.93Å | ||
| 205 | L | 92.4 | Very high | 95.1 | Very high | 119 Ų | 119 | 35.9 Ų | 35.9 | 62% | 0.623 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -54 | -32.9 | -174.3 | -56 | -177.9 | 0 | 0 | 0 | 114.1 | I142 P203 T207 V208 | I142-L205 HydrophobicContact CG2-CD2 3.4Å; I142-L205 VanDerWaalsContact CG2-CD2 3.4Å; P203-L205 HydrophobicContact CG-CD2 4.48Å; P203-L205 PolarHBondContact O-N 3.26Å; L205-T207 PolarHBondContact O-N 2.87Å; L205-V208 WeakPolarHBondContact O-CG2 3.33Å |
| 206 | K | 93.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 50% | 0.496 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -67 | -17.3 | 177 | 70.1 | -178.7 | 178.4 | -174.6 | 0 | 114.2 | L204 D356 | L204-K206 PolarHBondContact O-N 2.86Å; L204-K206 VanDerWaalsContact O-N 3.08Å; K206-D356 IonicContact NZ-OD1 2.7Å; K206-D356 PolarHBondContact NZ-OD1 3.41Å; K206-D356 IonicContact NZ-OD2 2.93Å; K206-D356 PolarHBondContact NZ-OD2 2.96Å |
| 207 | T | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -98.9 | -6.6 | -171.4 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | S197 L204 L205 N209 T351 R354 | S197-T207 WeakPolarHBondContact CB-OG1 3.39Å; S197-T207 PolarHBondContact N-OG1 2.9Å; S197-T207 VanDerWaalsContact N-OG1 3.09Å; L204-T207 HydrophobicContact CB-CG2 3.66Å; L204-T207 HydrophobicContact CD1-CG2 4.19Å; L204-T207 WeakPolarHBondContact O-CB 3.43Å; L204-T207 PolarHBondContact O-N 2.94Å; L204-T207 PolarHBondContact O-OG1 2.58Å; L205-T207 PolarHBondContact O-N 2.87Å; T207-N209 PolarHBondContact O-N 2.92Å; T207-N209 VanDerWaalsContact O-N 3.17Å; T207-T351 VanDerWaalsContact O-CG2 3.22Å; T207-T351 WeakPolarHBondContact O-CG2 3.32Å; T207-T351 PolarHBondContact O-OG1 2.88Å; T207-R354 HydrophobicContact CG2-CB 4.41Å |
| 208 | V | 95.2 | Very high | 94.5 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | trans | -60.2 | 120.7 | -177.1 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | I142 W143 V196 L205 R210 | I142-V208 HydrophobicContact CB-CG2 4.1Å; I142-V208 HydrophobicContact CD1-CG2 3.8Å; I142-V208 HydrophobicContact CG2-CG2 3.66Å; W143-V208 HydrophobicContact CE3-CG1 4.01Å; W143-V208 HydrophobicContact CZ3-CG1 4.39Å; V196-V208 HydrophobicContact CG1-CG2 4.35Å; V196-V208 HydrophobicContact CG2-CG1 4.49Å; V196-V208 HydrophobicContact CG2-CG2 4.3Å; L205-V208 WeakPolarHBondContact O-CG2 3.33Å; V208-R210 HydrophobicContact CG1-CG 4.5Å | ||
| 209 | N | 96.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.6 | 169.1 | -77.6 | -57.5 | 0 | 0 | 0 | 111.2 | S194 V195 T207 V347 D350 T351 R354 | S194-N209 WeakPolarHBondContact CA-O 3.28Å; V195-N209 PolarHBondContact N-O 3.1Å; V195-N209 PolarHBondContact O-N 3.48Å; T207-N209 PolarHBondContact O-N 2.92Å; T207-N209 VanDerWaalsContact O-N 3.17Å; N209-V347 HydrophobicContact CB-CG1 3.67Å; N209-D350 PolarHBondContact ND2-OD2 3.42Å; N209-D350 PolarHBondContact OD1-OD2 3.21Å; N209-T351 VanDerWaalsContact CB-OG1 3.31Å; N209-T351 WeakPolarHBondContact CB-OG1 3.43Å; N209-T351 WeakPolarHBondContact ND2-CA 3.49Å; N209-T351 PolarHBondContact ND2-N 3.06Å; N209-T351 PolarHBondContact ND2-OG1 3.41Å; N209-R354 PolarHBondContact ND2-NE 3Å; N209-R354 PolarHBondContact OD1-NH1 3.39Å; N209-R354 PolarHBondContact OD1-NH2 3.26Å |
| 210 | R | 95.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 157.5 | -176.9 | -55.8 | -175.6 | -67.3 | 158.1 | 1.4 | 111.4 | D106 W143 T193 V208 | D106-R210 IonicContact OD1-CZ 2.75Å; D106-R210 IonicContact OD1-NH1 2.96Å; D106-R210 PolarHBondContact OD1-NH1 3Å; D106-R210 IonicContact OD2-CZ 3.85Å; D106-R210 IonicContact OD2-NH1 3.92Å; D106-R210 PolarHBondContact OD2-NH1 2.96Å; D106-R210 IonicContact OD2-NH2 3.28Å; D106-R210 PolarHBondContact OD2-NH2 2.98Å; W143-R210 VanDerWaalsContact CE3-CD 3.47Å; W143-R210 HydrophobicContact CE3-CG 4.36Å; W143-R210 HydrophobicContact CH2-CG 4.42Å; W143-R210 HydrophobicContact CZ3-CG 4.15Å; T193-R210 CarbonylContact O-C 3.58Å; T193-R210 VanDerWaalsContact O-CA 3.28Å; T193-R210 WeakPolarHBondContact O-CA 3.43Å; V208-R210 HydrophobicContact CG1-CG 4.5Å |
| 211 | T | 95 | Very high | 94.2 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.6 | 167 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | G192 T193 L213 R342 I344 V347 | G192-T211 CarbonylContact C-O 3.6Å; G192-T211 VanDerWaalsContact CA-O 3.3Å; G192-T211 WeakPolarHBondContact CA-O 3.37Å; T193-T211 PolarHBondContact N-O 3.03Å; T193-T211 PolarHBondContact O-N 2.75Å; T211-L213 HydrophobicContact CG2-CB 3.98Å; T211-L213 HydrophobicContact CG2-CD1 4.43Å; T211-L213 HydrophobicContact CG2-CG 4.41Å; T211-L213 PolarHBondContact O-N 2.79Å; T211-L213 VanDerWaalsContact O-N 3.08Å; T211-L213 WeakPolarHBondContact OG1-CG 3.5Å; T211-L213 PolarHBondContact OG1-N 3.19Å; T211-R342 PolarHBondContact OG1-O 2.88Å; T211-I344 HydrophobicContact CG2-CG2 4.1Å; T211-V347 HydrophobicContact CG2-CG2 3.87Å |
| 212 | P | 93.1 | Very high | 94.3 | Very high | 73 Ų | 73 | 36 Ų | 36 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -71.4 | 3 | 176.1 | 32.3 | -37.3 | 0 | 0 | 0 | 112.7 | G214 V217 L341 | P212-G214 PolarHBondContact O-N 2.93Å; P212-V217 WeakPolarHBondContact O-CG2 3.36Å; P212-L341 HydrophobicContact CG-CD2 3.35Å |
| 213 | L | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -68 | 104.9 | 171.6 | -61.5 | 174.7 | 0 | 0 | 0 | 109.7 | G192 T193 T211 V217 V325 L326 P329 L341 R342 | G192-L213 CarbonylContact C-O 3.59Å; T193-L213 PolarHBondContact N-O 2.99Å; T193-L213 VanDerWaalsContact N-O 3.16Å; T193-L213 PolarHBondContact OG1-O 2.66Å; T211-L213 HydrophobicContact CG2-CB 3.98Å; T211-L213 HydrophobicContact CG2-CD1 4.43Å; T211-L213 HydrophobicContact CG2-CG 4.41Å; T211-L213 PolarHBondContact O-N 2.79Å; T211-L213 VanDerWaalsContact O-N 3.08Å; T211-L213 WeakPolarHBondContact OG1-CG 3.5Å; T211-L213 PolarHBondContact OG1-N 3.19Å; L213-V217 HydrophobicContact CD2-CG1 4.4Å; L213-V325 HydrophobicContact CD2-CG2 4.31Å; L213-L326 HydrophobicContact CB-CD2 3.97Å; L213-P329 HydrophobicContact CD1-CB 4.44Å; L213-P329 HydrophobicContact CD1-CG 3.81Å; L213-L341 HydrophobicContact CD2-CD1 4.43Å; L213-R342 WeakPolarHBondContact CD1-O 3.36Å | ||
| 214 | G | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -157.8 | -162.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S190 P212 D216 V217 L218 | S190-G214 CarbonylContact O-C 3.49Å; P212-G214 PolarHBondContact O-N 2.93Å; G214-D216 VanDerWaalsContact C-N 3.28Å; G214-D216 PolarHBondContact O-N 3.48Å; G214-V217 PolarHBondContact O-N 3.37Å; G214-L218 WeakPolarHBondContact O-CG 3.49Å; G214-L218 PolarHBondContact O-N 2.83Å |
| 215 | G | 95 | Very high | 94 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -32.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G189 S190 L218 T219 K278 C373 | G189-G215 PolarHBondContact O-N 2.96Å; S190-G215 CarbonylContact O-C 3.6Å; S190-G215 WeakPolarHBondContact O-CA 3.37Å; S190-G215 PolarHBondContact O-N 3.47Å; G215-L218 PolarHBondContact O-N 3.01Å; G215-T219 PolarHBondContact O-N 3.46Å; G215-T219 PolarHBondContact O-OG1 3.16Å; G215-K278 PolarHBondContact O-NZ 2.91Å; G215-C373 WeakPolarHBondContact CA-SG 3.38Å; G215-C373 PolarHBondContact N-SG 3.01Å |
| 216 | D | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -70 | -41.2 | -179.1 | -71.4 | -50.4 | 0 | 0 | 0 | 111.7 | S190 S191 G214 L218 T219 E220 K271 | S190-D216 VanDerWaalsContact C-OD2 3.22Å; S190-D216 PolarHBondContact O-N 3.02Å; S190-D216 VanDerWaalsContact O-OD2 3.12Å; S190-D216 VanDerWaalsContact OG-CG 3.25Å; S190-D216 PolarHBondContact OG-OD1 2.92Å; S190-D216 PolarHBondContact OG-OD2 3.13Å; S191-D216 WeakPolarHBondContact CA-OD2 3.42Å; S191-D216 PolarHBondContact N-OD2 3.18Å; G214-D216 VanDerWaalsContact C-N 3.28Å; G214-D216 PolarHBondContact O-N 3.48Å; D216-L218 VanDerWaalsContact C-N 3.29Å; D216-L218 PolarHBondContact O-N 3.19Å; D216-T219 WeakPolarHBondContact O-CB 3.48Å; D216-T219 PolarHBondContact O-N 3Å; D216-E220 PolarHBondContact O-N 3.49Å; D216-K271 WeakPolarHBondContact OD1-CE 3.31Å; D216-K271 IonicContact OD1-NZ 3.3Å; D216-K271 PolarHBondContact OD1-NZ 3.33Å |
| 217 | V | 93 | Very high | 94 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.121 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 173.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | P212 L213 G214 S221 V325 | P212-V217 WeakPolarHBondContact O-CG2 3.36Å; L213-V217 HydrophobicContact CD2-CG1 4.4Å; G214-V217 PolarHBondContact O-N 3.37Å; V217-S221 WeakPolarHBondContact O-CB 3.48Å; V217-S221 PolarHBondContact O-N 3.25Å; V217-S221 VanDerWaalsContact O-N 3.09Å; V217-S221 PolarHBondContact O-OG 3.33Å; V217-V325 HydrophobicContact CG1-CG1 4.31Å; V217-V325 HydrophobicContact CG1-CG2 4.46Å |
| 218 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 175.2 | -61.5 | -179.8 | 0 | 0 | 0 | 111.8 | G214 G215 D216 E220 S221 C222 K278 L282 I322 P323 V325 L326 I376 | G214-L218 WeakPolarHBondContact O-CG 3.49Å; G214-L218 PolarHBondContact O-N 2.83Å; G215-L218 PolarHBondContact O-N 3.01Å; D216-L218 VanDerWaalsContact C-N 3.29Å; D216-L218 PolarHBondContact O-N 3.19Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-N 3.13Å; L218-C222 PolarHBondContact O-N 2.92Å; L218-C222 PolarHBondContact O-SG 3.35Å; L218-K278 HydrophobicContact CB-CD 3.77Å; L218-K278 HydrophobicContact CB-CG 4.49Å; L218-L282 HydrophobicContact CB-CD1 4.23Å; L218-L282 HydrophobicContact CD1-CD1 4.19Å; L218-I322 HydrophobicContact CB-CG2 4.49Å; L218-I322 HydrophobicContact CD2-CG2 3.93Å; L218-P323 HydrophobicContact CD2-CB 4.48Å; L218-V325 HydrophobicContact CD2-CG1 3.52Å; L218-L326 HydrophobicContact CD1-CD1 4.31Å; L218-L326 HydrophobicContact CD2-CD2 4.47Å; L218-L326 HydrophobicContact CD2-CG 4.39Å; L218-I376 HydrophobicContact CD1-CD1 3.72Å |
| 219 | T | 95.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 111 | G215 D216 C222 H223 K271 L274 K278 | G215-T219 PolarHBondContact O-N 3.46Å; G215-T219 PolarHBondContact O-OG1 3.16Å; D216-T219 WeakPolarHBondContact O-CB 3.48Å; D216-T219 PolarHBondContact O-N 3Å; T219-C222 WeakPolarHBondContact O-CB 3.48Å; T219-C222 PolarHBondContact O-N 3.03Å; T219-H223 PolarHBondContact O-N 3.03Å; T219-K271 HydrophobicContact CG2-CG 4.32Å; T219-L274 HydrophobicContact CG2-CB 3.62Å; T219-L274 HydrophobicContact CG2-CD1 3.98Å; T219-L274 HydrophobicContact CG2-CG 4.46Å; T219-K278 PolarHBondContact OG1-NZ 2.75Å |
| 220 | E | 92.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 41 Ų | 41 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 179.2 | -174.3 | 53.3 | -147.4 | 0 | 0 | 112.4 | D216 L218 C222 H223 T224 | D216-E220 PolarHBondContact O-N 3.49Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 2.89Å; E220-C222 VanDerWaalsContact C-N 3.34Å; E220-C222 PolarHBondContact O-N 2.85Å; E220-H223 WeakPolarHBondContact O-CB 3.29Å; E220-H223 PolarHBondContact O-N 3.34Å; E220-H223 IonicContact OE2-ND1 3.73Å; E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 PolarHBondContact O-OG1 3.41Å |
| 221 | S | 92.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.8 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | V217 L218 H223 T224 L225 | V217-S221 WeakPolarHBondContact O-CB 3.48Å; V217-S221 PolarHBondContact O-N 3.25Å; V217-S221 VanDerWaalsContact O-N 3.09Å; V217-S221 PolarHBondContact O-OG 3.33Å; L218-S221 PolarHBondContact O-N 3.13Å; S221-H223 VanDerWaalsContact C-N 3.34Å; S221-T224 PolarHBondContact O-N 3.47Å; S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.26Å |
| 222 | C | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | L218 T219 E220 T224 L225 I226 L274 F277 | L218-C222 PolarHBondContact O-N 2.92Å; L218-C222 PolarHBondContact O-SG 3.35Å; T219-C222 WeakPolarHBondContact O-CB 3.48Å; T219-C222 PolarHBondContact O-N 3.03Å; E220-C222 VanDerWaalsContact C-N 3.34Å; E220-C222 PolarHBondContact O-N 2.85Å; C222-T224 PolarHBondContact O-N 2.87Å; C222-L225 PolarHBondContact O-N 3.47Å; C222-I226 WeakPolarHBondContact O-CD1 3.14Å; C222-I226 VanDerWaalsContact O-CG1 3.3Å; C222-I226 WeakPolarHBondContact O-CG1 3.45Å; C222-I226 PolarHBondContact O-N 3.35Å; C222-L274 HydrophobicContact CB-CD2 4.47Å; C222-F277 HydrophobicContact CB-CD1 3.68Å; C222-F277 HydrophobicContact CB-CE1 3.74Å; C222-F277 VanDerWaalsContact SG-CE1 3.6Å |
| 223 | H | 94.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 178 | -167.4 | -175.4 | 0 | 0 | 0 | 111.9 | T219 E220 S221 L225 I226 K227 L274 | T219-H223 PolarHBondContact O-N 3.03Å; E220-H223 WeakPolarHBondContact O-CB 3.29Å; E220-H223 PolarHBondContact O-N 3.34Å; E220-H223 IonicContact OE2-ND1 3.73Å; S221-H223 VanDerWaalsContact C-N 3.34Å; H223-L225 VanDerWaalsContact C-N 3.33Å; H223-L225 PolarHBondContact O-N 3.49Å; H223-I226 PolarHBondContact O-N 2.86Å; H223-K227 PolarHBondContact CE1-NZ 3.38Å; H223-K227 VanDerWaalsContact CE1-NZ 3.29Å; H223-K227 WeakPolarHBondContact NE2-CE 3.32Å; H223-K227 PolarHBondContact NE2-NZ 3Å; H223-K227 PolarHBondContact O-N 3.29Å; H223-K227 VanDerWaalsContact O-N 3.1Å; H223-L274 HydrophobicContact CB-CD1 3.71Å; H223-L274 HydrophobicContact CB-CD2 3.96Å |
| 224 | T | 92.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 17% | 0.172 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 177 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | E220 S221 C222 K227 K228 D333 | E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 PolarHBondContact O-OG1 3.41Å; S221-T224 PolarHBondContact O-N 3.47Å; C222-T224 PolarHBondContact O-N 2.87Å; T224-K227 PolarHBondContact O-N 3.03Å; T224-K228 HydrophobicContact CG2-CD 4.17Å; T224-K228 WeakPolarHBondContact O-CG 3.17Å; T224-K228 PolarHBondContact O-N 3.36Å; T224-D333 HydrophobicContact CG2-CB 4.32Å; T224-D333 WeakPolarHBondContact CG2-OD2 3.42Å |
| 225 | L | 92 | Very high | 91.6 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.3 | 176.6 | 63.9 | 0 | 0 | 0 | 112.1 | S221 C222 H223 K227 K228 H229 F277 F315 E318 I322 | S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.26Å; C222-L225 PolarHBondContact O-N 3.47Å; H223-L225 VanDerWaalsContact C-N 3.33Å; H223-L225 PolarHBondContact O-N 3.49Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.96Å; L225-K228 WeakPolarHBondContact O-CB 3.42Å; L225-K228 PolarHBondContact O-N 3.2Å; L225-H229 PolarHBondContact O-CD2 3.13Å; L225-H229 PolarHBondContact O-N 2.83Å; L225-H229 VanDerWaalsContact O-N 3.12Å; L225-F277 HydrophobicContact CD2-CZ 4.5Å; L225-F315 HydrophobicContact CD2-CD1 3.83Å; L225-F315 HydrophobicContact CD2-CE1 4.09Å; L225-F315 HydrophobicContact CG-CD1 4.24Å; L225-F315 HydrophobicContact CG-CE1 4.16Å; L225-E318 HydrophobicContact CD1-CB 3.55Å; L225-E318 HydrophobicContact CD1-CG 3.77Å; L225-E318 HydrophobicContact CD2-CB 3.65Å; L225-E318 HydrophobicContact CG-CB 4.27Å; L225-I322 HydrophobicContact CB-CD1 4.13Å; L225-I322 HydrophobicContact CD2-CD1 3.52Å; L225-I322 HydrophobicContact CG-CD1 4.43Å |
| 226 | I | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | -178.2 | -66.1 | 162 | 0 | 0 | 0 | 110.6 | C222 H223 K228 H229 G230 G231 V233 L274 F277 F307 F315 | C222-I226 WeakPolarHBondContact O-CD1 3.14Å; C222-I226 VanDerWaalsContact O-CG1 3.3Å; C222-I226 WeakPolarHBondContact O-CG1 3.45Å; C222-I226 PolarHBondContact O-N 3.35Å; H223-I226 PolarHBondContact O-N 2.86Å; I226-K228 PolarHBondContact O-N 3.45Å; I226-H229 PolarHBondContact O-N 3.21Å; I226-G230 PolarHBondContact O-N 2.82Å; I226-G231 PolarHBondContact O-N 3.01Å; I226-V233 HydrophobicContact CB-CG2 4.29Å; I226-V233 HydrophobicContact CD1-CG2 3.98Å; I226-V233 HydrophobicContact CG2-CG2 3.79Å; I226-L274 HydrophobicContact CD1-CD2 3.67Å; I226-F277 HydrophobicContact CD1-CD1 4.35Å; I226-F277 HydrophobicContact CD1-CD2 4.47Å; I226-F277 HydrophobicContact CD1-CG 4.33Å; I226-F307 HydrophobicContact CD1-CE1 3.81Å; I226-F307 HydrophobicContact CD1-CZ 3.83Å; I226-F307 HydrophobicContact CG1-CE1 4.4Å; I226-F307 HydrophobicContact CG1-CZ 3.94Å; I226-F307 HydrophobicContact CG2-CE1 4.32Å; I226-F307 HydrophobicContact CG2-CZ 3.95Å; I226-F315 HydrophobicContact CG1-CZ 4.31Å |
| 227 | K | 91.9 | Very high | 91.5 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 53% | 0.53 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 173.7 | -75.8 | 173.5 | 169.6 | 163.5 | 0 | 112.4 | H223 T224 L225 H229 G230 | H223-K227 PolarHBondContact CE1-NZ 3.38Å; H223-K227 VanDerWaalsContact CE1-NZ 3.29Å; H223-K227 WeakPolarHBondContact NE2-CE 3.32Å; H223-K227 PolarHBondContact NE2-NZ 3Å; H223-K227 PolarHBondContact O-N 3.29Å; H223-K227 VanDerWaalsContact O-N 3.1Å; T224-K227 PolarHBondContact O-N 3.03Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.96Å; K227-H229 PolarHBondContact O-N 2.6Å; K227-G230 WeakPolarHBondContact O-CA 3.31Å; K227-G230 PolarHBondContact O-N 2.93Å |
| 228 | K | 90 | Very high | 91.6 | Very high | 132 Ų | 132 | 48 Ų | 48 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -31.4 | 176.4 | -76.1 | 171.2 | 177.1 | 170.8 | 0 | 112.7 | T224 L225 I226 G230 D333 | T224-K228 HydrophobicContact CG2-CD 4.17Å; T224-K228 WeakPolarHBondContact O-CG 3.17Å; T224-K228 PolarHBondContact O-N 3.36Å; L225-K228 WeakPolarHBondContact O-CB 3.42Å; L225-K228 PolarHBondContact O-N 3.2Å; I226-K228 PolarHBondContact O-N 3.45Å; K228-G230 PolarHBondContact O-N 3.22Å; K228-D333 IonicContact NZ-OD1 2.86Å; K228-D333 PolarHBondContact NZ-OD1 3.39Å; K228-D333 IonicContact NZ-OD2 2.85Å; K228-D333 PolarHBondContact NZ-OD2 2.92Å |
| 229 | H | 87.9 | Confident | 91.5 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 4.9 | 173.1 | -85 | -86 | 0 | 0 | 0 | 113.6 | L225 I226 K227 G231 F315 E318 | L225-H229 PolarHBondContact O-CD2 3.13Å; L225-H229 PolarHBondContact O-N 2.83Å; L225-H229 VanDerWaalsContact O-N 3.12Å; I226-H229 PolarHBondContact O-N 3.21Å; K227-H229 PolarHBondContact O-N 2.6Å; H229-G231 PolarHBondContact O-N 3.45Å; H229-F315 AromaticContact CD2-CE1 3.97Å; H229-E318 IonicContact CE1-OE1 2.89Å; H229-E318 PolarHBondContact CE1-OE1 3.12Å; H229-E318 VanDerWaalsContact CE1-OE1 3.32Å; H229-E318 IonicContact NE2-OE1 3.81Å; H229-E318 PolarHBondContact NE2-OE1 3.35Å |
| 230 | G | 83.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 74% | 0.742 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 13.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I226 K227 K228 | I226-G230 PolarHBondContact O-N 2.82Å; K227-G230 WeakPolarHBondContact O-CA 3.31Å; K227-G230 PolarHBondContact O-N 2.93Å; K228-G230 PolarHBondContact O-N 3.22Å |
| 231 | G | 80.1 | Confident | 91.2 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | trans | -87.8 | 141.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I226 H229 | I226-G231 PolarHBondContact O-N 3.01Å; H229-G231 PolarHBondContact O-N 3.45Å | ||
| 232 | E | 87 | Confident | 91 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | trans | -100 | 133.3 | 165.5 | -173 | -172.3 | 166.6 | 0 | 0 | 109.6 | V234 | E232-V234 PolarHBondContact O-N 3.32Å; E232-V234 VanDerWaalsContact O-N 3.15Å | ||
| 233 | V | 92.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -81.2 | 96 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | I226 P235 V270 V273 L274 | I226-V233 HydrophobicContact CB-CG2 4.29Å; I226-V233 HydrophobicContact CD1-CG2 3.98Å; I226-V233 HydrophobicContact CG2-CG2 3.79Å; V233-P235 WeakPolarHBondContact O-CD 3.33Å; V233-V270 HydrophobicContact CB-CG1 4.15Å; V233-V270 HydrophobicContact CG1-CG1 3.93Å; V233-V273 HydrophobicContact CG1-CB 3.89Å; V233-V273 HydrophobicContact CG1-CG1 3.72Å; V233-L274 HydrophobicContact CG1-CD2 4.46Å; V233-L274 HydrophobicContact CG1-CG 4.43Å; V233-L274 HydrophobicContact CG2-CD2 3.95Å | ||
| 234 | V | 93 | Very high | 90.3 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | trans | -78.9 | 119.1 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | E232 K238 V239 P308 N309 | E232-V234 PolarHBondContact O-N 3.32Å; E232-V234 VanDerWaalsContact O-N 3.15Å; V234-K238 HydrophobicContact CG1-CB 4.15Å; V234-V239 HydrophobicContact CG1-CG2 4.09Å; V234-P308 WeakPolarHBondContact O-CG 3.39Å; V234-N309 HydrophobicContact CB-CB 4.1Å; V234-N309 HydrophobicContact CG1-CB 4.43Å; V234-N309 HydrophobicContact CG2-CB 4.05Å | ||
| 235 | P | 94.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | trans | -68.2 | 150.5 | 178.3 | 27.8 | -35.1 | 0 | 0 | 0 | 112 | V233 Y237 K238 Q269 V270 | V233-P235 WeakPolarHBondContact O-CD 3.33Å; P235-Y237 VanDerWaalsContact C-N 3.31Å; P235-Y237 HydrophobicContact CB-CD1 3.75Å; P235-Y237 HydrophobicContact CB-CE1 3.54Å; P235-Y237 HydrophobicContact CG-CD1 4.03Å; P235-Y237 HydrophobicContact CG-CE1 3.43Å; P235-Y237 VanDerWaalsContact CG-CE1 3.43Å; P235-Y237 PolarHBondContact O-N 2.69Å; P235-K238 HydrophobicContact CG-CB 4.5Å; P235-K238 HydrophobicContact CG-CD 3.8Å; P235-K238 HydrophobicContact CG-CG 3.96Å; P235-K238 PolarHBondContact O-N 3.42Å; P235-K238 VanDerWaalsContact O-N 3.13Å; P235-Q269 HydrophobicContact CB-CB 3.71Å; P235-V270 HydrophobicContact CB-CG2 4.33Å; P235-V270 HydrophobicContact CG-CG2 4.45Å | ||
| 236 | R | 93.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -59 | -37.2 | -172.9 | -66.9 | -176.4 | 179.8 | 109.2 | -0.2 | 113.5 | K238 V239 L272 V273 D276 P308 | R236-K238 PolarHBondContact O-N 3.42Å; R236-V239 PolarHBondContact O-N 3.26Å; R236-L272 PolarHBondContact NH1-O 3.41Å; R236-V273 HydrophobicContact CG-CG2 4.12Å; R236-D276 IonicContact NH2-OD2 3.32Å; R236-D276 PolarHBondContact NH2-OD2 3.16Å; R236-P308 HydrophobicContact CG-CB 4.19Å; R236-P308 HydrophobicContact CG-CG 3.91Å |
| 237 | Y | 93.1 | Very high | 88.8 | Confident | 12 Ų | 12 | 86.1 Ų | 86.1 | 5% | 0.047 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -66.7 | -19.7 | -178.4 | 77.7 | -88.3 | 0 | 0 | 0 | 113.8 | P94 P235 V239 R255 L258 V261 Y265 Q269 | P94-Y237 HydrophobicContact CB-CD2 3.99Å; P94-Y237 HydrophobicContact CB-CE2 4.46Å; P94-Y237 HydrophobicContact CG-CD2 4.17Å; P235-Y237 VanDerWaalsContact C-N 3.31Å; P235-Y237 HydrophobicContact CB-CD1 3.75Å; P235-Y237 HydrophobicContact CB-CE1 3.54Å; P235-Y237 HydrophobicContact CG-CD1 4.03Å; P235-Y237 HydrophobicContact CG-CE1 3.43Å; P235-Y237 VanDerWaalsContact CG-CE1 3.43Å; P235-Y237 PolarHBondContact O-N 2.69Å; Y237-V239 VanDerWaalsContact C-N 3.28Å; Y237-R255 VanDerWaalsContact O-CD 3.25Å; Y237-R255 WeakPolarHBondContact O-CD 3.35Å; Y237-L258 HydrophobicContact CD2-CD1 4.19Å; Y237-L258 HydrophobicContact CD2-CD2 4.27Å; Y237-L258 HydrophobicContact CE2-CD1 4.27Å; Y237-V261 HydrophobicContact CE2-CG1 4.46Å; Y237-V261 HydrophobicContact CE2-CG2 4.32Å; Y237-V261 WeakPolarHBondContact OH-CG2 3.37Å; Y237-Y265 AromaticContact CD1-CE1 3.97Å; Y237-Y265 HydrophobicContact CD1-CE1 3.97Å; Y237-Y265 HydrophobicContact CD2-CE1 4.48Å; Y237-Y265 HydrophobicContact CE1-CD1 4.42Å; Y237-Y265 AromaticContact CE1-CE1 3.99Å; Y237-Y265 HydrophobicContact CE1-CE1 3.99Å; Y237-Y265 HydrophobicContact CE2-CE1 4.48Å; Y237-Y265 HydrophobicContact CG-CE1 4.24Å; Y237-Q269 HydrophobicContact CD1-CB 3.8Å; Y237-Q269 HydrophobicContact CD1-CG 3.66Å; Y237-Q269 HydrophobicContact CE1-CB 3.81Å; Y237-Q269 HydrophobicContact CE1-CG 3.91Å |
| 238 | K | 94 | Very high | 88.4 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -78 | -12.5 | 174.2 | -69.8 | -175.1 | -174.6 | 177 | 0 | 112.8 | V234 P235 R236 A254 R255 L258 | V234-K238 HydrophobicContact CG1-CB 4.15Å; P235-K238 HydrophobicContact CG-CB 4.5Å; P235-K238 HydrophobicContact CG-CD 3.8Å; P235-K238 HydrophobicContact CG-CG 3.96Å; P235-K238 PolarHBondContact O-N 3.42Å; P235-K238 VanDerWaalsContact O-N 3.13Å; R236-K238 PolarHBondContact O-N 3.42Å; K238-A254 CarbonylContact O-C 3.6Å; K238-A254 WeakPolarHBondContact O-CA 3.32Å; K238-R255 PolarHBondContact O-N 3.17Å; K238-L258 HydrophobicContact CG-CD1 4.22Å |
| 239 | V | 92.9 | Very high | 88 | Confident | 18 Ų | 18 | 86.2 Ų | 86.2 | 11% | 0.109 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.7 | -177 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | V234 R236 Y237 R255 P308 | V234-V239 HydrophobicContact CG1-CG2 4.09Å; R236-V239 PolarHBondContact O-N 3.26Å; Y237-V239 VanDerWaalsContact C-N 3.28Å; V239-R255 PolarHBondContact O-NE 3.27Å; V239-P308 HydrophobicContact CG2-CB 4.16Å |
| 240 | L | 91.8 | Very high | 87.8 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -57 | 174.3 | -177.3 | 62.3 | 0 | 0 | 0 | 110.6 | I253 R255 | L240-I253 HydrophobicContact CB-CG2 4.28Å; L240-I253 WeakPolarHBondContact CB-O 3.44Å; L240-I253 HydrophobicContact CD2-CG2 4.09Å; L240-I253 PolarHBondContact N-O 2.85Å; L240-R255 HydrophobicContact CB-CG 3.7Å; L240-R255 HydrophobicContact CD1-CG 4.04Å; L240-R255 HydrophobicContact CG-CG 4.47Å |
| 241 | R | 90.4 | Very high | 87.8 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 160.5 | 179.6 | 63.3 | 178 | 178.4 | 168.8 | 1.1 | 111.1 | S252 I253 | R241-S252 WeakPolarHBondContact O-CA 3.43Å; R241-I253 HydrophobicContact CG-CB 4.24Å; R241-I253 HydrophobicContact CG-CD1 3.99Å; R241-I253 PolarHBondContact O-N 2.91Å |
| 242 | K | 89.7 | Confident | 88.1 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.2 | 171.9 | -60.6 | -179.2 | 172.4 | -177.1 | 0 | 109.8 | F244 E306 F307 P308 A310 | K242-F244 HydrophobicContact CB-CE2 4.25Å; K242-F244 HydrophobicContact CB-CZ 4.42Å; K242-E306 IonicContact NZ-OE1 2.68Å; K242-E306 PolarHBondContact NZ-OE1 3.09Å; K242-F307 PolarHBondContact NZ-O 3.04Å; K242-P308 WeakPolarHBondContact CE-O 3.49Å; K242-A310 HydrophobicContact CB-CB 4.35Å; K242-A310 HydrophobicContact CD-CB 3.91Å; K242-A310 HydrophobicContact CG-CB 4.01Å |
| 243 | V | 88.5 | Confident | 88.2 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.5 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | F245 P250 R251 I253 | V243-F245 HydrophobicContact CB-CE2 4.04Å; V243-F245 HydrophobicContact CB-CZ 4.27Å; V243-F245 HydrophobicContact CG1-CD2 4.27Å; V243-F245 HydrophobicContact CG1-CE1 4.03Å; V243-F245 HydrophobicContact CG1-CE2 3.61Å; V243-F245 HydrophobicContact CG1-CZ 3.48Å; V243-F245 VanDerWaalsContact CG1-CZ 3.48Å; V243-P250 WeakPolarHBondContact O-CA 3.34Å; V243-R251 PolarHBondContact N-O 2.94Å; V243-R251 PolarHBondContact O-N 2.72Å; V243-I253 HydrophobicContact CG2-CD1 3.39Å; V243-I253 HydrophobicContact CG2-CG1 3.8Å |
| 244 | F | 85.2 | Confident | 88 | Confident | 136 Ų | 136 | 87 Ų | 87 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.6 | 179.1 | -58.8 | -87.5 | 0 | 0 | 0 | 109.2 | K242 P250 | K242-F244 HydrophobicContact CB-CE2 4.25Å; K242-F244 HydrophobicContact CB-CZ 4.42Å; F244-P250 HydrophobicContact CD1-CB 3.75Å; F244-P250 HydrophobicContact CE1-CB 3.87Å |
| 245 | F | 82.2 | Confident | 87.9 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 46% | 0.456 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.3 | -179.8 | -64.2 | -81.3 | 0 | 0 | 0 | 109 | V243 L247 R248 | V243-F245 HydrophobicContact CB-CE2 4.04Å; V243-F245 HydrophobicContact CB-CZ 4.27Å; V243-F245 HydrophobicContact CG1-CD2 4.27Å; V243-F245 HydrophobicContact CG1-CE1 4.03Å; V243-F245 HydrophobicContact CG1-CE2 3.61Å; V243-F245 HydrophobicContact CG1-CZ 3.48Å; V243-F245 VanDerWaalsContact CG1-CZ 3.48Å; F245-L247 PolarHBondContact O-N 3.18Å; F245-R248 HydrophobicContact CB-CB 3.81Å; F245-R248 HydrophobicContact CD2-CB 4.4Å; F245-R248 HydrophobicContact CG-CB 4.32Å |
| 246 | F | 78.8 | Confident | 87.6 | Confident | 206 Ų | 206 | 98.1 Ų | 98.1 | 90% | 0.904 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.6 | -174.4 | -165 | -106 | 0 | 0 | 0 | 113.9 | ||
| 247 | L | 84.8 | Confident | 87.4 | Confident | 161 Ų | 161 | 101 Ų | 101 | 84% | 0.843 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 14.1 | -176.3 | -62.8 | 174.1 | 0 | 0 | 0 | 113.8 | F245 | F245-L247 PolarHBondContact O-N 3.18Š|
| 248 | R | 82.4 | Confident | 87.3 | Confident | 165 Ų | 165 | 103 Ų | 103 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.2 | 178.6 | -64.4 | -178.5 | 176.9 | 174.2 | -1.1 | 109.9 | F245 | F245-R248 HydrophobicContact CB-CB 3.81Å; F245-R248 HydrophobicContact CD2-CB 4.4Å; F245-R248 HydrophobicContact CG-CB 4.32Å |
| 249 | P | 81.5 | Confident | 87.3 | Confident | 90 Ų | 90 | 101.2 Ų | 101.2 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 145.4 | 173.6 | 25.2 | -34 | 0 | 0 | 0 | 109.9 | ||
| 250 | P | 83.7 | Confident | 87.3 | Confident | 37 Ų | 37 | 108 Ų | 108 | 24% | 0.24 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 146 | 177.3 | 26.5 | -34.6 | 0 | 0 | 0 | 110.4 | V243 F244 A310 | V243-P250 WeakPolarHBondContact O-CA 3.34Å; F244-P250 HydrophobicContact CD1-CB 3.75Å; F244-P250 HydrophobicContact CE1-CB 3.87Å; P250-A310 HydrophobicContact CB-CB 4.03Å; P250-A310 HydrophobicContact CG-CB 4.45Å |
| 251 | R | 84.6 | Confident | 87.4 | Confident | 157 Ų | 157 | 104.9 Ų | 104.9 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.2 | 178.4 | -68.7 | -174.7 | 176.3 | 178 | -2.8 | 110.3 | V243 | V243-R251 PolarHBondContact N-O 2.94Å; V243-R251 PolarHBondContact O-N 2.72Å |
| 252 | S | 86.7 | Confident | 87.7 | Confident | 39 Ų | 39 | 98.4 Ų | 98.4 | 27% | 0.273 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.6 | 165.1 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | R241 N309 | R241-S252 WeakPolarHBondContact O-CA 3.43Å; S252-N309 PolarHBondContact N-O 3.32Å; S252-N309 VanDerWaalsContact OG-CA 3.3Å; S252-N309 WeakPolarHBondContact OG-CA 3.3Å; S252-N309 WeakPolarHBondContact OG-CB 3.34Å; S252-N309 PolarHBondContact OG-O 3.13Å |
| 253 | I | 88.5 | Confident | 88 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 32% | 0.318 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.1 | 160.9 | -66.9 | 168 | 0 | 0 | 0 | 107.5 | L240 R241 V243 | L240-I253 HydrophobicContact CB-CG2 4.28Å; L240-I253 WeakPolarHBondContact CB-O 3.44Å; L240-I253 HydrophobicContact CD2-CG2 4.09Å; L240-I253 PolarHBondContact N-O 2.85Å; R241-I253 HydrophobicContact CG-CB 4.24Å; R241-I253 HydrophobicContact CG-CD1 3.99Å; R241-I253 PolarHBondContact O-N 2.91Å; V243-I253 HydrophobicContact CG2-CD1 3.39Å; V243-I253 HydrophobicContact CG2-CG1 3.8Å |
| 254 | A | 89.1 | Confident | 88.4 | Confident | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 147.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K238 | K238-A254 CarbonylContact O-C 3.6Å; K238-A254 WeakPolarHBondContact O-CA 3.32Å |
| 255 | R | 90.1 | Very high | 88.9 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 42% | 0.423 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 135.4 | 168.3 | -66.5 | -166.6 | -171.1 | -174.1 | -5.6 | 109.5 | Y237 K238 V239 L240 L258 | Y237-R255 VanDerWaalsContact O-CD 3.25Å; Y237-R255 WeakPolarHBondContact O-CD 3.35Å; K238-R255 PolarHBondContact O-N 3.17Å; V239-R255 PolarHBondContact O-NE 3.27Å; L240-R255 HydrophobicContact CB-CG 3.7Å; L240-R255 HydrophobicContact CD1-CG 4.04Å; L240-R255 HydrophobicContact CG-CG 4.47Å; R255-L258 HydrophobicContact CB-CD1 4.1Å; R255-L258 HydrophobicContact CB-CD2 4.06Å; R255-L258 HydrophobicContact CB-CG 4.01Å |
| 256 | L | 88.3 | Confident | 89.6 | Confident | 146 Ų | 146 | 90.7 Ų | 90.7 | 76% | 0.764 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -92.9 | 159.5 | 172.8 | -58.2 | 176.4 | 0 | 0 | 0 | 109.7 | L258 | L256-L258 VanDerWaalsContact C-N 3.32Å; L256-L258 PolarHBondContact O-N 3.48Å |
| 257 | N | 89.3 | Confident | 90.4 | Very high | 166 Ų | 166 | 84.8 Ų | 84.8 | 89% | 0.888 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 56.5 | 40.5 | 175.5 | -52.8 | -24.7 | 0 | 0 | 0 | 114 | ||
| 258 | L | 91.4 | Very high | 91 | Very high | 54 Ų | 54 | 78.5 Ų | 78.5 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | trans | -73.2 | 140.6 | 172.3 | -72.9 | 170.5 | 0 | 0 | 0 | 110.3 | P94 Y237 K238 R255 L256 | P94-L258 HydrophobicContact CG-CD2 3.96Å; Y237-L258 HydrophobicContact CD2-CD1 4.19Å; Y237-L258 HydrophobicContact CD2-CD2 4.27Å; Y237-L258 HydrophobicContact CE2-CD1 4.27Å; K238-L258 HydrophobicContact CG-CD1 4.22Å; R255-L258 HydrophobicContact CB-CD1 4.1Å; R255-L258 HydrophobicContact CB-CD2 4.06Å; R255-L258 HydrophobicContact CB-CG 4.01Å; L256-L258 VanDerWaalsContact C-N 3.32Å; L256-L258 PolarHBondContact O-N 3.48Å | ||
| 259 | P | 92.7 | Very high | 91.7 | Very high | 39 Ų | 39 | 71 Ų | 71 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | trans | -62.7 | 154.8 | 170.3 | 24.7 | -30.9 | 0 | 0 | 0 | 111 | P94 E96 V261 | P94-P259 HydrophobicContact CB-CG 4.03Å; P94-P259 HydrophobicContact CG-CG 4.31Å; P94-P259 WeakPolarHBondContact O-CG 3.43Å; E96-P259 HydrophobicContact CG-CB 3.39Å; P259-V261 PolarHBondContact O-N 3.2Å; P259-V261 VanDerWaalsContact O-N 3.08Å | ||
| 260 | Q | 92.8 | Very high | 92.4 | Very high | 160 Ų | 160 | 67.6 Ų | 67.6 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | trans | -72.4 | 102.5 | 172 | -65.1 | -63.1 | -16.4 | 0 | 0 | 109.3 | E96 | E96-Q260 WeakPolarHBondContact CA-O 3.45Š| ||
| 261 | V | 94.8 | Very high | 93 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | trans | -83.2 | 155.3 | -179.8 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | P94 Y237 P259 Y265 | P94-V261 HydrophobicContact CB-CG1 3.6Å; Y237-V261 HydrophobicContact CE2-CG1 4.46Å; Y237-V261 HydrophobicContact CE2-CG2 4.32Å; Y237-V261 WeakPolarHBondContact OH-CG2 3.37Å; P259-V261 PolarHBondContact O-N 3.2Å; P259-V261 VanDerWaalsContact O-N 3.08Å; V261-Y265 HydrophobicContact CB-CD1 3.67Å; V261-Y265 HydrophobicContact CB-CE1 4.4Å; V261-Y265 HydrophobicContact CB-CG 4.29Å; V261-Y265 HydrophobicContact CG1-CD1 3.71Å; V261-Y265 HydrophobicContact CG1-CE1 3.95Å; V261-Y265 HydrophobicContact CG2-CD1 3.99Å | ||
| 262 | T | 96.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | trans | -69 | 160.5 | 173.4 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | V98 E99 S264 Y265 S266 | V98-T262 VanDerWaalsContact O-CG2 3.23Å; V98-T262 WeakPolarHBondContact O-CG2 3.17Å; V98-T262 PolarHBondContact O-OG1 3.14Å; E99-T262 HydrophobicContact CG-CG2 4.09Å; T262-S264 PolarHBondContact OG1-OG 3.09Å; T262-Y265 PolarHBondContact O-N 2.84Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.03Å; T262-Y265 PolarHBondContact OG1-N 3.26Å; T262-S266 PolarHBondContact O-N 2.78Å; T262-S266 VanDerWaalsContact O-N 3.08Å | ||
| 263 | Q | 96.3 | Very high | 94 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 176 | -176 | 59.2 | 33.6 | 0 | 0 | 111.4 | Y265 S266 D267 | Q263-Y265 VanDerWaalsContact C-N 3.32Å; Q263-Y265 PolarHBondContact O-N 3.42Å; Q263-S266 WeakPolarHBondContact O-CB 3.15Å; Q263-S266 PolarHBondContact O-N 2.98Å; Q263-S266 VanDerWaalsContact O-N 3.14Å; Q263-D267 WeakPolarHBondContact CG-OD2 3.44Å; Q263-D267 VanDerWaalsContact NE2-CG 3.28Å; Q263-D267 PolarHBondContact NE2-OD1 3.09Å; Q263-D267 PolarHBondContact NE2-OD2 3.21Å; Q263-D267 VanDerWaalsContact NE2-OD2 3.08Å; Q263-D267 WeakPolarHBondContact O-CB 3.33Å; Q263-D267 VanDerWaalsContact O-CG 3.28Å; Q263-D267 PolarHBondContact O-N 2.64Å |
| 264 | S | 96.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | E99 M100 T262 Y268 | E99-S264 VanDerWaalsContact CA-OG 3.32Å; E99-S264 WeakPolarHBondContact CA-OG 3.43Å; M100-S264 PolarHBondContact N-OG 2.62Å; T262-S264 PolarHBondContact OG1-OG 3.09Å; S264-Y268 VanDerWaalsContact O-CB 3.32Å; S264-Y268 WeakPolarHBondContact O-CB 3.33Å; S264-Y268 PolarHBondContact O-N 3.17Å |
| 265 | Y | 97 | Very high | 94.7 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 172 | -177.3 | -89.1 | 0 | 0 | 0 | 112.4 | L91 C92 I93 P94 M100 Y237 V261 T262 Q263 D267 Y268 Q269 | L91-Y265 WeakPolarHBondContact O-CE2 3.44Å; C92-Y265 PolarHBondContact O-OH 3.11Å; I93-Y265 VanDerWaalsContact C-OH 3.32Å; P94-Y265 WeakPolarHBondContact CA-OH 3.38Å; P94-Y265 HydrophobicContact CB-CE1 3.9Å; M100-Y265 HydrophobicContact CG-CD2 4.08Å; M100-Y265 HydrophobicContact SD-CD2 3.84Å; M100-Y265 HydrophobicContact SD-CE2 4.49Å; Y237-Y265 AromaticContact CD1-CE1 3.97Å; Y237-Y265 HydrophobicContact CD1-CE1 3.97Å; Y237-Y265 HydrophobicContact CD2-CE1 4.48Å; Y237-Y265 HydrophobicContact CE1-CD1 4.42Å; Y237-Y265 AromaticContact CE1-CE1 3.99Å; Y237-Y265 HydrophobicContact CE1-CE1 3.99Å; Y237-Y265 HydrophobicContact CE2-CE1 4.48Å; Y237-Y265 HydrophobicContact CG-CE1 4.24Å; V261-Y265 HydrophobicContact CB-CD1 3.67Å; V261-Y265 HydrophobicContact CB-CE1 4.4Å; V261-Y265 HydrophobicContact CB-CG 4.29Å; V261-Y265 HydrophobicContact CG1-CD1 3.71Å; V261-Y265 HydrophobicContact CG1-CE1 3.95Å; V261-Y265 HydrophobicContact CG2-CD1 3.99Å; T262-Y265 PolarHBondContact O-N 2.84Å; T262-Y265 WeakPolarHBondContact OG1-CB 3.03Å; T262-Y265 PolarHBondContact OG1-N 3.26Å; Q263-Y265 VanDerWaalsContact C-N 3.32Å; Q263-Y265 PolarHBondContact O-N 3.42Å; Y265-D267 VanDerWaalsContact C-N 3.34Å; Y265-D267 PolarHBondContact O-N 3.04Å; Y265-Y268 PolarHBondContact O-N 2.94Å; Y265-Q269 HydrophobicContact CD1-CG 4.11Å; Y265-Q269 HydrophobicContact CE1-CG 3.67Å; Y265-Q269 HydrophobicContact CE2-CG 4.4Å; Y265-Q269 VanDerWaalsContact O-CG 3.28Å; Y265-Q269 WeakPolarHBondContact O-CG 3.49Å; Y265-Q269 PolarHBondContact O-N 2.93Å; Y265-Q269 PolarHBondContact OH-NE2 2.93Å |
| 266 | S | 96.2 | Very high | 95 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | T262 Q263 Q269 V270 | T262-S266 PolarHBondContact O-N 2.78Å; T262-S266 VanDerWaalsContact O-N 3.08Å; Q263-S266 WeakPolarHBondContact O-CB 3.15Å; Q263-S266 PolarHBondContact O-N 2.98Å; Q263-S266 VanDerWaalsContact O-N 3.14Å; S266-Q269 PolarHBondContact O-N 3.08Å; S266-V270 WeakPolarHBondContact O-CG2 3.34Å; S266-V270 PolarHBondContact O-N 3.24Å |
| 267 | D | 96 | Very high | 95.3 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | -179.2 | -69.4 | -23.3 | 0 | 0 | 0 | 112.1 | Q263 Y265 Q269 V270 K271 | Q263-D267 WeakPolarHBondContact CG-OD2 3.44Å; Q263-D267 VanDerWaalsContact NE2-CG 3.28Å; Q263-D267 PolarHBondContact NE2-OD1 3.09Å; Q263-D267 PolarHBondContact NE2-OD2 3.21Å; Q263-D267 VanDerWaalsContact NE2-OD2 3.08Å; Q263-D267 WeakPolarHBondContact O-CB 3.33Å; Q263-D267 VanDerWaalsContact O-CG 3.28Å; Q263-D267 PolarHBondContact O-N 2.64Å; Y265-D267 VanDerWaalsContact C-N 3.34Å; Y265-D267 PolarHBondContact O-N 3.04Å; D267-Q269 PolarHBondContact O-N 3.34Å; D267-V270 PolarHBondContact O-N 3.26Å; D267-K271 WeakPolarHBondContact O-CB 3.38Å; D267-K271 PolarHBondContact O-N 3.48Å |
| 268 | Y | 96.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 172.9 | 175.5 | -110.7 | 0 | 0 | 0 | 112 | V41 M100 S264 Y265 V270 K271 L272 | V41-Y268 HydrophobicContact CB-CD2 4.14Å; V41-Y268 HydrophobicContact CB-CE2 3.77Å; V41-Y268 HydrophobicContact CG1-CD2 3.85Å; V41-Y268 HydrophobicContact CG1-CE2 3.97Å; V41-Y268 HydrophobicContact CG2-CE2 4.23Å; M100-Y268 HydrophobicContact CB-CG 4.41Å; M100-Y268 HydrophobicContact CE-CD1 3.48Å; M100-Y268 VanDerWaalsContact CE-CD1 3.48Å; M100-Y268 HydrophobicContact CE-CD2 4.29Å; M100-Y268 HydrophobicContact CE-CE1 3.56Å; M100-Y268 HydrophobicContact CE-CE2 4.37Å; M100-Y268 HydrophobicContact CE-CG 3.86Å; M100-Y268 HydrophobicContact CG-CD1 4.12Å; M100-Y268 HydrophobicContact CG-CG 4.08Å; M100-Y268 HydrophobicContact SD-CD1 4.16Å; S264-Y268 VanDerWaalsContact O-CB 3.32Å; S264-Y268 WeakPolarHBondContact O-CB 3.33Å; S264-Y268 PolarHBondContact O-N 3.17Å; Y265-Y268 PolarHBondContact O-N 2.94Å; Y268-V270 VanDerWaalsContact C-N 3.31Å; Y268-V270 PolarHBondContact O-N 3.03Å; Y268-K271 WeakPolarHBondContact O-CB 3.29Å; Y268-K271 PolarHBondContact O-N 3.3Å; Y268-L272 HydrophobicContact CD1-CD1 4.3Å; Y268-L272 HydrophobicContact CE1-CD1 3.73Å; Y268-L272 HydrophobicContact CE1-CG 4.31Å; Y268-L272 HydrophobicContact CE2-CD2 4.23Å; Y268-L272 HydrophobicContact CE2-CG 4.34Å; Y268-L272 WeakPolarHBondContact O-CG 3.34Å; Y268-L272 PolarHBondContact O-N 3.36Å |
| 269 | Q | 96.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -33 | 178.9 | -67.9 | -67.9 | -30.7 | 0 | 0 | 112.6 | L91 P235 Y237 Y265 S266 D267 | L91-Q269 PolarHBondContact O-NE2 2.95Å; P235-Q269 HydrophobicContact CB-CB 3.71Å; Y237-Q269 HydrophobicContact CD1-CB 3.8Å; Y237-Q269 HydrophobicContact CD1-CG 3.66Å; Y237-Q269 HydrophobicContact CE1-CB 3.81Å; Y237-Q269 HydrophobicContact CE1-CG 3.91Å; Y265-Q269 HydrophobicContact CD1-CG 4.11Å; Y265-Q269 HydrophobicContact CE1-CG 3.67Å; Y265-Q269 HydrophobicContact CE2-CG 4.4Å; Y265-Q269 VanDerWaalsContact O-CG 3.28Å; Y265-Q269 WeakPolarHBondContact O-CG 3.49Å; Y265-Q269 PolarHBondContact O-N 2.93Å; Y265-Q269 PolarHBondContact OH-NE2 2.93Å; S266-Q269 PolarHBondContact O-N 3.08Å; D267-Q269 PolarHBondContact O-N 3.34Å |
| 270 | V | 96.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 170.5 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | V233 P235 S266 D267 Y268 L272 V273 L274 | V233-V270 HydrophobicContact CB-CG1 4.15Å; V233-V270 HydrophobicContact CG1-CG1 3.93Å; P235-V270 HydrophobicContact CB-CG2 4.33Å; P235-V270 HydrophobicContact CG-CG2 4.45Å; S266-V270 WeakPolarHBondContact O-CG2 3.34Å; S266-V270 PolarHBondContact O-N 3.24Å; D267-V270 PolarHBondContact O-N 3.26Å; Y268-V270 VanDerWaalsContact C-N 3.31Å; Y268-V270 PolarHBondContact O-N 3.03Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 2.85Å; V270-V273 PolarHBondContact O-N 3.04Å; V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.27Å; V270-L274 WeakPolarHBondContact O-CG 3.38Å; V270-L274 PolarHBondContact O-N 3.25Å |
| 271 | K | 95.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 27% | 0.27 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54 | -44.9 | 175.7 | -179.3 | 175.9 | -179.5 | 169.8 | 0 | 111.5 | D216 T219 D267 Y268 V273 L274 E275 | D216-K271 WeakPolarHBondContact OD1-CE 3.31Å; D216-K271 IonicContact OD1-NZ 3.3Å; D216-K271 PolarHBondContact OD1-NZ 3.33Å; T219-K271 HydrophobicContact CG2-CG 4.32Å; D267-K271 WeakPolarHBondContact O-CB 3.38Å; D267-K271 PolarHBondContact O-N 3.48Å; Y268-K271 WeakPolarHBondContact O-CB 3.29Å; Y268-K271 PolarHBondContact O-N 3.3Å; K271-V273 VanDerWaalsContact C-N 3.27Å; K271-V273 PolarHBondContact O-N 3.46Å; K271-L274 PolarHBondContact O-N 2.82Å; K271-L274 VanDerWaalsContact O-N 3.15Å; K271-E275 WeakPolarHBondContact CE-OE1 3.49Å; K271-E275 HydrophobicContact CG-CG 4.33Å; K271-E275 WeakPolarHBondContact O-CB 3.15Å; K271-E275 WeakPolarHBondContact O-CG 3.21Å; K271-E275 PolarHBondContact O-N 2.81Å |
| 272 | L | 95.9 | Very high | 96 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -28.7 | 177.6 | -67.3 | 179.3 | 0 | 0 | 0 | 114.3 | R236 Y268 V270 D276 | R236-L272 PolarHBondContact NH1-O 3.41Å; Y268-L272 HydrophobicContact CD1-CD1 4.3Å; Y268-L272 HydrophobicContact CE1-CD1 3.73Å; Y268-L272 HydrophobicContact CE1-CG 4.31Å; Y268-L272 HydrophobicContact CE2-CD2 4.23Å; Y268-L272 HydrophobicContact CE2-CG 4.34Å; Y268-L272 WeakPolarHBondContact O-CG 3.34Å; Y268-L272 PolarHBondContact O-N 3.36Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 2.85Å; L272-D276 PolarHBondContact O-N 3.27Å |
| 273 | V | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -78.3 | -41.6 | 174.3 | 178 | 0 | 0 | 0 | 0 | 110.3 | V233 R236 V270 K271 E275 D276 F277 F307 P308 | V233-V273 HydrophobicContact CG1-CB 3.89Å; V233-V273 HydrophobicContact CG1-CG1 3.72Å; R236-V273 HydrophobicContact CG-CG2 4.12Å; V270-V273 PolarHBondContact O-N 3.04Å; K271-V273 VanDerWaalsContact C-N 3.27Å; K271-V273 PolarHBondContact O-N 3.46Å; V273-E275 VanDerWaalsContact C-N 3.32Å; V273-E275 PolarHBondContact O-N 3.42Å; V273-D276 PolarHBondContact O-N 2.89Å; V273-F277 PolarHBondContact O-N 2.68Å; V273-F307 HydrophobicContact CG1-CD1 4.38Å; V273-P308 HydrophobicContact CG1-CG 3.94Å; V273-P308 HydrophobicContact CG2-CG 3.82Å |
| 274 | L | 96.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 176.6 | -68.5 | 170.9 | 0 | 0 | 0 | 112.2 | T219 C222 H223 I226 V233 V270 K271 F277 K278 | T219-L274 HydrophobicContact CG2-CB 3.62Å; T219-L274 HydrophobicContact CG2-CD1 3.98Å; T219-L274 HydrophobicContact CG2-CG 4.46Å; C222-L274 HydrophobicContact CB-CD2 4.47Å; H223-L274 HydrophobicContact CB-CD1 3.71Å; H223-L274 HydrophobicContact CB-CD2 3.96Å; I226-L274 HydrophobicContact CD1-CD2 3.67Å; V233-L274 HydrophobicContact CG1-CD2 4.46Å; V233-L274 HydrophobicContact CG1-CG 4.43Å; V233-L274 HydrophobicContact CG2-CD2 3.95Å; V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.27Å; V270-L274 WeakPolarHBondContact O-CG 3.38Å; V270-L274 PolarHBondContact O-N 3.25Å; K271-L274 PolarHBondContact O-N 2.82Å; K271-L274 VanDerWaalsContact O-N 3.15Å; L274-F277 PolarHBondContact O-N 3.45Å; L274-K278 VanDerWaalsContact O-CB 3.23Å; L274-K278 WeakPolarHBondContact O-CB 3.4Å; L274-K278 PolarHBondContact O-N 2.84Å |
| 275 | E | 95.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 173.9 | -75.6 | 179.1 | 166.6 | 0 | 0 | 111.5 | K271 V273 F277 K278 H279 | K271-E275 WeakPolarHBondContact CE-OE1 3.49Å; K271-E275 HydrophobicContact CG-CG 4.33Å; K271-E275 WeakPolarHBondContact O-CB 3.15Å; K271-E275 WeakPolarHBondContact O-CG 3.21Å; K271-E275 PolarHBondContact O-N 2.81Å; V273-E275 VanDerWaalsContact C-N 3.32Å; V273-E275 PolarHBondContact O-N 3.42Å; E275-F277 PolarHBondContact O-N 2.91Å; E275-K278 WeakPolarHBondContact O-CB 3.18Å; E275-K278 PolarHBondContact O-N 3.4Å; E275-K278 VanDerWaalsContact O-N 3.16Å; E275-H279 PolarHBondContact O-N 2.93Å; E275-H279 PolarHBondContact O-ND1 3.1Å |
| 276 | D | 95.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.9 | -178.3 | 52.1 | 0 | 0 | 0 | 111.7 | R236 L272 V273 K278 H279 A280 Y305 | R236-D276 IonicContact NH2-OD2 3.32Å; R236-D276 PolarHBondContact NH2-OD2 3.16Å; L272-D276 PolarHBondContact O-N 3.27Å; V273-D276 PolarHBondContact O-N 2.89Å; D276-K278 VanDerWaalsContact C-N 3.34Å; D276-K278 PolarHBondContact O-N 3.08Å; D276-H279 PolarHBondContact O-N 2.87Å; D276-A280 VanDerWaalsContact O-CB 3.3Å; D276-A280 WeakPolarHBondContact O-CB 3.48Å; D276-A280 PolarHBondContact O-N 3.47Å; D276-Y305 PolarHBondContact OD2-OH 3.02Å |
| 277 | F | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 171.5 | 171.7 | -92 | 0 | 0 | 0 | 112.3 | C222 L225 I226 V273 L274 E275 A280 G281 F303 Y305 F315 | C222-F277 HydrophobicContact CB-CD1 3.68Å; C222-F277 HydrophobicContact CB-CE1 3.74Å; C222-F277 VanDerWaalsContact SG-CE1 3.6Å; L225-F277 HydrophobicContact CD2-CZ 4.5Å; I226-F277 HydrophobicContact CD1-CD1 4.35Å; I226-F277 HydrophobicContact CD1-CD2 4.47Å; I226-F277 HydrophobicContact CD1-CG 4.33Å; V273-F277 PolarHBondContact O-N 2.68Å; L274-F277 PolarHBondContact O-N 3.45Å; E275-F277 PolarHBondContact O-N 2.91Å; F277-A280 PolarHBondContact O-N 2.69Å; F277-G281 PolarHBondContact O-N 2.9Å; F277-F303 AromaticContact CD2-CE1 3.88Å; F277-F303 HydrophobicContact CD2-CE1 3.88Å; F277-F303 HydrophobicContact CE2-CD1 4.24Å; F277-F303 AromaticContact CE2-CE1 3.54Å; F277-F303 HydrophobicContact CE2-CE1 3.54Å; F277-F303 HydrophobicContact CZ-CE1 4.16Å; F277-Y305 HydrophobicContact CB-CD1 4.45Å; F277-Y305 HydrophobicContact CB-CE1 4.12Å; F277-Y305 HydrophobicContact CB-CE2 4.27Å; F277-Y305 AromaticContact CD2-CD1 3.74Å; F277-Y305 HydrophobicContact CD2-CD1 3.74Å; F277-Y305 HydrophobicContact CD2-CD2 4.21Å; F277-Y305 HydrophobicContact CD2-CE1 4.24Å; F277-Y305 AromaticContact CD2-CG 3.71Å; F277-Y305 HydrophobicContact CD2-CG 3.71Å; F277-Y305 HydrophobicContact CE2-CG 4.44Å; F277-F315 HydrophobicContact CD2-CE2 4.42Å; F277-F315 AromaticContact CE2-CD2 3.81Å; F277-F315 HydrophobicContact CE2-CD2 3.81Å; F277-F315 HydrophobicContact CE2-CE1 4.36Å; F277-F315 AromaticContact CE2-CE2 3.41Å; F277-F315 HydrophobicContact CE2-CE2 3.41Å; F277-F315 VanDerWaalsContact CE2-CE2 3.41Å; F277-F315 HydrophobicContact CE2-CG 4.45Å; F277-F315 AromaticContact CE2-CZ 3.7Å; F277-F315 HydrophobicContact CE2-CZ 3.7Å; F277-F315 HydrophobicContact CZ-CD1 4.46Å; F277-F315 HydrophobicContact CZ-CD2 4.23Å; F277-F315 HydrophobicContact CZ-CE1 4.26Å; F277-F315 HydrophobicContact CZ-CE2 4.06Å; F277-F315 HydrophobicContact CZ-CG 4.43Å; F277-F315 HydrophobicContact CZ-CZ 4.05Å |
| 278 | K | 95.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -50.3 | 179.9 | 178.5 | -179.3 | 67.9 | -168.5 | 0 | 111.2 | G215 L218 T219 L274 E275 D276 L282 | G215-K278 PolarHBondContact O-NZ 2.91Å; L218-K278 HydrophobicContact CB-CD 3.77Å; L218-K278 HydrophobicContact CB-CG 4.49Å; T219-K278 PolarHBondContact OG1-NZ 2.75Å; L274-K278 VanDerWaalsContact O-CB 3.23Å; L274-K278 WeakPolarHBondContact O-CB 3.4Å; L274-K278 PolarHBondContact O-N 2.84Å; E275-K278 WeakPolarHBondContact O-CB 3.18Å; E275-K278 PolarHBondContact O-N 3.4Å; E275-K278 VanDerWaalsContact O-N 3.16Å; D276-K278 VanDerWaalsContact C-N 3.34Å; D276-K278 PolarHBondContact O-N 3.08Å; K278-L282 HydrophobicContact CG-CD1 3.66Å; K278-L282 HydrophobicContact CG-CG 4.11Å; K278-L282 WeakPolarHBondContact O-CG 3.44Å; K278-L282 PolarHBondContact O-N 3.02Å; K278-L282 VanDerWaalsContact O-N 3.16Å |
| 279 | H | 94.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 38.6 Ų | 38.6 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -37.8 | -179.8 | -69.6 | 97.7 | 0 | 0 | 0 | 112.4 | E275 D276 | E275-H279 PolarHBondContact O-N 2.93Å; E275-H279 PolarHBondContact O-ND1 3.1Å; D276-H279 PolarHBondContact O-N 2.87Å |
| 280 | A | 94.9 | Very high | 94 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.9 | -33.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D276 F277 F303 Y305 | D276-A280 VanDerWaalsContact O-CB 3.3Å; D276-A280 WeakPolarHBondContact O-CB 3.48Å; D276-A280 PolarHBondContact O-N 3.47Å; F277-A280 PolarHBondContact O-N 2.69Å; A280-F303 HydrophobicContact CB-CE2 4.09Å; A280-F303 HydrophobicContact CB-CZ 3.89Å; A280-F303 WeakPolarHBondContact O-CE2 3.13Å; A280-Y305 HydrophobicContact CB-CD2 4.43Å; A280-Y305 HydrophobicContact CB-CE2 4.5Å |
| 281 | G | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -105.5 | -43.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | F277 F303 H319 | F277-G281 PolarHBondContact O-N 2.9Å; G281-F303 VanDerWaalsContact CA-CE2 3.47Å; G281-H319 PolarHBondContact O-CD2 3.21Å |
| 282 | L | 96.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | -66.3 | 142 | -168.3 | -63.2 | -164.8 | 0 | 0 | 0 | 112 | L218 K278 H319 I322 P323 I376 P377 | L218-L282 HydrophobicContact CB-CD1 4.23Å; L218-L282 HydrophobicContact CD1-CD1 4.19Å; K278-L282 HydrophobicContact CG-CD1 3.66Å; K278-L282 HydrophobicContact CG-CG 4.11Å; K278-L282 WeakPolarHBondContact O-CG 3.44Å; K278-L282 PolarHBondContact O-N 3.02Å; K278-L282 VanDerWaalsContact O-N 3.16Å; L282-H319 HydrophobicContact CD2-CB 4.33Å; L282-I322 HydrophobicContact CD1-CB 4.47Å; L282-I322 HydrophobicContact CD1-CG2 3.76Å; L282-I322 HydrophobicContact CD2-CB 3.87Å; L282-I322 HydrophobicContact CD2-CD1 4.03Å; L282-I322 HydrophobicContact CD2-CG2 3.94Å; L282-P323 HydrophobicContact CB-CG 4.32Å; L282-P323 HydrophobicContact CD1-CB 4.39Å; L282-I376 HydrophobicContact CB-CG2 4.37Å; L282-P377 WeakPolarHBondContact O-CD 3.28Å | ||
| 283 | R | 95.3 | Very high | 90.1 | Very high | 60 Ų | 60 | 56 Ų | 56 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | trans | -146.1 | 148.8 | 179 | -65.2 | -178.1 | -175.1 | -82.3 | -12.4 | 110.4 | H319 Y320 P323 P377 | R283-H319 PolarHBondContact N-O 2.7Å; R283-Y320 HydrophobicContact CB-CD1 3.79Å; R283-Y320 HydrophobicContact CB-CE1 3.52Å; R283-Y320 HydrophobicContact CG-CE1 4.5Å; R283-Y320 WeakPolarHBondContact O-CA 3.21Å; R283-Y320 WeakPolarHBondContact O-CD1 3.41Å; R283-P323 VanDerWaalsContact O-CG 3.24Å; R283-P323 WeakPolarHBondContact O-CG 3.48Å; R283-P377 HydrophobicContact CG-CB 4.36Å; R283-P377 HydrophobicContact CG-CG 4.47Å | ||
| 284 | L | 95 | Very high | 88.3 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -112.7 | 141.7 | 174.4 | -77.4 | 161.6 | 0 | 0 | 0 | 110.5 | P323 F327 I376 P377 F379 R382 | L284-P323 HydrophobicContact CD1-CB 4.21Å; L284-P323 HydrophobicContact CD2-CB 3.78Å; L284-P323 HydrophobicContact CD2-CG 3.77Å; L284-P323 HydrophobicContact CG-CB 3.82Å; L284-P323 HydrophobicContact CG-CG 3.84Å; L284-F327 HydrophobicContact CD1-CE2 3.66Å; L284-F327 HydrophobicContact CD1-CZ 4.28Å; L284-F327 HydrophobicContact CD2-CD2 4.18Å; L284-F327 HydrophobicContact CD2-CE2 3.86Å; L284-F327 HydrophobicContact CG-CE2 4.41Å; L284-I376 HydrophobicContact CD1-CB 4.45Å; L284-I376 HydrophobicContact CD1-CG2 3.94Å; L284-I376 HydrophobicContact CG-CG2 4.02Å; L284-P377 PolarHBondContact N-O 3.48Å; L284-F379 HydrophobicContact CD1-CB 3.98Å; L284-F379 HydrophobicContact CD1-CD2 3.79Å; L284-F379 HydrophobicContact CD1-CG 4.29Å; L284-R382 HydrophobicContact CB-CB 4.26Å; L284-R382 HydrophobicContact CD2-CG 4.42Å | ||
| 285 | L | 93 | Very high | 86.3 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | trans | -86.4 | 146.9 | 165.7 | -60 | 179.2 | 0 | 0 | 0 | 108.6 | K287 F289 L300 Y320 R382 | L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 CarbonylContact C-O 3.56Å; L285-K287 VanDerWaalsContact CB-O 3.32Å; L285-K287 WeakPolarHBondContact CB-O 3.35Å; L285-K287 PolarHBondContact O-N 3.35Å; L285-F289 HydrophobicContact CD1-CD2 4.13Å; L285-L300 HydrophobicContact CD1-CD2 4.2Å; L285-L300 HydrophobicContact CD2-CD2 3.86Å; L285-Y320 HydrophobicContact CD2-CD1 3.8Å; L285-Y320 HydrophobicContact CD2-CE1 3.76Å; L285-Y320 HydrophobicContact CG-CD1 3.87Å; L285-Y320 HydrophobicContact CG-CE1 4.35Å; L285-R382 WeakPolarHBondContact O-CB 3.19Å; L285-R382 WeakPolarHBondContact O-CD 3.37Å | ||
| 286 | E | 89.8 | Confident | 84.6 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -60.1 | -44.3 | 175 | 177.1 | 177.8 | 149.3 | 0 | 0 | 111.6 | K381 R382 H385 | E286-K381 HydrophobicContact CB-CB 4.13Å; E286-K381 HydrophobicContact CG-CB 4.04Å; E286-R382 WeakPolarHBondContact O-CD 3.42Å; E286-H385 HydrophobicContact CG-CB 4.42Å; E286-H385 WeakPolarHBondContact O-CB 3.2Å |
| 287 | K | 90.8 | Very high | 82.5 | Confident | 146 Ų | 146 | 63.4 Ų | 63.4 | 64% | 0.635 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -87.4 | 153.2 | 173.3 | -66.7 | -175.6 | -179.8 | -179.2 | 0 | 110.3 | L285 F289 | L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 CarbonylContact C-O 3.56Å; L285-K287 VanDerWaalsContact CB-O 3.32Å; L285-K287 WeakPolarHBondContact CB-O 3.35Å; L285-K287 PolarHBondContact O-N 3.35Å; K287-F289 PolarHBondContact O-N 2.63Å |
| 288 | P | 90.5 | Very high | 80.8 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 20% | 0.195 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 139.4 | -177 | -18.8 | 28.6 | 0 | 0 | 0 | 113.1 | K290 | P288-K290 PolarHBondContact O-N 3.12Š|
| 289 | F | 89 | Confident | 79.8 | Confident | 3 Ų | 3 | 78.1 Ų | 78.1 | 1% | 0.013 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 132.6 | -175.3 | 179.9 | -99.2 | 0 | 0 | 0 | 111.5 | L285 K287 E291 A294 L300 K321 E324 Y331 | L285-F289 HydrophobicContact CD1-CD2 4.13Å; K287-F289 PolarHBondContact O-N 2.63Å; F289-E291 HydrophobicContact CE1-CB 4.25Å; F289-A294 HydrophobicContact CE2-CB 3.98Å; F289-A294 HydrophobicContact CZ-CB 4.09Å; F289-L300 HydrophobicContact CE2-CD1 4.48Å; F289-K321 HydrophobicContact CD1-CB 4.2Å; F289-K321 HydrophobicContact CD1-CG 4.33Å; F289-K321 HydrophobicContact CE1-CB 3.86Å; F289-K321 HydrophobicContact CE1-CD 4.31Å; F289-K321 HydrophobicContact CE1-CG 4.1Å; F289-K321 HydrophobicContact CZ-CB 4.26Å; F289-E324 HydrophobicContact CB-CG 4.27Å; F289-E324 VanDerWaalsContact CB-OE2 3.3Å; F289-E324 WeakPolarHBondContact CB-OE2 3.14Å; F289-E324 PolarHBondContact N-OE1 2.64Å; F289-E324 PolarHBondContact N-OE2 2.96Å; F289-Y331 HydrophobicContact CD1-CE1 4.35Å; F289-Y331 PolarHBondContact O-OH 2.89Å |
| 290 | K | 85.3 | Confident | 79.3 | Confident | 136 Ų | 136 | 75 Ų | 75 | 59% | 0.591 | 40% | 0.395 | S | S | * | . | trans | -130 | 117.6 | 174.9 | -68.4 | -174.7 | -178.9 | -175.7 | 0 | 109.4 | P288 Q292 S293 A294 | P288-K290 PolarHBondContact O-N 3.12Å; K290-Q292 VanDerWaalsContact C-N 3.3Å; K290-Q292 PolarHBondContact O-N 3.23Å; K290-S293 PolarHBondContact O-N 3.01Å; K290-S293 VanDerWaalsContact O-N 3.1Å; K290-A294 PolarHBondContact O-N 2.97Å | ||
| 291 | E | 76.8 | Confident | 78.8 | Confident | 107 Ų | 107 | 81 Ų | 81 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | -175.5 | -165.2 | 148.3 | -161.6 | 0 | 0 | 112.2 | F289 S293 A294 S295 K321 | F289-E291 HydrophobicContact CE1-CB 4.25Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 3.27Å; E291-A294 WeakPolarHBondContact O-CB 3.46Å; E291-A294 PolarHBondContact O-N 3.42Å; E291-A294 VanDerWaalsContact O-N 3.17Å; E291-S295 PolarHBondContact O-N 2.85Å; E291-K321 IonicContact OE1-NZ 3.99Å; E291-K321 IonicContact OE2-NZ 3.5Å; E291-K321 PolarHBondContact OE2-NZ 3.06Å |
| 292 | Q | 67.4 | Low | 78.6 | Confident | 177 Ų | 177 | 86.8 Ų | 86.8 | 83% | 0.827 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.3 | -27.6 | 177 | -63.2 | 177.8 | 9.8 | 0 | 0 | 113.8 | K290 S295 | K290-Q292 VanDerWaalsContact C-N 3.3Å; K290-Q292 PolarHBondContact O-N 3.23Å; Q292-S295 PolarHBondContact O-OG 3.39Å |
| 293 | S | 62.6 | Low | 78.4 | Confident | 73 Ų | 73 | 87.7 Ų | 87.7 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -85.2 | -23.4 | 177.2 | -44.9 | 0 | 0 | 0 | 0 | 111.9 | K290 E291 | K290-S293 PolarHBondContact O-N 3.01Å; K290-S293 VanDerWaalsContact O-N 3.1Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 3.27Å |
| 294 | A | 58 | Low | 78.3 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 12% | 0.124 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -81 | -20 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F289 K290 E291 S296 L300 | F289-A294 HydrophobicContact CE2-CB 3.98Å; F289-A294 HydrophobicContact CZ-CB 4.09Å; K290-A294 PolarHBondContact O-N 2.97Å; E291-A294 WeakPolarHBondContact O-CB 3.46Å; E291-A294 PolarHBondContact O-N 3.42Å; E291-A294 VanDerWaalsContact O-N 3.17Å; A294-S296 PolarHBondContact O-N 3.29Å; A294-L300 HydrophobicContact CB-CD1 3.62Å |
| 295 | S | 55.3 | Low | 78.2 | Confident | 88 Ų | 88 | 90.3 Ų | 90.3 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.6 | 179.7 | 62 | 0 | 0 | 0 | 0 | 114 | E291 Q292 P297 | E291-S295 PolarHBondContact O-N 2.85Å; Q292-S295 PolarHBondContact O-OG 3.39Å; S295-P297 WeakPolarHBondContact O-CD 3.15Å; S295-P297 VanDerWaalsContact O-N 3.17Å |
| 296 | S | 59.9 | Low | 78.2 | Confident | 53 Ų | 53 | 90.5 Ų | 90.5 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -66.4 | 109.2 | 167 | -72.8 | 0 | 0 | 0 | 0 | 109.2 | A294 N298 K299 | A294-S296 PolarHBondContact O-N 3.29Å; S296-N298 PolarHBondContact O-N 3.21Å; S296-K299 PolarHBondContact O-N 2.97Å |
| 297 | P | 53.2 | Low | 78.4 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.3 | -164.1 | 22.5 | -33.3 | 0 | 0 | 0 | 115.3 | S295 | S295-P297 WeakPolarHBondContact O-CD 3.15Å; S295-P297 VanDerWaalsContact O-N 3.17Å |
| 298 | N | 58.7 | Low | 78.4 | Confident | 157 Ų | 157 | 79.6 Ų | 79.6 | 84% | 0.84 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -2.6 | -172.2 | -72.9 | -9.2 | 0 | 0 | 0 | 115.5 | S296 | S296-N298 PolarHBondContact O-N 3.21Š|
| 299 | K | 76.1 | Confident | 78.4 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 74% | 0.739 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -33.3 | -175.2 | -75.8 | -173.6 | 179.9 | 177.3 | 0 | 114.5 | S296 | S296-K299 PolarHBondContact O-N 2.97Š|
| 300 | L | 82.6 | Confident | 78.5 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 23% | 0.225 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -106.6 | 136.6 | -175.4 | -64.3 | -179.9 | 0 | 0 | 0 | 111.6 | L285 F289 A294 K302 Y320 | L285-L300 HydrophobicContact CD1-CD2 4.2Å; L285-L300 HydrophobicContact CD2-CD2 3.86Å; F289-L300 HydrophobicContact CE2-CD1 4.48Å; A294-L300 HydrophobicContact CB-CD1 3.62Å; L300-K302 PolarHBondContact O-N 2.56Å; L300-Y320 HydrophobicContact CB-CE2 4.03Å; L300-Y320 HydrophobicContact CD1-CD2 4.23Å; L300-Y320 HydrophobicContact CD1-CE2 4.36Å |
| 301 | R | 85.2 | Confident | 78.7 | Confident | 170 Ų | 170 | 76.2 Ų | 76.2 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | trans | -65 | 128.9 | 176 | 176.2 | 177.1 | 178.1 | 179.9 | 2 | 109.6 | H319 Y320 | R301-H319 PolarHBondContact O-CE1 2.7Å; R301-Y320 PolarHBondContact O-OH 3.03Å | ||
| 302 | K | 89.9 | Confident | 79.3 | Confident | 121 Ų | 121 | 77.7 Ų | 77.7 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | trans | -74.1 | 151.7 | 169.9 | -60.4 | 175 | -174.8 | 170.2 | 0 | 110.3 | L300 V314 | L300-K302 PolarHBondContact O-N 2.56Å; K302-V314 HydrophobicContact CB-CG1 4.15Å; K302-V314 HydrophobicContact CD-CG1 4.21Å | ||
| 303 | F | 91.9 | Very high | 80.4 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.1 | 174.7 | 170.2 | -121.3 | 0 | 0 | 0 | 109.2 | F277 A280 G281 Y305 V314 F315 | F277-F303 AromaticContact CD2-CE1 3.88Å; F277-F303 HydrophobicContact CD2-CE1 3.88Å; F277-F303 HydrophobicContact CE2-CD1 4.24Å; F277-F303 AromaticContact CE2-CE1 3.54Å; F277-F303 HydrophobicContact CE2-CE1 3.54Å; F277-F303 HydrophobicContact CZ-CE1 4.16Å; A280-F303 HydrophobicContact CB-CE2 4.09Å; A280-F303 HydrophobicContact CB-CZ 3.89Å; A280-F303 WeakPolarHBondContact O-CE2 3.13Å; G281-F303 VanDerWaalsContact CA-CE2 3.47Å; F303-Y305 HydrophobicContact CE1-CG 4.45Å; F303-Y305 AromaticContact CZ-CD2 3.84Å; F303-Y305 HydrophobicContact CZ-CD2 3.84Å; F303-Y305 HydrophobicContact CZ-CG 4.16Å; F303-V314 CarbonylContact O-C 3.52Å; F303-V314 WeakPolarHBondContact O-CA 3.33Å; F303-F315 HydrophobicContact CD1-CB 4.37Å; F303-F315 AromaticContact CD1-CD2 3.98Å; F303-F315 HydrophobicContact CD1-CD2 3.98Å; F303-F315 HydrophobicContact CE1-CD2 4.39Å; F303-F315 PolarHBondContact N-O 3.39Å; F303-F315 PolarHBondContact O-N 3.5Å |
| 304 | E | 92.7 | Very high | 81.8 | Confident | 110 Ų | 110 | 70.5 Ų | 70.5 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132 | 174.1 | -175.6 | 176.3 | -176.2 | 0 | 0 | 108.5 | R312 T313 V314 | E304-R312 WeakPolarHBondContact OE1-CD 3.49Å; E304-T313 WeakPolarHBondContact CA-O 3.4Å; E304-V314 HydrophobicContact CB-CG2 4.3Å; E304-V314 HydrophobicContact CG-CG2 4.04Å |
| 305 | Y | 94.5 | Very high | 83.4 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.4 | 177.2 | -174.4 | -104.4 | 0 | 0 | 0 | 110.4 | D276 F277 A280 F303 F307 R312 T313 | D276-Y305 PolarHBondContact OD2-OH 3.02Å; F277-Y305 HydrophobicContact CB-CD1 4.45Å; F277-Y305 HydrophobicContact CB-CE1 4.12Å; F277-Y305 HydrophobicContact CB-CE2 4.27Å; F277-Y305 AromaticContact CD2-CD1 3.74Å; F277-Y305 HydrophobicContact CD2-CD1 3.74Å; F277-Y305 HydrophobicContact CD2-CD2 4.21Å; F277-Y305 HydrophobicContact CD2-CE1 4.24Å; F277-Y305 AromaticContact CD2-CG 3.71Å; F277-Y305 HydrophobicContact CD2-CG 3.71Å; F277-Y305 HydrophobicContact CE2-CG 4.44Å; A280-Y305 HydrophobicContact CB-CD2 4.43Å; A280-Y305 HydrophobicContact CB-CE2 4.5Å; F303-Y305 HydrophobicContact CE1-CG 4.45Å; F303-Y305 AromaticContact CZ-CD2 3.84Å; F303-Y305 HydrophobicContact CZ-CD2 3.84Å; F303-Y305 HydrophobicContact CZ-CG 4.16Å; Y305-F307 AromaticContact CD1-CD1 3.87Å; Y305-F307 HydrophobicContact CD1-CD1 3.87Å; Y305-F307 HydrophobicContact CD1-CD2 4.08Å; Y305-F307 AromaticContact CD1-CE1 3.78Å; Y305-F307 HydrophobicContact CD1-CE1 3.78Å; Y305-F307 HydrophobicContact CD1-CE2 4.02Å; Y305-F307 HydrophobicContact CD1-CG 4Å; Y305-F307 AromaticContact CD1-CZ 3.86Å; Y305-F307 HydrophobicContact CD1-CZ 3.86Å; Y305-F307 AromaticContact CE1-CD1 3.61Å; Y305-F307 HydrophobicContact CE1-CD1 3.61Å; Y305-F307 AromaticContact CE1-CE1 3.76Å; Y305-F307 HydrophobicContact CE1-CE1 3.76Å; Y305-F307 HydrophobicContact CE1-CG 4.04Å; Y305-F307 HydrophobicContact CE1-CZ 4.31Å; Y305-R312 WeakPolarHBondContact O-CA 3.3Å; Y305-T313 PolarHBondContact N-O 3.35Å; Y305-T313 PolarHBondContact O-N 2.87Å |
| 306 | E | 92.3 | Very high | 85 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.7 | 174.3 | -172.9 | -179.4 | 132.4 | 0 | 0 | 109.7 | K242 R312 | K242-E306 IonicContact NZ-OE1 2.68Å; K242-E306 PolarHBondContact NZ-OE1 3.09Å; E306-R312 HydrophobicContact CB-CG 4.01Å; E306-R312 HydrophobicContact CG-CG 3.9Å; E306-R312 IonicContact OE2-CZ 3.62Å; E306-R312 IonicContact OE2-NE 3.53Å; E306-R312 PolarHBondContact OE2-NE 3.47Å; E306-R312 IonicContact OE2-NH2 3.58Å; E306-R312 PolarHBondContact OE2-NH2 3.16Å |
| 307 | F | 93.3 | Very high | 86.4 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | trans | -67.9 | 163.1 | 177.4 | -72.7 | -79.5 | 0 | 0 | 0 | 112.1 | I226 K242 V273 Y305 N309 A310 V311 F315 | I226-F307 HydrophobicContact CD1-CE1 3.81Å; I226-F307 HydrophobicContact CD1-CZ 3.83Å; I226-F307 HydrophobicContact CG1-CE1 4.4Å; I226-F307 HydrophobicContact CG1-CZ 3.94Å; I226-F307 HydrophobicContact CG2-CE1 4.32Å; I226-F307 HydrophobicContact CG2-CZ 3.95Å; K242-F307 PolarHBondContact NZ-O 3.04Å; V273-F307 HydrophobicContact CG1-CD1 4.38Å; Y305-F307 AromaticContact CD1-CD1 3.87Å; Y305-F307 HydrophobicContact CD1-CD1 3.87Å; Y305-F307 HydrophobicContact CD1-CD2 4.08Å; Y305-F307 AromaticContact CD1-CE1 3.78Å; Y305-F307 HydrophobicContact CD1-CE1 3.78Å; Y305-F307 HydrophobicContact CD1-CE2 4.02Å; Y305-F307 HydrophobicContact CD1-CG 4Å; Y305-F307 AromaticContact CD1-CZ 3.86Å; Y305-F307 HydrophobicContact CD1-CZ 3.86Å; Y305-F307 AromaticContact CE1-CD1 3.61Å; Y305-F307 HydrophobicContact CE1-CD1 3.61Å; Y305-F307 AromaticContact CE1-CE1 3.76Å; Y305-F307 HydrophobicContact CE1-CE1 3.76Å; Y305-F307 HydrophobicContact CE1-CG 4.04Å; Y305-F307 HydrophobicContact CE1-CZ 4.31Å; F307-N309 WeakPolarHBondContact CB-OD1 3.19Å; F307-N309 PolarHBondContact O-N 3.22Å; F307-N309 VanDerWaalsContact O-N 3.12Å; F307-A310 WeakPolarHBondContact O-CA 3.26Å; F307-A310 PolarHBondContact O-N 3.15Å; F307-V311 WeakPolarHBondContact CD2-O 3.44Å; F307-V311 PolarHBondContact N-O 2.96Å; F307-F315 HydrophobicContact CE2-CZ 4.49Å; F307-F315 HydrophobicContact CZ-CZ 4.38Å | ||
| 308 | P | 92 | Very high | 88.2 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.2 | 176.8 | -29.5 | 37.6 | 0 | 0 | 0 | 113.9 | V234 R236 V239 K242 V273 A310 | V234-P308 WeakPolarHBondContact O-CG 3.39Å; R236-P308 HydrophobicContact CG-CB 4.19Å; R236-P308 HydrophobicContact CG-CG 3.91Å; V239-P308 HydrophobicContact CG2-CB 4.16Å; K242-P308 WeakPolarHBondContact CE-O 3.49Å; V273-P308 HydrophobicContact CG1-CG 3.94Å; V273-P308 HydrophobicContact CG2-CG 3.82Å; P308-A310 PolarHBondContact O-N 2.8Å |
| 309 | N | 90.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 7.1 | 176.3 | 65.9 | -0.6 | 0 | 0 | 0 | 114.6 | V234 S252 F307 V311 | V234-N309 HydrophobicContact CB-CB 4.1Å; V234-N309 HydrophobicContact CG1-CB 4.43Å; V234-N309 HydrophobicContact CG2-CB 4.05Å; S252-N309 PolarHBondContact N-O 3.32Å; S252-N309 VanDerWaalsContact OG-CA 3.3Å; S252-N309 WeakPolarHBondContact OG-CA 3.3Å; S252-N309 WeakPolarHBondContact OG-CB 3.34Å; S252-N309 PolarHBondContact OG-O 3.13Å; F307-N309 WeakPolarHBondContact CB-OD1 3.19Å; F307-N309 PolarHBondContact O-N 3.22Å; F307-N309 VanDerWaalsContact O-N 3.12Å; N309-V311 PolarHBondContact O-N 3.25Å; N309-V311 VanDerWaalsContact OD1-CB 3.29Å; N309-V311 WeakPolarHBondContact OD1-CB 3.33Å; N309-V311 WeakPolarHBondContact OD1-CG2 3.23Å; N309-V311 PolarHBondContact OD1-N 2.84Å |
| 310 | A | 89.8 | Confident | 90.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 67.7 | 6.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K242 P250 F307 P308 R312 | K242-A310 HydrophobicContact CB-CB 4.35Å; K242-A310 HydrophobicContact CD-CB 3.91Å; K242-A310 HydrophobicContact CG-CB 4.01Å; P250-A310 HydrophobicContact CB-CB 4.03Å; P250-A310 HydrophobicContact CG-CB 4.45Å; F307-A310 WeakPolarHBondContact O-CA 3.26Å; F307-A310 PolarHBondContact O-N 3.15Å; P308-A310 PolarHBondContact O-N 2.8Å; A310-R312 PolarHBondContact O-N 2.92Å |
| 311 | V | 89.3 | Confident | 91 | Very high | 70 Ų | 70 | 56 Ų | 56 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | trans | -72.1 | 128 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | F307 N309 | F307-V311 WeakPolarHBondContact CD2-O 3.44Å; F307-V311 PolarHBondContact N-O 2.96Å; N309-V311 PolarHBondContact O-N 3.25Å; N309-V311 VanDerWaalsContact OD1-CB 3.29Å; N309-V311 WeakPolarHBondContact OD1-CB 3.33Å; N309-V311 WeakPolarHBondContact OD1-CG2 3.23Å; N309-V311 PolarHBondContact OD1-N 2.84Å | ||
| 312 | R | 90 | Very high | 91.4 | Very high | 138 Ų | 138 | 48.7 Ų | 48.7 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.5 | 175.2 | -65.5 | -176.8 | 179.9 | 177.9 | -1.6 | 109.8 | E304 Y305 E306 A310 | E304-R312 WeakPolarHBondContact OE1-CD 3.49Å; Y305-R312 WeakPolarHBondContact O-CA 3.3Å; E306-R312 HydrophobicContact CB-CG 4.01Å; E306-R312 HydrophobicContact CG-CG 3.9Å; E306-R312 IonicContact OE2-CZ 3.62Å; E306-R312 IonicContact OE2-NE 3.53Å; E306-R312 PolarHBondContact OE2-NE 3.47Å; E306-R312 IonicContact OE2-NH2 3.58Å; E306-R312 PolarHBondContact OE2-NH2 3.16Å; A310-R312 PolarHBondContact O-N 2.92Å |
| 313 | T | 91 | Very high | 91.7 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.9 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | E304 Y305 F315 | E304-T313 WeakPolarHBondContact CA-O 3.4Å; Y305-T313 PolarHBondContact N-O 3.35Å; Y305-T313 PolarHBondContact O-N 2.87Å; T313-F315 HydrophobicContact CG2-CD2 4.35Å; T313-F315 HydrophobicContact CG2-CE1 3.96Å; T313-F315 HydrophobicContact CG2-CE2 3.65Å; T313-F315 HydrophobicContact CG2-CZ 3.45Å; T313-F315 VanDerWaalsContact CG2-CZ 3.45Å |
| 314 | V | 91.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.1 | 179.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | K302 F303 E304 | K302-V314 HydrophobicContact CB-CG1 4.15Å; K302-V314 HydrophobicContact CD-CG1 4.21Å; F303-V314 CarbonylContact O-C 3.52Å; F303-V314 WeakPolarHBondContact O-CA 3.33Å; E304-V314 HydrophobicContact CB-CG2 4.3Å; E304-V314 HydrophobicContact CG-CG2 4.04Å |
| 315 | F | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.4 | 175.9 | -57.3 | -87.1 | 0 | 0 | 0 | 109.6 | L225 I226 H229 F277 F303 F307 T313 | L225-F315 HydrophobicContact CD2-CD1 3.83Å; L225-F315 HydrophobicContact CD2-CE1 4.09Å; L225-F315 HydrophobicContact CG-CD1 4.24Å; L225-F315 HydrophobicContact CG-CE1 4.16Å; I226-F315 HydrophobicContact CG1-CZ 4.31Å; H229-F315 AromaticContact CD2-CE1 3.97Å; F277-F315 HydrophobicContact CD2-CE2 4.42Å; F277-F315 AromaticContact CE2-CD2 3.81Å; F277-F315 HydrophobicContact CE2-CD2 3.81Å; F277-F315 HydrophobicContact CE2-CE1 4.36Å; F277-F315 AromaticContact CE2-CE2 3.41Å; F277-F315 HydrophobicContact CE2-CE2 3.41Å; F277-F315 VanDerWaalsContact CE2-CE2 3.41Å; F277-F315 HydrophobicContact CE2-CG 4.45Å; F277-F315 AromaticContact CE2-CZ 3.7Å; F277-F315 HydrophobicContact CE2-CZ 3.7Å; F277-F315 HydrophobicContact CZ-CD1 4.46Å; F277-F315 HydrophobicContact CZ-CD2 4.23Å; F277-F315 HydrophobicContact CZ-CE1 4.26Å; F277-F315 HydrophobicContact CZ-CE2 4.06Å; F277-F315 HydrophobicContact CZ-CG 4.43Å; F277-F315 HydrophobicContact CZ-CZ 4.05Å; F303-F315 HydrophobicContact CD1-CB 4.37Å; F303-F315 AromaticContact CD1-CD2 3.98Å; F303-F315 HydrophobicContact CD1-CD2 3.98Å; F303-F315 HydrophobicContact CE1-CD2 4.39Å; F303-F315 PolarHBondContact N-O 3.39Å; F303-F315 PolarHBondContact O-N 3.5Å; F307-F315 HydrophobicContact CE2-CZ 4.49Å; F307-F315 HydrophobicContact CZ-CZ 4.38Å; T313-F315 HydrophobicContact CG2-CD2 4.35Å; T313-F315 HydrophobicContact CG2-CE1 3.96Å; T313-F315 HydrophobicContact CG2-CE2 3.65Å; T313-F315 HydrophobicContact CG2-CZ 3.45Å; T313-F315 VanDerWaalsContact CG2-CZ 3.45Å |
| 316 | R | 88.3 | Confident | 91.9 | Very high | 168 Ų | 168 | 36 Ų | 36 | 63% | 0.634 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -98.6 | -93.1 | -175.1 | -64 | -179.2 | -176.8 | 172 | 1.2 | 110.1 | E318 H319 | R316-E318 WeakPolarHBondContact CA-OE2 3.24Å; R316-E318 PolarHBondContact N-OE2 2.92Å; R316-H319 PolarHBondContact O-CE1 2.98Å; R316-H319 PolarHBondContact O-ND1 3.32Å |
| 317 | S | 89.9 | Confident | 92 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -96.2 | -12.9 | -176.9 | 52.2 | 0 | 0 | 0 | 0 | 113 | H319 Y320 K321 | S317-H319 VanDerWaalsContact C-N 3.34Å; S317-H319 PolarHBondContact O-N 2.78Å; S317-Y320 WeakPolarHBondContact O-CB 3.33Å; S317-Y320 PolarHBondContact O-N 3.04Å; S317-Y320 VanDerWaalsContact O-N 3.1Å; S317-K321 PolarHBondContact O-N 2.97Å |
| 318 | E | 89.9 | Confident | 92 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | -171.3 | -53.6 | 96.2 | 135.8 | 0 | 0 | 112.6 | L225 H229 R316 Y320 K321 I322 | L225-E318 HydrophobicContact CD1-CB 3.55Å; L225-E318 HydrophobicContact CD1-CG 3.77Å; L225-E318 HydrophobicContact CD2-CB 3.65Å; L225-E318 HydrophobicContact CG-CB 4.27Å; H229-E318 IonicContact CE1-OE1 2.89Å; H229-E318 PolarHBondContact CE1-OE1 3.12Å; H229-E318 VanDerWaalsContact CE1-OE1 3.32Å; H229-E318 IonicContact NE2-OE1 3.81Å; H229-E318 PolarHBondContact NE2-OE1 3.35Å; R316-E318 WeakPolarHBondContact CA-OE2 3.24Å; R316-E318 PolarHBondContact N-OE2 2.92Å; E318-Y320 PolarHBondContact O-N 3.01Å; E318-K321 WeakPolarHBondContact O-CB 3.24Å; E318-K321 PolarHBondContact O-N 3.25Å; E318-I322 PolarHBondContact O-N 2.88Å; E318-I322 VanDerWaalsContact O-N 3.13Å |
| 319 | H | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.4 | -13.9 | 176.5 | 72.1 | -84.9 | 0 | 0 | 0 | 113.9 | G281 L282 R283 R301 R316 S317 P323 | G281-H319 PolarHBondContact O-CD2 3.21Å; L282-H319 HydrophobicContact CD2-CB 4.33Å; R283-H319 PolarHBondContact N-O 2.7Å; R301-H319 PolarHBondContact O-CE1 2.7Å; R316-H319 PolarHBondContact O-CE1 2.98Å; R316-H319 PolarHBondContact O-ND1 3.32Å; S317-H319 VanDerWaalsContact C-N 3.34Å; S317-H319 PolarHBondContact O-N 2.78Å; H319-P323 VanDerWaalsContact O-CD 3.27Å; H319-P323 WeakPolarHBondContact O-CD 3.47Å |
| 320 | Y | 93.2 | Very high | 91.6 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.2 | -29.1 | 167.1 | -63.8 | -86.4 | 0 | 0 | 0 | 112.5 | R283 L285 L300 R301 S317 E318 | R283-Y320 HydrophobicContact CB-CD1 3.79Å; R283-Y320 HydrophobicContact CB-CE1 3.52Å; R283-Y320 HydrophobicContact CG-CE1 4.5Å; R283-Y320 WeakPolarHBondContact O-CA 3.21Å; R283-Y320 WeakPolarHBondContact O-CD1 3.41Å; L285-Y320 HydrophobicContact CD2-CD1 3.8Å; L285-Y320 HydrophobicContact CD2-CE1 3.76Å; L285-Y320 HydrophobicContact CG-CD1 3.87Å; L285-Y320 HydrophobicContact CG-CE1 4.35Å; L300-Y320 HydrophobicContact CB-CE2 4.03Å; L300-Y320 HydrophobicContact CD1-CD2 4.23Å; L300-Y320 HydrophobicContact CD1-CE2 4.36Å; R301-Y320 PolarHBondContact O-OH 3.03Å; S317-Y320 WeakPolarHBondContact O-CB 3.33Å; S317-Y320 PolarHBondContact O-N 3.04Å; S317-Y320 VanDerWaalsContact O-N 3.1Å; E318-Y320 PolarHBondContact O-N 3.01Å |
| 321 | K | 92.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -73.6 | -37.1 | -179.5 | -173.9 | 175.8 | -180 | 166.3 | 0 | 112.3 | F289 E291 S317 E318 E324 Y331 | F289-K321 HydrophobicContact CD1-CB 4.2Å; F289-K321 HydrophobicContact CD1-CG 4.33Å; F289-K321 HydrophobicContact CE1-CB 3.86Å; F289-K321 HydrophobicContact CE1-CD 4.31Å; F289-K321 HydrophobicContact CE1-CG 4.1Å; F289-K321 HydrophobicContact CZ-CB 4.26Å; E291-K321 IonicContact OE1-NZ 3.99Å; E291-K321 IonicContact OE2-NZ 3.5Å; E291-K321 PolarHBondContact OE2-NZ 3.06Å; S317-K321 PolarHBondContact O-N 2.97Å; E318-K321 WeakPolarHBondContact O-CB 3.24Å; E318-K321 PolarHBondContact O-N 3.25Å; K321-E324 WeakPolarHBondContact O-CB 3.34Å; K321-E324 PolarHBondContact O-N 3.18Å; K321-Y331 HydrophobicContact CD-CD1 4.2Å; K321-Y331 HydrophobicContact CD-CE1 4.34Å; K321-Y331 HydrophobicContact CG-CD1 3.6Å; K321-Y331 HydrophobicContact CG-CE1 3.9Å |
| 322 | I | 93.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -58 | -55.8 | -178.2 | -70 | 167.1 | 0 | 0 | 0 | 112.8 | L218 L225 L282 E318 E324 V325 | L218-I322 HydrophobicContact CB-CG2 4.49Å; L218-I322 HydrophobicContact CD2-CG2 3.93Å; L225-I322 HydrophobicContact CB-CD1 4.13Å; L225-I322 HydrophobicContact CD2-CD1 3.52Å; L225-I322 HydrophobicContact CG-CD1 4.43Å; L282-I322 HydrophobicContact CD1-CB 4.47Å; L282-I322 HydrophobicContact CD1-CG2 3.76Å; L282-I322 HydrophobicContact CD2-CB 3.87Å; L282-I322 HydrophobicContact CD2-CD1 4.03Å; L282-I322 HydrophobicContact CD2-CG2 3.94Å; E318-I322 PolarHBondContact O-N 2.88Å; E318-I322 VanDerWaalsContact O-N 3.13Å; I322-E324 PolarHBondContact O-N 3.1Å; I322-V325 VanDerWaalsContact O-CG1 3.23Å; I322-V325 WeakPolarHBondContact O-CG1 3.48Å; I322-V325 PolarHBondContact O-N 3.25Å |
| 323 | P | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -71.3 | -11.6 | -177.4 | 30.7 | -37.2 | 0 | 0 | 0 | 113.5 | L218 L282 R283 L284 H319 V325 L326 I376 | L218-P323 HydrophobicContact CD2-CB 4.48Å; L282-P323 HydrophobicContact CB-CG 4.32Å; L282-P323 HydrophobicContact CD1-CB 4.39Å; R283-P323 VanDerWaalsContact O-CG 3.24Å; R283-P323 WeakPolarHBondContact O-CG 3.48Å; L284-P323 HydrophobicContact CD1-CB 4.21Å; L284-P323 HydrophobicContact CD2-CB 3.78Å; L284-P323 HydrophobicContact CD2-CG 3.77Å; L284-P323 HydrophobicContact CG-CB 3.82Å; L284-P323 HydrophobicContact CG-CG 3.84Å; H319-P323 VanDerWaalsContact O-CD 3.27Å; H319-P323 WeakPolarHBondContact O-CD 3.47Å; P323-V325 PolarHBondContact O-N 3.17Å; P323-L326 PolarHBondContact O-N 3.24Å; P323-I376 HydrophobicContact CB-CD1 4.11Å; P323-I376 HydrophobicContact CB-CG2 4.38Å |
| 324 | E | 94.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -56 | -29 | 171.5 | -169 | 69.7 | -164.1 | 0 | 0 | 111.9 | F289 K321 I322 L326 F327 R328 Y331 R382 | F289-E324 HydrophobicContact CB-CG 4.27Å; F289-E324 VanDerWaalsContact CB-OE2 3.3Å; F289-E324 WeakPolarHBondContact CB-OE2 3.14Å; F289-E324 PolarHBondContact N-OE1 2.64Å; F289-E324 PolarHBondContact N-OE2 2.96Å; K321-E324 WeakPolarHBondContact O-CB 3.34Å; K321-E324 PolarHBondContact O-N 3.18Å; I322-E324 PolarHBondContact O-N 3.1Å; E324-L326 PolarHBondContact O-N 3.32Å; E324-L326 VanDerWaalsContact O-N 3.1Å; E324-F327 CarbonylContact O-C 3.47Å; E324-F327 PolarHBondContact O-N 3.1Å; E324-R328 HydrophobicContact CG-CB 4.35Å; E324-R328 PolarHBondContact O-N 3.13Å; E324-R328 IonicContact OE1-CZ 3.09Å; E324-R328 IonicContact OE1-NE 3.64Å; E324-R328 IonicContact OE1-NH1 2.79Å; E324-R328 PolarHBondContact OE1-NH1 3.31Å; E324-Y331 HydrophobicContact CB-CG 4.34Å; E324-Y331 HydrophobicContact CG-CD1 4.36Å; E324-Y331 HydrophobicContact CG-CD2 3.79Å; E324-Y331 HydrophobicContact CG-CE1 4.4Å; E324-Y331 HydrophobicContact CG-CE2 3.83Å; E324-Y331 HydrophobicContact CG-CG 4.05Å; E324-R382 IonicContact OE1-CZ 3.49Å; E324-R382 IonicContact OE1-NH1 2.98Å; E324-R382 PolarHBondContact OE1-NH1 2.95Å; E324-R382 IonicContact OE1-NH2 3.54Å; E324-R382 PolarHBondContact OE1-NH2 3.46Å; E324-R382 IonicContact OE2-CZ 3.99Å; E324-R382 IonicContact OE2-NH1 3.67Å; E324-R382 PolarHBondContact OE2-NH1 2.83Å; E324-R382 IonicContact OE2-NH2 2.91Å |
| 325 | V | 93.5 | Very high | 86 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.7 | -28.9 | -179.2 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | L213 V217 L218 I322 P323 F327 R328 A332 | L213-V325 HydrophobicContact CD2-CG2 4.31Å; V217-V325 HydrophobicContact CG1-CG1 4.31Å; V217-V325 HydrophobicContact CG1-CG2 4.46Å; L218-V325 HydrophobicContact CD2-CG1 3.52Å; I322-V325 VanDerWaalsContact O-CG1 3.23Å; I322-V325 WeakPolarHBondContact O-CG1 3.48Å; I322-V325 PolarHBondContact O-N 3.25Å; P323-V325 PolarHBondContact O-N 3.17Å; V325-F327 VanDerWaalsContact C-N 3.27Å; V325-F327 PolarHBondContact O-N 3.32Å; V325-R328 WeakPolarHBondContact CA-O 3.24Å; V325-R328 CarbonylContact O-C 3.57Å; V325-A332 HydrophobicContact CG2-CB 3.8Å |
| 326 | L | 95.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -64.5 | -33.3 | 176.7 | -59 | -179 | 0 | 0 | 0 | 112 | L213 L218 P323 E324 S343 I344 F379 | L213-L326 HydrophobicContact CB-CD2 3.97Å; L218-L326 HydrophobicContact CD1-CD1 4.31Å; L218-L326 HydrophobicContact CD2-CD2 4.47Å; L218-L326 HydrophobicContact CD2-CG 4.39Å; P323-L326 PolarHBondContact O-N 3.24Å; E324-L326 PolarHBondContact O-N 3.32Å; E324-L326 VanDerWaalsContact O-N 3.1Å; L326-S343 WeakPolarHBondContact O-CA 3.37Å; L326-I344 HydrophobicContact CB-CD1 4.17Å; L326-I344 HydrophobicContact CB-CG1 4.45Å; L326-I344 HydrophobicContact CB-CG2 4.27Å; L326-I344 WeakPolarHBondContact O-CG1 3.35Å; L326-I344 PolarHBondContact O-N 3.28Å; L326-F379 HydrophobicContact CD1-CD2 4.38Å; L326-F379 HydrophobicContact CD1-CE2 3.82Å |
| 327 | F | 95.3 | Very high | 82.4 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -26.9 | -179.4 | -57 | -82.5 | 0 | 0 | 0 | 112.3 | L284 E324 V325 S343 I344 F379 R382 F383 E386 | L284-F327 HydrophobicContact CD1-CE2 3.66Å; L284-F327 HydrophobicContact CD1-CZ 4.28Å; L284-F327 HydrophobicContact CD2-CD2 4.18Å; L284-F327 HydrophobicContact CD2-CE2 3.86Å; L284-F327 HydrophobicContact CG-CE2 4.41Å; E324-F327 CarbonylContact O-C 3.47Å; E324-F327 PolarHBondContact O-N 3.1Å; V325-F327 VanDerWaalsContact C-N 3.27Å; V325-F327 PolarHBondContact O-N 3.32Å; F327-S343 WeakPolarHBondContact O-CB 3.47Å; F327-I344 HydrophobicContact CD1-CD1 4.3Å; F327-I344 HydrophobicContact CD1-CG1 4.16Å; F327-I344 HydrophobicContact CE1-CD1 3.71Å; F327-I344 HydrophobicContact CE1-CG1 4.02Å; F327-I344 HydrophobicContact CE2-CD1 4.5Å; F327-I344 HydrophobicContact CZ-CD1 3.81Å; F327-F379 HydrophobicContact CZ-CD2 4.41Å; F327-F379 HydrophobicContact CZ-CE2 4.3Å; F327-R382 VanDerWaalsContact CB-NH2 3.31Å; F327-R382 HydrophobicContact CD1-CG 4.2Å; F327-R382 HydrophobicContact CD2-CG 3.91Å; F327-R382 HydrophobicContact CE1-CG 3.89Å; F327-R382 HydrophobicContact CE2-CB 4.4Å; F327-R382 HydrophobicContact CE2-CG 3.62Å; F327-R382 HydrophobicContact CG-CG 4.2Å; F327-R382 HydrophobicContact CZ-CB 4.14Å; F327-R382 HydrophobicContact CZ-CG 3.6Å; F327-F383 HydrophobicContact CE1-CB 3.86Å; F327-F383 AromaticContact CE1-CD2 3.89Å; F327-F383 HydrophobicContact CE1-CD2 3.89Å; F327-F383 HydrophobicContact CE1-CG 4.38Å; F327-F383 HydrophobicContact CZ-CB 4.13Å; F327-E386 HydrophobicContact CD1-CB 4.3Å; F327-E386 HydrophobicContact CD1-CG 4.44Å |
| 328 | R | 91.9 | Very high | 81 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | trans | -136.7 | 90 | -179.4 | -66.8 | -170.5 | 178.8 | 141.4 | -15.1 | 109.8 | E324 V325 S330 Y331 | E324-R328 HydrophobicContact CG-CB 4.35Å; E324-R328 PolarHBondContact O-N 3.13Å; E324-R328 IonicContact OE1-CZ 3.09Å; E324-R328 IonicContact OE1-NE 3.64Å; E324-R328 IonicContact OE1-NH1 2.79Å; E324-R328 PolarHBondContact OE1-NH1 3.31Å; V325-R328 WeakPolarHBondContact CA-O 3.24Å; V325-R328 CarbonylContact O-C 3.57Å; R328-S330 PolarHBondContact O-N 3.19Å; R328-Y331 HydrophobicContact CB-CD2 3.54Å; R328-Y331 HydrophobicContact CB-CE2 3.93Å; R328-Y331 HydrophobicContact CG-CE2 4.46Å; R328-Y331 PolarHBondContact O-N 3.4Å | ||
| 329 | P | 89.8 | Confident | 79.5 | Confident | 22 Ų | 22 | 53 Ų | 53 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -55.6 | -24.5 | -179.3 | -26.4 | 35.8 | 0 | 0 | 0 | 113.3 | L213 Y331 A332 L341 | L213-P329 HydrophobicContact CD1-CB 4.44Å; L213-P329 HydrophobicContact CD1-CG 3.81Å; P329-Y331 PolarHBondContact O-N 3.03Å; P329-A332 VanDerWaalsContact O-CB 3.32Å; P329-A332 WeakPolarHBondContact O-CB 3.4Å; P329-A332 PolarHBondContact O-N 3.35Å; P329-L341 HydrophobicContact CB-CB 3.97Å; P329-L341 HydrophobicContact CG-CB 4.44Å; P329-L341 WeakPolarHBondContact CG-O 3.22Å |
| 330 | S | 84.7 | Confident | 78.7 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -56.7 | -17.6 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | R328 A332 | R328-S330 PolarHBondContact O-N 3.19Å; S330-A332 VanDerWaalsContact C-N 3.28Å |
| 331 | Y | 81.9 | Confident | 78.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -81 | -4.8 | 176.2 | -81.5 | -96.4 | 0 | 0 | 0 | 113.8 | F289 K321 E324 R328 P329 | F289-Y331 HydrophobicContact CD1-CE1 4.35Å; F289-Y331 PolarHBondContact O-OH 2.89Å; K321-Y331 HydrophobicContact CD-CD1 4.2Å; K321-Y331 HydrophobicContact CD-CE1 4.34Å; K321-Y331 HydrophobicContact CG-CD1 3.6Å; K321-Y331 HydrophobicContact CG-CE1 3.9Å; E324-Y331 HydrophobicContact CB-CG 4.34Å; E324-Y331 HydrophobicContact CG-CD1 4.36Å; E324-Y331 HydrophobicContact CG-CD2 3.79Å; E324-Y331 HydrophobicContact CG-CE1 4.4Å; E324-Y331 HydrophobicContact CG-CE2 3.83Å; E324-Y331 HydrophobicContact CG-CG 4.05Å; R328-Y331 HydrophobicContact CB-CD2 3.54Å; R328-Y331 HydrophobicContact CB-CE2 3.93Å; R328-Y331 HydrophobicContact CG-CE2 4.46Å; R328-Y331 PolarHBondContact O-N 3.4Å; P329-Y331 PolarHBondContact O-N 3.03Å |
| 332 | A | 74.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | trans | -71 | 129.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V325 P329 S330 A336 | V325-A332 HydrophobicContact CG2-CB 3.8Å; P329-A332 VanDerWaalsContact O-CB 3.32Å; P329-A332 WeakPolarHBondContact O-CB 3.4Å; P329-A332 PolarHBondContact O-N 3.35Å; S330-A332 VanDerWaalsContact C-N 3.28Å; A332-A336 HydrophobicContact CB-CB 3.07Å | ||
| 333 | D | 66.8 | Low | 78.4 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -70 | -46.4 | -177.4 | -84 | -37.5 | 0 | 0 | 0 | 113.1 | T224 K228 K337 | T224-D333 HydrophobicContact CG2-CB 4.32Å; T224-D333 WeakPolarHBondContact CG2-OD2 3.42Å; K228-D333 IonicContact NZ-OD1 2.86Å; K228-D333 PolarHBondContact NZ-OD1 3.39Å; K228-D333 IonicContact NZ-OD2 2.85Å; K228-D333 PolarHBondContact NZ-OD2 2.92Å; D333-K337 WeakPolarHBondContact O-CE 3.22Å |
| 334 | S | 59.2 | Low | 78.4 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -140.6 | -51.2 | -168.2 | -66 | 0 | 0 | 0 | 0 | 116.1 | ||
| 335 | L | 52.5 | Low | 78.5 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.7 | -173.3 | -161.1 | 72.1 | 0 | 0 | 0 | 113.1 | ||
| 336 | A | 51.2 | Low | 78.5 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 22.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A332 D338 L341 | A332-A336 HydrophobicContact CB-CB 3.07Å; A336-D338 PolarHBondContact O-N 3.3Å; A336-L341 HydrophobicContact CB-CD1 3.12Å |
| 337 | K | 52 | Low | 78.5 | Confident | 155 Ų | 155 | 62.8 Ų | 62.8 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | trans | -72 | -1.9 | 163.9 | -77.6 | -173.2 | -179.1 | 174.8 | 0 | 113.2 | D333 L339 | D333-K337 WeakPolarHBondContact O-CE 3.22Å; K337-L339 PolarHBondContact O-N 3.26Å | ||
| 338 | D | 61 | Low | 78.6 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -60 | 105.2 | 162.6 | -166.3 | -17.8 | 0 | 0 | 0 | 108.2 | A336 T340 L341 | A336-D338 PolarHBondContact O-N 3.3Å; D338-T340 PolarHBondContact O-N 2.84Å; D338-T340 WeakPolarHBondContact OD1-CB 3.44Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.42Å; D338-T340 PolarHBondContact OD1-N 2.86Å; D338-T340 PolarHBondContact OD1-OG1 3.31Å; D338-T340 PolarHBondContact OD2-OG1 3.44Å; D338-L341 HydrophobicContact CB-CG 4.3Å; D338-L341 WeakPolarHBondContact O-CG 3.41Å; D338-L341 PolarHBondContact O-N 2.9Å; D338-L341 VanDerWaalsContact O-N 3.12Å | ||
| 339 | L | 57.7 | Low | 78.7 | Confident | 175 Ų | 175 | 59.9 Ų | 59.9 | 92% | 0.916 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -7.7 | -177.1 | -68.1 | 168.8 | 0 | 0 | 0 | 112.5 | K337 | K337-L339 PolarHBondContact O-N 3.26Š|
| 340 | T | 75.8 | Confident | 78.9 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.4 | 179 | 68 | 0 | 0 | 0 | 0 | 114 | D338 R342 | D338-T340 PolarHBondContact O-N 2.84Å; D338-T340 WeakPolarHBondContact OD1-CB 3.44Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.42Å; D338-T340 PolarHBondContact OD1-N 2.86Å; D338-T340 PolarHBondContact OD1-OG1 3.31Å; D338-T340 PolarHBondContact OD2-OG1 3.44Å; T340-R342 PolarHBondContact O-N 3.25Å |
| 341 | L | 86 | Confident | 79.5 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 127.1 | -177.9 | -67.9 | 178.3 | 0 | 0 | 0 | 112.1 | P212 L213 P329 A336 D338 | P212-L341 HydrophobicContact CG-CD2 3.35Å; L213-L341 HydrophobicContact CD2-CD1 4.43Å; P329-L341 HydrophobicContact CB-CB 3.97Å; P329-L341 HydrophobicContact CG-CB 4.44Å; P329-L341 WeakPolarHBondContact CG-O 3.22Å; A336-L341 HydrophobicContact CB-CD1 3.12Å; D338-L341 HydrophobicContact CB-CG 4.3Å; D338-L341 WeakPolarHBondContact O-CG 3.41Å; D338-L341 PolarHBondContact O-N 2.9Å; D338-L341 VanDerWaalsContact O-N 3.12Å |
| 342 | R | 92.1 | Very high | 80 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 141.5 | 178.8 | -62.5 | -174.1 | -67.6 | 161.5 | 0.1 | 110.2 | T211 L213 T340 D346 V347 D350 | T211-R342 PolarHBondContact OG1-O 2.88Å; L213-R342 WeakPolarHBondContact CD1-O 3.36Å; T340-R342 PolarHBondContact O-N 3.25Å; R342-D346 HydrophobicContact CB-CB 4.26Å; R342-V347 HydrophobicContact CB-CG2 3.88Å; R342-D350 IonicContact CZ-OD2 3.49Å; R342-D350 IonicContact NH1-OD2 3.41Å; R342-D350 PolarHBondContact NH1-OD2 2.9Å; R342-D350 IonicContact NH2-OD2 3.57Å |
| 343 | S | 94.7 | Very high | 80.9 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 156.9 | 175 | 74 | 0 | 0 | 0 | 0 | 110.7 | L326 F327 T345 D346 V347 | L326-S343 WeakPolarHBondContact O-CA 3.37Å; F327-S343 WeakPolarHBondContact O-CB 3.47Å; S343-T345 PolarHBondContact O-N 3.37Å; S343-T345 PolarHBondContact OG-N 3.32Å; S343-D346 WeakPolarHBondContact CB-OD2 3.4Å; S343-D346 PolarHBondContact N-OD2 3.1Å; S343-D346 PolarHBondContact O-N 3.38Å; S343-D346 VanDerWaalsContact O-N 3.13Å; S343-D346 PolarHBondContact OG-N 2.9Å; S343-D346 PolarHBondContact OG-OD2 3.28Å; S343-V347 WeakPolarHBondContact O-CG2 3.18Å; S343-V347 PolarHBondContact O-N 2.91Å |
| 344 | I | 96.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -30 | 175.4 | 65.4 | 172.4 | 0 | 0 | 0 | 111.5 | T193 T211 L326 F327 T348 F379 F383 | T193-I344 HydrophobicContact CG2-CB 4.2Å; T193-I344 HydrophobicContact CG2-CG2 3.85Å; T193-I344 WeakPolarHBondContact OG1-CG2 3.2Å; T211-I344 HydrophobicContact CG2-CG2 4.1Å; L326-I344 HydrophobicContact CB-CD1 4.17Å; L326-I344 HydrophobicContact CB-CG1 4.45Å; L326-I344 HydrophobicContact CB-CG2 4.27Å; L326-I344 WeakPolarHBondContact O-CG1 3.35Å; L326-I344 PolarHBondContact O-N 3.28Å; F327-I344 HydrophobicContact CD1-CD1 4.3Å; F327-I344 HydrophobicContact CD1-CG1 4.16Å; F327-I344 HydrophobicContact CE1-CD1 3.71Å; F327-I344 HydrophobicContact CE1-CG1 4.02Å; F327-I344 HydrophobicContact CE2-CD1 4.5Å; F327-I344 HydrophobicContact CZ-CD1 3.81Å; I344-T348 WeakPolarHBondContact O-CB 3.34Å; I344-T348 PolarHBondContact O-N 2.9Å; I344-T348 PolarHBondContact O-OG1 3.01Å; I344-F379 HydrophobicContact CD1-CE2 3.87Å; I344-F379 HydrophobicContact CD1-CZ 3.58Å; I344-F383 HydrophobicContact CD1-CD2 3.71Å; I344-F383 HydrophobicContact CD1-CE2 4.05Å; I344-F383 HydrophobicContact CG1-CD2 3.97Å; I344-F383 HydrophobicContact CG1-CE2 4.01Å |
| 345 | T | 94.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | S343 V347 T348 M349 E386 L387 | S343-T345 PolarHBondContact O-N 3.37Å; S343-T345 PolarHBondContact OG-N 3.32Å; T345-V347 VanDerWaalsContact C-N 3.34Å; T345-V347 PolarHBondContact O-N 2.85Å; T345-T348 WeakPolarHBondContact O-CB 3.36Å; T345-T348 PolarHBondContact O-N 2.92Å; T345-T348 VanDerWaalsContact O-N 3.16Å; T345-M349 WeakPolarHBondContact O-CG 3.34Å; T345-M349 PolarHBondContact O-N 3.38Å; T345-E386 HydrophobicContact CG2-CB 4.02Å; T345-E386 HydrophobicContact CG2-CG 3.75Å; T345-E386 WeakPolarHBondContact OG1-CB 3.26Å; T345-E386 WeakPolarHBondContact OG1-CG 3.38Å; T345-L387 HydrophobicContact CG2-CD2 3.84Å; T345-L387 HydrophobicContact CG2-CG 4.19Å |
| 346 | D | 94.6 | Very high | 85.7 | Confident | 79 Ų | 79 | 50 Ų | 50 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.7 | -61.3 | -39.1 | 0 | 0 | 0 | 111.5 | R342 S343 T348 M349 D350 | R342-D346 HydrophobicContact CB-CB 4.26Å; S343-D346 WeakPolarHBondContact CB-OD2 3.4Å; S343-D346 PolarHBondContact N-OD2 3.1Å; S343-D346 PolarHBondContact O-N 3.38Å; S343-D346 VanDerWaalsContact O-N 3.13Å; S343-D346 PolarHBondContact OG-N 2.9Å; S343-D346 PolarHBondContact OG-OD2 3.28Å; D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.21Å; D346-M349 PolarHBondContact O-N 2.9Å; D346-D350 WeakPolarHBondContact O-CB 3.42Å; D346-D350 PolarHBondContact O-N 2.74Å |
| 347 | V | 96.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V195 N209 T211 R342 S343 T345 T351 | V195-V347 HydrophobicContact CB-CG1 4.23Å; V195-V347 HydrophobicContact CG2-CG1 3.73Å; N209-V347 HydrophobicContact CB-CG1 3.67Å; T211-V347 HydrophobicContact CG2-CG2 3.87Å; R342-V347 HydrophobicContact CB-CG2 3.88Å; S343-V347 WeakPolarHBondContact O-CG2 3.18Å; S343-V347 PolarHBondContact O-N 2.91Å; T345-V347 VanDerWaalsContact C-N 3.34Å; T345-V347 PolarHBondContact O-N 2.85Å; V347-T351 PolarHBondContact O-N 3.16Å; V347-T351 PolarHBondContact O-OG1 3.16Å |
| 348 | T | 96.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | L184 V186 V195 I344 T345 D346 T351 V352 L367 F383 L387 | L184-T348 HydrophobicContact CD2-CG2 3.47Å; L184-T348 VanDerWaalsContact CD2-CG2 3.47Å; V186-T348 HydrophobicContact CG2-CG2 4.18Å; V195-T348 HydrophobicContact CG1-CG2 4.34Å; I344-T348 WeakPolarHBondContact O-CB 3.34Å; I344-T348 PolarHBondContact O-N 2.9Å; I344-T348 PolarHBondContact O-OG1 3.01Å; T345-T348 WeakPolarHBondContact O-CB 3.36Å; T345-T348 PolarHBondContact O-N 2.92Å; T345-T348 VanDerWaalsContact O-N 3.16Å; D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.21Å; T348-T351 WeakPolarHBondContact O-CB 3.5Å; T348-T351 PolarHBondContact O-N 2.8Å; T348-V352 WeakPolarHBondContact O-CG2 3.5Å; T348-V352 PolarHBondContact O-N 3.47Å; T348-L367 HydrophobicContact CG2-CD1 4.26Å; T348-F383 HydrophobicContact CG2-CZ 4.02Å; T348-F383 WeakPolarHBondContact OG1-CZ 3.48Å; T348-L387 HydrophobicContact CG2-CD2 3.84Å |
| 349 | M | 93.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.5 | -36.9 | -179.7 | -67.5 | -52 | -58.8 | 0 | 0 | 112.6 | T345 D346 V352 N353 L387 C391 L394 | T345-M349 WeakPolarHBondContact O-CG 3.34Å; T345-M349 PolarHBondContact O-N 3.38Å; D346-M349 PolarHBondContact O-N 2.9Å; M349-V352 PolarHBondContact O-N 2.63Å; M349-N353 WeakPolarHBondContact O-CB 3.09Å; M349-N353 VanDerWaalsContact O-CG 3.28Å; M349-N353 PolarHBondContact O-N 3.2Å; M349-N353 PolarHBondContact O-ND2 3.19Å; M349-N353 VanDerWaalsContact O-ND2 3.16Å; M349-L387 HydrophobicContact CG-CD2 4.25Å; M349-L387 HydrophobicContact SD-CD2 3.73Å; M349-C391 VanDerWaalsContact CE-SG 3.58Å; M349-L394 HydrophobicContact CE-CD1 3.61Å |
| 350 | D | 94.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 172.5 | -177.4 | 35.1 | 0 | 0 | 0 | 111.2 | N209 R342 D346 V352 N353 R354 | N209-D350 PolarHBondContact ND2-OD2 3.42Å; N209-D350 PolarHBondContact OD1-OD2 3.21Å; R342-D350 IonicContact CZ-OD2 3.49Å; R342-D350 IonicContact NH1-OD2 3.41Å; R342-D350 PolarHBondContact NH1-OD2 2.9Å; R342-D350 IonicContact NH2-OD2 3.57Å; D346-D350 WeakPolarHBondContact O-CB 3.42Å; D346-D350 PolarHBondContact O-N 2.74Å; D350-V352 VanDerWaalsContact C-N 3.34Å; D350-V352 PolarHBondContact O-N 3.21Å; D350-N353 PolarHBondContact O-N 3.37Å; D350-N353 VanDerWaalsContact O-N 3.16Å; D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.23Å; D350-R354 PolarHBondContact O-N 2.8Å; D350-R354 IonicContact OD1-NE 2.85Å; D350-R354 PolarHBondContact OD1-NE 3.09Å; D350-R354 IonicContact OD1-NH2 2.63Å; D350-R354 IonicContact OD2-CZ 2.74Å; D350-R354 VanDerWaalsContact OD2-CZ 3.28Å; D350-R354 IonicContact OD2-NE 2.71Å; D350-R354 PolarHBondContact OD2-NE 2.9Å; D350-R354 IonicContact OD2-NH2 3.21Å; D350-R354 PolarHBondContact OD2-NH2 2.96Å |
| 351 | T | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 174.1 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | L184 V195 S197 T207 N209 V347 T348 N353 R354 S355 | L184-T351 HydrophobicContact CD1-CG2 3.53Å; V195-T351 HydrophobicContact CB-CG2 4.47Å; V195-T351 HydrophobicContact CG1-CG2 3.91Å; V195-T351 PolarHBondContact O-OG1 2.91Å; S197-T351 WeakPolarHBondContact OG-CG2 3.45Å; T207-T351 VanDerWaalsContact O-CG2 3.22Å; T207-T351 WeakPolarHBondContact O-CG2 3.32Å; T207-T351 PolarHBondContact O-OG1 2.88Å; N209-T351 VanDerWaalsContact CB-OG1 3.31Å; N209-T351 WeakPolarHBondContact CB-OG1 3.43Å; N209-T351 WeakPolarHBondContact ND2-CA 3.49Å; N209-T351 PolarHBondContact ND2-N 3.06Å; N209-T351 PolarHBondContact ND2-OG1 3.41Å; V347-T351 PolarHBondContact O-N 3.16Å; V347-T351 PolarHBondContact O-OG1 3.16Å; T348-T351 WeakPolarHBondContact O-CB 3.5Å; T348-T351 PolarHBondContact O-N 2.8Å; T351-N353 VanDerWaalsContact C-N 3.33Å; T351-N353 PolarHBondContact O-N 2.83Å; T351-R354 PolarHBondContact O-N 3.27Å; T351-S355 PolarHBondContact O-N 3.05Å; T351-S355 VanDerWaalsContact O-N 3.17Å |
| 352 | V | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L184 T348 M349 D350 R354 S355 R360 L364 W396 | L184-V352 HydrophobicContact CD1-CG2 4.36Å; L184-V352 HydrophobicContact CD2-CG2 3.53Å; T348-V352 WeakPolarHBondContact O-CG2 3.5Å; T348-V352 PolarHBondContact O-N 3.47Å; M349-V352 PolarHBondContact O-N 2.63Å; D350-V352 VanDerWaalsContact C-N 3.34Å; D350-V352 PolarHBondContact O-N 3.21Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 3.5Å; V352-S355 WeakPolarHBondContact O-CB 3.33Å; V352-S355 PolarHBondContact O-N 3.45Å; V352-S355 VanDerWaalsContact O-N 3.14Å; V352-S355 PolarHBondContact O-OG 2.69Å; V352-R360 HydrophobicContact CG1-CB 3.84Å; V352-R360 HydrophobicContact CG1-CG 3.98Å; V352-R360 WeakPolarHBondContact O-CG 3.48Å; V352-R360 PolarHBondContact O-NE 3.19Å; V352-L364 HydrophobicContact CG1-CD1 4.25Å; V352-L364 HydrophobicContact CG1-CG 4.19Å; V352-L364 HydrophobicContact CG2-CD2 3.9Å; V352-L364 HydrophobicContact CG2-CG 4.29Å; V352-W396 HydrophobicContact CG1-CH2 4.03Å; V352-W396 HydrophobicContact CG1-CZ2 4.27Å |
| 353 | N | 92.7 | Very high | 92.9 | Very high | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.6 | -29.6 | 179.5 | -71.8 | -33.6 | 0 | 0 | 0 | 113.4 | M349 D350 T351 S355 R360 | M349-N353 WeakPolarHBondContact O-CB 3.09Å; M349-N353 VanDerWaalsContact O-CG 3.28Å; M349-N353 PolarHBondContact O-N 3.2Å; M349-N353 PolarHBondContact O-ND2 3.19Å; M349-N353 VanDerWaalsContact O-ND2 3.16Å; D350-N353 PolarHBondContact O-N 3.37Å; D350-N353 VanDerWaalsContact O-N 3.16Å; T351-N353 VanDerWaalsContact C-N 3.33Å; T351-N353 PolarHBondContact O-N 2.83Å; N353-S355 VanDerWaalsContact C-N 3.32Å; N353-R360 PolarHBondContact O-NH2 3.09Å |
| 354 | R | 94.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 39.9 Ų | 39.9 | 39% | 0.389 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75 | -20 | 173.1 | -69.3 | 176.8 | -169.7 | -158.6 | 3.3 | 113.8 | T207 N209 D350 T351 V352 | T207-R354 HydrophobicContact CG2-CB 4.41Å; N209-R354 PolarHBondContact ND2-NE 3Å; N209-R354 PolarHBondContact OD1-NH1 3.39Å; N209-R354 PolarHBondContact OD1-NH2 3.26Å; D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.23Å; D350-R354 PolarHBondContact O-N 2.8Å; D350-R354 IonicContact OD1-NE 2.85Å; D350-R354 PolarHBondContact OD1-NE 3.09Å; D350-R354 IonicContact OD1-NH2 2.63Å; D350-R354 IonicContact OD2-CZ 2.74Å; D350-R354 VanDerWaalsContact OD2-CZ 3.28Å; D350-R354 IonicContact OD2-NE 2.71Å; D350-R354 PolarHBondContact OD2-NE 2.9Å; D350-R354 IonicContact OD2-NH2 3.21Å; D350-R354 PolarHBondContact OD2-NH2 2.96Å; T351-R354 PolarHBondContact O-N 3.27Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 3.5Å |
| 355 | S | 92.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -75.4 | 156 | 172.2 | 76.7 | 0 | 0 | 0 | 0 | 111.2 | T351 V352 N353 R360 L363 | T351-S355 PolarHBondContact O-N 3.05Å; T351-S355 VanDerWaalsContact O-N 3.17Å; V352-S355 WeakPolarHBondContact O-CB 3.33Å; V352-S355 PolarHBondContact O-N 3.45Å; V352-S355 VanDerWaalsContact O-N 3.14Å; V352-S355 PolarHBondContact O-OG 2.69Å; N353-S355 VanDerWaalsContact C-N 3.32Å; S355-R360 PolarHBondContact O-NE 2.87Å; S355-R360 VanDerWaalsContact O-NE 3.16Å; S355-R360 PolarHBondContact O-NH2 3.27Å; S355-R360 WeakPolarHBondContact OG-CG 3.27Å; S355-L363 WeakPolarHBondContact OG-CD1 3.4Å |
| 356 | D | 91.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | trans | -62.7 | 142.8 | -179.1 | -61.4 | -47 | 0 | 0 | 0 | 110.9 | K206 E358 L359 R360 | K206-D356 IonicContact NZ-OD1 2.7Å; K206-D356 PolarHBondContact NZ-OD1 3.41Å; K206-D356 IonicContact NZ-OD2 2.93Å; K206-D356 PolarHBondContact NZ-OD2 2.96Å; D356-E358 PolarHBondContact O-N 2.84Å; D356-E358 VanDerWaalsContact O-N 3.08Å; D356-L359 HydrophobicContact CB-CD1 4.29Å; D356-L359 HydrophobicContact CB-CG 4.42Å; D356-L359 PolarHBondContact O-N 2.97Å; D356-R360 WeakPolarHBondContact O-CG 3.47Å; D356-R360 PolarHBondContact O-N 2.85Å | ||
| 357 | V | 88.7 | Confident | 92.2 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 58% | 0.576 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.5 | -169.5 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 358 | E | 90.1 | Very high | 92.2 | Very high | 174 Ų | 174 | 42.6 Ų | 42.6 | 81% | 0.813 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | -179.3 | -61.9 | 178.2 | -179.2 | 0 | 0 | 113.4 | D356 P361 | D356-E358 PolarHBondContact O-N 2.84Å; D356-E358 VanDerWaalsContact O-N 3.08Å; E358-P361 WeakPolarHBondContact O-CD 3.44Å |
| 359 | L | 91 | Very high | 92.2 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -26.8 | -179.1 | -65.2 | 178.1 | 0 | 0 | 0 | 112.6 | M199 L204 D356 P361 V362 L363 | M199-L359 HydrophobicContact CE-CD2 4.17Å; M199-L359 HydrophobicContact SD-CD1 3.82Å; M199-L359 HydrophobicContact SD-CD2 3.91Å; L204-L359 HydrophobicContact CD1-CD1 3.93Å; D356-L359 HydrophobicContact CB-CD1 4.29Å; D356-L359 HydrophobicContact CB-CG 4.42Å; D356-L359 PolarHBondContact O-N 2.97Å; L359-P361 VanDerWaalsContact C-CD 3.49Å; L359-V362 WeakPolarHBondContact O-CA 3.48Å; L359-V362 WeakPolarHBondContact O-CB 3.49Å; L359-V362 PolarHBondContact O-N 3.44Å; L359-L363 HydrophobicContact CB-CD1 4.06Å; L359-L363 HydrophobicContact CB-CG 4.38Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 3.5Å |
| 360 | R | 90.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.9 | -44.2 | -172.6 | -53.6 | -179.2 | -177.5 | 162.7 | -1.3 | 114 | V352 N353 S355 D356 V362 L363 L364 W396 | V352-R360 HydrophobicContact CG1-CB 3.84Å; V352-R360 HydrophobicContact CG1-CG 3.98Å; V352-R360 WeakPolarHBondContact O-CG 3.48Å; V352-R360 PolarHBondContact O-NE 3.19Å; N353-R360 PolarHBondContact O-NH2 3.09Å; S355-R360 PolarHBondContact O-NE 2.87Å; S355-R360 VanDerWaalsContact O-NE 3.16Å; S355-R360 PolarHBondContact O-NH2 3.27Å; S355-R360 WeakPolarHBondContact OG-CG 3.27Å; D356-R360 WeakPolarHBondContact O-CG 3.47Å; D356-R360 PolarHBondContact O-N 2.85Å; R360-V362 VanDerWaalsContact C-N 3.32Å; R360-V362 PolarHBondContact O-N 3.06Å; R360-L363 PolarHBondContact O-N 2.95Å; R360-L364 WeakPolarHBondContact O-CB 3.48Å; R360-L364 WeakPolarHBondContact O-CG 3.29Å; R360-L364 PolarHBondContact O-N 3.33Å; R360-W396 HydrophobicContact CB-CE3 4.36Å; R360-W396 HydrophobicContact CB-CH2 3.37Å; R360-W396 HydrophobicContact CB-CZ2 4.15Å; R360-W396 HydrophobicContact CB-CZ3 3.49Å; R360-W396 VanDerWaalsContact CB-CZ3 3.49Å; R360-W396 HydrophobicContact CG-CH2 4.23Å |
| 361 | P | 86.2 | Confident | 92.4 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 177 | -20.6 | 34 | 0 | 0 | 0 | 112.7 | E358 L359 K365 W396 | E358-P361 WeakPolarHBondContact O-CD 3.44Å; L359-P361 VanDerWaalsContact C-CD 3.49Å; P361-K365 VanDerWaalsContact O-CB 3.31Å; P361-K365 WeakPolarHBondContact O-CB 3.23Å; P361-K365 PolarHBondContact O-N 2.79Å; P361-W396 HydrophobicContact CG-CZ3 4.3Å |
| 362 | V | 89.6 | Confident | 92.3 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 38% | 0.376 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | T182 L359 R360 K365 H366 | T182-V362 HydrophobicContact CG2-CG1 3.72Å; L359-V362 WeakPolarHBondContact O-CA 3.48Å; L359-V362 WeakPolarHBondContact O-CB 3.49Å; L359-V362 PolarHBondContact O-N 3.44Å; R360-V362 VanDerWaalsContact C-N 3.32Å; R360-V362 PolarHBondContact O-N 3.06Å; V362-K365 WeakPolarHBondContact O-CB 2.88Å; V362-K365 PolarHBondContact O-N 3.22Å; V362-H366 PolarHBondContact O-N 3.2Å |
| 363 | L | 91.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.6 | -67.9 | 172.2 | 0 | 0 | 0 | 112.1 | S183 L184 S355 L359 R360 K365 H366 | S183-L363 WeakPolarHBondContact O-CD2 3.45Å; L184-L363 HydrophobicContact CB-CB 4.36Å; S355-L363 WeakPolarHBondContact OG-CD1 3.4Å; L359-L363 HydrophobicContact CB-CD1 4.06Å; L359-L363 HydrophobicContact CB-CG 4.38Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 3.5Å; R360-L363 PolarHBondContact O-N 2.95Å; L363-K365 VanDerWaalsContact C-N 3.29Å; L363-K365 PolarHBondContact O-N 3.29Å; L363-H366 CarbonylContact O-C 3.27Å; L363-H366 VanDerWaalsContact O-C 3.27Å; L363-H366 PolarHBondContact O-N 2.78Å; L363-H366 VanDerWaalsContact O-O 3.04Å |
| 364 | L | 88.4 | Confident | 92.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -28.5 | 176.9 | -75.3 | 177.6 | 0 | 0 | 0 | 112.8 | V352 R360 H366 W396 Y397 I415 | V352-L364 HydrophobicContact CG1-CD1 4.25Å; V352-L364 HydrophobicContact CG1-CG 4.19Å; V352-L364 HydrophobicContact CG2-CD2 3.9Å; V352-L364 HydrophobicContact CG2-CG 4.29Å; R360-L364 WeakPolarHBondContact O-CB 3.48Å; R360-L364 WeakPolarHBondContact O-CG 3.29Å; R360-L364 PolarHBondContact O-N 3.33Å; L364-H366 VanDerWaalsContact C-N 3.3Å; L364-W396 HydrophobicContact CD1-CH2 3.61Å; L364-W396 HydrophobicContact CD1-CZ3 4.22Å; L364-Y397 HydrophobicContact CD1-CD2 3.97Å; L364-Y397 HydrophobicContact CD1-CE2 3.89Å; L364-I415 WeakPolarHBondContact O-CA 3.49Å; L364-I415 WeakPolarHBondContact O-CG2 3.39Å |
| 365 | K | 87.9 | Confident | 92.7 | Very high | 104 Ų | 104 | 35.9 Ų | 35.9 | 45% | 0.452 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.1 | -34.4 | 173.1 | -174.5 | -176.8 | 171.7 | -169.1 | 0 | 111.5 | P361 V362 L363 T413 K416 | P361-K365 VanDerWaalsContact O-CB 3.31Å; P361-K365 WeakPolarHBondContact O-CB 3.23Å; P361-K365 PolarHBondContact O-N 2.79Å; V362-K365 WeakPolarHBondContact O-CB 2.88Å; V362-K365 PolarHBondContact O-N 3.22Å; L363-K365 VanDerWaalsContact C-N 3.29Å; L363-K365 PolarHBondContact O-N 3.29Å; K365-T413 HydrophobicContact CB-CG2 3.76Å; K365-T413 HydrophobicContact CG-CG2 4.22Å; K365-K416 WeakPolarHBondContact O-CA 3.26Å; K365-K416 WeakPolarHBondContact O-CB 3.38Å; K365-K416 PolarHBondContact O-N 3.47Å |
| 366 | H | 93.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 15% | 0.148 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 87.4 | -175.4 | -63.4 | -93.5 | 0 | 0 | 0 | 110.9 | Q180 S183 L184 V362 L363 L364 H418 | Q180-H366 PolarHBondContact OE1-CE1 3Å; Q180-H366 PolarHBondContact OE1-ND1 2.91Å; S183-H366 CarbonylContact C-O 3.56Å; S183-H366 WeakPolarHBondContact CA-O 3.19Å; S183-H366 WeakPolarHBondContact CB-O 3.1Å; L184-H366 PolarHBondContact N-O 3.02Å; V362-H366 PolarHBondContact O-N 3.2Å; L363-H366 CarbonylContact O-C 3.27Å; L363-H366 VanDerWaalsContact O-C 3.27Å; L363-H366 PolarHBondContact O-N 2.78Å; L363-H366 VanDerWaalsContact O-O 3.04Å; L364-H366 VanDerWaalsContact C-N 3.3Å; H366-H418 AromaticContact CG-NE2 3.79Å; H366-H418 AromaticContact ND1-CE1 3.73Å; H366-H418 AromaticContact ND1-NE2 3.14Å; H366-H418 PolarHBondContact ND1-NE2 3Å; H366-H418 VanDerWaalsContact ND1-NE2 3.14Å |
| 367 | L | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.5 | 177.4 | -168.2 | 148.5 | 0 | 0 | 0 | 110.1 | L184 V186 T348 L369 F383 L387 K416 I417 H418 | L184-L367 HydrophobicContact CD2-CD1 4.06Å; L184-L367 CarbonylContact O-C 3.54Å; L184-L367 WeakPolarHBondContact O-CA 3.38Å; V186-L367 HydrophobicContact CG2-CD1 4.31Å; V186-L367 HydrophobicContact CG2-CD2 4.11Å; V186-L367 HydrophobicContact CG2-CG 4.23Å; T348-L367 HydrophobicContact CG2-CD1 4.26Å; L367-L369 HydrophobicContact CD2-CD2 3.43Å; L367-L369 VanDerWaalsContact CD2-CD2 3.43Å; L367-L369 HydrophobicContact CD2-CG 3.65Å; L367-F383 HydrophobicContact CD1-CE1 3.75Å; L367-F383 HydrophobicContact CD1-CZ 4.3Å; L367-F383 HydrophobicContact CD2-CD1 4.42Å; L367-F383 HydrophobicContact CD2-CE1 3.69Å; L367-F383 HydrophobicContact CG-CE1 4.39Å; L367-L387 HydrophobicContact CD1-CD1 3.64Å; L367-K416 PolarHBondContact N-O 2.86Å; L367-I417 HydrophobicContact CB-CG1 4.45Å; L367-I417 HydrophobicContact CD2-CG1 4.28Å; L367-I417 HydrophobicContact CD2-CG2 4.31Å; L367-I417 CarbonylContact O-C 3.4Å; L367-I417 WeakPolarHBondContact O-CA 3.34Å; L367-H418 PolarHBondContact O-N 2.77Å |
| 368 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V174 H178 Q180 L184 V185 V186 H418 | V174-V368 HydrophobicContact CG1-CG1 3.71Å; H178-V368 HydrophobicContact CB-CG1 4.16Å; H178-V368 HydrophobicContact CB-CG2 4.12Å; H178-V368 WeakPolarHBondContact ND1-CG1 3.42Å; Q180-V368 HydrophobicContact CB-CG2 4.12Å; Q180-V368 HydrophobicContact CG-CG2 4.41Å; L184-V368 PolarHBondContact O-N 2.83Å; V185-V368 HydrophobicContact CG2-CB 4.35Å; V186-V368 PolarHBondContact N-O 3.02Å; V368-H418 WeakPolarHBondContact CA-O 3.34Å; V368-H418 HydrophobicContact CG2-CB 4.24Å |
| 369 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.8 | 173.1 | -68.9 | -176.5 | 0 | 0 | 0 | 109.9 | V186 L367 T374 F379 Q380 F383 I417 H418 H419 | V186-L369 HydrophobicContact CB-CD2 3.81Å; V186-L369 HydrophobicContact CG1-CD2 3.91Å; V186-L369 HydrophobicContact CG2-CD2 4.46Å; L367-L369 HydrophobicContact CD2-CD2 3.43Å; L367-L369 VanDerWaalsContact CD2-CD2 3.43Å; L367-L369 HydrophobicContact CD2-CG 3.65Å; L369-T374 HydrophobicContact CB-CG2 4.21Å; L369-F379 HydrophobicContact CD1-CD1 4.15Å; L369-F379 HydrophobicContact CD1-CE1 4.07Å; L369-F379 HydrophobicContact CD2-CE1 4.27Å; L369-Q380 HydrophobicContact CD1-CB 4.33Å; L369-Q380 HydrophobicContact CD1-CG 4.21Å; L369-F383 HydrophobicContact CD1-CD1 4.27Å; L369-F383 HydrophobicContact CD2-CD1 3.89Å; L369-F383 HydrophobicContact CD2-CE1 3.72Å; L369-F383 HydrophobicContact CD2-CZ 4.46Å; L369-I417 HydrophobicContact CB-CG2 4.36Å; L369-I417 HydrophobicContact CD1-CD1 4.46Å; L369-I417 HydrophobicContact CD1-CG2 3.54Å; L369-I417 HydrophobicContact CG-CG2 3.64Å; L369-H418 PolarHBondContact N-O 2.99Å; L369-H419 HydrophobicContact CB-CB 4.03Å; L369-H419 HydrophobicContact CD1-CB 4.43Å; L369-H419 PolarHBondContact O-CD2 3.18Å |
| 370 | T | 96.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 169.7 | 174.9 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | V174 V186 D187 C188 T374 S426 A429 | V174-T370 HydrophobicContact CG1-CG2 3.71Å; V174-T370 HydrophobicContact CG2-CG2 4.07Å; V186-T370 PolarHBondContact O-N 3.36Å; D187-T370 WeakPolarHBondContact CA-O 3.43Å; D187-T370 HydrophobicContact CB-CG2 3.58Å; C188-T370 PolarHBondContact N-O 2.86Å; T370-T374 WeakPolarHBondContact O-CG2 3.26Å; T370-S426 PolarHBondContact OG1-O 3.27Å; T370-A429 WeakPolarHBondContact OG1-CB 3.4Å |
| 371 | G | 95.4 | Very high | 94 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 96.6 | 157.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D187 C188 C373 T374 S426 | D187-G371 WeakPolarHBondContact OD1-CA 3.25Å; C188-G371 CarbonylContact O-C 3.52Å; C188-G371 WeakPolarHBondContact O-CA 3.41Å; G371-C373 VanDerWaalsContact C-N 3.32Å; G371-C373 PolarHBondContact O-N 2.79Å; G371-T374 WeakPolarHBondContact O-CB 3.46Å; G371-T374 PolarHBondContact O-N 2.75Å; G371-T374 VanDerWaalsContact O-N 3.17Å; G371-T374 PolarHBondContact O-OG1 3.43Å; G371-S426 PolarHBondContact N-O 3.31Å |
| 372 | G | 95 | Very high | 94.3 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 26% | 0.258 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -63.6 | -28.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | C188 T374 L375 | C188-G372 PolarHBondContact O-N 2.74Å; G372-T374 VanDerWaalsContact C-N 3.28Å; G372-T374 PolarHBondContact O-N 3.41Å; G372-L375 WeakPolarHBondContact O-CB 3.49Å; G372-L375 PolarHBondContact O-N 3.3Å |
| 373 | C | 96.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 5% | 0.054 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -73.2 | -21.8 | 179 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | C188 G189 G215 G371 L375 I376 F379 | C188-C373 HydrophobicContact CB-CB 4.01Å; C188-C373 WeakPolarHBondContact O-CB 3.3Å; C188-C373 PolarHBondContact O-N 3.09Å; C188-C373 WeakPolarHBondContact SG-CB 3.45Å; G189-C373 PolarHBondContact O-SG 3.05Å; G215-C373 WeakPolarHBondContact CA-SG 3.38Å; G215-C373 PolarHBondContact N-SG 3.01Å; G371-C373 VanDerWaalsContact C-N 3.32Å; G371-C373 PolarHBondContact O-N 2.79Å; C373-L375 PolarHBondContact O-N 3.36Å; C373-I376 HydrophobicContact CB-CD1 4.5Å; C373-I376 WeakPolarHBondContact O-CB 3.5Å; C373-I376 WeakPolarHBondContact O-CD1 3.44Å; C373-I376 VanDerWaalsContact O-CG1 3.24Å; C373-I376 WeakPolarHBondContact O-CG1 3.41Å; C373-I376 PolarHBondContact O-N 2.89Å; C373-F379 WeakPolarHBondContact O-CD2 3.48Å |
| 374 | T | 96.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -67.7 | -16.5 | 175.8 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | C188 L369 T370 G371 G372 I376 F379 H419 | C188-T374 HydrophobicContact CB-CG2 3.85Å; L369-T374 HydrophobicContact CB-CG2 4.21Å; T370-T374 WeakPolarHBondContact O-CG2 3.26Å; G371-T374 WeakPolarHBondContact O-CB 3.46Å; G371-T374 PolarHBondContact O-N 2.75Å; G371-T374 VanDerWaalsContact O-N 3.17Å; G371-T374 PolarHBondContact O-OG1 3.43Å; G372-T374 VanDerWaalsContact C-N 3.28Å; G372-T374 PolarHBondContact O-N 3.41Å; T374-I376 PolarHBondContact O-N 2.84Å; T374-F379 HydrophobicContact CG2-CD1 4.25Å; T374-F379 HydrophobicContact CG2-CE1 3.82Å; T374-F379 HydrophobicContact CG2-CZ 4.18Å; T374-H419 WeakPolarHBondContact CB-NE2 3.49Å; T374-H419 PolarHBondContact O-CE1 2.82Å; T374-H419 VanDerWaalsContact O-CE1 3.32Å; T374-H419 PolarHBondContact OG1-NE2 3.03Å |
| 375 | L | 96.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -78.4 | -6 | 177.5 | -59.9 | 170.7 | 0 | 0 | 0 | 113.2 | G372 C373 P377 F423 T427 | G372-L375 WeakPolarHBondContact O-CB 3.49Å; G372-L375 PolarHBondContact O-N 3.3Å; C373-L375 PolarHBondContact O-N 3.36Å; L375-P377 WeakPolarHBondContact O-CD 3.43Å; L375-F423 HydrophobicContact CD1-CB 4.11Å; L375-F423 HydrophobicContact CD1-CD2 3.6Å; L375-F423 HydrophobicContact CD1-CE2 4.46Å; L375-F423 HydrophobicContact CD1-CG 4.24Å; L375-T427 HydrophobicContact CD1-CG2 4.25Å |
| 376 | I | 96.6 | Very high | 95 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -61.2 | 123.2 | 173.9 | -64.8 | 168.5 | 0 | 0 | 0 | 108.4 | L218 L282 L284 P323 C373 T374 G378 F379 | L218-I376 HydrophobicContact CD1-CD1 3.72Å; L282-I376 HydrophobicContact CB-CG2 4.37Å; L284-I376 HydrophobicContact CD1-CB 4.45Å; L284-I376 HydrophobicContact CD1-CG2 3.94Å; L284-I376 HydrophobicContact CG-CG2 4.02Å; P323-I376 HydrophobicContact CB-CD1 4.11Å; P323-I376 HydrophobicContact CB-CG2 4.38Å; C373-I376 HydrophobicContact CB-CD1 4.5Å; C373-I376 WeakPolarHBondContact O-CB 3.5Å; C373-I376 WeakPolarHBondContact O-CD1 3.44Å; C373-I376 VanDerWaalsContact O-CG1 3.24Å; C373-I376 WeakPolarHBondContact O-CG1 3.41Å; C373-I376 PolarHBondContact O-N 2.89Å; T374-I376 PolarHBondContact O-N 2.84Å; I376-G378 PolarHBondContact O-N 2.96Å; I376-G378 VanDerWaalsContact O-N 3.13Å; I376-F379 HydrophobicContact CB-CB 4.34Å; I376-F379 WeakPolarHBondContact O-CB 3.06Å; I376-F379 PolarHBondContact O-N 2.82Å |
| 377 | P | 95.5 | Very high | 94.8 | Very high | 58 Ų | 58 | 25.6 Ų | 25.6 | 38% | 0.377 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 122.9 | -179.4 | -27.2 | 34.8 | 0 | 0 | 0 | 111.8 | L282 R283 L284 L375 | L282-P377 WeakPolarHBondContact O-CD 3.28Å; R283-P377 HydrophobicContact CG-CB 4.36Å; R283-P377 HydrophobicContact CG-CG 4.47Å; L284-P377 PolarHBondContact N-O 3.48Å; L375-P377 WeakPolarHBondContact O-CD 3.43Å |
| 378 | G | 94 | Very high | 94.5 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 29% | 0.289 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -5.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | I376 Q380 K381 R382 | I376-G378 PolarHBondContact O-N 2.96Å; I376-G378 VanDerWaalsContact O-N 3.13Å; G378-Q380 PolarHBondContact O-N 3.48Å; G378-K381 PolarHBondContact O-N 2.62Å; G378-R382 WeakPolarHBondContact O-CB 3.36Å; G378-R382 PolarHBondContact O-N 3.23Å |
| 379 | F | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.5 | -55 | -179.9 | -176.1 | -83.3 | 0 | 0 | 0 | 112.6 | C188 L284 L326 F327 I344 L369 C373 T374 I376 K381 R382 F383 | C188-F379 HydrophobicContact CB-CZ 4.21Å; L284-F379 HydrophobicContact CD1-CB 3.98Å; L284-F379 HydrophobicContact CD1-CD2 3.79Å; L284-F379 HydrophobicContact CD1-CG 4.29Å; L326-F379 HydrophobicContact CD1-CD2 4.38Å; L326-F379 HydrophobicContact CD1-CE2 3.82Å; F327-F379 HydrophobicContact CZ-CD2 4.41Å; F327-F379 HydrophobicContact CZ-CE2 4.3Å; I344-F379 HydrophobicContact CD1-CE2 3.87Å; I344-F379 HydrophobicContact CD1-CZ 3.58Å; L369-F379 HydrophobicContact CD1-CD1 4.15Å; L369-F379 HydrophobicContact CD1-CE1 4.07Å; L369-F379 HydrophobicContact CD2-CE1 4.27Å; C373-F379 WeakPolarHBondContact O-CD2 3.48Å; T374-F379 HydrophobicContact CG2-CD1 4.25Å; T374-F379 HydrophobicContact CG2-CE1 3.82Å; T374-F379 HydrophobicContact CG2-CZ 4.18Å; I376-F379 HydrophobicContact CB-CB 4.34Å; I376-F379 WeakPolarHBondContact O-CB 3.06Å; I376-F379 PolarHBondContact O-N 2.82Å; F379-K381 PolarHBondContact O-N 3.27Å; F379-R382 PolarHBondContact O-N 3.41Å; F379-F383 HydrophobicContact CD1-CB 4.5Å; F379-F383 HydrophobicContact CE1-CB 4.29Å; F379-F383 HydrophobicContact CE1-CG 4.48Å; F379-F383 WeakPolarHBondContact O-CB 3.04Å; F379-F383 PolarHBondContact O-N 3.29Å |
| 380 | Q | 94.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 33 Ų | 33 | 34% | 0.341 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.3 | -47.6 | -178.4 | -174.8 | -173.6 | 23.2 | 0 | 0 | 112.3 | L369 G378 R382 F383 L384 I417 | L369-Q380 HydrophobicContact CD1-CB 4.33Å; L369-Q380 HydrophobicContact CD1-CG 4.21Å; G378-Q380 PolarHBondContact O-N 3.48Å; Q380-R382 PolarHBondContact O-N 3.15Å; Q380-F383 PolarHBondContact O-N 3.03Å; Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.19Å; Q380-I417 HydrophobicContact CG-CB 4.31Å; Q380-I417 HydrophobicContact CG-CD1 3.98Å; Q380-I417 HydrophobicContact CG-CG2 3.94Å |
| 381 | K | 93.9 | Very high | 92.7 | Very high | 128 Ų | 128 | 32.8 Ų | 32.8 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64.2 | -42.4 | -179.8 | -66 | -173.9 | 178.1 | -173.7 | 0 | 111.5 | E286 G378 F379 H385 | E286-K381 HydrophobicContact CB-CB 4.13Å; E286-K381 HydrophobicContact CG-CB 4.04Å; G378-K381 PolarHBondContact O-N 2.62Å; F379-K381 PolarHBondContact O-N 3.27Å; K381-H385 WeakPolarHBondContact O-CB 3.49Å; K381-H385 PolarHBondContact O-N 3Å |
| 382 | R | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 178 | 177 | 50.6 | -170.7 | -72.7 | -1.3 | 112.1 | L284 L285 E286 E324 F327 G378 F379 Q380 L384 H385 E386 | L284-R382 HydrophobicContact CB-CB 4.26Å; L284-R382 HydrophobicContact CD2-CG 4.42Å; L285-R382 WeakPolarHBondContact O-CB 3.19Å; L285-R382 WeakPolarHBondContact O-CD 3.37Å; E286-R382 WeakPolarHBondContact O-CD 3.42Å; E324-R382 IonicContact OE1-CZ 3.49Å; E324-R382 IonicContact OE1-NH1 2.98Å; E324-R382 PolarHBondContact OE1-NH1 2.95Å; E324-R382 IonicContact OE1-NH2 3.54Å; E324-R382 PolarHBondContact OE1-NH2 3.46Å; E324-R382 IonicContact OE2-CZ 3.99Å; E324-R382 IonicContact OE2-NH1 3.67Å; E324-R382 PolarHBondContact OE2-NH1 2.83Å; E324-R382 IonicContact OE2-NH2 2.91Å; F327-R382 VanDerWaalsContact CB-NH2 3.31Å; F327-R382 HydrophobicContact CD1-CG 4.2Å; F327-R382 HydrophobicContact CD2-CG 3.91Å; F327-R382 HydrophobicContact CE1-CG 3.89Å; F327-R382 HydrophobicContact CE2-CB 4.4Å; F327-R382 HydrophobicContact CE2-CG 3.62Å; F327-R382 HydrophobicContact CG-CG 4.2Å; F327-R382 HydrophobicContact CZ-CB 4.14Å; F327-R382 HydrophobicContact CZ-CG 3.6Å; G378-R382 WeakPolarHBondContact O-CB 3.36Å; G378-R382 PolarHBondContact O-N 3.23Å; F379-R382 PolarHBondContact O-N 3.41Å; Q380-R382 PolarHBondContact O-N 3.15Å; R382-L384 VanDerWaalsContact C-N 3.34Å; R382-L384 PolarHBondContact O-N 3.46Å; R382-H385 PolarHBondContact O-N 2.71Å; R382-E386 IonicContact CZ-OE2 3.95Å; R382-E386 IonicContact NE-OE2 3.19Å; R382-E386 PolarHBondContact NE-OE2 3.23Å; R382-E386 IonicContact NH2-OE2 2.77Å; R382-E386 PolarHBondContact O-N 3.06Å |
| 383 | F | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 178.3 | -177 | -108 | 0 | 0 | 0 | 111.9 | V186 F327 I344 T348 L367 L369 F379 Q380 E386 L387 I417 | V186-F383 HydrophobicContact CG1-CZ 4.15Å; V186-F383 HydrophobicContact CG2-CE1 4.45Å; V186-F383 HydrophobicContact CG2-CZ 4.08Å; F327-F383 HydrophobicContact CE1-CB 3.86Å; F327-F383 AromaticContact CE1-CD2 3.89Å; F327-F383 HydrophobicContact CE1-CD2 3.89Å; F327-F383 HydrophobicContact CE1-CG 4.38Å; F327-F383 HydrophobicContact CZ-CB 4.13Å; I344-F383 HydrophobicContact CD1-CD2 3.71Å; I344-F383 HydrophobicContact CD1-CE2 4.05Å; I344-F383 HydrophobicContact CG1-CD2 3.97Å; I344-F383 HydrophobicContact CG1-CE2 4.01Å; T348-F383 HydrophobicContact CG2-CZ 4.02Å; T348-F383 WeakPolarHBondContact OG1-CZ 3.48Å; L367-F383 HydrophobicContact CD1-CE1 3.75Å; L367-F383 HydrophobicContact CD1-CZ 4.3Å; L367-F383 HydrophobicContact CD2-CD1 4.42Å; L367-F383 HydrophobicContact CD2-CE1 3.69Å; L367-F383 HydrophobicContact CG-CE1 4.39Å; L369-F383 HydrophobicContact CD1-CD1 4.27Å; L369-F383 HydrophobicContact CD2-CD1 3.89Å; L369-F383 HydrophobicContact CD2-CE1 3.72Å; L369-F383 HydrophobicContact CD2-CZ 4.46Å; F379-F383 HydrophobicContact CD1-CB 4.5Å; F379-F383 HydrophobicContact CE1-CB 4.29Å; F379-F383 HydrophobicContact CE1-CG 4.48Å; F379-F383 WeakPolarHBondContact O-CB 3.04Å; F379-F383 PolarHBondContact O-N 3.29Å; Q380-F383 PolarHBondContact O-N 3.03Å; F383-E386 PolarHBondContact O-N 3.09Å; F383-L387 HydrophobicContact CD1-CD1 3.69Å; F383-L387 HydrophobicContact CD1-CG 4.46Å; F383-L387 HydrophobicContact CE1-CD1 3.27Å; F383-L387 HydrophobicContact CE1-CG 4.16Å; F383-L387 HydrophobicContact CE2-CD1 4.33Å; F383-L387 HydrophobicContact CE2-CG 4.4Å; F383-L387 HydrophobicContact CG-CD1 4.4Å; F383-L387 HydrophobicContact CZ-CD1 3.64Å; F383-L387 HydrophobicContact CZ-CD2 4.41Å; F383-L387 HydrophobicContact CZ-CG 4.14Å; F383-L387 WeakPolarHBondContact O-CB 3.49Å; F383-L387 WeakPolarHBondContact O-CG 3.48Å; F383-L387 PolarHBondContact O-N 3.43Å; F383-I417 HydrophobicContact CD1-CD1 4.33Å |
| 384 | L | 92.4 | Very high | 89.2 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 172.7 | -176.8 | 60.6 | 0 | 0 | 0 | 112.2 | Q380 R382 E386 L387 V388 I415 I417 | Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.19Å; R382-L384 VanDerWaalsContact C-N 3.34Å; R382-L384 PolarHBondContact O-N 3.46Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.32Å; L384-L387 PolarHBondContact O-N 2.82Å; L384-V388 HydrophobicContact CD1-CG2 4.07Å; L384-V388 HydrophobicContact CG-CG2 4.4Å; L384-V388 WeakPolarHBondContact O-CB 3.34Å; L384-V388 VanDerWaalsContact O-CG2 3.3Å; L384-V388 WeakPolarHBondContact O-CG2 3.5Å; L384-V388 PolarHBondContact O-N 3.23Å; L384-I415 HydrophobicContact CD1-CB 4.03Å; L384-I415 HydrophobicContact CD1-CG2 3.83Å; L384-I417 HydrophobicContact CB-CD1 3.81Å; L384-I417 HydrophobicContact CD1-CD1 4.06Å; L384-I417 HydrophobicContact CG-CD1 4.39Å |
| 385 | H | 90.8 | Very high | 87.4 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 177.8 | 176 | -70.9 | 0 | 0 | 0 | 111.6 | E286 K381 R382 T389 | E286-H385 HydrophobicContact CG-CB 4.42Å; E286-H385 WeakPolarHBondContact O-CB 3.2Å; K381-H385 WeakPolarHBondContact O-CB 3.49Å; K381-H385 PolarHBondContact O-N 3Å; R382-H385 PolarHBondContact O-N 2.71Å; H385-T389 WeakPolarHBondContact O-CB 3.47Å; H385-T389 PolarHBondContact O-N 3.42Å; H385-T389 PolarHBondContact O-OG1 3.42Å |
| 386 | E | 91.6 | Very high | 85.8 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 179.3 | -154.7 | 71.2 | -144.6 | 0 | 0 | 111.3 | F327 T345 R382 F383 L384 V388 T389 S390 | F327-E386 HydrophobicContact CD1-CB 4.3Å; F327-E386 HydrophobicContact CD1-CG 4.44Å; T345-E386 HydrophobicContact CG2-CB 4.02Å; T345-E386 HydrophobicContact CG2-CG 3.75Å; T345-E386 WeakPolarHBondContact OG1-CB 3.26Å; T345-E386 WeakPolarHBondContact OG1-CG 3.38Å; R382-E386 IonicContact CZ-OE2 3.95Å; R382-E386 IonicContact NE-OE2 3.19Å; R382-E386 PolarHBondContact NE-OE2 3.23Å; R382-E386 IonicContact NH2-OE2 2.77Å; R382-E386 PolarHBondContact O-N 3.06Å; F383-E386 PolarHBondContact O-N 3.09Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.32Å; E386-V388 PolarHBondContact O-N 3.33Å; E386-T389 WeakPolarHBondContact O-CB 3.49Å; E386-T389 PolarHBondContact O-N 3.37Å; E386-S390 WeakPolarHBondContact O-CB 3.36Å; E386-S390 PolarHBondContact O-N 3.43Å; E386-S390 PolarHBondContact O-OG 3.24Å |
| 387 | L | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 177.1 | -79 | 174.3 | 0 | 0 | 0 | 112.9 | T345 T348 M349 L367 F383 L384 T389 S390 C391 I415 | T345-L387 HydrophobicContact CG2-CD2 3.84Å; T345-L387 HydrophobicContact CG2-CG 4.19Å; T348-L387 HydrophobicContact CG2-CD2 3.84Å; M349-L387 HydrophobicContact CG-CD2 4.25Å; M349-L387 HydrophobicContact SD-CD2 3.73Å; L367-L387 HydrophobicContact CD1-CD1 3.64Å; F383-L387 HydrophobicContact CD1-CD1 3.69Å; F383-L387 HydrophobicContact CD1-CG 4.46Å; F383-L387 HydrophobicContact CE1-CD1 3.27Å; F383-L387 HydrophobicContact CE1-CG 4.16Å; F383-L387 HydrophobicContact CE2-CD1 4.33Å; F383-L387 HydrophobicContact CE2-CG 4.4Å; F383-L387 HydrophobicContact CG-CD1 4.4Å; F383-L387 HydrophobicContact CZ-CD1 3.64Å; F383-L387 HydrophobicContact CZ-CD2 4.41Å; F383-L387 HydrophobicContact CZ-CG 4.14Å; F383-L387 WeakPolarHBondContact O-CB 3.49Å; F383-L387 WeakPolarHBondContact O-CG 3.48Å; F383-L387 PolarHBondContact O-N 3.43Å; L384-L387 PolarHBondContact O-N 2.82Å; L387-T389 VanDerWaalsContact C-N 3.3Å; L387-T389 PolarHBondContact O-N 3.16Å; L387-S390 CarbonylContact O-C 3.38Å; L387-S390 PolarHBondContact O-N 2.86Å; L387-C391 WeakPolarHBondContact O-CB 3.45Å; L387-C391 PolarHBondContact O-N 2.98Å; L387-C391 PolarHBondContact O-SG 3.18Å; L387-I415 HydrophobicContact CB-CD1 4.43Å |
| 388 | V | 87.5 | Confident | 81.7 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L384 E386 C391 A392 I415 | L384-V388 HydrophobicContact CD1-CG2 4.07Å; L384-V388 HydrophobicContact CG-CG2 4.4Å; L384-V388 WeakPolarHBondContact O-CB 3.34Å; L384-V388 VanDerWaalsContact O-CG2 3.3Å; L384-V388 WeakPolarHBondContact O-CG2 3.5Å; L384-V388 PolarHBondContact O-N 3.23Å; E386-V388 PolarHBondContact O-N 3.33Å; V388-C391 PolarHBondContact O-N 2.73Å; V388-A392 PolarHBondContact O-N 2.95Å; V388-I415 HydrophobicContact CG2-CD1 4.27Å |
| 389 | T | 86.9 | Confident | 79.3 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.1 | H385 E386 L387 C391 A392 | H385-T389 WeakPolarHBondContact O-CB 3.47Å; H385-T389 PolarHBondContact O-N 3.42Å; H385-T389 PolarHBondContact O-OG1 3.42Å; E386-T389 WeakPolarHBondContact O-CB 3.49Å; E386-T389 PolarHBondContact O-N 3.37Å; L387-T389 VanDerWaalsContact C-N 3.3Å; L387-T389 PolarHBondContact O-N 3.16Å; T389-C391 VanDerWaalsContact C-N 3.32Å; T389-C391 PolarHBondContact O-N 3.22Å; T389-A392 WeakPolarHBondContact O-CB 3.36Å; T389-A392 PolarHBondContact O-N 3.47Å |
| 390 | S | 85.6 | Confident | 77 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.6 | -24.4 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | E386 L387 H393 | E386-S390 WeakPolarHBondContact O-CB 3.36Å; E386-S390 PolarHBondContact O-N 3.43Å; E386-S390 PolarHBondContact O-OG 3.24Å; L387-S390 CarbonylContact O-C 3.38Å; L387-S390 PolarHBondContact O-N 2.86Å; S390-H393 PolarHBondContact O-CE1 3.42Å; S390-H393 PolarHBondContact O-ND1 2.91Å |
| 391 | C | 81.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.8 | -18.4 | 175.9 | -65.5 | 0 | 0 | 0 | 0 | 113.4 | M349 L387 V388 T389 H393 L394 Y397 | M349-C391 VanDerWaalsContact CE-SG 3.58Å; L387-C391 WeakPolarHBondContact O-CB 3.45Å; L387-C391 PolarHBondContact O-N 2.98Å; L387-C391 PolarHBondContact O-SG 3.18Å; V388-C391 PolarHBondContact O-N 2.73Å; T389-C391 VanDerWaalsContact C-N 3.32Å; T389-C391 PolarHBondContact O-N 3.22Å; C391-H393 PolarHBondContact O-N 3.32Å; C391-L394 HydrophobicContact CB-CD1 4.4Å; C391-L394 WeakPolarHBondContact O-CB 3.31Å; C391-L394 PolarHBondContact O-N 3.12Å; C391-Y397 HydrophobicContact CB-CD2 3.91Å; C391-Y397 HydrophobicContact CB-CE2 4.08Å; C391-Y397 HydrophobicContact CB-CG 4.33Å |
| 392 | A | 75.5 | Confident | 71.7 | Confident | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V388 T389 | V388-A392 PolarHBondContact O-N 2.95Å; T389-A392 WeakPolarHBondContact O-CB 3.36Å; T389-A392 PolarHBondContact O-N 3.47Å |
| 393 | H | 69.8 | Low | 68.7 | Low | 146 Ų | 146 | 70.3 Ų | 70.3 | 68% | 0.676 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -3.7 | 179.2 | 67.3 | -86.6 | 0 | 0 | 0 | 113.8 | S390 C391 Q395 | S390-H393 PolarHBondContact O-CE1 3.42Å; S390-H393 PolarHBondContact O-ND1 2.91Å; C391-H393 PolarHBondContact O-N 3.32Å; H393-Q395 PolarHBondContact O-N 3.3Å |
| 394 | L | 67.5 | Low | 65.9 | Low | 33 Ų | 33 | 76.2 Ų | 76.2 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | trans | -82.1 | 115.5 | -175.2 | -65.6 | 176.7 | 0 | 0 | 0 | 110.7 | M349 C391 W396 Y397 | M349-L394 HydrophobicContact CE-CD1 3.61Å; C391-L394 HydrophobicContact CB-CD1 4.4Å; C391-L394 WeakPolarHBondContact O-CB 3.31Å; C391-L394 PolarHBondContact O-N 3.12Å; L394-W396 HydrophobicContact CD1-CZ2 3.93Å; L394-W396 PolarHBondContact O-N 3.22Å; L394-Y397 WeakPolarHBondContact O-CB 3.37Å; L394-Y397 PolarHBondContact O-N 3.47Å | ||
| 395 | Q | 58.3 | Low | 63.1 | Low | 200 Ų | 200 | 78 Ų | 78 | 94% | 0.935 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.4 | -176.6 | -167.4 | 156.6 | -0.8 | 0 | 0 | 114.5 | H393 | H393-Q395 PolarHBondContact O-N 3.3Š|
| 396 | W | 63.4 | Low | 60.8 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 29% | 0.288 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -11.2 | 176.1 | 66.2 | -94.7 | 0 | 0 | 0 | 113.3 | V352 R360 P361 L364 L394 | V352-W396 HydrophobicContact CG1-CH2 4.03Å; V352-W396 HydrophobicContact CG1-CZ2 4.27Å; R360-W396 HydrophobicContact CB-CE3 4.36Å; R360-W396 HydrophobicContact CB-CH2 3.37Å; R360-W396 HydrophobicContact CB-CZ2 4.15Å; R360-W396 HydrophobicContact CB-CZ3 3.49Å; R360-W396 VanDerWaalsContact CB-CZ3 3.49Å; R360-W396 HydrophobicContact CG-CH2 4.23Å; P361-W396 HydrophobicContact CG-CZ3 4.3Å; L364-W396 HydrophobicContact CD1-CH2 3.61Å; L364-W396 HydrophobicContact CD1-CZ3 4.22Å; L394-W396 HydrophobicContact CD1-CZ2 3.93Å; L394-W396 PolarHBondContact O-N 3.22Å |
| 397 | Y | 58.2 | Low | 58 | Low | 21 Ų | 21 | 88.5 Ų | 88.5 | 8% | 0.082 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -77.4 | 121.8 | 171.2 | -163.6 | -75.6 | 0 | 0 | 0 | 107 | L364 C391 L394 D399 I400 T413 | L364-Y397 HydrophobicContact CD1-CD2 3.97Å; L364-Y397 HydrophobicContact CD1-CE2 3.89Å; C391-Y397 HydrophobicContact CB-CD2 3.91Å; C391-Y397 HydrophobicContact CB-CE2 4.08Å; C391-Y397 HydrophobicContact CB-CG 4.33Å; L394-Y397 WeakPolarHBondContact O-CB 3.37Å; L394-Y397 PolarHBondContact O-N 3.47Å; Y397-D399 PolarHBondContact O-N 3.45Å; Y397-I400 HydrophobicContact CD1-CD1 3.17Å; Y397-I400 HydrophobicContact CD1-CG1 3.43Å; Y397-I400 VanDerWaalsContact CD1-CG1 3.43Å; Y397-I400 HydrophobicContact CE1-CD1 3.21Å; Y397-I400 HydrophobicContact CE1-CG1 3.38Å; Y397-I400 HydrophobicContact CG-CD1 4Å; Y397-T413 PolarHBondContact OH-O 3.44Å |
| 398 | P | 47 | Very low | 55.6 | Low | 55 Ų | 55 | 93.9 Ų | 93.9 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | trans | -57.6 | 134.1 | -170.3 | 22 | -32.1 | 0 | 0 | 0 | 110.7 | I400 | P398-I400 PolarHBondContact O-N 3.03Š| ||
| 399 | D | 44.4 | Very low | 53.1 | Low | 147 Ų | 147 | 95 Ų | 95 | 79% | 0.786 | 54% | 0.544 | S | S | * | . | trans | -15.5 | 84.2 | -176.7 | -71.2 | -38 | 0 | 0 | 0 | 114.8 | Y397 T401 | Y397-D399 PolarHBondContact O-N 3.45Å; D399-T401 PolarHBondContact O-N 3.28Å | ||
| 400 | I | 49 | Very low | 50.9 | Low | 52 Ų | 52 | 95.1 Ų | 95.1 | 27% | 0.267 | 55% | 0.548 | S | S | . | . | trans | -71.7 | 82.5 | 164.2 | -66.5 | 160.6 | 0 | 0 | 0 | 106.4 | Y397 P398 I402 | Y397-I400 HydrophobicContact CD1-CD1 3.17Å; Y397-I400 HydrophobicContact CD1-CG1 3.43Å; Y397-I400 VanDerWaalsContact CD1-CG1 3.43Å; Y397-I400 HydrophobicContact CE1-CD1 3.21Å; Y397-I400 HydrophobicContact CE1-CG1 3.38Å; Y397-I400 HydrophobicContact CG-CD1 4Å; P398-I400 PolarHBondContact O-N 3.03Å; I400-I402 HydrophobicContact CG2-CG1 3.71Å | ||
| 401 | T | 35.4 | Very low | 48.7 | Very low | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | trans | -82.3 | 108.3 | 149.1 | 30.7 | 0 | 0 | 0 | 0 | 106.4 | D399 K403 | D399-T401 PolarHBondContact O-N 3.28Å; T401-K403 PolarHBondContact O-N 3Å | ||
| 402 | I | 40.3 | Very low | 47.1 | Very low | 142 Ų | 142 | 106 Ų | 106 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | trans | -66.3 | 73.1 | 161.6 | -51.9 | 174.8 | 0 | 0 | 0 | 106.5 | I400 | I400-I402 HydrophobicContact CG2-CG1 3.71Š| ||
| 403 | K | 32.3 | Very low | 45.9 | Very low | 154 Ų | 154 | 104.4 Ų | 104.4 | 67% | 0.67 | 58% | 0.579 | S | S | * | * | trans | -91.5 | 115 | 161.3 | -79 | -174 | 179.7 | 179.9 | 0 | 106.2 | T401 T405 | T401-K403 PolarHBondContact O-N 3Å; K403-T405 VanDerWaalsContact C-N 3.25Å; K403-T405 HydrophobicContact CB-CG2 4.49Å; K403-T405 PolarHBondContact O-N 3.49Å | ||
| 404 | P | 37.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 81% | 0.805 | 58% | 0.581 | S | S | * | * | trans | -72.7 | 91.5 | 168.6 | 29.9 | -27.9 | 0 | 0 | 0 | 106.1 | ||||
| 405 | T | 33.3 | Very low | 46.9 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | trans | -136.3 | 108.5 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | K403 N407 | K403-T405 VanDerWaalsContact C-N 3.25Å; K403-T405 HydrophobicContact CB-CG2 4.49Å; K403-T405 PolarHBondContact O-N 3.49Å; T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 3.43Å | ||
| 406 | D | 42.7 | Very low | 48.3 | Very low | 154 Ų | 154 | 102.1 Ų | 102.1 | 82% | 0.824 | 56% | 0.558 | S | S | * | * | trans | -48.5 | 99.6 | 151.3 | -36.1 | -40.1 | 0 | 0 | 0 | 106 | ||||
| 407 | N | 32.3 | Very low | 49.7 | Very low | 151 Ų | 151 | 99.5 Ų | 99.5 | 81% | 0.807 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 173.7 | 130.2 | 158.9 | -82.3 | -24.3 | 0 | 0 | 0 | 109.2 | T405 G409 | T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 3.43Å; N407-G409 PolarHBondContact O-N 3.1Å |
| 408 | A | 39.8 | Very low | 51.4 | Low | 113 Ų | 113 | 99.6 Ų | 99.6 | 93% | 0.934 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -55.6 | 129.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 409 | G | 34.6 | Very low | 53.6 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | trans | 154.1 | -15.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | N407 F411 | N407-G409 PolarHBondContact O-N 3.1Å; G409-F411 PolarHBondContact O-N 2.86Å | ||
| 410 | S | 41.5 | Very low | 55.8 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | trans | -81.6 | 110 | 176.1 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | L412 | S410-L412 PolarHBondContact O-N 2.74Å; S410-L412 WeakPolarHBondContact OG-CG 3.38Å | ||
| 411 | F | 39.4 | Very low | 57.6 | Low | 196 Ų | 196 | 96.7 Ų | 96.7 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | trans | -70.7 | 52.6 | 173.6 | -169.6 | -99.4 | 0 | 0 | 0 | 110.5 | G409 T413 | G409-F411 PolarHBondContact O-N 2.86Å; F411-T413 PolarHBondContact O-N 2.6Å | ||
| 412 | L | 46.8 | Very low | 60.3 | Low | 60 Ų | 60 | 95.1 Ų | 95.1 | 31% | 0.314 | 53% | 0.529 | S | S | . | . | trans | -66.1 | 122.7 | 171.6 | -62.8 | 168.7 | 0 | 0 | 0 | 106.6 | S410 R414 | S410-L412 PolarHBondContact O-N 2.74Å; S410-L412 WeakPolarHBondContact OG-CG 3.38Å; L412-R414 HydrophobicContact CB-CG 3.95Å; L412-R414 PolarHBondContact O-N 2.93Å | ||
| 413 | T | 51.3 | Low | 62.6 | Low | 28 Ų | 28 | 94 Ų | 94 | 17% | 0.172 | 52% | 0.519 | C | S | . | . | trans | -62.1 | 83.6 | 155.5 | -41.9 | 0 | 0 | 0 | 0 | 106.2 | K365 Y397 F411 I415 | K365-T413 HydrophobicContact CB-CG2 3.76Å; K365-T413 HydrophobicContact CG-CG2 4.22Å; Y397-T413 PolarHBondContact OH-O 3.44Å; F411-T413 PolarHBondContact O-N 2.6Å; T413-I415 PolarHBondContact O-N 2.98Å | ||
| 414 | R | 72.6 | Confident | 65.4 | Low | 193 Ų | 193 | 89.3 Ų | 89.3 | 73% | 0.728 | 50% | 0.501 | S | S | * | . | trans | -67.3 | 116.1 | 174 | -68.6 | -176.6 | 179.3 | 179 | -1.1 | 105.3 | L412 K416 | L412-R414 HydrophobicContact CB-CG 3.95Å; L412-R414 PolarHBondContact O-N 2.93Å; R414-K416 PolarHBondContact O-N 3.28Å | ||
| 415 | I | 84.6 | Confident | 68 | Low | 18 Ų | 18 | 85.9 Ų | 85.9 | 9% | 0.092 | 47% | 0.474 | C | S | . | . | trans | -51.1 | 115.8 | 169.5 | -65.6 | 168 | 0 | 0 | 0 | 107.1 | L364 L384 L387 V388 T413 I417 | L364-I415 WeakPolarHBondContact O-CA 3.49Å; L364-I415 WeakPolarHBondContact O-CG2 3.39Å; L384-I415 HydrophobicContact CD1-CB 4.03Å; L384-I415 HydrophobicContact CD1-CG2 3.83Å; L387-I415 HydrophobicContact CB-CD1 4.43Å; V388-I415 HydrophobicContact CG2-CD1 4.27Å; T413-I415 PolarHBondContact O-N 2.98Å; I415-I417 HydrophobicContact CG2-CG1 4.17Å | ||
| 416 | K | 88.1 | Confident | 70.9 | Confident | 121 Ų | 121 | 81.3 Ų | 81.3 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.9 | 173.5 | -174.2 | -178 | 174.1 | -175.5 | 0 | 107.5 | K365 L367 R414 | K365-K416 WeakPolarHBondContact O-CA 3.26Å; K365-K416 WeakPolarHBondContact O-CB 3.38Å; K365-K416 PolarHBondContact O-N 3.47Å; L367-K416 PolarHBondContact N-O 2.86Å; R414-K416 PolarHBondContact O-N 3.28Å |
| 417 | I | 92.3 | Very high | 73.3 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.5 | 173.3 | -61.1 | 179.2 | 0 | 0 | 0 | 108.6 | L367 L369 Q380 F383 L384 I415 H419 | L367-I417 HydrophobicContact CB-CG1 4.45Å; L367-I417 HydrophobicContact CD2-CG1 4.28Å; L367-I417 HydrophobicContact CD2-CG2 4.31Å; L367-I417 CarbonylContact O-C 3.4Å; L367-I417 WeakPolarHBondContact O-CA 3.34Å; L369-I417 HydrophobicContact CB-CG2 4.36Å; L369-I417 HydrophobicContact CD1-CD1 4.46Å; L369-I417 HydrophobicContact CD1-CG2 3.54Å; L369-I417 HydrophobicContact CG-CG2 3.64Å; Q380-I417 HydrophobicContact CG-CB 4.31Å; Q380-I417 HydrophobicContact CG-CD1 3.98Å; Q380-I417 HydrophobicContact CG-CG2 3.94Å; F383-I417 HydrophobicContact CD1-CD1 4.33Å; L384-I417 HydrophobicContact CB-CD1 3.81Å; L384-I417 HydrophobicContact CD1-CD1 4.06Å; L384-I417 HydrophobicContact CG-CD1 4.39Å; I415-I417 HydrophobicContact CG2-CG1 4.17Å; I417-H419 HydrophobicContact CG2-CB 3.96Å |
| 418 | H | 94.5 | Very high | 76.3 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 10% | 0.102 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 105.4 | 168.8 | -53.3 | -92.8 | 0 | 0 | 0 | 107.3 | Q180 H366 L367 V368 L369 | Q180-H418 PolarHBondContact NE2-CE1 3.33Å; H366-H418 AromaticContact CG-NE2 3.79Å; H366-H418 AromaticContact ND1-CE1 3.73Å; H366-H418 AromaticContact ND1-NE2 3.14Å; H366-H418 PolarHBondContact ND1-NE2 3Å; H366-H418 VanDerWaalsContact ND1-NE2 3.14Å; L367-H418 PolarHBondContact O-N 2.77Å; V368-H418 WeakPolarHBondContact CA-O 3.34Å; V368-H418 HydrophobicContact CG2-CB 4.24Å; L369-H418 PolarHBondContact N-O 2.99Å |
| 419 | H | 93.3 | Very high | 79 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | trans | -143.9 | 124.5 | -179.8 | -178.4 | -135.3 | 0 | 0 | 0 | 108 | L369 T374 I417 P421 S426 | L369-H419 HydrophobicContact CB-CB 4.03Å; L369-H419 HydrophobicContact CD1-CB 4.43Å; L369-H419 PolarHBondContact O-CD2 3.18Å; T374-H419 WeakPolarHBondContact CB-NE2 3.49Å; T374-H419 PolarHBondContact O-CE1 2.82Å; T374-H419 VanDerWaalsContact O-CE1 3.32Å; T374-H419 PolarHBondContact OG1-NE2 3.03Å; I417-H419 HydrophobicContact CG2-CB 3.96Å; H419-P421 WeakPolarHBondContact O-CD 3.36Å; H419-S426 PolarHBondContact NE2-OG 2.96Å | ||
| 420 | I | 90.4 | Very high | 82 | Confident | 67 Ų | 67 | 59 Ų | 59 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | trans | -102.7 | 102.5 | 172.6 | -54.9 | 172.2 | 0 | 0 | 0 | 106.8 | S422 E425 S426 | I420-S422 PolarHBondContact O-N 3.42Å; I420-E425 HydrophobicContact CB-CB 3.9Å; I420-E425 HydrophobicContact CB-CG 4.34Å; I420-E425 WeakPolarHBondContact CD1-OE2 3.5Å; I420-E425 HydrophobicContact CG2-CB 3.69Å; I420-E425 HydrophobicContact CG2-CG 3.66Å; I420-S426 PolarHBondContact O-OG 3.31Å | ||
| 421 | P | 86.3 | Confident | 84.6 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | trans | -78.1 | 41.7 | -173.1 | 34.9 | -38.4 | 0 | 0 | 0 | 112.3 | H419 | H419-P421 WeakPolarHBondContact O-CD 3.36Š| ||
| 422 | S | 92 | Very high | 87.3 | Confident | 54 Ų | 54 | 47 Ų | 47 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | trans | -101.7 | 136.5 | 168.7 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | I420 L424 E425 S426 | I420-S422 PolarHBondContact O-N 3.42Å; S422-L424 PolarHBondContact O-N 3.49Å; S422-E425 PolarHBondContact O-N 3.24Å; S422-S426 WeakPolarHBondContact O-CB 3.48Å; S422-S426 PolarHBondContact O-N 2.95Å | ||
| 423 | F | 89.5 | Confident | 89.6 | Confident | 118 Ų | 118 | 44.1 Ų | 44.1 | 52% | 0.518 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.3 | -44.5 | 178.9 | 177.4 | -90.7 | 0 | 0 | 0 | 111.5 | L375 T427 | L375-F423 HydrophobicContact CD1-CB 4.11Å; L375-F423 HydrophobicContact CD1-CD2 3.6Å; L375-F423 HydrophobicContact CD1-CE2 4.46Å; L375-F423 HydrophobicContact CD1-CG 4.24Å; F423-T427 HydrophobicContact CD2-CG2 4.16Å; F423-T427 HydrophobicContact CE2-CG2 3.99Å; F423-T427 HydrophobicContact CZ-CG2 4.22Å; F423-T427 VanDerWaalsContact O-CB 3.31Å; F423-T427 WeakPolarHBondContact O-CB 3.43Å; F423-T427 VanDerWaalsContact O-CG2 3.29Å; F423-T427 WeakPolarHBondContact O-CG2 3.44Å; F423-T427 PolarHBondContact O-N 2.77Å; F423-T427 VanDerWaalsContact O-N 3.09Å; F423-T427 PolarHBondContact O-OG1 2.79Å |
| 424 | L | 90.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -49.8 | -177.7 | -168.6 | 62.6 | 0 | 0 | 0 | 111 | F33 Y37 S422 T428 | F33-L424 HydrophobicContact CB-CD1 4.43Å; F33-L424 HydrophobicContact CB-CD2 4.29Å; F33-L424 HydrophobicContact CB-CG 4.48Å; F33-L424 HydrophobicContact CD1-CD1 4.1Å; F33-L424 HydrophobicContact CD1-CD2 3.54Å; F33-L424 HydrophobicContact CD1-CG 3.4Å; F33-L424 VanDerWaalsContact CD1-CG 3.4Å; F33-L424 HydrophobicContact CD2-CD2 3.57Å; F33-L424 HydrophobicContact CD2-CG 4.37Å; F33-L424 HydrophobicContact CE1-CB 4.41Å; F33-L424 HydrophobicContact CE1-CD2 3.64Å; F33-L424 HydrophobicContact CE1-CG 3.59Å; F33-L424 HydrophobicContact CE2-CD2 3.67Å; F33-L424 HydrophobicContact CG-CD1 4.29Å; F33-L424 HydrophobicContact CG-CD2 3.5Å; F33-L424 HydrophobicContact CG-CG 3.82Å; F33-L424 HydrophobicContact CZ-CD2 3.7Å; F33-L424 HydrophobicContact CZ-CG 4.16Å; Y37-L424 HydrophobicContact CE1-CD1 4.43Å; Y37-L424 WeakPolarHBondContact OH-CD1 3.46Å; S422-L424 PolarHBondContact O-N 3.49Å; L424-T428 HydrophobicContact CD1-CG2 4.17Å; L424-T428 VanDerWaalsContact O-CB 3.25Å; L424-T428 WeakPolarHBondContact O-CB 3.36Å; L424-T428 VanDerWaalsContact O-CG2 3.25Å; L424-T428 WeakPolarHBondContact O-CG2 3.3Å; L424-T428 PolarHBondContact O-N 2.82Å; L424-T428 PolarHBondContact O-OG1 2.82Å |
| 425 | E | 92.7 | Very high | 92.8 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -53.5 | -178.9 | -68.1 | -85.1 | 170.4 | 0 | 0 | 112.5 | F33 I420 S422 T427 T428 A429 | F33-E425 HydrophobicContact CE1-CG 4.37Å; F33-E425 WeakPolarHBondContact CZ-OE1 3.25Å; I420-E425 HydrophobicContact CB-CB 3.9Å; I420-E425 HydrophobicContact CB-CG 4.34Å; I420-E425 WeakPolarHBondContact CD1-OE2 3.5Å; I420-E425 HydrophobicContact CG2-CB 3.69Å; I420-E425 HydrophobicContact CG2-CG 3.66Å; S422-E425 PolarHBondContact O-N 3.24Å; E425-T427 VanDerWaalsContact C-N 3.26Å; E425-T427 PolarHBondContact O-N 3.05Å; E425-T428 PolarHBondContact O-N 3.43Å; E425-A429 PolarHBondContact O-N 2.87Å; E425-A429 VanDerWaalsContact O-N 3.08Å |
| 426 | S | 93.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -29.2 | -177.7 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | T370 G371 H419 I420 S422 | T370-S426 PolarHBondContact OG1-O 3.27Å; G371-S426 PolarHBondContact N-O 3.31Å; H419-S426 PolarHBondContact NE2-OG 2.96Å; I420-S426 PolarHBondContact O-OG 3.31Å; S422-S426 WeakPolarHBondContact O-CB 3.48Å; S422-S426 PolarHBondContact O-N 2.95Å |
| 427 | T | 93.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -95.8 | -10.8 | 179.7 | 66 | 0 | 0 | 0 | 0 | 113.9 | R25 L375 F423 E425 | R25-T427 PolarHBondContact NH1-O 3.08Å; L375-T427 HydrophobicContact CD1-CG2 4.25Å; F423-T427 HydrophobicContact CD2-CG2 4.16Å; F423-T427 HydrophobicContact CE2-CG2 3.99Å; F423-T427 HydrophobicContact CZ-CG2 4.22Å; F423-T427 VanDerWaalsContact O-CB 3.31Å; F423-T427 WeakPolarHBondContact O-CB 3.43Å; F423-T427 VanDerWaalsContact O-CG2 3.29Å; F423-T427 WeakPolarHBondContact O-CG2 3.44Å; F423-T427 PolarHBondContact O-N 2.77Å; F423-T427 VanDerWaalsContact O-N 3.09Å; F423-T427 PolarHBondContact O-OG1 2.79Å; E425-T427 VanDerWaalsContact C-N 3.26Å; E425-T427 PolarHBondContact O-N 3.05Å |
| 428 | T | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -118.4 | 4.6 | -178.5 | 68.2 | 0 | 0 | 0 | 0 | 114 | P34 Y37 L424 E425 A430 Y431 V432 | P34-T428 HydrophobicContact CG-CG2 3.75Å; Y37-T428 HydrophobicContact CE1-CG2 3.78Å; L424-T428 HydrophobicContact CD1-CG2 4.17Å; L424-T428 VanDerWaalsContact O-CB 3.25Å; L424-T428 WeakPolarHBondContact O-CB 3.36Å; L424-T428 VanDerWaalsContact O-CG2 3.25Å; L424-T428 WeakPolarHBondContact O-CG2 3.3Å; L424-T428 PolarHBondContact O-N 2.82Å; L424-T428 PolarHBondContact O-OG1 2.82Å; E425-T428 PolarHBondContact O-N 3.43Å; T428-A430 PolarHBondContact O-N 2.84Å; T428-Y431 WeakPolarHBondContact O-CA 3.46Å; T428-Y431 WeakPolarHBondContact O-CB 3.42Å; T428-Y431 PolarHBondContact O-N 3.25Å; T428-V432 WeakPolarHBondContact O-CG2 3.21Å; T428-V432 PolarHBondContact O-N 2.9Å |
| 429 | A | 96.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -47 | -40.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V174 S177 T370 E425 V432 G433 | V174-A429 HydrophobicContact CG1-CB 4.32Å; V174-A429 HydrophobicContact CG2-CB 3.98Å; S177-A429 VanDerWaalsContact CB-O 3.29Å; S177-A429 WeakPolarHBondContact CB-O 3.29Å; S177-A429 PolarHBondContact OG-O 2.85Å; T370-A429 WeakPolarHBondContact OG1-CB 3.4Å; E425-A429 PolarHBondContact O-N 2.87Å; E425-A429 VanDerWaalsContact O-N 3.08Å; A429-V432 PolarHBondContact O-N 2.89Å; A429-G433 PolarHBondContact O-N 3.17Å |
| 430 | A | 96.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T139 T170 L173 V174 T428 G433 A434 | T139-A430 HydrophobicContact CG2-CB 4.49Å; T170-A430 HydrophobicContact CG2-CB 3.8Å; L173-A430 WeakPolarHBondContact CB-O 3.47Å; V174-A430 HydrophobicContact CG2-CB 4.17Å; T428-A430 PolarHBondContact O-N 2.84Å; A430-G433 PolarHBondContact O-N 3.46Å; A430-A434 PolarHBondContact O-N 3Å |
| 431 | Y | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 172.4 | 178.9 | -79.4 | 0 | 0 | 0 | 112 | L16 D18 G27 Y28 F33 P34 T428 G433 A434 S435 | L16-Y431 HydrophobicContact CB-CD2 4.19Å; L16-Y431 HydrophobicContact CB-CE2 3.61Å; L16-Y431 HydrophobicContact CD1-CE1 4.24Å; L16-Y431 HydrophobicContact CD1-CE2 4.07Å; L16-Y431 HydrophobicContact CG-CE2 4.45Å; D18-Y431 HydrophobicContact CB-CD2 4.21Å; D18-Y431 WeakPolarHBondContact OD2-CB 3.32Å; D18-Y431 PolarHBondContact OD2-N 3.45Å; G27-Y431 WeakPolarHBondContact CA-OH 3.27Å; Y28-Y431 PolarHBondContact N-OH 2.84Å; Y28-Y431 PolarHBondContact O-OH 2.91Å; Y28-Y431 VanDerWaalsContact O-OH 3.1Å; F33-Y431 VanDerWaalsContact C-CE1 3.45Å; P34-Y431 HydrophobicContact CB-CD1 4.32Å; P34-Y431 HydrophobicContact CB-CD2 4.04Å; P34-Y431 HydrophobicContact CB-CE1 4.32Å; P34-Y431 HydrophobicContact CB-CE2 3.98Å; P34-Y431 HydrophobicContact CB-CG 4.22Å; P34-Y431 HydrophobicContact CG-CD1 3.65Å; P34-Y431 HydrophobicContact CG-CD2 3.8Å; P34-Y431 HydrophobicContact CG-CE1 4.11Å; P34-Y431 HydrophobicContact CG-CE2 4.19Å; P34-Y431 HydrophobicContact CG-CG 3.51Å; P34-Y431 VanDerWaalsContact N-CE1 3.31Å; T428-Y431 WeakPolarHBondContact O-CA 3.46Å; T428-Y431 WeakPolarHBondContact O-CB 3.42Å; T428-Y431 PolarHBondContact O-N 3.25Å; Y431-G433 VanDerWaalsContact C-N 3.29Å; Y431-G433 PolarHBondContact O-N 3.24Å; Y431-A434 WeakPolarHBondContact O-CA 3.38Å; Y431-A434 WeakPolarHBondContact O-CB 3.32Å; Y431-A434 PolarHBondContact O-N 2.94Å; Y431-A434 VanDerWaalsContact O-N 3.1Å; Y431-S435 PolarHBondContact O-N 3.34Å |
| 432 | V | 95.7 | Very high | 93.1 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 11% | 0.109 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.8 | 177 | 0 | 0 | 0 | 0 | 110.1 | S32 F33 T428 A429 A434 S435 I436 | S32-V432 WeakPolarHBondContact O-CG2 3.41Å; F33-V432 HydrophobicContact CD1-CG2 4.21Å; F33-V432 HydrophobicContact CE1-CG2 4.47Å; T428-V432 WeakPolarHBondContact O-CG2 3.21Å; T428-V432 PolarHBondContact O-N 2.9Å; A429-V432 PolarHBondContact O-N 2.89Å; V432-A434 PolarHBondContact O-N 3.12Å; V432-S435 WeakPolarHBondContact O-CB 3.48Å; V432-S435 PolarHBondContact O-N 3.38Å; V432-I436 HydrophobicContact CG1-CD1 3.93Å; V432-I436 VanDerWaalsContact O-CG1 3.29Å; V432-I436 WeakPolarHBondContact O-CG1 3.43Å; V432-I436 PolarHBondContact O-N 2.69Å |
| 433 | G | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L173 A429 A430 Y431 S435 I436 V437 | L173-G433 VanDerWaalsContact O-CA 3.27Å; L173-G433 WeakPolarHBondContact O-CA 3.32Å; A429-G433 PolarHBondContact O-N 3.17Å; A430-G433 PolarHBondContact O-N 3.46Å; Y431-G433 VanDerWaalsContact C-N 3.29Å; Y431-G433 PolarHBondContact O-N 3.24Å; G433-S435 PolarHBondContact O-N 3.33Å; G433-I436 PolarHBondContact O-N 2.86Å; G433-V437 WeakPolarHBondContact O-CG2 3.34Å; G433-V437 PolarHBondContact O-N 3.37Å |
| 434 | A | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L16 F137 T139 L173 A430 Y431 V432 I436 V437 T438 | L16-A434 HydrophobicContact CD1-CB 4.29Å; F137-A434 HydrophobicContact CD1-CB 3.8Å; F137-A434 HydrophobicContact CE1-CB 3.58Å; F137-A434 HydrophobicContact CZ-CB 4.2Å; T139-A434 HydrophobicContact CG2-CB 4.35Å; L173-A434 HydrophobicContact CD1-CB 4.18Å; A430-A434 PolarHBondContact O-N 3Å; Y431-A434 WeakPolarHBondContact O-CA 3.38Å; Y431-A434 WeakPolarHBondContact O-CB 3.32Å; Y431-A434 PolarHBondContact O-N 2.94Å; Y431-A434 VanDerWaalsContact O-N 3.1Å; V432-A434 PolarHBondContact O-N 3.12Å; A434-I436 VanDerWaalsContact C-N 3.32Å; A434-I436 PolarHBondContact O-N 3.45Å; A434-V437 VanDerWaalsContact O-CG2 3.26Å; A434-V437 WeakPolarHBondContact O-CG2 3.36Å; A434-V437 PolarHBondContact O-N 3.29Å; A434-T438 WeakPolarHBondContact O-CB 3.46Å; A434-T438 WeakPolarHBondContact O-CG2 3.18Å; A434-T438 PolarHBondContact O-N 2.86Å; A434-T438 PolarHBondContact O-OG1 3.48Å |
| 435 | S | 95.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | G30 D31 Y431 V432 G433 S439 | G30-S435 WeakPolarHBondContact CA-OG 3.42Å; G30-S435 PolarHBondContact N-OG 3.48Å; D31-S435 PolarHBondContact N-OG 3Å; D31-S435 WeakPolarHBondContact O-CB 3.41Å; D31-S435 PolarHBondContact O-OG 2.78Å; Y431-S435 PolarHBondContact O-N 3.34Å; V432-S435 WeakPolarHBondContact O-CB 3.48Å; V432-S435 PolarHBondContact O-N 3.38Å; G433-S435 PolarHBondContact O-N 3.33Å; S435-S439 WeakPolarHBondContact O-CB 3.41Å; S435-S439 PolarHBondContact O-N 3.06Å; S435-S439 PolarHBondContact O-OG 3.19Å |
| 436 | I | 93.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 33.5 Ų | 33.5 | 30% | 0.297 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.7 | -49.3 | 175.5 | -67.8 | 164.2 | 0 | 0 | 0 | 110.6 | I176 V432 G433 A434 S439 Q440 | I176-I436 HydrophobicContact CG2-CB 4.38Å; I176-I436 HydrophobicContact CG2-CG2 3.95Å; V432-I436 HydrophobicContact CG1-CD1 3.93Å; V432-I436 VanDerWaalsContact O-CG1 3.29Å; V432-I436 WeakPolarHBondContact O-CG1 3.43Å; V432-I436 PolarHBondContact O-N 2.69Å; G433-I436 PolarHBondContact O-N 2.86Å; A434-I436 VanDerWaalsContact C-N 3.32Å; A434-I436 PolarHBondContact O-N 3.45Å; I436-S439 PolarHBondContact O-N 3.02Å; I436-S439 PolarHBondContact O-OG 3.2Å; I436-Q440 WeakPolarHBondContact O-CG 3.42Å; I436-Q440 PolarHBondContact O-N 3.2Å |
| 437 | V | 93.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.6 | -41.5 | -176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | F137 L173 I176 G433 A434 S439 Q440 F443 | F137-V437 HydrophobicContact CE2-CG2 4.2Å; F137-V437 HydrophobicContact CZ-CG2 4.34Å; L173-V437 HydrophobicContact CD2-CG1 4.4Å; L173-V437 HydrophobicContact CD2-CG2 3.83Å; I176-V437 HydrophobicContact CD1-CG1 3.47Å; I176-V437 VanDerWaalsContact CD1-CG1 3.47Å; I176-V437 HydrophobicContact CG2-CG1 3.99Å; G433-V437 WeakPolarHBondContact O-CG2 3.34Å; G433-V437 PolarHBondContact O-N 3.37Å; A434-V437 VanDerWaalsContact O-CG2 3.26Å; A434-V437 WeakPolarHBondContact O-CG2 3.36Å; A434-V437 PolarHBondContact O-N 3.29Å; V437-S439 PolarHBondContact O-N 3.08Å; V437-Q440 WeakPolarHBondContact O-CB 3.5Å; V437-Q440 PolarHBondContact O-N 2.99Å; V437-Q440 VanDerWaalsContact O-N 3.12Å; V437-F443 HydrophobicContact CB-CD2 4.01Å; V437-F443 HydrophobicContact CB-CE2 4.4Å; V437-F443 HydrophobicContact CG2-CD2 4.21Å; V437-F443 HydrophobicContact CG2-CE2 4.13Å; V437-F443 WeakPolarHBondContact O-CB 3.5Å; V437-F443 WeakPolarHBondContact O-CG 3.48Å |
| 438 | T | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.9 | -19.1 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | L16 S29 F137 A434 F443 Q444 W447 | L16-T438 HydrophobicContact CD2-CG2 3.91Å; S29-T438 VanDerWaalsContact CB-OG1 3.31Å; S29-T438 WeakPolarHBondContact CB-OG1 3.45Å; S29-T438 VanDerWaalsContact OG-C 3.3Å; S29-T438 WeakPolarHBondContact OG-CB 3.46Å; S29-T438 PolarHBondContact OG-O 2.85Å; S29-T438 PolarHBondContact OG-OG1 3.37Å; F137-T438 HydrophobicContact CB-CG2 4.12Å; F137-T438 HydrophobicContact CD2-CG2 3.36Å; F137-T438 HydrophobicContact CE2-CG2 3.9Å; F137-T438 HydrophobicContact CG-CG2 3.88Å; A434-T438 WeakPolarHBondContact O-CB 3.46Å; A434-T438 WeakPolarHBondContact O-CG2 3.18Å; A434-T438 PolarHBondContact O-N 2.86Å; A434-T438 PolarHBondContact O-OG1 3.48Å; T438-F443 HydrophobicContact CG2-CD1 4.22Å; T438-F443 HydrophobicContact CG2-CE1 3.92Å; T438-F443 HydrophobicContact CG2-CZ 4.44Å; T438-Q444 PolarHBondContact O-NE2 3.14Å; T438-W447 HydrophobicContact CG2-CH2 3.95Å; T438-W447 HydrophobicContact CG2-CZ2 3.93Å |
| 439 | S | 91.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7 | 174.3 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | S29 S435 I436 V437 | S29-S439 PolarHBondContact OG-N 3.28Å; S435-S439 WeakPolarHBondContact O-CB 3.41Å; S435-S439 PolarHBondContact O-N 3.06Å; S435-S439 PolarHBondContact O-OG 3.19Å; I436-S439 PolarHBondContact O-N 3.02Å; I436-S439 PolarHBondContact O-OG 3.2Å; V437-S439 PolarHBondContact O-N 3.08Å |
| 440 | Q | 89.2 | Confident | 92.9 | Very high | 86 Ų | 86 | 36.7 Ų | 36.7 | 40% | 0.402 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -83.9 | 132.4 | 176.1 | -71.7 | 172.6 | 2.2 | 0 | 0 | 111.3 | I436 V437 T442 F443 | I436-Q440 WeakPolarHBondContact O-CG 3.42Å; I436-Q440 PolarHBondContact O-N 3.2Å; V437-Q440 WeakPolarHBondContact O-CB 3.5Å; V437-Q440 PolarHBondContact O-N 2.99Å; V437-Q440 VanDerWaalsContact O-N 3.12Å; Q440-T442 PolarHBondContact O-N 3.36Å; Q440-F443 WeakPolarHBondContact O-CB 3.15Å; Q440-F443 PolarHBondContact O-N 3.42Å |
| 441 | G | 86.6 | Confident | 92.8 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 62% | 0.619 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -58.7 | -29.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F443 Q444 | G441-F443 PolarHBondContact O-N 3.15Å; G441-Q444 WeakPolarHBondContact O-CG 3.35Å; G441-Q444 PolarHBondContact O-N 3.48Å |
| 442 | T | 87 | Confident | 92.7 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 67% | 0.669 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -67.1 | -23.3 | 175.7 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | Q440 Q444 | Q440-T442 PolarHBondContact O-N 3.36Å; T442-Q444 VanDerWaalsContact C-N 3.3Å |
| 443 | F | 90.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -75.7 | -19.6 | 179.1 | -170.4 | -92.2 | 0 | 0 | 0 | 112.6 | F137 Y166 V437 T438 Q440 G441 Q445 L446 W447 | F137-F443 HydrophobicContact CD2-CE1 4.21Å; F137-F443 AromaticContact CD2-CZ 3.92Å; F137-F443 HydrophobicContact CD2-CZ 3.92Å; F137-F443 HydrophobicContact CE2-CE1 4.26Å; F137-F443 HydrophobicContact CE2-CE2 4.16Å; F137-F443 AromaticContact CE2-CZ 3.55Å; F137-F443 HydrophobicContact CE2-CZ 3.55Å; Y166-F443 HydrophobicContact CD1-CE2 4.42Å; Y166-F443 AromaticContact CD1-CZ 3.76Å; Y166-F443 HydrophobicContact CD1-CZ 3.76Å; Y166-F443 HydrophobicContact CD2-CZ 4.02Å; Y166-F443 HydrophobicContact CE1-CE2 4.2Å; Y166-F443 AromaticContact CE1-CZ 3.98Å; Y166-F443 HydrophobicContact CE1-CZ 3.98Å; Y166-F443 HydrophobicContact CE2-CZ 4.22Å; Y166-F443 AromaticContact CG-CZ 3.77Å; Y166-F443 HydrophobicContact CG-CZ 3.77Å; V437-F443 HydrophobicContact CB-CD2 4.01Å; V437-F443 HydrophobicContact CB-CE2 4.4Å; V437-F443 HydrophobicContact CG2-CD2 4.21Å; V437-F443 HydrophobicContact CG2-CE2 4.13Å; V437-F443 WeakPolarHBondContact O-CB 3.5Å; V437-F443 WeakPolarHBondContact O-CG 3.48Å; T438-F443 HydrophobicContact CG2-CD1 4.22Å; T438-F443 HydrophobicContact CG2-CE1 3.92Å; T438-F443 HydrophobicContact CG2-CZ 4.44Å; Q440-F443 WeakPolarHBondContact O-CB 3.15Å; Q440-F443 PolarHBondContact O-N 3.42Å; G441-F443 PolarHBondContact O-N 3.15Å; F443-Q445 PolarHBondContact O-N 3.08Å; F443-L446 HydrophobicContact CD2-CB 4.39Å; F443-L446 HydrophobicContact CD2-CD1 3.69Å; F443-L446 HydrophobicContact CE2-CB 4.27Å; F443-L446 HydrophobicContact CE2-CD1 3.92Å; F443-L446 HydrophobicContact CG-CD1 4.45Å; F443-L446 HydrophobicContact CZ-CB 4.44Å; F443-L446 WeakPolarHBondContact O-CB 3.47Å; F443-L446 PolarHBondContact O-N 3.23Å; F443-W447 AromaticContact CD1-CE2 3.85Å; F443-W447 HydrophobicContact CD1-CZ2 4.06Å; F443-W447 AromaticContact CD1-NE1 3.8Å; F443-W447 AromaticContact CE1-CD2 3.94Å; F443-W447 HydrophobicContact CE1-CD2 3.94Å; F443-W447 AromaticContact CE1-CE2 3.57Å; F443-W447 HydrophobicContact CE1-CE3 4.33Å; F443-W447 HydrophobicContact CE1-CH2 4.1Å; F443-W447 AromaticContact CE1-CZ2 3.67Å; F443-W447 HydrophobicContact CE1-CZ2 3.67Å; F443-W447 HydrophobicContact CE1-CZ3 4.4Å; F443-W447 AromaticContact CE1-NE1 3.98Å |
| 444 | Q | 87.6 | Confident | 92.8 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61 | -24.7 | -174.3 | -59.3 | -51.1 | -23.5 | 0 | 0 | 114 | V12 T438 G441 T442 L446 | V12-Q444 VanDerWaalsContact CG2-CD 3.4Å; T438-Q444 PolarHBondContact O-NE2 3.14Å; G441-Q444 WeakPolarHBondContact O-CG 3.35Å; G441-Q444 PolarHBondContact O-N 3.48Å; T442-Q444 VanDerWaalsContact C-N 3.3Å; Q444-L446 VanDerWaalsContact C-N 3.33Å |
| 445 | Q | 88.8 | Confident | 92.9 | Very high | 167 Ų | 167 | 57 Ų | 57 | 78% | 0.78 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -81.7 | -9.6 | 177 | -61.2 | 179.8 | -1.3 | 0 | 0 | 113.8 | F443 | F443-Q445 PolarHBondContact O-N 3.08Š|
| 446 | L | 92.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -17.1 | -176.3 | -63.6 | 176.4 | 0 | 0 | 0 | 113.3 | Y166 F443 Q444 I448 F466 | Y166-L446 VanDerWaalsContact CD2-O 3.24Å; Y166-L446 WeakPolarHBondContact CD2-O 3.33Å; Y166-L446 HydrophobicContact CE2-CB 3.97Å; Y166-L446 VanDerWaalsContact CE2-O 3.3Å; Y166-L446 WeakPolarHBondContact CE2-O 3.04Å; F443-L446 HydrophobicContact CD2-CB 4.39Å; F443-L446 HydrophobicContact CD2-CD1 3.69Å; F443-L446 HydrophobicContact CE2-CB 4.27Å; F443-L446 HydrophobicContact CE2-CD1 3.92Å; F443-L446 HydrophobicContact CG-CD1 4.45Å; F443-L446 HydrophobicContact CZ-CB 4.44Å; F443-L446 WeakPolarHBondContact O-CB 3.47Å; F443-L446 PolarHBondContact O-N 3.23Å; Q444-L446 VanDerWaalsContact C-N 3.33Å; L446-I448 PolarHBondContact O-N 3.39Å; L446-F466 HydrophobicContact CD1-CD2 4.07Å; L446-F466 HydrophobicContact CD1-CE2 3.79Å |
| 447 | W | 93.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -56.3 | 135.9 | 175.2 | -69.2 | 113.9 | 0 | 0 | 0 | 110.9 | V12 A14 P135 I136 F137 A164 T438 F443 S449 Q452 | V12-W447 HydrophobicContact CG1-CZ2 4.39Å; A14-W447 HydrophobicContact CB-CH2 3.74Å; A14-W447 HydrophobicContact CB-CZ2 3.82Å; P135-W447 HydrophobicContact CB-CD2 4.24Å; P135-W447 HydrophobicContact CB-CE3 4.08Å; P135-W447 HydrophobicContact CB-CH2 4.03Å; P135-W447 HydrophobicContact CB-CZ2 4.19Å; P135-W447 HydrophobicContact CB-CZ3 3.99Å; P135-W447 HydrophobicContact CG-CH2 4.45Å; P135-W447 HydrophobicContact CG-CZ2 4.25Å; I136-W447 WeakPolarHBondContact O-CZ3 3.5Å; F137-W447 HydrophobicContact CB-CH2 3.92Å; F137-W447 HydrophobicContact CB-CZ3 4.19Å; F137-W447 HydrophobicContact CD2-CH2 4.13Å; F137-W447 HydrophobicContact CD2-CZ3 4.31Å; A164-W447 HydrophobicContact CB-CB 4.04Å; A164-W447 HydrophobicContact CB-CE3 4.46Å; A164-W447 HydrophobicContact CB-CG 4.41Å; T438-W447 HydrophobicContact CG2-CH2 3.95Å; T438-W447 HydrophobicContact CG2-CZ2 3.93Å; F443-W447 AromaticContact CD1-CE2 3.85Å; F443-W447 HydrophobicContact CD1-CZ2 4.06Å; F443-W447 AromaticContact CD1-NE1 3.8Å; F443-W447 AromaticContact CE1-CD2 3.94Å; F443-W447 HydrophobicContact CE1-CD2 3.94Å; F443-W447 AromaticContact CE1-CE2 3.57Å; F443-W447 HydrophobicContact CE1-CE3 4.33Å; F443-W447 HydrophobicContact CE1-CH2 4.1Å; F443-W447 AromaticContact CE1-CZ2 3.67Å; F443-W447 HydrophobicContact CE1-CZ2 3.67Å; F443-W447 HydrophobicContact CE1-CZ3 4.4Å; F443-W447 AromaticContact CE1-NE1 3.98Å; W447-S449 PolarHBondContact O-N 3.35Å; W447-Q452 PolarHBondContact O-OE1 3.47Å |
| 448 | I | 95.3 | Very high | 93 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.1 | 165.9 | -62.4 | 170.8 | 0 | 0 | 0 | 106.2 | F157 A164 F165 L446 Q452 F460 I461 T464 | F157-I448 HydrophobicContact CE2-CG2 4.24Å; F157-I448 HydrophobicContact CZ-CB 4.5Å; F157-I448 HydrophobicContact CZ-CG2 4.03Å; F157-I448 WeakPolarHBondContact CZ-O 3.37Å; A164-I448 CarbonylContact C-O 3.52Å; A164-I448 WeakPolarHBondContact CA-O 3.38Å; F165-I448 PolarHBondContact N-O 2.81Å; F165-I448 WeakPolarHBondContact O-CB 3.32Å; F165-I448 PolarHBondContact O-N 2.66Å; F165-I448 VanDerWaalsContact O-N 3.08Å; L446-I448 PolarHBondContact O-N 3.39Å; I448-Q452 HydrophobicContact CG2-CB 4.37Å; I448-F460 HydrophobicContact CB-CD1 4.49Å; I448-F460 HydrophobicContact CD1-CD1 4.08Å; I448-F460 HydrophobicContact CG1-CD1 4.01Å; I448-F460 HydrophobicContact CG1-CE1 4.05Å; I448-F460 HydrophobicContact CG2-CD1 3.75Å; I448-F460 HydrophobicContact CG2-CE1 4.19Å; I448-I461 HydrophobicContact CD1-CD1 3.57Å; I448-T464 HydrophobicContact CD1-CG2 3.87Å |
| 449 | S | 95.2 | Very high | 93 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 157 | 174.4 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | W447 E451 Q452 Y453 | W447-S449 PolarHBondContact O-N 3.35Å; S449-E451 PolarHBondContact O-N 2.83Å; S449-Q452 PolarHBondContact O-N 3.07Å; S449-Q452 VanDerWaalsContact OG-CG 3.29Å; S449-Q452 WeakPolarHBondContact OG-CG 3.45Å; S449-Q452 PolarHBondContact OG-N 3.24Å; S449-Q452 PolarHBondContact OG-OE1 3.05Å; S449-Q452 VanDerWaalsContact OG-OE1 3.07Å; S449-Y453 PolarHBondContact O-N 3.02Å |
| 450 | K | 95.2 | Very high | 93.2 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 27% | 0.274 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -38.5 | 172.5 | -169.9 | -178.9 | -179.9 | -163.3 | 0 | 112.3 | F157 D161 P163 Q452 Y453 E454 | F157-K450 HydrophobicContact CD1-CB 4.05Å; F157-K450 HydrophobicContact CD1-CG 4.04Å; F157-K450 HydrophobicContact CE1-CB 4.02Å; D161-K450 WeakPolarHBondContact OD1-CE 3.34Å; D161-K450 IonicContact OD1-NZ 3.67Å; D161-K450 PolarHBondContact OD1-NZ 2.81Å; P163-K450 PolarHBondContact O-N 3.25Å; K450-Q452 PolarHBondContact O-N 3.29Å; K450-Y453 WeakPolarHBondContact O-CB 3.29Å; K450-Y453 PolarHBondContact O-N 3.31Å; K450-Y453 VanDerWaalsContact O-N 3.16Å; K450-E454 WeakPolarHBondContact CE-OE1 3.23Å; K450-E454 HydrophobicContact CG-CG 4.48Å; K450-E454 IonicContact NZ-OE1 2.63Å; K450-E454 WeakPolarHBondContact O-CG 3.28Å; K450-E454 PolarHBondContact O-N 3.21Å |
| 451 | E | 95.7 | Very high | 93.5 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.6 | -44.4 | 176.2 | -63.4 | 178.4 | 175 | 0 | 0 | 111.9 | S449 E454 E455 | S449-E451 PolarHBondContact O-N 2.83Å; E451-E454 PolarHBondContact O-N 3.13Å; E451-E455 WeakPolarHBondContact O-CB 3.01Å; E451-E455 PolarHBondContact O-N 3.3Å |
| 452 | Q | 95.3 | Very high | 93.8 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 175.1 | -72.8 | 166.3 | -37.8 | 0 | 0 | 111.9 | W447 I448 S449 K450 E454 E455 Y456 F460 | W447-Q452 PolarHBondContact O-OE1 3.47Å; I448-Q452 HydrophobicContact CG2-CB 4.37Å; S449-Q452 PolarHBondContact O-N 3.07Å; S449-Q452 VanDerWaalsContact OG-CG 3.29Å; S449-Q452 WeakPolarHBondContact OG-CG 3.45Å; S449-Q452 PolarHBondContact OG-N 3.24Å; S449-Q452 PolarHBondContact OG-OE1 3.05Å; S449-Q452 VanDerWaalsContact OG-OE1 3.07Å; K450-Q452 PolarHBondContact O-N 3.29Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; Q452-E455 PolarHBondContact O-N 3.44Å; Q452-Y456 HydrophobicContact CB-CD2 4.39Å; Q452-Y456 WeakPolarHBondContact O-CB 3.44Å; Q452-Y456 VanDerWaalsContact O-CD2 3.29Å; Q452-Y456 WeakPolarHBondContact O-CD2 3.42Å; Q452-Y456 PolarHBondContact O-N 2.89Å; Q452-F460 HydrophobicContact CB-CD1 4.32Å; Q452-F460 HydrophobicContact CB-CE1 4.04Å; Q452-F460 HydrophobicContact CG-CE1 4.48Å |
| 453 | Y | 96.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 65 Ų | 65 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 174.4 | 175.4 | -93.5 | 0 | 0 | 0 | 111.8 | A153 E154 F157 E158 S449 K450 G457 K458 | A153-Y453 HydrophobicContact CB-CE2 4.42Å; E154-Y453 WeakPolarHBondContact CA-OH 3.39Å; F157-Y453 HydrophobicContact CB-CD1 3.7Å; F157-Y453 HydrophobicContact CB-CD2 4.39Å; F157-Y453 HydrophobicContact CB-CE1 3.77Å; F157-Y453 HydrophobicContact CB-CE2 4.4Å; F157-Y453 HydrophobicContact CB-CG 4.05Å; F157-Y453 HydrophobicContact CD1-CG 4.41Å; F157-Y453 HydrophobicContact CD2-CD1 4Å; F157-Y453 AromaticContact CD2-CD2 3.29Å; F157-Y453 HydrophobicContact CD2-CD2 3.29Å; F157-Y453 HydrophobicContact CD2-CE1 4.46Å; F157-Y453 AromaticContact CD2-CE2 3.78Å; F157-Y453 HydrophobicContact CD2-CE2 3.78Å; F157-Y453 AromaticContact CD2-CG 3.41Å; F157-Y453 HydrophobicContact CD2-CG 3.41Å; F157-Y453 VanDerWaalsContact CD2-CG 3.41Å; F157-Y453 AromaticContact CE2-CD2 3.72Å; F157-Y453 HydrophobicContact CE2-CD2 3.72Å; F157-Y453 AromaticContact CE2-CG 3.86Å; F157-Y453 HydrophobicContact CE2-CG 3.86Å; F157-Y453 AromaticContact CG-CD1 3.88Å; F157-Y453 HydrophobicContact CG-CD1 3.88Å; F157-Y453 HydrophobicContact CG-CD2 4.04Å; F157-Y453 HydrophobicContact CG-CE1 4.36Å; F157-Y453 HydrophobicContact CG-CE2 4.45Å; F157-Y453 AromaticContact CG-CG 3.72Å; F157-Y453 HydrophobicContact CG-CG 3.72Å; E158-Y453 HydrophobicContact CG-CE1 4Å; E158-Y453 PolarHBondContact OE1-OH 3.19Å; S449-Y453 PolarHBondContact O-N 3.02Å; K450-Y453 WeakPolarHBondContact O-CB 3.29Å; K450-Y453 PolarHBondContact O-N 3.31Å; K450-Y453 VanDerWaalsContact O-N 3.16Å; Y453-G457 CarbonylContact O-C 3.39Å; Y453-G457 WeakPolarHBondContact O-CA 3.46Å; Y453-G457 PolarHBondContact O-N 3.05Å; Y453-K458 VanDerWaalsContact CE2-CA 3.49Å; Y453-K458 HydrophobicContact CE2-CB 3.71Å |
| 454 | E | 96.8 | Very high | 93.7 | Very high | 127 Ų | 127 | 65.3 Ų | 65.3 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.6 | -35.3 | 177.8 | -71.6 | 174.8 | 174.9 | 0 | 0 | 112.3 | K450 E451 Q452 | K450-E454 WeakPolarHBondContact CE-OE1 3.23Å; K450-E454 HydrophobicContact CG-CG 4.48Å; K450-E454 IonicContact NZ-OE1 2.63Å; K450-E454 WeakPolarHBondContact O-CG 3.28Å; K450-E454 PolarHBondContact O-N 3.21Å; E451-E454 PolarHBondContact O-N 3.13Å; Q452-E454 VanDerWaalsContact C-N 3.35Å |
| 455 | E | 96.7 | Very high | 93.3 | Very high | 136 Ų | 136 | 67.5 Ų | 67.5 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74.2 | -47.8 | 178.9 | -173.7 | -178.1 | -179.2 | 0 | 0 | 112.9 | E451 Q452 | E451-E455 WeakPolarHBondContact O-CB 3.01Å; E451-E455 PolarHBondContact O-N 3.3Å; Q452-E455 PolarHBondContact O-N 3.44Å |
| 456 | Y | 95.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 62 Ų | 62 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -101.4 | -11.3 | -172.2 | -62.5 | -75.7 | 0 | 0 | 0 | 113.7 | Q452 F460 | Q452-Y456 HydrophobicContact CB-CD2 4.39Å; Q452-Y456 WeakPolarHBondContact O-CB 3.44Å; Q452-Y456 VanDerWaalsContact O-CD2 3.29Å; Q452-Y456 WeakPolarHBondContact O-CD2 3.42Å; Q452-Y456 PolarHBondContact O-N 2.89Å; Y456-F460 HydrophobicContact CD1-CD2 4.43Å; Y456-F460 AromaticContact CD2-CD2 3.93Å; Y456-F460 HydrophobicContact CD2-CD2 3.93Å; Y456-F460 AromaticContact CD2-CE2 3.97Å; Y456-F460 HydrophobicContact CD2-CE2 3.97Å; Y456-F460 HydrophobicContact CD2-CG 4.37Å; Y456-F460 HydrophobicContact CD2-CZ 4.43Å; Y456-F460 HydrophobicContact CE2-CE2 4.45Å; Y456-F460 AromaticContact CG-CD2 3.75Å; Y456-F460 HydrophobicContact CG-CD2 3.75Å; Y456-F460 HydrophobicContact CG-CE2 4.14Å; Y456-F460 HydrophobicContact CG-CG 4.32Å |
| 457 | G | 95 | Very high | 92.3 | Very high | 28 Ų | 28 | 62 Ų | 62 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | trans | 71.5 | -179.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y453 Q459 F460 | Y453-G457 CarbonylContact O-C 3.39Å; Y453-G457 WeakPolarHBondContact O-CA 3.46Å; Y453-G457 PolarHBondContact O-N 3.05Å; G457-Q459 PolarHBondContact O-N 3.23Å; G457-Q459 VanDerWaalsContact O-N 3.07Å; G457-F460 WeakPolarHBondContact O-CB 3.07Å; G457-F460 PolarHBondContact O-N 3.2Å | ||
| 458 | K | 94.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.5 | -25.7 | -176.4 | 66.1 | -166.6 | -174.6 | -171.5 | 0 | 115.9 | E150 E154 Y453 F460 I461 | E150-K458 HydrophobicContact CB-CB 4.24Å; E150-K458 HydrophobicContact CB-CD 4.1Å; E150-K458 HydrophobicContact CB-CG 4.01Å; E150-K458 HydrophobicContact CG-CB 4.35Å; E150-K458 HydrophobicContact CG-CG 4.09Å; E154-K458 WeakPolarHBondContact OE2-CD 3.3Å; E154-K458 IonicContact OE2-NZ 2.84Å; E154-K458 PolarHBondContact OE2-NZ 2.84Å; Y453-K458 VanDerWaalsContact CE2-CA 3.49Å; Y453-K458 HydrophobicContact CE2-CB 3.71Å; K458-F460 PolarHBondContact O-N 3.2Å; K458-F460 VanDerWaalsContact O-N 3.16Å; K458-I461 WeakPolarHBondContact O-CG2 3.25Å; K458-I461 PolarHBondContact O-N 3.31Å |
| 459 | Q | 94.7 | Very high | 92.1 | Very high | 139 Ų | 139 | 68 Ų | 68 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.6 | 178.2 | -64.6 | 178.2 | 7.6 | 0 | 0 | 112.7 | G457 I461 Q462 | G457-Q459 PolarHBondContact O-N 3.23Å; G457-Q459 VanDerWaalsContact O-N 3.07Å; Q459-I461 PolarHBondContact O-N 2.82Å; Q459-I461 VanDerWaalsContact O-N 3.15Å; Q459-Q462 WeakPolarHBondContact O-CB 3.38Å; Q459-Q462 WeakPolarHBondContact O-CG 3.43Å; Q459-Q462 PolarHBondContact O-N 3Å |
| 460 | F | 94.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.3 | 177.9 | -164 | -110.3 | 0 | 0 | 0 | 112.9 | I448 Q452 Y456 G457 K458 Q462 T463 | I448-F460 HydrophobicContact CB-CD1 4.49Å; I448-F460 HydrophobicContact CD1-CD1 4.08Å; I448-F460 HydrophobicContact CG1-CD1 4.01Å; I448-F460 HydrophobicContact CG1-CE1 4.05Å; I448-F460 HydrophobicContact CG2-CD1 3.75Å; I448-F460 HydrophobicContact CG2-CE1 4.19Å; Q452-F460 HydrophobicContact CB-CD1 4.32Å; Q452-F460 HydrophobicContact CB-CE1 4.04Å; Q452-F460 HydrophobicContact CG-CE1 4.48Å; Y456-F460 HydrophobicContact CD1-CD2 4.43Å; Y456-F460 AromaticContact CD2-CD2 3.93Å; Y456-F460 HydrophobicContact CD2-CD2 3.93Å; Y456-F460 AromaticContact CD2-CE2 3.97Å; Y456-F460 HydrophobicContact CD2-CE2 3.97Å; Y456-F460 HydrophobicContact CD2-CG 4.37Å; Y456-F460 HydrophobicContact CD2-CZ 4.43Å; Y456-F460 HydrophobicContact CE2-CE2 4.45Å; Y456-F460 AromaticContact CG-CD2 3.75Å; Y456-F460 HydrophobicContact CG-CD2 3.75Å; Y456-F460 HydrophobicContact CG-CE2 4.14Å; Y456-F460 HydrophobicContact CG-CG 4.32Å; G457-F460 WeakPolarHBondContact O-CB 3.07Å; G457-F460 PolarHBondContact O-N 3.2Å; K458-F460 PolarHBondContact O-N 3.2Å; K458-F460 VanDerWaalsContact O-N 3.16Å; F460-Q462 PolarHBondContact O-N 3.29Å; F460-Q462 VanDerWaalsContact O-N 3.08Å; F460-T463 HydrophobicContact CD2-CG2 4.19Å; F460-T463 HydrophobicContact CE2-CG2 4.28Å; F460-T463 WeakPolarHBondContact O-CB 3.44Å; F460-T463 WeakPolarHBondContact O-CG2 3.18Å; F460-T463 PolarHBondContact O-N 2.93Å; F460-T463 VanDerWaalsContact O-N 3.07Å; F460-T463 PolarHBondContact O-OG1 2.9Å |
| 461 | I | 94.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -59 | -23.1 | 175 | -162.3 | 56.5 | 0 | 0 | 0 | 112.9 | R149 E150 A153 F165 L167 I448 K458 Q459 T463 T464 | R149-I461 HydrophobicContact CB-CG2 4.03Å; R149-I461 PolarHBondContact NH2-O 3.31Å; E150-I461 HydrophobicContact CG-CG2 3.95Å; A153-I461 HydrophobicContact CB-CB 4.2Å; A153-I461 HydrophobicContact CB-CG1 4.2Å; F165-I461 HydrophobicContact CD1-CD1 3.82Å; F165-I461 HydrophobicContact CE1-CD1 3.75Å; F165-I461 HydrophobicContact CE1-CG1 4.39Å; L167-I461 HydrophobicContact CB-CD1 4.33Å; L167-I461 HydrophobicContact CD1-CD1 4.09Å; L167-I461 HydrophobicContact CD1-CG1 3.74Å; L167-I461 HydrophobicContact CG-CD1 4.08Å; L167-I461 HydrophobicContact CG-CG1 4.3Å; I448-I461 HydrophobicContact CD1-CD1 3.57Å; K458-I461 WeakPolarHBondContact O-CG2 3.25Å; K458-I461 PolarHBondContact O-N 3.31Å; Q459-I461 PolarHBondContact O-N 2.82Å; Q459-I461 VanDerWaalsContact O-N 3.15Å; I461-T463 PolarHBondContact O-N 2.89Å; I461-T464 HydrophobicContact CD1-CG2 4.18Å |
| 462 | Q | 93.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -70.4 | -10.5 | 179.4 | -53.6 | -55.4 | -20.9 | 0 | 0 | 113.3 | K146 E150 Q459 F460 T464 | K146-Q462 PolarHBondContact O-NE2 3.08Å; E150-Q462 PolarHBondContact OE1-NE2 3.13Å; Q459-Q462 WeakPolarHBondContact O-CB 3.38Å; Q459-Q462 WeakPolarHBondContact O-CG 3.43Å; Q459-Q462 PolarHBondContact O-N 3Å; F460-Q462 PolarHBondContact O-N 3.29Å; F460-Q462 VanDerWaalsContact O-N 3.08Å; Q462-T464 VanDerWaalsContact C-N 3.34Å |
| 463 | T | 89.1 | Confident | 91.2 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -82.6 | -8.3 | -178.4 | 65.8 | 0 | 0 | 0 | 0 | 113.8 | F460 I461 P465 | F460-T463 HydrophobicContact CD2-CG2 4.19Å; F460-T463 HydrophobicContact CE2-CG2 4.28Å; F460-T463 WeakPolarHBondContact O-CB 3.44Å; F460-T463 WeakPolarHBondContact O-CG2 3.18Å; F460-T463 PolarHBondContact O-N 2.93Å; F460-T463 VanDerWaalsContact O-N 3.07Å; F460-T463 PolarHBondContact O-OG1 2.9Å; I461-T463 PolarHBondContact O-N 2.89Å; T463-P465 WeakPolarHBondContact O-CD 3.46Å |
| 464 | T | 86.9 | Confident | 90.7 | Very high | 14 Ų | 14 | 73.9 Ų | 73.9 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | trans | -64.9 | 121 | -177.9 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | R149 Y166 L167 I448 I461 Q462 | R149-T464 PolarHBondContact NH2-OG1 2.81Å; Y166-T464 HydrophobicContact CD2-CG2 3.97Å; Y166-T464 HydrophobicContact CE2-CG2 3.67Å; L167-T464 PolarHBondContact O-OG1 3.07Å; L167-T464 VanDerWaalsContact O-OG1 3.11Å; I448-T464 HydrophobicContact CD1-CG2 3.87Å; I461-T464 HydrophobicContact CD1-CG2 4.18Å; Q462-T464 VanDerWaalsContact C-N 3.34Å | ||
| 465 | P | 78.1 | Confident | 90.2 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | trans | -78.7 | -28 | -173.6 | 28.3 | -35.6 | 0 | 0 | 0 | 114.2 | Y166 T463 | Y166-P465 WeakPolarHBondContact OH-CD 3.42Å; T463-P465 WeakPolarHBondContact O-CD 3.46Å | ||
| 466 | F | 69.3 | Low | 89.7 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 23% | 0.232 | 32% | 0.321 | C | S | . | . | trans | -97.6 | 0 | -169.8 | -67.8 | -69.2 | 0 | 0 | 0 | 114.6 | G168 K169 S172 G201 I202 L446 | G168-F466 CarbonylContact C-O 3.57Å; G168-F466 WeakPolarHBondContact CA-O 3.33Å; K169-F466 WeakPolarHBondContact CA-OXT 3.37Å; K169-F466 WeakPolarHBondContact CB-OXT 3.11Å; K169-F466 WeakPolarHBondContact CG-O 3.48Å; K169-F466 WeakPolarHBondContact CG-OXT 3.39Å; K169-F466 PolarHBondContact N-O 2.64Å; K169-F466 PolarHBondContact N-OXT 3.36Å; S172-F466 VanDerWaalsContact CB-OXT 3.29Å; S172-F466 WeakPolarHBondContact CB-OXT 3.42Å; S172-F466 PolarHBondContact OG-OXT 3.21Å; G201-F466 WeakPolarHBondContact O-CD1 3.25Å; I202-F466 HydrophobicContact CG1-CD1 4.25Å; I202-F466 HydrophobicContact CG1-CE1 3.68Å; I202-F466 HydrophobicContact CG1-CZ 4.39Å; L446-F466 HydrophobicContact CD1-CD2 4.07Å; L446-F466 HydrophobicContact CD1-CE2 3.79Å |
Retrieved 466 of 466 residues in 165.5 ms
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