| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 55.4 | Low | 215 Ų | 215 | 102.5 Ų | 102.5 | 100% | 1.059 | 58% | 0.576 | S | S | * | * | 0 | 117.4 | 0 | -67.9 | 65.2 | 169.2 | 0 | 0 | 106.9 | N3 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.66Å | |||
| 2 | N | 37.6 | Very low | 58.3 | Low | 162 Ų | 162 | 97.9 Ų | 97.9 | 87% | 0.866 | 55% | 0.545 | S | S | * | . | trans | -97.4 | 55.9 | -165.8 | -64.3 | 21.1 | 0 | 0 | 0 | 111.5 | N4 | N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | N | 48.4 | Very low | 60.9 | Low | 156 Ų | 156 | 90.4 Ų | 90.4 | 83% | 0.834 | 50% | 0.504 | S | S | * | . | trans | -80.1 | 83 | 174.8 | -75 | 1.4 | 0 | 0 | 0 | 109.5 | M1 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.66Å | ||
| 4 | N | 44.9 | Very low | 63.2 | Low | 140 Ų | 140 | 87.6 Ų | 87.6 | 75% | 0.749 | 48% | 0.484 | S | S | * | . | trans | -131 | 50.8 | 174 | -142.8 | -9.6 | 0 | 0 | 0 | 110.9 | N2 V6 | N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.07Å; N4-V6 PolarHBondContact O-N 2.77Å | ||
| 5 | L | 53.1 | Low | 65.2 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | trans | -78.8 | 111.4 | 163.7 | -65.8 | 178.9 | 0 | 0 | 0 | 107.5 | V10 C86 | L5-V10 HydrophobicContact CB-CG2 4.15Å; L5-V10 WeakPolarHBondContact O-CG2 3.25Å; L5-C86 WeakPolarHBondContact CD2-O 3.29Å | ||
| 6 | V | 48.5 | Very low | 66.9 | Low | 110 Ų | 110 | 77.3 Ų | 77.3 | 67% | 0.667 | 43% | 0.429 | S | S | * | . | trans | -75.1 | 166 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | N4 | N4-V6 PolarHBondContact O-N 2.77Š| ||
| 7 | G | 62.3 | Low | 68.4 | Low | 57 Ų | 57 | 74.8 Ų | 74.8 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 159 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | E9 | G7-E9 PolarHBondContact O-N 3.19Š|
| 8 | D | 58.3 | Low | 69.8 | Low | 110 Ų | 110 | 70.8 Ų | 70.8 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -30.4 | -172.1 | -151.2 | -94.8 | 0 | 0 | 0 | 116.8 | V10 K58 | D8-V10 VanDerWaalsContact C-N 3.34Å; D8-K58 VanDerWaalsContact O-CE 3.3Å; D8-K58 WeakPolarHBondContact O-CE 3.43Å; D8-K58 PolarHBondContact O-NZ 3.08Å; D8-K58 IonicContact OD1-NZ 3.39Å; D8-K58 PolarHBondContact OD1-NZ 2.86Å; D8-K58 IonicContact OD2-NZ 3.04Å; D8-K58 PolarHBondContact OD2-NZ 3.05Å |
| 9 | E | 65.8 | Low | 71 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -84.7 | -11.6 | 171.3 | -60 | -170.8 | 132.7 | 0 | 0 | 112.6 | G7 G11 K12 P88 | G7-E9 PolarHBondContact O-N 3.19Å; E9-G11 PolarHBondContact O-N 2.82Å; E9-K12 HydrophobicContact CG-CD 4.35Å; E9-K12 WeakPolarHBondContact O-CB 3.2Å; E9-K12 PolarHBondContact O-N 3.04Å; E9-P88 WeakPolarHBondContact OE2-CA 3.48Å; E9-P88 WeakPolarHBondContact OE2-CB 3.32Å; E9-P88 WeakPolarHBondContact OE2-CG 3.2Å |
| 10 | V | 73.3 | Confident | 72 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 124 | 163.9 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | L5 D8 K12 P62 | L5-V10 HydrophobicContact CB-CG2 4.15Å; L5-V10 WeakPolarHBondContact O-CG2 3.25Å; D8-V10 VanDerWaalsContact C-N 3.34Å; V10-K12 VanDerWaalsContact C-N 3.31Å; V10-P62 HydrophobicContact CG1-CB 3.68Å; V10-P62 HydrophobicContact CG1-CG 4.04Å |
| 11 | G | 81.3 | Confident | 72.8 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | E9 F59 V65 | E9-G11 PolarHBondContact O-N 2.82Å; G11-F59 PolarHBondContact O-N 3.37Å; G11-V65 VanDerWaalsContact C-CG2 3.47Å; G11-V65 WeakPolarHBondContact O-CG2 3.31Å |
| 12 | K | 89.8 | Confident | 75.4 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134 | 176.4 | -161.5 | 173.7 | -177.1 | 173.4 | 0 | 112.1 | E9 V10 V57 C86 | E9-K12 HydrophobicContact CG-CD 4.35Å; E9-K12 WeakPolarHBondContact O-CB 3.2Å; E9-K12 PolarHBondContact O-N 3.04Å; V10-K12 VanDerWaalsContact C-N 3.31Å; K12-V57 WeakPolarHBondContact CA-O 3.39Å; K12-C86 HydrophobicContact CB-CB 3.86Å; K12-C86 HydrophobicContact CD-CB 4.28Å; K12-C86 HydrophobicContact CG-CB 3.88Å; K12-C86 WeakPolarHBondContact O-CB 3.34Å; K12-C86 PolarHBondContact O-N 3.31Å |
| 13 | L | 91.6 | Very high | 78 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.9 | -177.5 | -171.8 | 76.6 | 0 | 0 | 0 | 109.3 | V15 F31 F56 V57 F59 V65 V68 L69 P83 K84 | L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 4.13Å; L13-F31 HydrophobicContact CD2-CD1 4.25Å; L13-F31 HydrophobicContact CD2-CE1 3.85Å; L13-F31 HydrophobicContact CD2-CZ 4.2Å; L13-F56 CarbonylContact O-C 3.53Å; L13-F56 VanDerWaalsContact O-CA 3.29Å; L13-F56 WeakPolarHBondContact O-CA 3.42Å; L13-V57 HydrophobicContact CB-CB 4.46Å; L13-V57 PolarHBondContact N-O 3.17Å; L13-V57 PolarHBondContact O-N 3.42Å; L13-F59 HydrophobicContact CD2-CE2 4.26Å; L13-V65 HydrophobicContact CB-CG2 4.47Å; L13-V65 HydrophobicContact CD1-CG1 3.93Å; L13-V68 HydrophobicContact CD1-CG1 4.39Å; L13-V68 HydrophobicContact CD2-CG1 3.81Å; L13-L69 HydrophobicContact CD1-CD2 4.17Å; L13-L69 HydrophobicContact CD1-CG 4.29Å; L13-P83 HydrophobicContact CD1-CB 3.98Å; L13-P83 HydrophobicContact CD2-CB 3.74Å; L13-P83 HydrophobicContact CG-CB 4.04Å; L13-K84 WeakPolarHBondContact CD1-O 3.3Å |
| 14 | F | 93.4 | Very high | 80.1 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 23% | 0.228 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.6 | 163.3 | 169.1 | -88 | 0 | 0 | 0 | 108.5 | F54 F56 P83 K84 | F14-F54 HydrophobicContact CD2-CD2 4.36Å; F14-F54 HydrophobicContact CE2-CB 4.08Å; F14-F54 AromaticContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CE2 4.25Å; F14-F54 HydrophobicContact CE2-CG 4.07Å; F14-F54 HydrophobicContact CZ-CB 3.99Å; F14-F54 HydrophobicContact CZ-CD2 4.26Å; F14-F54 HydrophobicContact CZ-CG 4.34Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.25Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.12Å; F14-P83 CarbonylContact O-C 3.51Å; F14-P83 VanDerWaalsContact O-CA 3.3Å; F14-P83 WeakPolarHBondContact O-CA 3.41Å; F14-K84 HydrophobicContact CD1-CB 4.27Å; F14-K84 PolarHBondContact N-O 3.29Å; F14-K84 PolarHBondContact O-N 3.21Å |
| 15 | V | 93.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.2 | 176.5 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | L13 L18 L27 F31 F54 G55 V57 I81 | L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 4.13Å; V15-L18 HydrophobicContact CB-CD2 4.32Å; V15-L18 HydrophobicContact CG1-CD2 3.59Å; V15-L18 HydrophobicContact CG1-CG 4.42Å; V15-L27 HydrophobicContact CG1-CD1 4.47Å; V15-F31 HydrophobicContact CB-CE2 4.44Å; V15-F31 HydrophobicContact CG1-CE2 3.92Å; V15-F31 HydrophobicContact CG1-CZ 3.93Å; V15-F31 HydrophobicContact CG2-CE2 3.76Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; V15-F54 CarbonylContact O-C 3.52Å; V15-F54 WeakPolarHBondContact O-CA 3.42Å; V15-F54 WeakPolarHBondContact O-CB 3.39Å; V15-G55 PolarHBondContact N-O 2.83Å; V15-G55 PolarHBondContact O-N 2.98Å; V15-V57 HydrophobicContact CG2-CG2 3.97Å; V15-I81 HydrophobicContact CG1-CB 4.14Å; V15-I81 HydrophobicContact CG1-CD1 3.94Å; V15-I81 HydrophobicContact CG1-CG1 4.34Å |
| 16 | G | 92.9 | Very high | 84.3 | Confident | 9 Ų | 9 | 57 Ų | 57 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 162.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L18 I81 D82 | G16-L18 VanDerWaalsContact C-N 3.34Å; G16-I81 CarbonylContact O-C 3.55Å; G16-I81 WeakPolarHBondContact O-CA 3.43Å; G16-D82 PolarHBondContact N-O 3.07Å; G16-D82 PolarHBondContact O-N 3.07Å |
| 17 | G | 91.6 | Very high | 86.5 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 80.9 | 11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G53 R79 | G17-G53 PolarHBondContact N-O 2.97Å; G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.39Å; G17-R79 WeakPolarHBondContact O-CG 3.35Å |
| 18 | L | 93.4 | Very high | 88 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | trans | -57.9 | 151.2 | 172.1 | -53.7 | -174 | 0 | 0 | 0 | 110.3 | V15 G16 T22 L27 I42 G53 L76 I81 | V15-L18 HydrophobicContact CB-CD2 4.32Å; V15-L18 HydrophobicContact CG1-CD2 3.59Å; V15-L18 HydrophobicContact CG1-CG 4.42Å; G16-L18 VanDerWaalsContact C-N 3.34Å; L18-T22 HydrophobicContact CB-CG2 4.37Å; L18-T22 HydrophobicContact CD1-CG2 4.44Å; L18-T22 HydrophobicContact CD2-CG2 4.5Å; L18-L27 HydrophobicContact CD1-CD1 4.01Å; L18-L27 HydrophobicContact CD1-CD2 4.17Å; L18-L27 HydrophobicContact CD2-CD1 3.63Å; L18-L27 HydrophobicContact CG-CD1 4.5Å; L18-I42 HydrophobicContact CD1-CD1 4.12Å; L18-I42 HydrophobicContact CD1-CG1 4.02Å; L18-G53 PolarHBondContact N-O 2.7Å; L18-G53 VanDerWaalsContact O-CA 3.32Å; L18-G53 WeakPolarHBondContact O-CA 3.42Å; L18-L76 HydrophobicContact CD2-CD2 4.14Å; L18-I81 HydrophobicContact CD2-CB 4.34Å; L18-I81 HydrophobicContact CD2-CG2 3.81Å | ||
| 19 | D | 93 | Very high | 89.7 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | trans | -72.8 | 166.4 | 171.7 | -163.9 | -100.1 | 0 | 0 | 0 | 111.5 | S21 T22 S51 D77 R79 | D19-S21 VanDerWaalsContact C-N 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.26Å; D19-S21 PolarHBondContact OD1-OG 3.37Å; D19-T22 WeakPolarHBondContact CB-OG1 3.15Å; D19-T22 PolarHBondContact N-OG1 3.26Å; D19-S51 PolarHBondContact O-OG 3.37Å; D19-D77 HydrophobicContact CB-CB 4.37Å; D19-R79 IonicContact OD2-CZ 2.77Å; D19-R79 IonicContact OD2-NH1 2.63Å; D19-R79 PolarHBondContact OD2-NH1 3.2Å | ||
| 20 | W | 90.6 | Very high | 91 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 63% | 0.625 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.8 | -24.4 | 172.9 | -58.8 | -32.6 | 0 | 0 | 0 | 112.5 | S51 | W20-S51 WeakPolarHBondContact O-CB 3.26Š|
| 21 | S | 88.9 | Confident | 92 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 56% | 0.559 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -82.8 | -23.3 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 114 | D19 T23 | D19-S21 VanDerWaalsContact C-N 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.26Å; D19-S21 PolarHBondContact OD1-OG 3.37Å; S21-T23 PolarHBondContact O-N 3.18Å |
| 22 | T | 90.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | trans | -51.5 | 128.4 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | L18 D19 L27 I42 L76 D77 | L18-T22 HydrophobicContact CB-CG2 4.37Å; L18-T22 HydrophobicContact CD1-CG2 4.44Å; L18-T22 HydrophobicContact CD2-CG2 4.5Å; D19-T22 WeakPolarHBondContact CB-OG1 3.15Å; D19-T22 PolarHBondContact N-OG1 3.26Å; T22-L27 HydrophobicContact CG2-CB 4.34Å; T22-I42 HydrophobicContact CG2-CD1 3.88Å; T22-I42 WeakPolarHBondContact O-CD1 3.3Å; T22-L76 HydrophobicContact CG2-CD2 3.66Å; T22-L76 HydrophobicContact CG2-CG 4.45Å; T22-D77 VanDerWaalsContact CA-OD2 3.23Å; T22-D77 WeakPolarHBondContact CA-OD2 3.42Å; T22-D77 WeakPolarHBondContact CB-OD2 3.5Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.4Å; T22-D77 PolarHBondContact OG1-OD2 2.87Å | ||
| 23 | T | 92.9 | Very high | 92.7 | Very high | 64 Ų | 64 | 59.5 Ų | 59.5 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | trans | -103.2 | 164.8 | 179.7 | 75.1 | 0 | 0 | 0 | 0 | 111.1 | S21 E25 T26 L27 I42 | S21-T23 PolarHBondContact O-N 3.18Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-E25 PolarHBondContact OG1-N 3.04Å; T23-T26 PolarHBondContact N-OG1 3.16Å; T23-T26 VanDerWaalsContact N-OG1 3.11Å; T23-T26 PolarHBondContact O-N 2.89Å; T23-T26 PolarHBondContact O-OG1 3.39Å; T23-T26 PolarHBondContact OG1-N 3.22Å; T23-T26 VanDerWaalsContact OG1-N 3.09Å; T23-L27 VanDerWaalsContact O-CB 3.27Å; T23-L27 WeakPolarHBondContact O-CB 3.19Å; T23-L27 PolarHBondContact O-N 3.07Å; T23-I42 WeakPolarHBondContact O-CD1 3.17Å | ||
| 24 | Q | 92.6 | Very high | 92.7 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.5 | -34.3 | 171.9 | -175.7 | -176 | 43.2 | 0 | 0 | 111.1 | R28 C40 | Q24-R28 WeakPolarHBondContact O-CB 3.18Å; Q24-R28 PolarHBondContact O-N 3.22Å; Q24-C40 WeakPolarHBondContact CG-O 3.15Å; Q24-C40 VanDerWaalsContact CG-SG 3.57Å; Q24-C40 PolarHBondContact NE2-O 2.63Å |
| 25 | E | 92.9 | Very high | 92.6 | Very high | 154 Ų | 154 | 59.9 Ų | 59.9 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -74.3 | -46.5 | -179.9 | -174.1 | 173.1 | -157.9 | 0 | 0 | 112.8 | T23 L27 R28 N29 | T23-E25 PolarHBondContact O-N 3.14Å; T23-E25 PolarHBondContact OG1-N 3.04Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.49Å; E25-R28 PolarHBondContact O-N 3.37Å; E25-N29 VanDerWaalsContact O-CB 3.31Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.32Å |
| 26 | T | 93.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.301 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 111 | T23 Y30 D77 | T23-T26 PolarHBondContact N-OG1 3.16Å; T23-T26 VanDerWaalsContact N-OG1 3.11Å; T23-T26 PolarHBondContact O-N 2.89Å; T23-T26 PolarHBondContact O-OG1 3.39Å; T23-T26 PolarHBondContact OG1-N 3.22Å; T23-T26 VanDerWaalsContact OG1-N 3.09Å; T26-Y30 WeakPolarHBondContact O-CB 3.34Å; T26-Y30 PolarHBondContact O-N 3.37Å; T26-D77 PolarHBondContact OG1-OD2 2.92Å |
| 27 | L | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 172.8 | -172 | 70.8 | 0 | 0 | 0 | 112.1 | V15 L18 T22 T23 E25 F31 I42 V57 L76 | V15-L27 HydrophobicContact CG1-CD1 4.47Å; L18-L27 HydrophobicContact CD1-CD1 4.01Å; L18-L27 HydrophobicContact CD1-CD2 4.17Å; L18-L27 HydrophobicContact CD2-CD1 3.63Å; L18-L27 HydrophobicContact CG-CD1 4.5Å; T22-L27 HydrophobicContact CG2-CB 4.34Å; T23-L27 VanDerWaalsContact O-CB 3.27Å; T23-L27 WeakPolarHBondContact O-CB 3.19Å; T23-L27 PolarHBondContact O-N 3.07Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.49Å; L27-F31 HydrophobicContact CD1-CD2 3.83Å; L27-F31 HydrophobicContact CD1-CE2 3.61Å; L27-F31 HydrophobicContact CG-CD2 4.18Å; L27-F31 HydrophobicContact CG-CE2 4.43Å; L27-F31 WeakPolarHBondContact O-CD2 3.3Å; L27-F31 PolarHBondContact O-N 2.91Å; L27-I42 HydrophobicContact CB-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CD1 4.21Å; L27-I42 HydrophobicContact CD2-CG1 3.76Å; L27-V57 HydrophobicContact CD1-CG2 4.48Å; L27-V57 HydrophobicContact CD2-CG2 3.94Å; L27-V57 HydrophobicContact CG-CG2 4.03Å; L27-L76 HydrophobicContact CD1-CD2 3.93Å |
| 28 | R | 94.2 | Very high | 92.7 | Very high | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 178.9 | -171 | -178.9 | -173.8 | -156 | 1 | 111.5 | Q24 E25 Y30 F31 S32 V37 | Q24-R28 WeakPolarHBondContact O-CB 3.18Å; Q24-R28 PolarHBondContact O-N 3.22Å; E25-R28 PolarHBondContact O-N 3.37Å; R28-Y30 VanDerWaalsContact C-N 3.33Å; R28-Y30 PolarHBondContact O-N 2.96Å; R28-F31 PolarHBondContact O-N 3.01Å; R28-S32 VanDerWaalsContact O-CB 3.31Å; R28-S32 WeakPolarHBondContact O-CB 3.42Å; R28-S32 PolarHBondContact O-N 3.11Å; R28-V37 HydrophobicContact CG-CB 4.06Å; R28-V37 HydrophobicContact CG-CG1 4.01Å; R28-V37 PolarHBondContact NH2-O 3.49Å |
| 29 | N | 94.2 | Very high | 92.6 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | -178 | -170.8 | 41.7 | 0 | 0 | 0 | 111 | E25 S32 | E25-N29 VanDerWaalsContact O-CB 3.31Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.32Å; N29-S32 PolarHBondContact O-N 3.2Å |
| 30 | Y | 93.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 69 Ų | 69 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 174.6 | -177.6 | -94.6 | 0 | 0 | 0 | 112.3 | T26 R28 S32 Q33 Y34 H74 N75 L76 I81 | T26-Y30 WeakPolarHBondContact O-CB 3.34Å; T26-Y30 PolarHBondContact O-N 3.37Å; R28-Y30 VanDerWaalsContact C-N 3.33Å; R28-Y30 PolarHBondContact O-N 2.96Å; Y30-S32 VanDerWaalsContact C-N 3.27Å; Y30-S32 PolarHBondContact O-N 3.03Å; Y30-Q33 VanDerWaalsContact O-CG 3.29Å; Y30-Q33 WeakPolarHBondContact O-CG 3.29Å; Y30-Q33 PolarHBondContact O-N 2.69Å; Y30-Q33 PolarHBondContact O-NE2 3.18Å; Y30-Y34 AromaticContact CE1-CE2 3.99Å; Y30-Y34 HydrophobicContact CE1-CE2 3.99Å; Y30-Y34 PolarHBondContact OH-OH 3.49Å; Y30-H74 HydrophobicContact CE1-CB 4.29Å; Y30-H74 AromaticContact CE1-ND1 3.88Å; Y30-H74 AromaticContact CZ-ND1 3.93Å; Y30-H74 WeakPolarHBondContact OH-CB 3.38Å; Y30-H74 PolarHBondContact OH-ND1 3.16Å; Y30-H74 VanDerWaalsContact OH-ND1 3.08Å; Y30-N75 VanDerWaalsContact CE2-O 3.23Å; Y30-N75 WeakPolarHBondContact CE2-O 3.49Å; Y30-L76 HydrophobicContact CD2-CD1 4.01Å; Y30-L76 HydrophobicContact CG-CD1 3.87Å; Y30-I81 HydrophobicContact CD1-CD1 4.2Å; Y30-I81 HydrophobicContact CE1-CD1 3.92Å |
| 31 | F | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72 | -21.1 | -178.7 | -79.3 | -68.2 | 0 | 0 | 0 | 113.8 | L13 V15 L27 R28 Q33 Y34 V37 V57 F59 V68 I81 P83 | L13-F31 HydrophobicContact CD2-CD1 4.25Å; L13-F31 HydrophobicContact CD2-CE1 3.85Å; L13-F31 HydrophobicContact CD2-CZ 4.2Å; V15-F31 HydrophobicContact CB-CE2 4.44Å; V15-F31 HydrophobicContact CG1-CE2 3.92Å; V15-F31 HydrophobicContact CG1-CZ 3.93Å; V15-F31 HydrophobicContact CG2-CE2 3.76Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; L27-F31 HydrophobicContact CD1-CD2 3.83Å; L27-F31 HydrophobicContact CD1-CE2 3.61Å; L27-F31 HydrophobicContact CG-CD2 4.18Å; L27-F31 HydrophobicContact CG-CE2 4.43Å; L27-F31 WeakPolarHBondContact O-CD2 3.3Å; L27-F31 PolarHBondContact O-N 2.91Å; R28-F31 PolarHBondContact O-N 3.01Å; F31-Q33 PolarHBondContact O-N 3.28Å; F31-Q33 VanDerWaalsContact O-N 3.13Å; F31-Y34 AromaticContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CE2 4.26Å; F31-Y34 PolarHBondContact O-N 3.07Å; F31-V37 HydrophobicContact CB-CG2 3.97Å; F31-V57 HydrophobicContact CB-CG1 4.07Å; F31-V57 HydrophobicContact CD2-CG2 3.81Å; F31-V57 HydrophobicContact CE2-CG2 4.3Å; F31-V57 HydrophobicContact CG-CG1 4.34Å; F31-V57 HydrophobicContact CG-CG2 4.33Å; F31-F59 HydrophobicContact CB-CE1 4.38Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 HydrophobicContact CD1-CZ 4.04Å; F31-F59 HydrophobicContact CG-CZ 4.34Å; F31-F59 WeakPolarHBondContact O-CE1 3.31Å; F31-V68 HydrophobicContact CD1-CG1 4.42Å; F31-V68 HydrophobicContact CD1-CG2 4.05Å; F31-V68 HydrophobicContact CE1-CG1 3.76Å; F31-V68 HydrophobicContact CE1-CG2 4.2Å; F31-I81 HydrophobicContact CE2-CD1 3.89Å; F31-I81 HydrophobicContact CZ-CD1 3.68Å; F31-P83 HydrophobicContact CZ-CB 4.49Å |
| 32 | S | 93.5 | Very high | 92.9 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.8 | 175.8 | -163 | 0 | 0 | 0 | 0 | 114.1 | R28 N29 Y30 Y34 G35 | R28-S32 VanDerWaalsContact O-CB 3.31Å; R28-S32 WeakPolarHBondContact O-CB 3.42Å; R28-S32 PolarHBondContact O-N 3.11Å; N29-S32 PolarHBondContact O-N 3.2Å; Y30-S32 VanDerWaalsContact C-N 3.27Å; Y30-S32 PolarHBondContact O-N 3.03Å; S32-Y34 PolarHBondContact O-N 3Å; S32-G35 WeakPolarHBondContact CA-O 3.31Å |
| 33 | Q | 92.5 | Very high | 93 | Very high | 121 Ų | 121 | 62.9 Ų | 62.9 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.6 | 173 | 83.8 | -168.5 | -93.3 | 0 | 0 | 113 | Y30 F31 | Y30-Q33 VanDerWaalsContact O-CG 3.29Å; Y30-Q33 WeakPolarHBondContact O-CG 3.29Å; Y30-Q33 PolarHBondContact O-N 2.69Å; Y30-Q33 PolarHBondContact O-NE2 3.18Å; F31-Q33 PolarHBondContact O-N 3.28Å; F31-Q33 VanDerWaalsContact O-N 3.13Å |
| 34 | Y | 91 | Very high | 92.9 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -101.5 | -10 | -178.5 | -54.1 | -76.5 | 0 | 0 | 0 | 113.5 | Y30 F31 S32 C64 T67 V68 T71 H74 | Y30-Y34 AromaticContact CE1-CE2 3.99Å; Y30-Y34 HydrophobicContact CE1-CE2 3.99Å; Y30-Y34 PolarHBondContact OH-OH 3.49Å; F31-Y34 AromaticContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CE2 4.26Å; F31-Y34 PolarHBondContact O-N 3.07Å; S32-Y34 PolarHBondContact O-N 3Å; Y34-C64 PolarHBondContact O-SG 2.93Å; Y34-T67 HydrophobicContact CD1-CG2 4.49Å; Y34-V68 HydrophobicContact CD1-CG2 4.15Å; Y34-V68 HydrophobicContact CD2-CG2 3.59Å; Y34-V68 HydrophobicContact CE2-CG2 4.23Å; Y34-V68 HydrophobicContact CG-CG2 3.54Å; Y34-T71 HydrophobicContact CE1-CG2 4.13Å; Y34-H74 AromaticContact CZ-CE1 3.73Å; Y34-H74 AromaticContact CZ-ND1 3.86Å; Y34-H74 PolarHBondContact OH-CE1 2.96Å; Y34-H74 PolarHBondContact OH-ND1 3.1Å; Y34-H74 VanDerWaalsContact OH-ND1 3.14Å |
| 35 | G | 91.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 153.5 | 172.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S32 V37 | S32-G35 WeakPolarHBondContact CA-O 3.31Å; G35-V37 PolarHBondContact O-N 2.77Å |
| 36 | E | 93.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 64.9 Ų | 64.9 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | trans | -68.5 | 114.7 | -176 | -168.3 | 179.6 | 139.2 | 0 | 0 | 111.7 | F59 K60 | E36-F59 WeakPolarHBondContact O-CA 3.39Å; E36-K60 HydrophobicContact CB-CB 4.09Å; E36-K60 HydrophobicContact CB-CD 4.09Å; E36-K60 HydrophobicContact CG-CD 4.07Å; E36-K60 PolarHBondContact O-N 3.02Å; E36-K60 VanDerWaalsContact OE1-CD 3.25Å; E36-K60 WeakPolarHBondContact OE1-CD 3.03Å; E36-K60 IonicContact OE1-NZ 2.77Å; E36-K60 PolarHBondContact OE1-NZ 3.25Å; E36-K60 VanDerWaalsContact OE2-CD 3.29Å; E36-K60 WeakPolarHBondContact OE2-CD 3.45Å; E36-K60 IonicContact OE2-NZ 2.66Å; E36-K60 PolarHBondContact OE2-NZ 2.9Å | ||
| 37 | V | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 113.2 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | R28 F31 G35 D39 C40 V57 F59 | R28-V37 HydrophobicContact CG-CB 4.06Å; R28-V37 HydrophobicContact CG-CG1 4.01Å; R28-V37 PolarHBondContact NH2-O 3.49Å; F31-V37 HydrophobicContact CB-CG2 3.97Å; G35-V37 PolarHBondContact O-N 2.77Å; V37-D39 WeakPolarHBondContact CG1-O 3.19Å; V37-C40 HydrophobicContact CG1-CB 4.03Å; V37-V57 HydrophobicContact CG1-CG1 3.79Å; V37-V57 HydrophobicContact CG2-CG1 3.91Å; V37-F59 HydrophobicContact CG2-CD1 4.07Å; V37-F59 HydrophobicContact CG2-CE1 3.77Å; V37-F59 HydrophobicContact CG2-CZ 4.43Å |
| 38 | V | 92.4 | Very high | 92.1 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 53% | 0.527 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -44.2 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | K58 K60 | V38-K58 PolarHBondContact N-O 2.95Å; V38-K60 HydrophobicContact CG2-CB 3.65Å; V38-K60 HydrophobicContact CG2-CG 4.3Å |
| 39 | D | 90.7 | Very high | 91.8 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.2 | 176.9 | 174.9 | 41.9 | 0 | 0 | 0 | 110.2 | V37 K58 | V37-D39 WeakPolarHBondContact CG1-O 3.19Å; D39-K58 HydrophobicContact CB-CB 4.15Å; D39-K58 PolarHBondContact N-O 2.77Å; D39-K58 PolarHBondContact O-N 2.88Å |
| 40 | C | 92.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.034 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 134.5 | 171.6 | 53.3 | 0 | 0 | 0 | 0 | 110 | Q24 V37 F56 V57 | Q24-C40 WeakPolarHBondContact CG-O 3.15Å; Q24-C40 VanDerWaalsContact CG-SG 3.57Å; Q24-C40 PolarHBondContact NE2-O 2.63Å; V37-C40 HydrophobicContact CG1-CB 4.03Å; C40-F56 CarbonylContact C-O 3.6Å; C40-F56 VanDerWaalsContact CA-O 3.26Å; C40-F56 WeakPolarHBondContact CA-O 3.21Å; C40-V57 HydrophobicContact CB-CG2 4.2Å |
| 41 | V | 92.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 67.8 Ų | 67.8 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 116.9 | -173.5 | -179.3 | 0 | 0 | 0 | 0 | 110 | M43 G55 F56 | V41-M43 HydrophobicContact CG1-SD 4.42Å; V41-G55 CarbonylContact O-C 3.52Å; V41-G55 WeakPolarHBondContact O-CA 3.38Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 3.41Å |
| 42 | I | 93.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 74.4 Ų | 74.4 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.2 | 168.4 | -65.1 | -175.9 | 0 | 0 | 0 | 108.9 | L18 T22 T23 L27 K44 | L18-I42 HydrophobicContact CD1-CD1 4.12Å; L18-I42 HydrophobicContact CD1-CG1 4.02Å; T22-I42 HydrophobicContact CG2-CD1 3.88Å; T22-I42 WeakPolarHBondContact O-CD1 3.3Å; T23-I42 WeakPolarHBondContact O-CD1 3.17Å; L27-I42 HydrophobicContact CB-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CD1 4.21Å; L27-I42 HydrophobicContact CD2-CG1 3.76Å; I42-K44 PolarHBondContact O-N 3.14Å |
| 43 | M | 92.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 72.1 Ų | 72.1 | 23% | 0.232 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 108.2 | -179.5 | -69.8 | -62.9 | -59.7 | 0 | 0 | 109.4 | V41 R52 F54 F56 | V41-M43 HydrophobicContact CG1-SD 4.42Å; M43-R52 WeakPolarHBondContact O-CB 3.33Å; M43-R52 WeakPolarHBondContact O-CG 3.46Å; M43-R52 PolarHBondContact O-N 3.33Å; M43-F54 HydrophobicContact CB-CD2 4.08Å; M43-F54 HydrophobicContact CB-CE1 4.21Å; M43-F54 HydrophobicContact CB-CE2 3.67Å; M43-F54 HydrophobicContact CB-CZ 3.73Å; M43-F54 HydrophobicContact CG-CD2 4.01Å; M43-F54 HydrophobicContact CG-CE2 3.5Å; M43-F54 HydrophobicContact CG-CZ 4Å; M43-F54 PolarHBondContact N-O 2.75Å; M43-F56 HydrophobicContact CG-CD2 4.18Å; M43-F56 HydrophobicContact CG-CE2 3.92Å; M43-F56 HydrophobicContact SD-CE2 4.3Å |
| 44 | K | 92.6 | Very high | 91.2 | Very high | 120 Ų | 120 | 68.5 Ų | 68.5 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 158 | 175.2 | -66.4 | 175.3 | 173.9 | -171.1 | 0 | 111.6 | I42 N49 Q50 R52 | I42-K44 PolarHBondContact O-N 3.14Å; K44-N49 WeakPolarHBondContact CD-O 3.24Å; K44-Q50 CarbonylContact C-O 3.45Å; K44-Q50 WeakPolarHBondContact CA-O 3.35Å; K44-R52 WeakPolarHBondContact O-CD 3.36Å |
| 45 | D | 90.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | trans | -75.5 | 133.6 | 168.3 | -172.8 | -70.6 | 0 | 0 | 0 | 109.8 | T47 T48 N49 Q50 R52 | D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.44Å; D45-T47 WeakPolarHBondContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CB 3.29Å; D45-T47 PolarHBondContact OD1-N 2.78Å; D45-T47 PolarHBondContact OD1-OG1 2.8Å; D45-T48 PolarHBondContact OD1-N 2.89Å; D45-N49 WeakPolarHBondContact O-CA 3.27Å; D45-N49 PolarHBondContact O-N 3.33Å; D45-Q50 PolarHBondContact N-O 3.37Å; D45-R52 HydrophobicContact CB-CG 4.42Å | ||
| 46 | K | 88.3 | Confident | 91.5 | Very high | 202 Ų | 202 | 67.6 Ų | 67.6 | 88% | 0.878 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.5 | -176.2 | -69.3 | -173.2 | 175.5 | -173.8 | 0 | 114 | ||
| 47 | T | 88.3 | Confident | 91.6 | Very high | 104 Ų | 104 | 62.7 Ų | 62.7 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -33.3 | -177.6 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | D45 | D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.44Å; D45-T47 WeakPolarHBondContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CB 3.29Å; D45-T47 PolarHBondContact OD1-N 2.78Å; D45-T47 PolarHBondContact OD1-OG1 2.8Å |
| 48 | T | 88.1 | Confident | 91.4 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -9.1 | -179.1 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | D45 Q50 | D45-T48 PolarHBondContact OD1-N 2.89Å; T48-Q50 PolarHBondContact O-N 3.41Å; T48-Q50 WeakPolarHBondContact OG1-CB 3.35Å; T48-Q50 PolarHBondContact OG1-N 3.13Å |
| 49 | N | 88.1 | Confident | 91.5 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | trans | 55.8 | 9.3 | -170.7 | -75.2 | -77.5 | 0 | 0 | 0 | 115.5 | K44 D45 | K44-N49 WeakPolarHBondContact CD-O 3.24Å; D45-N49 WeakPolarHBondContact O-CA 3.27Å; D45-N49 PolarHBondContact O-N 3.33Å | ||
| 50 | Q | 87.9 | Confident | 91.5 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | trans | -71.7 | 143 | 177.2 | -167.3 | 178.1 | 9.9 | 0 | 0 | 111.1 | K44 D45 T48 R52 | K44-Q50 CarbonylContact C-O 3.45Å; K44-Q50 WeakPolarHBondContact CA-O 3.35Å; D45-Q50 PolarHBondContact N-O 3.37Å; T48-Q50 PolarHBondContact O-N 3.41Å; T48-Q50 WeakPolarHBondContact OG1-CB 3.35Å; T48-Q50 PolarHBondContact OG1-N 3.13Å; Q50-R52 PolarHBondContact O-N 3.29Å | ||
| 51 | S | 91.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 133.6 | 170 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | D19 W20 G53 | D19-S51 PolarHBondContact O-OG 3.37Å; W20-S51 WeakPolarHBondContact O-CB 3.26Å; S51-G53 PolarHBondContact O-N 3.38Å; S51-G53 PolarHBondContact OG-N 2.84Å |
| 52 | R | 90.6 | Very high | 91.1 | Very high | 138 Ų | 138 | 66.7 Ų | 66.7 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 8.8 | 176.5 | -60.3 | 169.8 | 60.2 | -176.6 | -2.9 | 112.9 | M43 K44 D45 Q50 F54 | M43-R52 WeakPolarHBondContact O-CB 3.33Å; M43-R52 WeakPolarHBondContact O-CG 3.46Å; M43-R52 PolarHBondContact O-N 3.33Å; K44-R52 WeakPolarHBondContact O-CD 3.36Å; D45-R52 HydrophobicContact CB-CG 4.42Å; Q50-R52 PolarHBondContact O-N 3.29Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 HydrophobicContact CB-CD1 3.85Å; R52-F54 HydrophobicContact CB-CE1 3.64Å; R52-F54 WeakPolarHBondContact O-CD1 3.23Å; R52-F54 PolarHBondContact O-N 3.45Å |
| 53 | G | 91 | Very high | 90.9 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | 19.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G17 L18 S51 | G17-G53 PolarHBondContact N-O 2.97Å; L18-G53 PolarHBondContact N-O 2.7Å; L18-G53 VanDerWaalsContact O-CA 3.32Å; L18-G53 WeakPolarHBondContact O-CA 3.42Å; S51-G53 PolarHBondContact O-N 3.38Å; S51-G53 PolarHBondContact OG-N 2.84Å |
| 54 | F | 94.6 | Very high | 90.7 | Very high | 45 Ų | 45 | 70 Ų | 70 | 20% | 0.197 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.3 | 173.2 | 74.1 | -85.7 | 0 | 0 | 0 | 112.4 | F14 V15 M43 R52 F56 | F14-F54 HydrophobicContact CD2-CD2 4.36Å; F14-F54 HydrophobicContact CE2-CB 4.08Å; F14-F54 AromaticContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CE2 4.25Å; F14-F54 HydrophobicContact CE2-CG 4.07Å; F14-F54 HydrophobicContact CZ-CB 3.99Å; F14-F54 HydrophobicContact CZ-CD2 4.26Å; F14-F54 HydrophobicContact CZ-CG 4.34Å; V15-F54 CarbonylContact O-C 3.52Å; V15-F54 WeakPolarHBondContact O-CA 3.42Å; V15-F54 WeakPolarHBondContact O-CB 3.39Å; M43-F54 HydrophobicContact CB-CD2 4.08Å; M43-F54 HydrophobicContact CB-CE1 4.21Å; M43-F54 HydrophobicContact CB-CE2 3.67Å; M43-F54 HydrophobicContact CB-CZ 3.73Å; M43-F54 HydrophobicContact CG-CD2 4.01Å; M43-F54 HydrophobicContact CG-CE2 3.5Å; M43-F54 HydrophobicContact CG-CZ 4Å; M43-F54 PolarHBondContact N-O 2.75Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 HydrophobicContact CB-CD1 3.85Å; R52-F54 HydrophobicContact CB-CE1 3.64Å; R52-F54 WeakPolarHBondContact O-CD1 3.23Å; R52-F54 PolarHBondContact O-N 3.45Å; F54-F56 HydrophobicContact CE2-CE2 4.3Å |
| 55 | G | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -175.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V15 V41 | V15-G55 PolarHBondContact N-O 2.83Å; V15-G55 PolarHBondContact O-N 2.98Å; V41-G55 CarbonylContact O-C 3.52Å; V41-G55 WeakPolarHBondContact O-CA 3.38Å |
| 56 | F | 94.4 | Very high | 90.4 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 18% | 0.18 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148 | 172.2 | -61.5 | -86.5 | 0 | 0 | 0 | 109.5 | L13 F14 C40 V41 M43 F54 | L13-F56 CarbonylContact O-C 3.53Å; L13-F56 VanDerWaalsContact O-CA 3.29Å; L13-F56 WeakPolarHBondContact O-CA 3.42Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.25Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.12Å; C40-F56 CarbonylContact C-O 3.6Å; C40-F56 VanDerWaalsContact CA-O 3.26Å; C40-F56 WeakPolarHBondContact CA-O 3.21Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 3.41Å; M43-F56 HydrophobicContact CG-CD2 4.18Å; M43-F56 HydrophobicContact CG-CE2 3.92Å; M43-F56 HydrophobicContact SD-CE2 4.3Å; F54-F56 HydrophobicContact CE2-CE2 4.3Å |
| 57 | V | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.8 | 174 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | K12 L13 V15 L27 F31 V37 C40 F59 | K12-V57 WeakPolarHBondContact CA-O 3.39Å; L13-V57 HydrophobicContact CB-CB 4.46Å; L13-V57 PolarHBondContact N-O 3.17Å; L13-V57 PolarHBondContact O-N 3.42Å; V15-V57 HydrophobicContact CG2-CG2 3.97Å; L27-V57 HydrophobicContact CD1-CG2 4.48Å; L27-V57 HydrophobicContact CD2-CG2 3.94Å; L27-V57 HydrophobicContact CG-CG2 4.03Å; F31-V57 HydrophobicContact CB-CG1 4.07Å; F31-V57 HydrophobicContact CD2-CG2 3.81Å; F31-V57 HydrophobicContact CE2-CG2 4.3Å; F31-V57 HydrophobicContact CG-CG1 4.34Å; F31-V57 HydrophobicContact CG-CG2 4.33Å; V37-V57 HydrophobicContact CG1-CG1 3.79Å; V37-V57 HydrophobicContact CG2-CG1 3.91Å; C40-V57 HydrophobicContact CB-CG2 4.2Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 4.1Å; V57-F59 HydrophobicContact CG1-CZ 4.26Å |
| 58 | K | 91.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.9 | 176.9 | -171 | 178 | -179 | 179.3 | 0 | 108.8 | D8 V38 D39 | D8-K58 VanDerWaalsContact O-CE 3.3Å; D8-K58 WeakPolarHBondContact O-CE 3.43Å; D8-K58 PolarHBondContact O-NZ 3.08Å; D8-K58 IonicContact OD1-NZ 3.39Å; D8-K58 PolarHBondContact OD1-NZ 2.86Å; D8-K58 IonicContact OD2-NZ 3.04Å; D8-K58 PolarHBondContact OD2-NZ 3.05Å; V38-K58 PolarHBondContact N-O 2.95Å; D39-K58 HydrophobicContact CB-CB 4.15Å; D39-K58 PolarHBondContact N-O 2.77Å; D39-K58 PolarHBondContact O-N 2.88Å |
| 59 | F | 93.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 155.1 | 173 | -69.2 | -81.6 | 0 | 0 | 0 | 110.8 | G11 L13 F31 E36 V37 V57 D61 C64 V65 V68 | G11-F59 PolarHBondContact O-N 3.37Å; L13-F59 HydrophobicContact CD2-CE2 4.26Å; F31-F59 HydrophobicContact CB-CE1 4.38Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 HydrophobicContact CD1-CZ 4.04Å; F31-F59 HydrophobicContact CG-CZ 4.34Å; F31-F59 WeakPolarHBondContact O-CE1 3.31Å; E36-F59 WeakPolarHBondContact O-CA 3.39Å; V37-F59 HydrophobicContact CG2-CD1 4.07Å; V37-F59 HydrophobicContact CG2-CE1 3.77Å; V37-F59 HydrophobicContact CG2-CZ 4.43Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 4.1Å; V57-F59 HydrophobicContact CG1-CZ 4.26Å; F59-D61 WeakPolarHBondContact CB-O 3.39Å; F59-C64 HydrophobicContact CB-CB 3.98Å; F59-C64 HydrophobicContact CD1-CB 3.6Å; F59-C64 HydrophobicContact CD2-CB 4.02Å; F59-C64 HydrophobicContact CE1-CB 4.02Å; F59-C64 HydrophobicContact CE2-CB 4.39Å; F59-C64 HydrophobicContact CG-CB 3.59Å; F59-C64 HydrophobicContact CZ-CB 4.38Å; F59-V65 HydrophobicContact CD2-CG2 3.88Å; F59-V68 HydrophobicContact CE2-CG2 4.21Å; F59-V68 HydrophobicContact CZ-CG2 4Å |
| 60 | K | 91 | Very high | 90.7 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -65.1 | -48.9 | 167.7 | -171.4 | 167.8 | 178.9 | 173.8 | 0 | 110.8 | E36 V38 | E36-K60 HydrophobicContact CB-CB 4.09Å; E36-K60 HydrophobicContact CB-CD 4.09Å; E36-K60 HydrophobicContact CG-CD 4.07Å; E36-K60 PolarHBondContact O-N 3.02Å; E36-K60 VanDerWaalsContact OE1-CD 3.25Å; E36-K60 WeakPolarHBondContact OE1-CD 3.03Å; E36-K60 IonicContact OE1-NZ 2.77Å; E36-K60 PolarHBondContact OE1-NZ 3.25Å; E36-K60 VanDerWaalsContact OE2-CD 3.29Å; E36-K60 WeakPolarHBondContact OE2-CD 3.45Å; E36-K60 IonicContact OE2-NZ 2.66Å; E36-K60 PolarHBondContact OE2-NZ 2.9Å; V38-K60 HydrophobicContact CG2-CB 3.65Å; V38-K60 HydrophobicContact CG2-CG 4.3Å |
| 61 | D | 89.3 | Confident | 90.6 | Very high | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -98.1 | 121.7 | 178.6 | -66.3 | -74.1 | 0 | 0 | 0 | 110.6 | F59 N63 C64 | F59-D61 WeakPolarHBondContact CB-O 3.39Å; D61-N63 PolarHBondContact O-N 2.76Å; D61-N63 VanDerWaalsContact O-N 3.16Å; D61-C64 WeakPolarHBondContact O-CB 3.4Å; D61-C64 PolarHBondContact O-N 2.87Å |
| 62 | P | 87.1 | Confident | 90.3 | Very high | 60 Ų | 60 | 61 Ų | 61 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.5 | -179 | 27.3 | -34.6 | 0 | 0 | 0 | 113.4 | V10 C64 V65 | V10-P62 HydrophobicContact CG1-CB 3.68Å; V10-P62 HydrophobicContact CG1-CG 4.04Å; P62-C64 VanDerWaalsContact C-N 3.25Å; P62-C64 PolarHBondContact O-N 3.07Å; P62-V65 WeakPolarHBondContact O-CB 3.22Å; P62-V65 PolarHBondContact O-N 2.62Å |
| 63 | N | 88.4 | Confident | 90.1 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.9 | -32.6 | 174.7 | -64.9 | -35.9 | 0 | 0 | 0 | 112.2 | D61 V65 R66 T67 | D61-N63 PolarHBondContact O-N 2.76Å; D61-N63 VanDerWaalsContact O-N 3.16Å; N63-V65 PolarHBondContact O-N 2.85Å; N63-R66 WeakPolarHBondContact O-CB 3.07Å; N63-R66 PolarHBondContact O-N 3.06Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 PolarHBondContact O-OG1 3.47Å |
| 64 | C | 89.3 | Confident | 90 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 10% | 0.095 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -32.4 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | Y34 F59 D61 P62 R66 T67 V68 | Y34-C64 PolarHBondContact O-SG 2.93Å; F59-C64 HydrophobicContact CB-CB 3.98Å; F59-C64 HydrophobicContact CD1-CB 3.6Å; F59-C64 HydrophobicContact CD2-CB 4.02Å; F59-C64 HydrophobicContact CE1-CB 4.02Å; F59-C64 HydrophobicContact CE2-CB 4.39Å; F59-C64 HydrophobicContact CG-CB 3.59Å; F59-C64 HydrophobicContact CZ-CB 4.38Å; D61-C64 WeakPolarHBondContact O-CB 3.4Å; D61-C64 PolarHBondContact O-N 2.87Å; P62-C64 VanDerWaalsContact C-N 3.25Å; P62-C64 PolarHBondContact O-N 3.07Å; C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 2.84Å; C64-T67 PolarHBondContact O-N 3.19Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.14Å |
| 65 | V | 88.6 | Confident | 89.8 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | G11 L13 F59 P62 N63 L69 | G11-V65 VanDerWaalsContact C-CG2 3.47Å; G11-V65 WeakPolarHBondContact O-CG2 3.31Å; L13-V65 HydrophobicContact CB-CG2 4.47Å; L13-V65 HydrophobicContact CD1-CG1 3.93Å; F59-V65 HydrophobicContact CD2-CG2 3.88Å; P62-V65 WeakPolarHBondContact O-CB 3.22Å; P62-V65 PolarHBondContact O-N 2.62Å; N63-V65 PolarHBondContact O-N 2.85Å; V65-L69 HydrophobicContact CG1-CD1 3.85Å; V65-L69 WeakPolarHBondContact O-CD1 3.36Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.23Å; V65-L69 VanDerWaalsContact O-N 3.1Å |
| 66 | R | 87.9 | Confident | 89.6 | Confident | 171 Ų | 171 | 60.9 Ų | 60.9 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -50 | 175.7 | -178.2 | 180 | 172.1 | 165.4 | -2.1 | 110.9 | N63 C64 V68 L69 E70 | N63-R66 WeakPolarHBondContact O-CB 3.07Å; N63-R66 PolarHBondContact O-N 3.06Å; C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 2.84Å; R66-V68 VanDerWaalsContact C-N 3.29Å; R66-V68 PolarHBondContact O-N 2.9Å; R66-L69 PolarHBondContact O-N 2.91Å; R66-E70 IonicContact CZ-OE2 2.62Å; R66-E70 IonicContact NE-OE2 3.72Å; R66-E70 PolarHBondContact NE-OE2 3.36Å; R66-E70 IonicContact NH2-OE1 2.71Å; R66-E70 IonicContact NH2-OE2 2.74Å; R66-E70 PolarHBondContact NH2-OE2 3.44Å; R66-E70 PolarHBondContact O-N 2.88Å |
| 67 | T | 89.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.1 | -45.4 | -179.5 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | Y34 N63 C64 E70 T71 | Y34-T67 HydrophobicContact CD1-CG2 4.49Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 PolarHBondContact O-OG1 3.47Å; C64-T67 PolarHBondContact O-N 3.19Å; T67-E70 PolarHBondContact O-N 2.85Å; T67-T71 WeakPolarHBondContact O-CB 3.21Å; T67-T71 PolarHBondContact O-N 3.03Å; T67-T71 PolarHBondContact O-OG1 3.23Å |
| 68 | V | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L13 F31 Y34 F59 C64 R66 E70 T71 H74 P83 | L13-V68 HydrophobicContact CD1-CG1 4.39Å; L13-V68 HydrophobicContact CD2-CG1 3.81Å; F31-V68 HydrophobicContact CD1-CG1 4.42Å; F31-V68 HydrophobicContact CD1-CG2 4.05Å; F31-V68 HydrophobicContact CE1-CG1 3.76Å; F31-V68 HydrophobicContact CE1-CG2 4.2Å; Y34-V68 HydrophobicContact CD1-CG2 4.15Å; Y34-V68 HydrophobicContact CD2-CG2 3.59Å; Y34-V68 HydrophobicContact CE2-CG2 4.23Å; Y34-V68 HydrophobicContact CG-CG2 3.54Å; F59-V68 HydrophobicContact CE2-CG2 4.21Å; F59-V68 HydrophobicContact CZ-CG2 4Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.14Å; R66-V68 VanDerWaalsContact C-N 3.29Å; R66-V68 PolarHBondContact O-N 2.9Å; V68-E70 PolarHBondContact O-N 2.84Å; V68-T71 PolarHBondContact O-N 3.44Å; V68-H74 PolarHBondContact O-CE1 3.49Å; V68-H74 PolarHBondContact O-NE2 3.35Å; V68-P83 HydrophobicContact CG1-CB 3.71Å; V68-P83 HydrophobicContact CG1-CG 3.65Å |
| 69 | L | 89.3 | Confident | 88.6 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -25.9 | -177 | -67.5 | 168.5 | 0 | 0 | 0 | 114 | L13 V65 R66 P83 P85 | L13-L69 HydrophobicContact CD1-CD2 4.17Å; L13-L69 HydrophobicContact CD1-CG 4.29Å; V65-L69 HydrophobicContact CG1-CD1 3.85Å; V65-L69 WeakPolarHBondContact O-CD1 3.36Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.23Å; V65-L69 VanDerWaalsContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 2.91Å; L69-P83 WeakPolarHBondContact CD2-O 3.28Å; L69-P85 HydrophobicContact CD1-CG 3.69Å |
| 70 | E | 89 | Confident | 88.5 | Confident | 134 Ų | 134 | 73.8 Ų | 73.8 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -80.9 | -30.7 | 173.9 | -125.8 | 162.7 | 112.2 | 0 | 0 | 112.1 | R66 T67 V68 K72 | R66-E70 IonicContact CZ-OE2 2.62Å; R66-E70 IonicContact NE-OE2 3.72Å; R66-E70 PolarHBondContact NE-OE2 3.36Å; R66-E70 IonicContact NH2-OE1 2.71Å; R66-E70 IonicContact NH2-OE2 2.74Å; R66-E70 PolarHBondContact NH2-OE2 3.44Å; R66-E70 PolarHBondContact O-N 2.88Å; T67-E70 PolarHBondContact O-N 2.85Å; V68-E70 PolarHBondContact O-N 2.84Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; E70-K72 VanDerWaalsContact O-N 3.11Å |
| 71 | T | 85.7 | Confident | 88.7 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -88.4 | 44.5 | -175.5 | -42.9 | 0 | 0 | 0 | 0 | 113.3 | Y34 T67 V68 H74 | Y34-T71 HydrophobicContact CE1-CG2 4.13Å; T67-T71 WeakPolarHBondContact O-CB 3.21Å; T67-T71 PolarHBondContact O-N 3.03Å; T67-T71 PolarHBondContact O-OG1 3.23Å; V68-T71 PolarHBondContact O-N 3.44Å; T71-H74 PolarHBondContact O-CE1 3.36Å; T71-H74 PolarHBondContact O-NE2 3.39Å |
| 72 | K | 84.7 | Confident | 88.7 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 146.9 | 174.4 | -67.4 | -167.5 | 178 | -165.7 | 0 | 111.4 | E70 D82 P83 | E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; E70-K72 VanDerWaalsContact O-N 3.11Å; K72-D82 IonicContact NZ-OD2 2.82Å; K72-D82 PolarHBondContact NZ-OD2 3.09Å; K72-P83 VanDerWaalsContact CE-O 3.3Å; K72-P83 WeakPolarHBondContact CE-O 3.27Å; K72-P83 PolarHBondContact NZ-O 3.29Å |
| 73 | P | 85.9 | Confident | 88.9 | Confident | 112 Ų | 112 | 64.5 Ų | 64.5 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | cis | -88.1 | 150.6 | 4.6 | 35.1 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 74 | H | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 150.6 | 170.6 | -59.2 | -84 | 0 | 0 | 0 | 111.1 | Y30 Y34 V68 T71 N80 I81 P83 | Y30-H74 HydrophobicContact CE1-CB 4.29Å; Y30-H74 AromaticContact CE1-ND1 3.88Å; Y30-H74 AromaticContact CZ-ND1 3.93Å; Y30-H74 WeakPolarHBondContact OH-CB 3.38Å; Y30-H74 PolarHBondContact OH-ND1 3.16Å; Y30-H74 VanDerWaalsContact OH-ND1 3.08Å; Y34-H74 AromaticContact CZ-CE1 3.73Å; Y34-H74 AromaticContact CZ-ND1 3.86Å; Y34-H74 PolarHBondContact OH-CE1 2.96Å; Y34-H74 PolarHBondContact OH-ND1 3.1Å; Y34-H74 VanDerWaalsContact OH-ND1 3.14Å; V68-H74 PolarHBondContact O-CE1 3.49Å; V68-H74 PolarHBondContact O-NE2 3.35Å; T71-H74 PolarHBondContact O-CE1 3.36Å; T71-H74 PolarHBondContact O-NE2 3.39Å; H74-N80 WeakPolarHBondContact O-CA 3.26Å; H74-N80 PolarHBondContact O-ND2 2.72Å; H74-I81 HydrophobicContact CB-CD1 4.04Å; H74-I81 HydrophobicContact CB-CG1 3.44Å; H74-I81 VanDerWaalsContact CB-CG1 3.44Å; H74-I81 PolarHBondContact O-N 3.31Å; H74-P83 WeakPolarHBondContact CD2-CG 3.5Å; H74-P83 WeakPolarHBondContact NE2-CG 3.44Å |
| 75 | N | 90.2 | Very high | 88.9 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.6 | 171.1 | -169.6 | -74.7 | 0 | 0 | 0 | 109.2 | Y30 G78 R79 N80 | Y30-N75 VanDerWaalsContact CE2-O 3.23Å; Y30-N75 WeakPolarHBondContact CE2-O 3.49Å; N75-G78 PolarHBondContact ND2-O 3.02Å; N75-G78 VanDerWaalsContact OD1-CA 3.28Å; N75-G78 WeakPolarHBondContact OD1-CA 3.48Å; N75-G78 PolarHBondContact OD1-N 2.69Å; N75-R79 CarbonylContact C-O 3.55Å; N75-R79 VanDerWaalsContact CA-O 3.31Å; N75-R79 WeakPolarHBondContact CA-O 3.45Å; N75-R79 VanDerWaalsContact ND2-C 3.31Å; N75-R79 PolarHBondContact ND2-O 3.12Å; N75-R79 PolarHBondContact OD1-N 3.34Å; N75-N80 PolarHBondContact ND2-N 3.29Å |
| 76 | L | 89.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135 | -178.9 | 179.2 | 67.4 | 0 | 0 | 0 | 108.1 | L18 T22 L27 Y30 G78 R79 I81 | L18-L76 HydrophobicContact CD2-CD2 4.14Å; T22-L76 HydrophobicContact CG2-CD2 3.66Å; T22-L76 HydrophobicContact CG2-CG 4.45Å; L27-L76 HydrophobicContact CD1-CD2 3.93Å; Y30-L76 HydrophobicContact CD2-CD1 4.01Å; Y30-L76 HydrophobicContact CG-CD1 3.87Å; L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.12Å; L76-R79 PolarHBondContact N-O 2.84Å; L76-R79 WeakPolarHBondContact O-CA 3.45Å; L76-R79 WeakPolarHBondContact O-CB 3.4Å; L76-R79 PolarHBondContact O-N 3.49Å; L76-R79 VanDerWaalsContact O-O 3.1Å; L76-I81 HydrophobicContact CB-CD1 3.97Å; L76-I81 HydrophobicContact CB-CG2 3.9Å; L76-I81 HydrophobicContact CD2-CD1 4.29Å |
| 77 | D | 86.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.7 | -179 | -51.5 | -34 | 0 | 0 | 0 | 113 | D19 T22 T26 R79 | D19-D77 HydrophobicContact CB-CB 4.37Å; T22-D77 VanDerWaalsContact CA-OD2 3.23Å; T22-D77 WeakPolarHBondContact CA-OD2 3.42Å; T22-D77 WeakPolarHBondContact CB-OD2 3.5Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.4Å; T22-D77 PolarHBondContact OG1-OD2 2.87Å; T26-D77 PolarHBondContact OG1-OD2 2.92Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 PolarHBondContact O-N 2.87Å |
| 78 | G | 84.3 | Confident | 87.1 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | N75 L76 | N75-G78 PolarHBondContact ND2-O 3.02Å; N75-G78 VanDerWaalsContact OD1-CA 3.28Å; N75-G78 WeakPolarHBondContact OD1-CA 3.48Å; N75-G78 PolarHBondContact OD1-N 2.69Å; L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 88.9 | Confident | 85.7 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.9 | -171.4 | -157.5 | 169.2 | -167.1 | 120.6 | 11.7 | 111.7 | G17 D19 N75 L76 D77 I81 | G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.39Å; G17-R79 WeakPolarHBondContact O-CG 3.35Å; D19-R79 IonicContact OD2-CZ 2.77Å; D19-R79 IonicContact OD2-NH1 2.63Å; D19-R79 PolarHBondContact OD2-NH1 3.2Å; N75-R79 CarbonylContact C-O 3.55Å; N75-R79 VanDerWaalsContact CA-O 3.31Å; N75-R79 WeakPolarHBondContact CA-O 3.45Å; N75-R79 VanDerWaalsContact ND2-C 3.31Å; N75-R79 PolarHBondContact ND2-O 3.12Å; N75-R79 PolarHBondContact OD1-N 3.34Å; L76-R79 PolarHBondContact N-O 2.84Å; L76-R79 WeakPolarHBondContact O-CA 3.45Å; L76-R79 WeakPolarHBondContact O-CB 3.4Å; L76-R79 PolarHBondContact O-N 3.49Å; L76-R79 VanDerWaalsContact O-O 3.1Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 PolarHBondContact O-N 2.87Å; R79-I81 PolarHBondContact O-N 3.01Å |
| 80 | N | 91.1 | Very high | 84 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.8 | 174.7 | -75.2 | 103.6 | 0 | 0 | 0 | 111.2 | H74 N75 | H74-N80 WeakPolarHBondContact O-CA 3.26Å; H74-N80 PolarHBondContact O-ND2 2.72Å; N75-N80 PolarHBondContact ND2-N 3.29Å |
| 81 | I | 94.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.046 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.4 | 179.8 | 68.8 | 176.6 | 0 | 0 | 0 | 109.8 | V15 G16 L18 Y30 F31 H74 L76 R79 P83 | V15-I81 HydrophobicContact CG1-CB 4.14Å; V15-I81 HydrophobicContact CG1-CD1 3.94Å; V15-I81 HydrophobicContact CG1-CG1 4.34Å; G16-I81 CarbonylContact O-C 3.55Å; G16-I81 WeakPolarHBondContact O-CA 3.43Å; L18-I81 HydrophobicContact CD2-CB 4.34Å; L18-I81 HydrophobicContact CD2-CG2 3.81Å; Y30-I81 HydrophobicContact CD1-CD1 4.2Å; Y30-I81 HydrophobicContact CE1-CD1 3.92Å; F31-I81 HydrophobicContact CE2-CD1 3.89Å; F31-I81 HydrophobicContact CZ-CD1 3.68Å; H74-I81 HydrophobicContact CB-CD1 4.04Å; H74-I81 HydrophobicContact CB-CG1 3.44Å; H74-I81 VanDerWaalsContact CB-CG1 3.44Å; H74-I81 PolarHBondContact O-N 3.31Å; L76-I81 HydrophobicContact CB-CD1 3.97Å; L76-I81 HydrophobicContact CB-CG2 3.9Å; L76-I81 HydrophobicContact CD2-CD1 4.29Å; R79-I81 PolarHBondContact O-N 3.01Å; I81-P83 VanDerWaalsContact O-CD 3.27Å; I81-P83 WeakPolarHBondContact O-CD 3.5Å |
| 82 | D | 90.8 | Very high | 80.7 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 93.2 | -179.9 | 178.8 | -140.5 | 0 | 0 | 0 | 110.3 | G16 K72 K84 | G16-D82 PolarHBondContact N-O 3.07Å; G16-D82 PolarHBondContact O-N 3.07Å; K72-D82 IonicContact NZ-OD2 2.82Å; K72-D82 PolarHBondContact NZ-OD2 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.45Å; D82-K84 WeakPolarHBondContact OD1-CE 3.43Å; D82-K84 IonicContact OD1-NZ 4Å; D82-K84 PolarHBondContact OD1-NZ 3.01Å |
| 83 | P | 91.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.8 | 171.3 | 28.1 | -30.7 | 0 | 0 | 0 | 111.1 | L13 F14 F31 V68 L69 K72 H74 I81 | L13-P83 HydrophobicContact CD1-CB 3.98Å; L13-P83 HydrophobicContact CD2-CB 3.74Å; L13-P83 HydrophobicContact CG-CB 4.04Å; F14-P83 CarbonylContact O-C 3.51Å; F14-P83 VanDerWaalsContact O-CA 3.3Å; F14-P83 WeakPolarHBondContact O-CA 3.41Å; F31-P83 HydrophobicContact CZ-CB 4.49Å; V68-P83 HydrophobicContact CG1-CB 3.71Å; V68-P83 HydrophobicContact CG1-CG 3.65Å; L69-P83 WeakPolarHBondContact CD2-O 3.28Å; K72-P83 VanDerWaalsContact CE-O 3.3Å; K72-P83 WeakPolarHBondContact CE-O 3.27Å; K72-P83 PolarHBondContact NZ-O 3.29Å; H74-P83 WeakPolarHBondContact CD2-CG 3.5Å; H74-P83 WeakPolarHBondContact NE2-CG 3.44Å; I81-P83 VanDerWaalsContact O-CD 3.27Å; I81-P83 WeakPolarHBondContact O-CD 3.5Å |
| 84 | K | 90.3 | Very high | 76.8 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 46% | 0.457 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154 | 180 | -81.5 | 170.5 | 167.6 | 146 | 0 | 110.2 | L13 F14 D82 C86 | L13-K84 WeakPolarHBondContact CD1-O 3.3Å; F14-K84 HydrophobicContact CD1-CB 4.27Å; F14-K84 PolarHBondContact N-O 3.29Å; F14-K84 PolarHBondContact O-N 3.21Å; D82-K84 WeakPolarHBondContact OD1-CD 3.45Å; D82-K84 WeakPolarHBondContact OD1-CE 3.43Å; D82-K84 IonicContact OD1-NZ 4Å; D82-K84 PolarHBondContact OD1-NZ 3.01Å; K84-C86 PolarHBondContact O-N 2.91Å |
| 85 | P | 86.5 | Confident | 74.7 | Confident | 67 Ų | 67 | 86 Ų | 86 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 137 | 169.3 | -21.5 | 31 | 0 | 0 | 0 | 110.4 | L69 T87 | L69-P85 HydrophobicContact CD1-CG 3.69Å; P85-T87 PolarHBondContact O-N 3.2Å; P85-T87 VanDerWaalsContact O-N 3.14Å |
| 86 | C | 83.2 | Confident | 72.3 | Confident | 3 Ų | 3 | 86.1 Ų | 86.1 | 2% | 0.02 | 47% | 0.466 | C | S | . | . | trans | -66.2 | 115.7 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | L5 K12 K84 | L5-C86 WeakPolarHBondContact CD2-O 3.29Å; K12-C86 HydrophobicContact CB-CB 3.86Å; K12-C86 HydrophobicContact CD-CB 4.28Å; K12-C86 HydrophobicContact CG-CB 3.88Å; K12-C86 WeakPolarHBondContact O-CB 3.34Å; K12-C86 PolarHBondContact O-N 3.31Å; K84-C86 PolarHBondContact O-N 2.91Å | ||
| 87 | T | 77.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 97 Ų | 97 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | trans | -76.1 | 133.9 | 170.6 | -41.1 | 0 | 0 | 0 | 0 | 109.2 | P85 Q92 | P85-T87 PolarHBondContact O-N 3.2Å; P85-T87 VanDerWaalsContact O-N 3.14Å; T87-Q92 HydrophobicContact CG2-CG 4.11Å | ||
| 88 | P | 69.2 | Low | 68 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | trans | -55.3 | 143.6 | 178.7 | -28.1 | 34.7 | 0 | 0 | 0 | 113.4 | E9 G90 M91 Q92 | E9-P88 WeakPolarHBondContact OE2-CA 3.48Å; E9-P88 WeakPolarHBondContact OE2-CB 3.32Å; E9-P88 WeakPolarHBondContact OE2-CG 3.2Å; P88-G90 PolarHBondContact O-N 3.39Å; P88-G90 VanDerWaalsContact O-N 3.14Å; P88-M91 HydrophobicContact CB-CB 4.1Å; P88-M91 HydrophobicContact CG-CB 4.46Å; P88-M91 CarbonylContact O-C 3.56Å; P88-M91 PolarHBondContact O-N 2.61Å; P88-Q92 PolarHBondContact O-N 3.43Å; P88-Q92 VanDerWaalsContact O-N 3.07Å | ||
| 89 | R | 61.1 | Low | 66.3 | Low | 219 Ų | 219 | 103.4 Ų | 103.4 | 83% | 0.826 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.8 | -176.5 | -125.9 | -178.8 | -169.8 | 166.5 | 5.5 | 114.1 | ||
| 90 | G | 54.4 | Low | 63.7 | Low | 83 Ų | 83 | 106.1 Ų | 106.1 | 86% | 0.856 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | P88 | P88-G90 PolarHBondContact O-N 3.39Å; P88-G90 VanDerWaalsContact O-N 3.14Å |
| 91 | M | 50.9 | Low | 61.2 | Low | 149 Ų | 149 | 104.6 Ų | 104.6 | 73% | 0.734 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | 6.3 | -176.3 | -139.2 | 171 | -162.3 | 0 | 0 | 114.1 | P88 | P88-M91 HydrophobicContact CB-CB 4.1Å; P88-M91 HydrophobicContact CG-CB 4.46Å; P88-M91 CarbonylContact O-C 3.56Å; P88-M91 PolarHBondContact O-N 2.61Å |
| 92 | Q | 53 | Low | 58.7 | Low | 115 Ų | 115 | 114 Ų | 114 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -62.6 | 131.4 | 154 | -79.3 | -164 | -16.4 | 0 | 0 | 108.6 | T87 P88 E94 | T87-Q92 HydrophobicContact CG2-CG 4.11Å; P88-Q92 PolarHBondContact O-N 3.43Å; P88-Q92 VanDerWaalsContact O-N 3.07Å; Q92-E94 PolarHBondContact O-N 3.11Å |
| 93 | P | 47.8 | Very low | 56.2 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 60% | 0.604 | S | S | * | * | trans | -61.4 | 124.1 | 171.9 | 26 | -33.1 | 0 | 0 | 0 | 108.7 | K95 | P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 3.34Å | ||
| 94 | E | 42.5 | Very low | 54 | Low | 166 Ų | 166 | 123 Ų | 123 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | trans | -71 | 77.7 | -166.3 | -161 | -165.8 | 141.3 | 0 | 0 | 112.6 | Q92 S96 | Q92-E94 PolarHBondContact O-N 3.11Å; E94-S96 PolarHBondContact O-N 2.97Å; E94-S96 WeakPolarHBondContact OE1-CB 3.14Å; E94-S96 PolarHBondContact OE1-OG 3.31Å | ||
| 95 | K | 44.7 | Very low | 51.6 | Low | 180 Ų | 180 | 121.8 Ų | 121.8 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | trans | -76.5 | 69.9 | 164.7 | -67.9 | -169.1 | 177 | -174.5 | 0 | 108.6 | P93 R97 | P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 3.34Å; K95-R97 PolarHBondContact O-N 3.5Å | ||
| 96 | S | 40.4 | Very low | 49.7 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | trans | -58.3 | 92.2 | -178.1 | -139.9 | 0 | 0 | 0 | 0 | 110.2 | E94 T98 | E94-S96 PolarHBondContact O-N 2.97Å; E94-S96 WeakPolarHBondContact OE1-CB 3.14Å; E94-S96 PolarHBondContact OE1-OG 3.31Å; S96-T98 PolarHBondContact O-N 3.43Å | ||
| 97 | R | 46.2 | Very low | 47.9 | Very low | 241 Ų | 241 | 131.8 Ų | 131.8 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | -80.7 | 60.3 | 171.3 | -73.5 | -173.6 | 176.1 | 174.7 | -0.4 | 109.3 | K95 K99 | K95-R97 PolarHBondContact O-N 3.5Å; R97-K99 PolarHBondContact O-N 2.95Å | ||
| 98 | T | 39.3 | Very low | 46.6 | Very low | 96 Ų | 96 | 134 Ų | 134 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | trans | -59.3 | 123.3 | 172.4 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | S96 E100 | S96-T98 PolarHBondContact O-N 3.43Å; T98-E100 HydrophobicContact CG2-CB 4.33Å; T98-E100 HydrophobicContact CG2-CG 4.43Å; T98-E100 PolarHBondContact O-N 2.96Å | ||
| 99 | K | 48.5 | Very low | 45.8 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | trans | -83.4 | 40.6 | -168.5 | -165.6 | -172.8 | 170 | 178.3 | 0 | 111.7 | R97 | R97-K99 PolarHBondContact O-N 2.95Š| ||
| 100 | E | 36.3 | Very low | 45.5 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -135.7 | 126.3 | -171.6 | -62.7 | -173.3 | -169 | 0 | 0 | 110.8 | T98 | T98-E100 HydrophobicContact CG2-CB 4.33Å; T98-E100 HydrophobicContact CG2-CG 4.43Å; T98-E100 PolarHBondContact O-N 2.96Å |
| 101 | G | 37 | Very low | 45.9 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 68% | 0.681 | S | S | * | * | trans | 74.7 | 63.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | K103 | G101-K103 PolarHBondContact O-N 2.85Š| ||
| 102 | W | 42.9 | Very low | 47.2 | Very low | 206 Ų | 206 | 126.1 Ų | 126.1 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | trans | -68.9 | 78.9 | 164.6 | -172.4 | -87 | 0 | 0 | 0 | 111.1 | D192 | W102-D192 WeakPolarHBondContact CZ2-OD1 3.2Å; W102-D192 WeakPolarHBondContact CZ2-OD2 3.23Å | ||
| 103 | K | 37.2 | Very low | 49 | Very low | 183 Ų | 183 | 125.5 Ų | 125.5 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -109.8 | 101.5 | 164.3 | -175.4 | -177.8 | -179.7 | -176.4 | 0 | 106.8 | G101 S105 | G101-K103 PolarHBondContact O-N 2.85Å; K103-S105 PolarHBondContact O-N 3.15Å | ||
| 104 | G | 44.8 | Very low | 51 | Low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | trans | -55.5 | 102 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | K106 | G104-K106 PolarHBondContact O-N 2.92Š| ||
| 105 | S | 41.3 | Very low | 53.4 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | -73.1 | 113.5 | 174.9 | -80.1 | 0 | 0 | 0 | 0 | 110.1 | K103 A107 D108 | K103-S105 PolarHBondContact O-N 3.15Å; S105-A107 PolarHBondContact O-N 3.46Å; S105-D108 WeakPolarHBondContact CB-OD2 3.44Å; S105-D108 PolarHBondContact O-N 3.1Å | ||
| 106 | K | 46 | Very low | 55.7 | Low | 203 Ų | 203 | 109.3 Ų | 109.3 | 88% | 0.883 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -12.4 | 174.3 | -70.5 | -172.8 | 173.6 | -173.4 | 0 | 113.6 | G104 | G104-K106 PolarHBondContact O-N 2.92Š|
| 107 | A | 45.6 | Very low | 58.1 | Low | 78 Ų | 78 | 106 Ų | 106 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S105 S109 N110 | S105-A107 PolarHBondContact O-N 3.46Å; A107-S109 PolarHBondContact O-N 2.89Å; A107-N110 WeakPolarHBondContact O-CB 3.4Å; A107-N110 PolarHBondContact O-N 3.04Å |
| 108 | D | 48.9 | Very low | 60.3 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -68.2 | -21.2 | -172.8 | -60.3 | -83.3 | 0 | 0 | 0 | 113.7 | S105 N110 K111 | S105-D108 WeakPolarHBondContact CB-OD2 3.44Å; S105-D108 PolarHBondContact O-N 3.1Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.16Å; D108-K111 PolarHBondContact O-N 2.83Å |
| 109 | S | 53.3 | Low | 62.6 | Low | 40 Ų | 40 | 92.2 Ų | 92.2 | 28% | 0.28 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -52 | -35.7 | 172.5 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | A107 K111 S112 | A107-S109 PolarHBondContact O-N 2.89Å; S109-K111 PolarHBondContact O-N 2.79Å; S109-S112 PolarHBondContact O-N 2.89Å; S109-S112 PolarHBondContact O-OG 3.31Å |
| 110 | N | 54.3 | Low | 64.5 | Low | 109 Ų | 109 | 84.2 Ų | 84.2 | 58% | 0.583 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -65 | -24.7 | -177.5 | -156.5 | 22.4 | 0 | 0 | 0 | 112.7 | A107 D108 K187 | A107-N110 WeakPolarHBondContact O-CB 3.4Å; A107-N110 PolarHBondContact O-N 3.04Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.16Å; N110-K187 PolarHBondContact O-NZ 3.46Å; N110-K187 PolarHBondContact OD1-NZ 2.66Å |
| 111 | K | 64 | Low | 66.8 | Low | 146 Ų | 146 | 76.3 Ų | 76.3 | 64% | 0.635 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -101.9 | 17.3 | -175.5 | -128.2 | 173.6 | -175.3 | 163.2 | 0 | 114.9 | D108 S109 E164 | D108-K111 PolarHBondContact O-N 2.83Å; S109-K111 PolarHBondContact O-N 2.79Å; K111-E164 VanDerWaalsContact CE-OE1 3.28Å; K111-E164 WeakPolarHBondContact CE-OE1 3.43Å; K111-E164 WeakPolarHBondContact CE-OE2 3.45Å; K111-E164 VanDerWaalsContact CG-CD 3.41Å; K111-E164 WeakPolarHBondContact CG-OE1 3.46Å; K111-E164 WeakPolarHBondContact CG-OE2 3.45Å |
| 112 | S | 77.9 | Confident | 68.9 | Low | 26 Ų | 26 | 79 Ų | 79 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | trans | -77.3 | 127.7 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | S109 K114 | S109-S112 PolarHBondContact O-N 2.89Å; S109-S112 PolarHBondContact O-OG 3.31Å; S112-K114 PolarHBondContact O-N 3.38Å; S112-K114 VanDerWaalsContact O-N 3.12Å | ||
| 113 | K | 89.6 | Confident | 70.8 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -78.8 | 23.4 | 173.5 | -66.1 | -167 | 176.7 | -169.9 | 0 | 113.5 | T160 F161 E162 V167 | K113-T160 WeakPolarHBondContact O-CA 3.3Å; K113-T160 WeakPolarHBondContact O-CG2 3.28Å; K113-F161 PolarHBondContact O-N 3.44Å; K113-E162 WeakPolarHBondContact CD-O 3.4Å; K113-E162 WeakPolarHBondContact CE-O 3.46Å; K113-E162 PolarHBondContact NZ-O 3.25Å; K113-V167 VanDerWaalsContact C-CG2 3.43Å |
| 114 | K | 91 | Very high | 73 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 26% | 0.261 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.1 | -168.4 | -165.7 | 161.6 | -170.7 | 143.2 | 0 | 110.7 | S112 E141 F158 I159 T160 A188 | S112-K114 PolarHBondContact O-N 3.38Å; S112-K114 VanDerWaalsContact O-N 3.12Å; K114-E141 IonicContact NZ-OE2 2.67Å; K114-E141 PolarHBondContact NZ-OE2 3.12Å; K114-F158 HydrophobicContact CD-CB 4.37Å; K114-F158 HydrophobicContact CG-CB 4.27Å; K114-I159 CarbonylContact C-O 3.57Å; K114-I159 VanDerWaalsContact CA-O 3.31Å; K114-I159 WeakPolarHBondContact CA-O 3.46Å; K114-T160 WeakPolarHBondContact CD-OG1 3.19Å; K114-T160 WeakPolarHBondContact CE-OG1 3.36Å; K114-T160 PolarHBondContact NZ-OG1 2.94Å; K114-A188 HydrophobicContact CB-CB 3.96Å; K114-A188 HydrophobicContact CG-CB 3.86Å; K114-A188 WeakPolarHBondContact O-CB 3.2Å; K114-A188 PolarHBondContact O-N 2.84Å |
| 115 | I | 92.3 | Very high | 74.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 147.8 | 170.3 | 55.6 | 171.5 | 0 | 0 | 0 | 111.1 | V117 F133 F158 I159 F161 V167 A170 V171 V185 K186 | I115-V117 HydrophobicContact CD1-CG2 3.62Å; I115-V117 HydrophobicContact CG1-CG2 3.82Å; I115-F133 HydrophobicContact CD1-CD1 3.96Å; I115-F133 HydrophobicContact CD1-CE1 3.87Å; I115-F133 HydrophobicContact CD1-CZ 4.36Å; I115-F158 WeakPolarHBondContact O-CA 3.32Å; I115-F158 WeakPolarHBondContact O-CB 3.27Å; I115-I159 HydrophobicContact CD1-CB 4.11Å; I115-I159 HydrophobicContact CD1-CD1 4.49Å; I115-I159 HydrophobicContact CG1-CB 3.75Å; I115-I159 PolarHBondContact N-O 3.35Å; I115-I159 PolarHBondContact O-N 2.67Å; I115-F161 HydrophobicContact CD1-CE2 3.71Å; I115-F161 HydrophobicContact CD1-CZ 4.13Å; I115-F161 HydrophobicContact CG1-CE2 3.88Å; I115-F161 HydrophobicContact CG2-CE2 4.28Å; I115-V167 HydrophobicContact CG2-CB 4.26Å; I115-V167 HydrophobicContact CG2-CG1 3.77Å; I115-V167 HydrophobicContact CG2-CG2 4.27Å; I115-A170 HydrophobicContact CD1-CB 4.24Å; I115-V171 HydrophobicContact CG2-CG2 3.66Å; I115-V185 HydrophobicContact CB-CG1 4.07Å; I115-V185 HydrophobicContact CD1-CG1 3.8Å; I115-V185 HydrophobicContact CG2-CG1 4.03Å; I115-K186 CarbonylContact C-O 3.44Å; I115-K186 VanDerWaalsContact CA-O 3.3Å; I115-K186 WeakPolarHBondContact CA-O 3.32Å; I115-K186 WeakPolarHBondContact CB-O 3.15Å |
| 116 | F | 92.4 | Very high | 77 | Confident | 52 Ų | 52 | 64 Ų | 64 | 23% | 0.228 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.7 | 157.8 | 167.3 | -92.3 | 0 | 0 | 0 | 108.3 | F156 F158 V185 K186 | F116-F156 HydrophobicContact CD2-CD2 4.41Å; F116-F156 HydrophobicContact CE2-CB 3.78Å; F116-F156 AromaticContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CE2 4.48Å; F116-F156 AromaticContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CZ-CB 3.9Å; F116-F156 HydrophobicContact CZ-CG 4.36Å; F116-F158 HydrophobicContact CB-CD1 4.2Å; F116-F158 HydrophobicContact CB-CE1 4.16Å; F116-F158 HydrophobicContact CD2-CD1 4.4Å; F116-F158 AromaticContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CZ 4.22Å; F116-V185 WeakPolarHBondContact O-CA 3.15Å; F116-K186 HydrophobicContact CD1-CB 4.38Å; F116-K186 PolarHBondContact N-O 2.81Å; F116-K186 PolarHBondContact O-N 3.18Å |
| 117 | V | 91.9 | Very high | 79.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 115.3 | -179.5 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | I115 I120 L129 F133 F156 G157 I159 V183 E184 V185 | I115-V117 HydrophobicContact CD1-CG2 3.62Å; I115-V117 HydrophobicContact CG1-CG2 3.82Å; V117-I120 HydrophobicContact CB-CD1 4.21Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.85Å; V117-L129 HydrophobicContact CG1-CD2 4.34Å; V117-F133 HydrophobicContact CG1-CE2 4.06Å; V117-F133 HydrophobicContact CG1-CZ 4.24Å; V117-F133 HydrophobicContact CG2-CE2 4.4Å; V117-F133 HydrophobicContact CG2-CZ 4.42Å; V117-F156 CarbonylContact O-C 3.49Å; V117-F156 WeakPolarHBondContact O-CA 3.31Å; V117-F156 WeakPolarHBondContact O-CB 3.5Å; V117-G157 PolarHBondContact N-O 3.29Å; V117-G157 PolarHBondContact O-N 3.42Å; V117-I159 HydrophobicContact CG2-CB 4.49Å; V117-I159 HydrophobicContact CG2-CD1 3.89Å; V117-I159 HydrophobicContact CG2-CG1 3.91Å; V117-V183 HydrophobicContact CG1-CG1 3.3Å; V117-E184 CarbonylContact C-O 3.58Å; V117-E184 WeakPolarHBondContact CA-O 3.48Å; V117-V185 HydrophobicContact CG1-CG2 4.41Å; V117-V185 HydrophobicContact CG2-CG2 4.41Å |
| 118 | G | 91.2 | Very high | 81.2 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I120 G155 V183 E184 | G118-I120 VanDerWaalsContact C-N 3.29Å; G118-G155 CarbonylContact C-O 3.58Å; G118-V183 CarbonylContact O-C 3.46Å; G118-V183 VanDerWaalsContact O-CA 3.31Å; G118-V183 WeakPolarHBondContact O-CA 3.41Å; G118-V183 VanDerWaalsContact O-CG1 3.32Å; G118-V183 WeakPolarHBondContact O-CG1 3.21Å; G118-E184 PolarHBondContact N-O 2.96Å; G118-E184 PolarHBondContact O-N 2.78Å |
| 119 | G | 88 | Confident | 83.1 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 46% | 0.464 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 78.2 | 10.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G155 | G119-G155 PolarHBondContact N-O 2.82Š|
| 120 | I | 88.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | trans | -54.9 | 125.4 | 178.7 | -54.9 | 170.6 | 0 | 0 | 0 | 109.2 | V117 G118 C124 L129 M144 G155 V183 | V117-I120 HydrophobicContact CB-CD1 4.21Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.85Å; G118-I120 VanDerWaalsContact C-N 3.29Å; I120-C124 HydrophobicContact CG2-CB 4.14Å; I120-L129 HydrophobicContact CD1-CD1 3.9Å; I120-L129 HydrophobicContact CD1-CD2 4.37Å; I120-L129 HydrophobicContact CG1-CD2 4.32Å; I120-L129 HydrophobicContact CG2-CD1 4.19Å; I120-L129 HydrophobicContact CG2-CD2 4.26Å; I120-M144 HydrophobicContact CG2-CE 4.28Å; I120-G155 PolarHBondContact N-O 2.85Å; I120-G155 WeakPolarHBondContact O-CA 3.41Å; I120-V183 HydrophobicContact CG1-CG1 4.31Å | ||
| 121 | P | 83.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | trans | -73.8 | 153.3 | -179.6 | 31.7 | -34.5 | 0 | 0 | 0 | 111.3 | N123 C124 M179 K181 | P121-N123 WeakPolarHBondContact CB-OD1 3.37Å; P121-N123 PolarHBondContact O-N 2.74Å; P121-N123 VanDerWaalsContact O-N 3.1Å; P121-C124 HydrophobicContact CG-CB 3.65Å; P121-C124 PolarHBondContact O-N 2.85Å; P121-M179 HydrophobicContact CG-CB 4.22Å; P121-K181 HydrophobicContact CB-CB 4.18Å; P121-K181 HydrophobicContact CB-CD 3.82Å; P121-K181 HydrophobicContact CB-CG 3.86Å; P121-K181 HydrophobicContact CG-CB 4.21Å; P121-K181 HydrophobicContact CG-CG 4.35Å | ||
| 122 | H | 82.2 | Confident | 87.9 | Confident | 131 Ų | 131 | 53.9 Ų | 53.9 | 61% | 0.606 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.5 | -171.5 | 61.6 | -97 | 0 | 0 | 0 | 114.8 | ||
| 123 | N | 82.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 1.2 | 175.6 | 65 | -42.2 | 0 | 0 | 0 | 113.1 | P121 M179 | P121-N123 WeakPolarHBondContact CB-OD1 3.37Å; P121-N123 PolarHBondContact O-N 2.74Å; P121-N123 VanDerWaalsContact O-N 3.1Å; N123-M179 PolarHBondContact ND2-SD 3.32Å; N123-M179 VanDerWaalsContact ND2-SD 3.39Å |
| 124 | C | 81.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | trans | -102.7 | 121.2 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | I120 P121 M144 M179 | I120-C124 HydrophobicContact CG2-CB 4.14Å; P121-C124 HydrophobicContact CG-CB 3.65Å; P121-C124 PolarHBondContact O-N 2.85Å; C124-M144 WeakPolarHBondContact O-CE 3.22Å; C124-M179 HydrophobicContact CB-CE 4.38Å; C124-M179 HydrophobicContact CB-SD 3.71Å | ||
| 125 | G | 83.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | trans | -103.6 | -163.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P127 E128 L129 M144 | G125-P127 VanDerWaalsContact C-CD 3.5Å; G125-E128 VanDerWaalsContact CA-OE2 3.3Å; G125-E128 WeakPolarHBondContact CA-OE2 3.37Å; G125-E128 PolarHBondContact N-OE2 2.71Å; G125-L129 WeakPolarHBondContact O-CD1 3.41Å; G125-L129 VanDerWaalsContact O-CG 3.28Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.39Å; G125-M144 VanDerWaalsContact C-SD 3.5Å | ||
| 126 | E | 87.8 | Confident | 88.2 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 175.3 | -158.1 | -168.2 | 113.7 | 0 | 0 | 114.1 | R130 V142 M144 | E126-R130 VanDerWaalsContact O-CB 3.28Å; E126-R130 WeakPolarHBondContact O-CB 3.3Å; E126-R130 PolarHBondContact O-N 3.49Å; E126-V142 HydrophobicContact CG-CB 3.57Å; E126-V142 HydrophobicContact CG-CG1 3.63Å; E126-V142 HydrophobicContact CG-CG2 4.3Å; E126-M144 PolarHBondContact N-SD 3.45Å; E126-M144 VanDerWaalsContact N-SD 3.45Å |
| 127 | P | 88.9 | Confident | 88 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.4 | -35.2 | -171.6 | 27.1 | -32.2 | 0 | 0 | 0 | 112.7 | G125 R130 D131 | G125-P127 VanDerWaalsContact C-CD 3.5Å; P127-R130 PolarHBondContact O-N 3.49Å; P127-D131 WeakPolarHBondContact O-CB 3.42Å; P127-D131 PolarHBondContact O-N 2.89Å |
| 128 | E | 89.6 | Confident | 88 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -76.1 | -32.3 | -179.9 | -50.7 | 86.9 | 176.8 | 0 | 0 | 111.9 | G125 Y132 M179 | G125-E128 VanDerWaalsContact CA-OE2 3.3Å; G125-E128 WeakPolarHBondContact CA-OE2 3.37Å; G125-E128 PolarHBondContact N-OE2 2.71Å; E128-Y132 VanDerWaalsContact O-CB 3.22Å; E128-Y132 WeakPolarHBondContact O-CB 3.47Å; E128-Y132 PolarHBondContact O-N 2.88Å; E128-Y132 VanDerWaalsContact O-N 3.1Å; E128-M179 HydrophobicContact CB-CE 4.03Å; E128-M179 HydrophobicContact CG-CE 3.65Å |
| 129 | L | 89.5 | Confident | 88.1 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 166 | -69.5 | 169.9 | 0 | 0 | 0 | 110.5 | V117 I120 G125 D131 Y132 F133 V142 M144 I159 I178 | V117-L129 HydrophobicContact CG1-CD2 4.34Å; I120-L129 HydrophobicContact CD1-CD1 3.9Å; I120-L129 HydrophobicContact CD1-CD2 4.37Å; I120-L129 HydrophobicContact CG1-CD2 4.32Å; I120-L129 HydrophobicContact CG2-CD1 4.19Å; I120-L129 HydrophobicContact CG2-CD2 4.26Å; G125-L129 WeakPolarHBondContact O-CD1 3.41Å; G125-L129 VanDerWaalsContact O-CG 3.28Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.39Å; L129-D131 PolarHBondContact O-N 3.32Å; L129-Y132 PolarHBondContact O-N 3.01Å; L129-F133 HydrophobicContact CD2-CE2 4.16Å; L129-F133 WeakPolarHBondContact O-CB 3.45Å; L129-F133 VanDerWaalsContact O-CD2 3.26Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 PolarHBondContact O-N 3.47Å; L129-V142 HydrophobicContact CD1-CG1 4.36Å; L129-M144 HydrophobicContact CD1-CE 4.49Å; L129-M144 HydrophobicContact CD1-CG 4.01Å; L129-M144 HydrophobicContact CD1-SD 3.93Å; L129-I159 HydrophobicContact CB-CD1 4.27Å; L129-I178 HydrophobicContact CD2-CD1 4.26Å |
| 130 | R | 90.8 | Very high | 88.1 | Confident | 136 Ų | 136 | 64 Ų | 64 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | -178.1 | -174.9 | 177.2 | 177.6 | -169.7 | -3.7 | 111.5 | E126 P127 N134 V139 V142 | E126-R130 VanDerWaalsContact O-CB 3.28Å; E126-R130 WeakPolarHBondContact O-CB 3.3Å; E126-R130 PolarHBondContact O-N 3.49Å; P127-R130 PolarHBondContact O-N 3.49Å; R130-N134 VanDerWaalsContact O-CB 3.26Å; R130-N134 WeakPolarHBondContact O-CB 3.46Å; R130-N134 PolarHBondContact O-N 3.04Å; R130-V139 HydrophobicContact CG-CB 4.19Å; R130-V139 HydrophobicContact CG-CG1 4.1Å; R130-V142 HydrophobicContact CB-CG2 4.18Å |
| 131 | D | 91.3 | Very high | 88.1 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.2 | -52.6 | 177.9 | -177.4 | -103 | 0 | 0 | 0 | 111.6 | P127 L129 F133 N134 | P127-D131 WeakPolarHBondContact O-CB 3.42Å; P127-D131 PolarHBondContact O-N 2.89Å; L129-D131 PolarHBondContact O-N 3.32Å; D131-F133 VanDerWaalsContact C-N 3.34Å; D131-F133 PolarHBondContact O-N 2.9Å; D131-N134 WeakPolarHBondContact O-CB 3.28Å; D131-N134 PolarHBondContact O-N 2.66Å |
| 132 | Y | 90.6 | Very high | 88.4 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | -180 | -177.9 | -86.3 | 0 | 0 | 0 | 112.4 | E128 L129 R135 F136 H176 I178 | E128-Y132 VanDerWaalsContact O-CB 3.22Å; E128-Y132 WeakPolarHBondContact O-CB 3.47Å; E128-Y132 PolarHBondContact O-N 2.88Å; E128-Y132 VanDerWaalsContact O-N 3.1Å; L129-Y132 PolarHBondContact O-N 3.01Å; Y132-R135 WeakPolarHBondContact O-CB 3.46Å; Y132-F136 HydrophobicContact CD1-CE2 4.41Å; Y132-F136 AromaticContact CE1-CE2 3.93Å; Y132-F136 HydrophobicContact CE1-CE2 3.93Å; Y132-H176 HydrophobicContact CE1-CB 3.67Å; Y132-H176 AromaticContact CE1-CG 3.75Å; Y132-H176 AromaticContact CE1-ND1 3.42Å; Y132-H176 WeakPolarHBondContact CE1-ND1 3.1Å; Y132-H176 AromaticContact CZ-ND1 3.72Å; Y132-H176 WeakPolarHBondContact OH-CB 3.43Å; Y132-H176 PolarHBondContact OH-ND1 2.85Å; Y132-H176 VanDerWaalsContact OH-ND1 3.11Å; Y132-I178 HydrophobicContact CD1-CD1 3.54Å; Y132-I178 HydrophobicContact CD1-CG1 3.96Å; Y132-I178 HydrophobicContact CD2-CD1 4.45Å; Y132-I178 HydrophobicContact CD2-CG1 4.07Å; Y132-I178 HydrophobicContact CE1-CD1 3.84Å; Y132-I178 HydrophobicContact CE1-CG1 3.97Å; Y132-I178 HydrophobicContact CE2-CG1 4.06Å; Y132-I178 HydrophobicContact CG-CD1 3.9Å; Y132-I178 HydrophobicContact CG-CG1 4.03Å |
| 133 | F | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.2 | -21.4 | -179.6 | -77.3 | -73 | 0 | 0 | 0 | 113.8 | I115 V117 L129 D131 R135 F136 V139 I159 F161 A170 I178 V185 | I115-F133 HydrophobicContact CD1-CD1 3.96Å; I115-F133 HydrophobicContact CD1-CE1 3.87Å; I115-F133 HydrophobicContact CD1-CZ 4.36Å; V117-F133 HydrophobicContact CG1-CE2 4.06Å; V117-F133 HydrophobicContact CG1-CZ 4.24Å; V117-F133 HydrophobicContact CG2-CE2 4.4Å; V117-F133 HydrophobicContact CG2-CZ 4.42Å; L129-F133 HydrophobicContact CD2-CE2 4.16Å; L129-F133 WeakPolarHBondContact O-CB 3.45Å; L129-F133 VanDerWaalsContact O-CD2 3.26Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 PolarHBondContact O-N 3.47Å; D131-F133 VanDerWaalsContact C-N 3.34Å; D131-F133 PolarHBondContact O-N 2.9Å; F133-R135 PolarHBondContact O-N 2.89Å; F133-R135 VanDerWaalsContact O-N 3.12Å; F133-F136 AromaticContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 PolarHBondContact O-N 3.3Å; F133-V139 HydrophobicContact CB-CG2 4.02Å; F133-I159 HydrophobicContact CB-CD1 4.08Å; F133-I159 HydrophobicContact CD2-CD1 3.22Å; F133-I159 HydrophobicContact CE2-CD1 3.78Å; F133-I159 HydrophobicContact CG-CD1 3.72Å; F133-F161 HydrophobicContact CB-CE1 4.28Å; F133-F161 HydrophobicContact CB-CZ 4.11Å; F133-F161 HydrophobicContact CD1-CZ 4.22Å; F133-A170 HydrophobicContact CD1-CB 4.38Å; F133-A170 HydrophobicContact CE1-CB 4.32Å; F133-I178 HydrophobicContact CE2-CD1 3.84Å; F133-I178 HydrophobicContact CZ-CD1 4.24Å; F133-V185 HydrophobicContact CE1-CG2 3.85Å; F133-V185 HydrophobicContact CZ-CG2 3.59Å |
| 134 | N | 90.5 | Very high | 88.9 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -25.9 | 174.9 | -165.3 | 45.2 | 0 | 0 | 0 | 112.6 | R130 D131 F136 G137 | R130-N134 VanDerWaalsContact O-CB 3.26Å; R130-N134 WeakPolarHBondContact O-CB 3.46Å; R130-N134 PolarHBondContact O-N 3.04Å; D131-N134 WeakPolarHBondContact O-CB 3.28Å; D131-N134 PolarHBondContact O-N 2.66Å; N134-F136 PolarHBondContact O-N 3.49Å; N134-G137 WeakPolarHBondContact CA-O 3.41Å; N134-G137 CarbonylContact O-C 3.58Å; N134-G137 WeakPolarHBondContact O-CA 3.4Å; N134-G137 PolarHBondContact O-N 2.67Å |
| 135 | R | 88.8 | Confident | 89 | Confident | 203 Ų | 203 | 62.9 Ų | 62.9 | 77% | 0.766 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.7 | 172.6 | 178.8 | 176.7 | 164.5 | -172.6 | -5.7 | 114.1 | Y132 F133 | Y132-R135 WeakPolarHBondContact O-CB 3.46Å; F133-R135 PolarHBondContact O-N 2.89Å; F133-R135 VanDerWaalsContact O-N 3.12Å |
| 136 | F | 87.8 | Confident | 89 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 10% | 0.101 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.8 | 175.8 | -53.5 | -82.5 | 0 | 0 | 0 | 112.3 | Y132 F133 N134 S166 Q169 A170 M173 H176 | Y132-F136 HydrophobicContact CD1-CE2 4.41Å; Y132-F136 AromaticContact CE1-CE2 3.93Å; Y132-F136 HydrophobicContact CE1-CE2 3.93Å; F133-F136 AromaticContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 PolarHBondContact O-N 3.3Å; N134-F136 PolarHBondContact O-N 3.49Å; F136-S166 WeakPolarHBondContact O-CA 3.43Å; F136-S166 WeakPolarHBondContact O-CB 3.41Å; F136-S166 PolarHBondContact O-OG 2.78Å; F136-Q169 HydrophobicContact CD1-CB 4.2Å; F136-A170 HydrophobicContact CG-CB 4.42Å; F136-M173 HydrophobicContact CE1-SD 3.67Å; F136-M173 HydrophobicContact CZ-SD 3.83Å; F136-H176 AromaticContact CE2-CE1 3.76Å; F136-H176 AromaticContact CE2-ND1 3.96Å; F136-H176 AromaticContact CZ-CE1 3.43Å; F136-H176 VanDerWaalsContact CZ-CE1 3.43Å; F136-H176 WeakPolarHBondContact CZ-CE1 3.22Å; F136-H176 AromaticContact CZ-ND1 3.73Å |
| 137 | G | 88.2 | Confident | 88.5 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 136.6 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N134 V139 F161 S166 | N134-G137 WeakPolarHBondContact CA-O 3.41Å; N134-G137 CarbonylContact O-C 3.58Å; N134-G137 WeakPolarHBondContact O-CA 3.4Å; N134-G137 PolarHBondContact O-N 2.67Å; G137-V139 PolarHBondContact O-N 3.11Å; G137-V139 VanDerWaalsContact O-N 3.16Å; G137-F161 WeakPolarHBondContact O-CD1 3.48Å; G137-F161 WeakPolarHBondContact O-CE1 3.2Å; G137-S166 WeakPolarHBondContact CA-OG 3.21Å |
| 138 | V | 91.6 | Very high | 87.5 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | trans | -59.4 | 117.4 | -169.4 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | F161 E162 | V138-F161 CarbonylContact O-C 3.56Å; V138-F161 WeakPolarHBondContact O-CA 3.17Å; V138-E162 HydrophobicContact CB-CB 4.02Å; V138-E162 HydrophobicContact CG1-CB 4.32Å; V138-E162 PolarHBondContact O-N 3.04Å | ||
| 139 | V | 92.8 | Very high | 86.7 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.3 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | R130 F133 G137 V142 I159 F161 | R130-V139 HydrophobicContact CG-CB 4.19Å; R130-V139 HydrophobicContact CG-CG1 4.1Å; F133-V139 HydrophobicContact CB-CG2 4.02Å; G137-V139 PolarHBondContact O-N 3.11Å; G137-V139 VanDerWaalsContact O-N 3.16Å; V139-V142 HydrophobicContact CG1-CG2 3.56Å; V139-I159 HydrophobicContact CB-CG2 4.36Å; V139-I159 HydrophobicContact CG1-CG2 3.62Å; V139-I159 HydrophobicContact CG2-CG2 3.89Å; V139-F161 HydrophobicContact CG2-CD1 3.9Å; V139-F161 HydrophobicContact CG2-CE1 3.64Å; V139-F161 HydrophobicContact CG2-CZ 4.5Å |
| 140 | T | 89.4 | Confident | 85.9 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -26.8 | -179.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | T160 E162 | T140-T160 PolarHBondContact N-O 2.89Å; T140-T160 PolarHBondContact OG1-O 2.99Å; T140-E162 HydrophobicContact CG2-CB 3.77Å |
| 141 | E | 87.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 137.5 | -177.3 | -177.2 | -160.1 | -129.4 | 0 | 0 | 109.2 | K114 V143 I159 T160 | K114-E141 IonicContact NZ-OE2 2.67Å; K114-E141 PolarHBondContact NZ-OE2 3.12Å; E141-V143 HydrophobicContact CG-CG2 3.71Å; E141-I159 WeakPolarHBondContact O-CA 3.08Å; E141-T160 PolarHBondContact N-O 3.43Å; E141-T160 PolarHBondContact O-N 2.98Å; E141-T160 PolarHBondContact OE2-OG1 2.74Å |
| 142 | V | 90.7 | Very high | 83.9 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.9 | 168 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | E126 L129 R130 V139 I159 | E126-V142 HydrophobicContact CG-CB 3.57Å; E126-V142 HydrophobicContact CG-CG1 3.63Å; E126-V142 HydrophobicContact CG-CG2 4.3Å; L129-V142 HydrophobicContact CD1-CG1 4.36Å; R130-V142 HydrophobicContact CB-CG2 4.18Å; V139-V142 HydrophobicContact CG1-CG2 3.56Å; V142-I159 HydrophobicContact CG1-CG1 4.21Å; V142-I159 HydrophobicContact CG2-CG1 4.19Å; V142-I159 HydrophobicContact CG2-CG2 4.32Å |
| 143 | V | 88.5 | Confident | 83.2 | Confident | 49 Ų | 49 | 77 Ų | 77 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 93.7 | -178.1 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | E141 I145 G157 F158 | E141-V143 HydrophobicContact CG-CG2 3.71Å; V143-I145 HydrophobicContact CG1-CD1 4.03Å; V143-G157 CarbonylContact O-C 3.44Å; V143-G157 WeakPolarHBondContact O-CA 3.21Å; V143-F158 PolarHBondContact N-O 2.76Å; V143-F158 PolarHBondContact O-N 2.65Å |
| 144 | M | 87.2 | Confident | 82.6 | Confident | 23 Ų | 23 | 84.2 Ų | 84.2 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.6 | 171.8 | -67.1 | 178.6 | 70.9 | 0 | 0 | 110.4 | I120 C124 G125 E126 L129 Y146 P153 | I120-M144 HydrophobicContact CG2-CE 4.28Å; C124-M144 WeakPolarHBondContact O-CE 3.22Å; G125-M144 VanDerWaalsContact C-SD 3.5Å; E126-M144 PolarHBondContact N-SD 3.45Å; E126-M144 VanDerWaalsContact N-SD 3.45Å; L129-M144 HydrophobicContact CD1-CE 4.49Å; L129-M144 HydrophobicContact CD1-CG 4.01Å; L129-M144 HydrophobicContact CD1-SD 3.93Å; M144-Y146 HydrophobicContact CB-CD2 4.47Å; M144-Y146 HydrophobicContact CB-CE2 3.64Å; M144-Y146 WeakPolarHBondContact O-CD2 3.42Å; M144-P153 HydrophobicContact CE-CB 4.23Å |
| 145 | I | 84.9 | Confident | 82.3 | Confident | 42 Ų | 42 | 81 Ų | 81 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.5 | 179.6 | -53.7 | -58.3 | 0 | 0 | 0 | 109.7 | V143 R154 F156 F158 | V143-I145 HydrophobicContact CG1-CD1 4.03Å; I145-R154 WeakPolarHBondContact O-CB 3.39Å; I145-R154 PolarHBondContact O-N 2.88Å; I145-F156 HydrophobicContact CB-CD2 4.12Å; I145-F156 HydrophobicContact CB-CE2 3.68Å; I145-F156 HydrophobicContact CB-CZ 3.99Å; I145-F156 HydrophobicContact CG1-CD2 4.02Å; I145-F156 HydrophobicContact CG1-CE2 3.6Å; I145-F156 HydrophobicContact CG1-CZ 4.36Å; I145-F156 HydrophobicContact CG2-CE2 4.04Å; I145-F156 HydrophobicContact CG2-CZ 3.92Å; I145-F156 PolarHBondContact N-O 3.27Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.28Å; I145-F158 HydrophobicContact CG1-CD2 4.24Å; I145-F158 HydrophobicContact CG1-CE2 3.98Å |
| 146 | Y | 82.3 | Confident | 82.3 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 46% | 0.459 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 152.9 | 176.9 | -59.9 | -93.3 | 0 | 0 | 0 | 111.3 | M144 A148 P153 | M144-Y146 HydrophobicContact CB-CD2 4.47Å; M144-Y146 HydrophobicContact CB-CE2 3.64Å; M144-Y146 WeakPolarHBondContact O-CD2 3.42Å; Y146-A148 PolarHBondContact O-N 3.36Å; Y146-P153 HydrophobicContact CD1-CB 4.02Å; Y146-P153 HydrophobicContact CE1-CB 3.91Å; Y146-P153 HydrophobicContact CE1-CG 4.42Å |
| 147 | D | 77.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.3 | 168.5 | -174.6 | -5.4 | 0 | 0 | 0 | 108 | E149 K150 Q151 R152 R154 | D147-E149 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact OD1-N 3.38Å; D147-K150 HydrophobicContact CB-CB 4.45Å; D147-K150 PolarHBondContact O-N 3.05Å; D147-Q151 WeakPolarHBondContact O-CA 3.4Å; D147-Q151 PolarHBondContact O-N 2.94Å; D147-R152 WeakPolarHBondContact CB-O 3.21Å; D147-R152 PolarHBondContact N-O 3.02Å; D147-R154 HydrophobicContact CB-CG 3.88Å |
| 148 | A | 69.3 | Low | 82.7 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y146 K150 Q151 | Y146-A148 PolarHBondContact O-N 3.36Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 3.16Å; A148-Q151 PolarHBondContact O-NE2 2.87Å |
| 149 | E | 72.3 | Confident | 82.8 | Confident | 160 Ų | 160 | 69 Ų | 69 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26 | -179.6 | -62 | -179.5 | 173.4 | 0 | 0 | 113 | D147 | D147-E149 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact OD1-N 3.38Å |
| 150 | K | 72.3 | Confident | 82.7 | Confident | 140 Ų | 140 | 70 Ų | 70 | 61% | 0.609 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 0.7 | -165.5 | -67 | 169 | -167.2 | 133.3 | 0 | 113.9 | D147 A148 R152 | D147-K150 HydrophobicContact CB-CB 4.45Å; D147-K150 PolarHBondContact O-N 3.05Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 3.16Å; K150-R152 HydrophobicContact CB-CB 4.42Å; K150-R152 PolarHBondContact O-N 2.86Å |
| 151 | Q | 67.3 | Low | 82.9 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 70% | 0.696 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 23.7 | -175.3 | -63.2 | -61.5 | -58.2 | 0 | 0 | 114.3 | D147 A148 | D147-Q151 WeakPolarHBondContact O-CA 3.4Å; D147-Q151 PolarHBondContact O-N 2.94Å; A148-Q151 PolarHBondContact O-NE2 2.87Å |
| 152 | R | 72.6 | Confident | 83.1 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.9 | -175.3 | -169.6 | 177.6 | -173.5 | 172.1 | 5.3 | 109.6 | D147 K150 R154 | D147-R152 WeakPolarHBondContact CB-O 3.21Å; D147-R152 PolarHBondContact N-O 3.02Å; K150-R152 HydrophobicContact CB-CB 4.42Å; K150-R152 PolarHBondContact O-N 2.86Å; R152-R154 PolarHBondContact O-N 3.39Å |
| 153 | P | 75.8 | Confident | 83 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 132.4 | 172.5 | 23.6 | -33.2 | 0 | 0 | 0 | 109.8 | M144 Y146 G155 | M144-P153 HydrophobicContact CE-CB 4.23Å; Y146-P153 HydrophobicContact CD1-CB 4.02Å; Y146-P153 HydrophobicContact CE1-CB 3.91Å; Y146-P153 HydrophobicContact CE1-CG 4.42Å; P153-G155 PolarHBondContact O-N 3.03Å |
| 154 | R | 78.2 | Confident | 82.9 | Confident | 153 Ų | 153 | 69.1 Ų | 69.1 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 12.7 | 179.9 | -67.5 | 179 | 62.8 | 174.3 | -2.7 | 113.5 | I145 D147 R152 F156 | I145-R154 WeakPolarHBondContact O-CB 3.39Å; I145-R154 PolarHBondContact O-N 2.88Å; D147-R154 HydrophobicContact CB-CG 3.88Å; R152-R154 PolarHBondContact O-N 3.39Å; R154-F156 HydrophobicContact CB-CD1 3.72Å; R154-F156 HydrophobicContact CB-CE1 3.54Å; R154-F156 HydrophobicContact CB-CZ 4.45Å; R154-F156 HydrophobicContact CG-CE1 4.41Å; R154-F156 WeakPolarHBondContact O-CD1 3.31Å; R154-F156 PolarHBondContact O-N 3.02Å |
| 155 | G | 83.6 | Confident | 82.9 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 19% | 0.186 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.4 | 15.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G118 G119 I120 P153 | G118-G155 CarbonylContact C-O 3.58Å; G119-G155 PolarHBondContact N-O 2.82Å; I120-G155 PolarHBondContact N-O 2.85Å; I120-G155 WeakPolarHBondContact O-CA 3.41Å; P153-G155 PolarHBondContact O-N 3.03Å |
| 156 | F | 90.1 | Very high | 83.2 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.1 | 175.1 | 74.9 | -93.4 | 0 | 0 | 0 | 113.3 | F116 V117 I145 R154 F158 | F116-F156 HydrophobicContact CD2-CD2 4.41Å; F116-F156 HydrophobicContact CE2-CB 3.78Å; F116-F156 AromaticContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CE2 4.48Å; F116-F156 AromaticContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CZ-CB 3.9Å; F116-F156 HydrophobicContact CZ-CG 4.36Å; V117-F156 CarbonylContact O-C 3.49Å; V117-F156 WeakPolarHBondContact O-CA 3.31Å; V117-F156 WeakPolarHBondContact O-CB 3.5Å; I145-F156 HydrophobicContact CB-CD2 4.12Å; I145-F156 HydrophobicContact CB-CE2 3.68Å; I145-F156 HydrophobicContact CB-CZ 3.99Å; I145-F156 HydrophobicContact CG1-CD2 4.02Å; I145-F156 HydrophobicContact CG1-CE2 3.6Å; I145-F156 HydrophobicContact CG1-CZ 4.36Å; I145-F156 HydrophobicContact CG2-CE2 4.04Å; I145-F156 HydrophobicContact CG2-CZ 3.92Å; I145-F156 PolarHBondContact N-O 3.27Å; R154-F156 HydrophobicContact CB-CD1 3.72Å; R154-F156 HydrophobicContact CB-CE1 3.54Å; R154-F156 HydrophobicContact CB-CZ 4.45Å; R154-F156 HydrophobicContact CG-CE1 4.41Å; R154-F156 WeakPolarHBondContact O-CD1 3.31Å; R154-F156 PolarHBondContact O-N 3.02Å; F156-F158 HydrophobicContact CE2-CE2 4.39Å |
| 157 | G | 91.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | -170.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V117 V143 | V117-G157 PolarHBondContact N-O 3.29Å; V117-G157 PolarHBondContact O-N 3.42Å; V143-G157 CarbonylContact O-C 3.44Å; V143-G157 WeakPolarHBondContact O-CA 3.21Å |
| 158 | F | 92.9 | Very high | 84.1 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.1 | 174.3 | -56.1 | -92 | 0 | 0 | 0 | 110 | K114 I115 F116 V143 I145 F156 A188 | K114-F158 HydrophobicContact CD-CB 4.37Å; K114-F158 HydrophobicContact CG-CB 4.27Å; I115-F158 WeakPolarHBondContact O-CA 3.32Å; I115-F158 WeakPolarHBondContact O-CB 3.27Å; F116-F158 HydrophobicContact CB-CD1 4.2Å; F116-F158 HydrophobicContact CB-CE1 4.16Å; F116-F158 HydrophobicContact CD2-CD1 4.4Å; F116-F158 AromaticContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CZ 4.22Å; V143-F158 PolarHBondContact N-O 2.76Å; V143-F158 PolarHBondContact O-N 2.65Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.28Å; I145-F158 HydrophobicContact CG1-CD2 4.24Å; I145-F158 HydrophobicContact CG1-CE2 3.98Å; F156-F158 HydrophobicContact CE2-CE2 4.39Å; F158-A188 HydrophobicContact CD1-CB 3.95Å; F158-A188 HydrophobicContact CE1-CB 4.32Å |
| 159 | I | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.7 | 175.7 | -58.8 | -178.1 | 0 | 0 | 0 | 108.2 | K114 I115 V117 L129 F133 V139 E141 V142 F161 | K114-I159 CarbonylContact C-O 3.57Å; K114-I159 VanDerWaalsContact CA-O 3.31Å; K114-I159 WeakPolarHBondContact CA-O 3.46Å; I115-I159 HydrophobicContact CD1-CB 4.11Å; I115-I159 HydrophobicContact CD1-CD1 4.49Å; I115-I159 HydrophobicContact CG1-CB 3.75Å; I115-I159 PolarHBondContact N-O 3.35Å; I115-I159 PolarHBondContact O-N 2.67Å; V117-I159 HydrophobicContact CG2-CB 4.49Å; V117-I159 HydrophobicContact CG2-CD1 3.89Å; V117-I159 HydrophobicContact CG2-CG1 3.91Å; L129-I159 HydrophobicContact CB-CD1 4.27Å; F133-I159 HydrophobicContact CB-CD1 4.08Å; F133-I159 HydrophobicContact CD2-CD1 3.22Å; F133-I159 HydrophobicContact CE2-CD1 3.78Å; F133-I159 HydrophobicContact CG-CD1 3.72Å; V139-I159 HydrophobicContact CB-CG2 4.36Å; V139-I159 HydrophobicContact CG1-CG2 3.62Å; V139-I159 HydrophobicContact CG2-CG2 3.89Å; E141-I159 WeakPolarHBondContact O-CA 3.08Å; V142-I159 HydrophobicContact CG1-CG1 4.21Å; V142-I159 HydrophobicContact CG2-CG1 4.19Å; V142-I159 HydrophobicContact CG2-CG2 4.32Å; I159-F161 HydrophobicContact CG2-CE2 4.35Å; I159-F161 HydrophobicContact CG2-CZ 4.34Å |
| 160 | T | 91 | Very high | 85.9 | Confident | 27 Ų | 27 | 61 Ų | 61 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130 | 174 | -47.9 | 0 | 0 | 0 | 0 | 108.7 | K113 K114 T140 E141 | K113-T160 WeakPolarHBondContact O-CA 3.3Å; K113-T160 WeakPolarHBondContact O-CG2 3.28Å; K114-T160 WeakPolarHBondContact CD-OG1 3.19Å; K114-T160 WeakPolarHBondContact CE-OG1 3.36Å; K114-T160 PolarHBondContact NZ-OG1 2.94Å; T140-T160 PolarHBondContact N-O 2.89Å; T140-T160 PolarHBondContact OG1-O 2.99Å; E141-T160 PolarHBondContact N-O 3.43Å; E141-T160 PolarHBondContact O-N 2.98Å; E141-T160 PolarHBondContact OE2-OG1 2.74Å |
| 161 | F | 93.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 159.1 | 177.7 | -69.4 | -82.3 | 0 | 0 | 0 | 111.8 | K113 I115 F133 G137 V138 V139 I159 A163 S166 V167 A170 | K113-F161 PolarHBondContact O-N 3.44Å; I115-F161 HydrophobicContact CD1-CE2 3.71Å; I115-F161 HydrophobicContact CD1-CZ 4.13Å; I115-F161 HydrophobicContact CG1-CE2 3.88Å; I115-F161 HydrophobicContact CG2-CE2 4.28Å; F133-F161 HydrophobicContact CB-CE1 4.28Å; F133-F161 HydrophobicContact CB-CZ 4.11Å; F133-F161 HydrophobicContact CD1-CZ 4.22Å; G137-F161 WeakPolarHBondContact O-CD1 3.48Å; G137-F161 WeakPolarHBondContact O-CE1 3.2Å; V138-F161 CarbonylContact O-C 3.56Å; V138-F161 WeakPolarHBondContact O-CA 3.17Å; V139-F161 HydrophobicContact CG2-CD1 3.9Å; V139-F161 HydrophobicContact CG2-CE1 3.64Å; V139-F161 HydrophobicContact CG2-CZ 4.5Å; I159-F161 HydrophobicContact CG2-CE2 4.35Å; I159-F161 HydrophobicContact CG2-CZ 4.34Å; F161-A163 WeakPolarHBondContact CB-O 3.4Å; F161-S166 VanDerWaalsContact CD1-CB 3.46Å; F161-V167 HydrophobicContact CD2-CG2 3.7Å; F161-V167 HydrophobicContact CE2-CG2 4.38Å; F161-A170 HydrophobicContact CE2-CB 4.48Å; F161-A170 HydrophobicContact CZ-CB 4.43Å |
| 162 | E | 90.8 | Very high | 87.6 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -70 | -40.1 | 168.7 | -172.9 | 172.1 | -160 | 0 | 0 | 111.5 | K113 V138 T140 | K113-E162 WeakPolarHBondContact CD-O 3.4Å; K113-E162 WeakPolarHBondContact CE-O 3.46Å; K113-E162 PolarHBondContact NZ-O 3.25Å; V138-E162 HydrophobicContact CB-CB 4.02Å; V138-E162 HydrophobicContact CG1-CB 4.32Å; V138-E162 PolarHBondContact O-N 3.04Å; T140-E162 HydrophobicContact CG2-CB 3.77Å |
| 163 | A | 88.4 | Confident | 88 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -106 | 144.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F161 | F161-A163 WeakPolarHBondContact CB-O 3.4Š|
| 164 | E | 86.7 | Confident | 88.2 | Confident | 59 Ų | 59 | 54 Ų | 54 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 175 | -171 | -179.5 | 144 | 0 | 0 | 111.1 | K111 S166 V167 D168 | K111-E164 VanDerWaalsContact CE-OE1 3.28Å; K111-E164 WeakPolarHBondContact CE-OE1 3.43Å; K111-E164 WeakPolarHBondContact CE-OE2 3.45Å; K111-E164 VanDerWaalsContact CG-CD 3.41Å; K111-E164 WeakPolarHBondContact CG-OE1 3.46Å; K111-E164 WeakPolarHBondContact CG-OE2 3.45Å; E164-S166 PolarHBondContact O-N 2.82Å; E164-S166 VanDerWaalsContact O-N 3.15Å; E164-V167 VanDerWaalsContact O-CB 3.27Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.32Å; E164-D168 PolarHBondContact O-N 2.86Å |
| 165 | Q | 88.3 | Confident | 88.7 | Confident | 130 Ų | 130 | 51.1 Ų | 51.1 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.1 | -29.7 | 178.1 | -61.5 | -71.6 | -94.5 | 0 | 0 | 113.5 | V167 D168 Q169 | Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.47Å; Q165-D168 PolarHBondContact NE2-OD2 2.8Å; Q165-D168 PolarHBondContact O-N 3.27Å; Q165-Q169 WeakPolarHBondContact O-CG 3.48Å; Q165-Q169 PolarHBondContact O-N 2.8Å |
| 166 | S | 90.9 | Very high | 89 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 174.9 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | F136 G137 F161 E164 A170 | F136-S166 WeakPolarHBondContact O-CA 3.43Å; F136-S166 WeakPolarHBondContact O-CB 3.41Å; F136-S166 PolarHBondContact O-OG 2.78Å; G137-S166 WeakPolarHBondContact CA-OG 3.21Å; F161-S166 VanDerWaalsContact CD1-CB 3.46Å; E164-S166 PolarHBondContact O-N 2.82Å; E164-S166 VanDerWaalsContact O-N 3.15Å; S166-A170 WeakPolarHBondContact O-CB 3.44Å; S166-A170 PolarHBondContact O-N 2.78Å |
| 167 | V | 89.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | K113 I115 F161 E164 Q165 Q169 A170 V171 K187 | K113-V167 VanDerWaalsContact C-CG2 3.43Å; I115-V167 HydrophobicContact CG2-CB 4.26Å; I115-V167 HydrophobicContact CG2-CG1 3.77Å; I115-V167 HydrophobicContact CG2-CG2 4.27Å; F161-V167 HydrophobicContact CD2-CG2 3.7Å; F161-V167 HydrophobicContact CE2-CG2 4.38Å; E164-V167 VanDerWaalsContact O-CB 3.27Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.32Å; Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.47Å; V167-Q169 PolarHBondContact O-N 3.18Å; V167-A170 PolarHBondContact O-N 3.21Å; V167-V171 HydrophobicContact CG1-CG2 4.22Å; V167-V171 VanDerWaalsContact O-CB 3.31Å; V167-V171 WeakPolarHBondContact O-CB 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.4Å; V167-V171 PolarHBondContact O-N 3.39Å; V167-K187 HydrophobicContact CG1-CD 4.25Å; V167-K187 HydrophobicContact CG1-CG 3.86Å |
| 168 | D | 88.5 | Confident | 88.7 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 179 | -64.9 | -52.6 | 0 | 0 | 0 | 111.8 | E164 Q165 N172 K187 | E164-D168 PolarHBondContact O-N 2.86Å; Q165-D168 PolarHBondContact NE2-OD2 2.8Å; Q165-D168 PolarHBondContact O-N 3.27Å; D168-N172 WeakPolarHBondContact O-CB 3.32Å; D168-N172 PolarHBondContact O-N 3.07Å; D168-K187 WeakPolarHBondContact OD1-CE 3.43Å; D168-K187 IonicContact OD1-NZ 2.66Å; D168-K187 PolarHBondContact OD1-NZ 3.16Å |
| 169 | Q | 89.1 | Confident | 88 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 177.7 | -71.9 | -172.1 | 6.5 | 0 | 0 | 113.1 | F136 Q165 V167 | F136-Q169 HydrophobicContact CD1-CB 4.2Å; Q165-Q169 WeakPolarHBondContact O-CG 3.48Å; Q165-Q169 PolarHBondContact O-N 2.8Å; V167-Q169 PolarHBondContact O-N 3.18Å |
| 170 | A | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I115 F133 F136 F161 S166 V167 N172 M173 H176 V185 | I115-A170 HydrophobicContact CD1-CB 4.24Å; F133-A170 HydrophobicContact CD1-CB 4.38Å; F133-A170 HydrophobicContact CE1-CB 4.32Å; F136-A170 HydrophobicContact CG-CB 4.42Å; F161-A170 HydrophobicContact CE2-CB 4.48Å; F161-A170 HydrophobicContact CZ-CB 4.43Å; S166-A170 WeakPolarHBondContact O-CB 3.44Å; S166-A170 PolarHBondContact O-N 2.78Å; V167-A170 PolarHBondContact O-N 3.21Å; A170-N172 PolarHBondContact O-N 2.76Å; A170-M173 PolarHBondContact O-N 2.84Å; A170-H176 PolarHBondContact O-NE2 2.79Å; A170-V185 HydrophobicContact CB-CG1 4.13Å |
| 171 | V | 88.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -32.8 | 179.2 | 176.7 | 0 | 0 | 0 | 0 | 112 | I115 V167 M173 H174 V185 K186 K187 | I115-V171 HydrophobicContact CG2-CG2 3.66Å; V167-V171 HydrophobicContact CG1-CG2 4.22Å; V167-V171 VanDerWaalsContact O-CB 3.31Å; V167-V171 WeakPolarHBondContact O-CB 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.4Å; V167-V171 PolarHBondContact O-N 3.39Å; V171-M173 VanDerWaalsContact C-N 3.25Å; V171-M173 PolarHBondContact O-N 2.93Å; V171-H174 WeakPolarHBondContact O-CA 3.47Å; V171-H174 PolarHBondContact O-CE1 3.26Å; V171-H174 VanDerWaalsContact O-CE1 3.27Å; V171-H174 VanDerWaalsContact O-CG 3.3Å; V171-H174 PolarHBondContact O-N 3.35Å; V171-H174 PolarHBondContact O-ND1 3.1Å; V171-V185 HydrophobicContact CG2-CG1 4Å; V171-K186 VanDerWaalsContact CG2-C 3.45Å; V171-K187 HydrophobicContact CB-CG 4.45Å; V171-K187 HydrophobicContact CG1-CG 4.29Å; V171-K187 HydrophobicContact CG2-CG 3.89Å |
| 172 | N | 87.2 | Confident | 87.2 | Confident | 128 Ų | 128 | 70 Ų | 70 | 68% | 0.684 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.6 | -38.5 | 177.7 | -178.7 | 64.4 | 0 | 0 | 0 | 112.6 | D168 A170 H174 | D168-N172 WeakPolarHBondContact O-CB 3.32Å; D168-N172 PolarHBondContact O-N 3.07Å; A170-N172 PolarHBondContact O-N 2.76Å; N172-H174 VanDerWaalsContact C-N 3.29Å; N172-H174 PolarHBondContact O-N 3.26Å; N172-H174 PolarHBondContact O-ND1 3.36Å |
| 173 | M | 81.1 | Confident | 87.2 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -25.1 | 175.8 | -69.8 | -172.6 | 63.1 | 0 | 0 | 113.3 | F136 A170 V171 F175 | F136-M173 HydrophobicContact CE1-SD 3.67Å; F136-M173 HydrophobicContact CZ-SD 3.83Å; A170-M173 PolarHBondContact O-N 2.84Å; V171-M173 VanDerWaalsContact C-N 3.25Å; V171-M173 PolarHBondContact O-N 2.93Å; M173-F175 PolarHBondContact O-N 2.82Å |
| 174 | H | 80.3 | Confident | 87.3 | Confident | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | trans | 57.9 | -29.3 | -175.9 | -67.7 | 79.8 | 0 | 0 | 0 | 116.5 | V171 N172 E184 V185 | V171-H174 WeakPolarHBondContact O-CA 3.47Å; V171-H174 PolarHBondContact O-CE1 3.26Å; V171-H174 VanDerWaalsContact O-CE1 3.27Å; V171-H174 VanDerWaalsContact O-CG 3.3Å; V171-H174 PolarHBondContact O-N 3.35Å; V171-H174 PolarHBondContact O-ND1 3.1Å; N172-H174 VanDerWaalsContact C-N 3.29Å; N172-H174 PolarHBondContact O-N 3.26Å; N172-H174 PolarHBondContact O-ND1 3.36Å; H174-E184 WeakPolarHBondContact O-CA 3.31Å; H174-V185 PolarHBondContact O-N 3.26Å | ||
| 175 | F | 89.5 | Confident | 87.6 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.9 | -179.3 | -63.5 | -79.6 | 0 | 0 | 0 | 111.2 | M173 K182 V183 E184 | M173-F175 PolarHBondContact O-N 2.82Å; F175-K182 HydrophobicContact CB-CD 4.2Å; F175-K182 HydrophobicContact CB-CG 3.83Å; F175-K182 HydrophobicContact CD1-CD 4.3Å; F175-K182 HydrophobicContact CD1-CG 3.9Å; F175-K182 HydrophobicContact CG-CD 4.32Å; F175-K182 VanDerWaalsContact CG-CE 3.4Å; F175-K182 HydrophobicContact CG-CG 4.15Å; F175-V183 CarbonylContact C-O 3.57Å; F175-V183 VanDerWaalsContact CA-O 3.27Å; F175-V183 WeakPolarHBondContact CA-O 3.36Å; F175-E184 HydrophobicContact CD1-CB 4.1Å; F175-E184 HydrophobicContact CD1-CG 4.36Å; F175-E184 HydrophobicContact CE1-CB 3.94Å; F175-E184 HydrophobicContact CE1-CG 3.92Å |
| 176 | H | 88.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.4 | -176.9 | -66.8 | -91.2 | 0 | 0 | 0 | 109.6 | Y132 F136 A170 I178 V183 V185 | Y132-H176 HydrophobicContact CE1-CB 3.67Å; Y132-H176 AromaticContact CE1-CG 3.75Å; Y132-H176 AromaticContact CE1-ND1 3.42Å; Y132-H176 WeakPolarHBondContact CE1-ND1 3.1Å; Y132-H176 AromaticContact CZ-ND1 3.72Å; Y132-H176 WeakPolarHBondContact OH-CB 3.43Å; Y132-H176 PolarHBondContact OH-ND1 2.85Å; Y132-H176 VanDerWaalsContact OH-ND1 3.11Å; F136-H176 AromaticContact CE2-CE1 3.76Å; F136-H176 AromaticContact CE2-ND1 3.96Å; F136-H176 AromaticContact CZ-CE1 3.43Å; F136-H176 VanDerWaalsContact CZ-CE1 3.43Å; F136-H176 WeakPolarHBondContact CZ-CE1 3.22Å; F136-H176 AromaticContact CZ-ND1 3.73Å; A170-H176 PolarHBondContact O-NE2 2.79Å; H176-I178 HydrophobicContact CB-CD1 4.33Å; H176-I178 HydrophobicContact CB-CG1 4.22Å; H176-I178 PolarHBondContact O-N 2.94Å; H176-V183 PolarHBondContact N-O 3.28Å; H176-V183 WeakPolarHBondContact O-CB 3.08Å; H176-V183 PolarHBondContact O-N 2.77Å; H176-V185 WeakPolarHBondContact CD2-CG2 3.47Å |
| 177 | D | 88.4 | Confident | 87.7 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 105.1 | 177.2 | -67.8 | -72.4 | 0 | 0 | 0 | 110.2 | K181 K182 | D177-K181 WeakPolarHBondContact CA-O 3.34Å; D177-K182 WeakPolarHBondContact OD1-CA 3.36Å; D177-K182 WeakPolarHBondContact OD1-CB 3.15Å |
| 178 | I | 85.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | -177 | -54.6 | -179.3 | 0 | 0 | 0 | 108 | L129 Y132 F133 H176 G180 K181 V183 | L129-I178 HydrophobicContact CD2-CD1 4.26Å; Y132-I178 HydrophobicContact CD1-CD1 3.54Å; Y132-I178 HydrophobicContact CD1-CG1 3.96Å; Y132-I178 HydrophobicContact CD2-CD1 4.45Å; Y132-I178 HydrophobicContact CD2-CG1 4.07Å; Y132-I178 HydrophobicContact CE1-CD1 3.84Å; Y132-I178 HydrophobicContact CE1-CG1 3.97Å; Y132-I178 HydrophobicContact CE2-CG1 4.06Å; Y132-I178 HydrophobicContact CG-CD1 3.9Å; Y132-I178 HydrophobicContact CG-CG1 4.03Å; F133-I178 HydrophobicContact CE2-CD1 3.84Å; F133-I178 HydrophobicContact CZ-CD1 4.24Å; H176-I178 HydrophobicContact CB-CD1 4.33Å; H176-I178 HydrophobicContact CB-CG1 4.22Å; H176-I178 PolarHBondContact O-N 2.94Å; I178-G180 PolarHBondContact O-N 2.9Å; I178-G180 VanDerWaalsContact O-N 3.16Å; I178-K181 PolarHBondContact N-O 3.02Å; I178-K181 PolarHBondContact O-N 2.97Å; I178-K181 VanDerWaalsContact O-O 3.12Å; I178-V183 HydrophobicContact CB-CG2 4Å; I178-V183 HydrophobicContact CD1-CB 4.21Å; I178-V183 HydrophobicContact CD1-CG1 4.38Å; I178-V183 HydrophobicContact CD1-CG2 4.11Å; I178-V183 HydrophobicContact CG1-CB 4.47Å; I178-V183 HydrophobicContact CG1-CG2 4.19Å |
| 179 | M | 80.1 | Confident | 87 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.2 | -175.6 | -64.1 | -173.3 | 171.5 | 0 | 0 | 114.3 | P121 N123 C124 E128 K181 | P121-M179 HydrophobicContact CG-CB 4.22Å; N123-M179 PolarHBondContact ND2-SD 3.32Å; N123-M179 VanDerWaalsContact ND2-SD 3.39Å; C124-M179 HydrophobicContact CB-CE 4.38Å; C124-M179 HydrophobicContact CB-SD 3.71Å; E128-M179 HydrophobicContact CB-CE 4.03Å; E128-M179 HydrophobicContact CG-CE 3.65Å; M179-K181 VanDerWaalsContact C-N 3.27Å; M179-K181 PolarHBondContact O-N 2.97Å |
| 180 | G | 81.4 | Confident | 86.1 | Confident | 79 Ų | 79 | 67 Ų | 67 | 81% | 0.814 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 14.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I178 | I178-G180 PolarHBondContact O-N 2.9Å; I178-G180 VanDerWaalsContact O-N 3.16Å |
| 181 | K | 87.1 | Confident | 84.8 | Confident | 107 Ų | 107 | 74.4 Ų | 74.4 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.3 | 168.7 | -66.2 | -138.4 | -169.6 | -171.5 | 0 | 111.8 | P121 D177 I178 M179 V183 | P121-K181 HydrophobicContact CB-CB 4.18Å; P121-K181 HydrophobicContact CB-CD 3.82Å; P121-K181 HydrophobicContact CB-CG 3.86Å; P121-K181 HydrophobicContact CG-CB 4.21Å; P121-K181 HydrophobicContact CG-CG 4.35Å; D177-K181 WeakPolarHBondContact CA-O 3.34Å; I178-K181 PolarHBondContact N-O 3.02Å; I178-K181 PolarHBondContact O-N 2.97Å; I178-K181 VanDerWaalsContact O-O 3.12Å; M179-K181 VanDerWaalsContact C-N 3.27Å; M179-K181 PolarHBondContact O-N 2.97Å; K181-V183 PolarHBondContact O-N 2.99Å |
| 182 | K | 89.9 | Confident | 83.1 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 101.9 | 177.1 | -165.3 | 164.6 | -176.1 | 166.8 | 0 | 110.5 | F175 D177 | F175-K182 HydrophobicContact CB-CD 4.2Å; F175-K182 HydrophobicContact CB-CG 3.83Å; F175-K182 HydrophobicContact CD1-CD 4.3Å; F175-K182 HydrophobicContact CD1-CG 3.9Å; F175-K182 HydrophobicContact CG-CD 4.32Å; F175-K182 VanDerWaalsContact CG-CE 3.4Å; F175-K182 HydrophobicContact CG-CG 4.15Å; D177-K182 WeakPolarHBondContact OD1-CA 3.36Å; D177-K182 WeakPolarHBondContact OD1-CB 3.15Å |
| 183 | V | 92.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.7 | 178.6 | 176 | 0 | 0 | 0 | 0 | 109.1 | V117 G118 I120 F175 H176 I178 K181 | V117-V183 HydrophobicContact CG1-CG1 3.3Å; G118-V183 CarbonylContact O-C 3.46Å; G118-V183 VanDerWaalsContact O-CA 3.31Å; G118-V183 WeakPolarHBondContact O-CA 3.41Å; G118-V183 VanDerWaalsContact O-CG1 3.32Å; G118-V183 WeakPolarHBondContact O-CG1 3.21Å; I120-V183 HydrophobicContact CG1-CG1 4.31Å; F175-V183 CarbonylContact C-O 3.57Å; F175-V183 VanDerWaalsContact CA-O 3.27Å; F175-V183 WeakPolarHBondContact CA-O 3.36Å; H176-V183 PolarHBondContact N-O 3.28Å; H176-V183 WeakPolarHBondContact O-CB 3.08Å; H176-V183 PolarHBondContact O-N 2.77Å; I178-V183 HydrophobicContact CB-CG2 4Å; I178-V183 HydrophobicContact CD1-CB 4.21Å; I178-V183 HydrophobicContact CD1-CG1 4.38Å; I178-V183 HydrophobicContact CD1-CG2 4.11Å; I178-V183 HydrophobicContact CG1-CB 4.47Å; I178-V183 HydrophobicContact CG1-CG2 4.19Å; K181-V183 PolarHBondContact O-N 2.99Å |
| 184 | E | 90.1 | Very high | 79.6 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.3 | 176.4 | -174.2 | -177.1 | -125.4 | 0 | 0 | 111 | V117 G118 H174 F175 K186 | V117-E184 CarbonylContact C-O 3.58Å; V117-E184 WeakPolarHBondContact CA-O 3.48Å; G118-E184 PolarHBondContact N-O 2.96Å; G118-E184 PolarHBondContact O-N 2.78Å; H174-E184 WeakPolarHBondContact O-CA 3.31Å; F175-E184 HydrophobicContact CD1-CB 4.1Å; F175-E184 HydrophobicContact CD1-CG 4.36Å; F175-E184 HydrophobicContact CE1-CB 3.94Å; F175-E184 HydrophobicContact CE1-CG 3.92Å; E184-K186 VanDerWaalsContact CD-CE 3.41Å; E184-K186 HydrophobicContact CG-CD 4.47Å; E184-K186 WeakPolarHBondContact OE1-CE 3.49Å; E184-K186 IonicContact OE1-NZ 2.75Å; E184-K186 PolarHBondContact OE1-NZ 3.49Å; E184-K186 WeakPolarHBondContact OE2-CE 3.47Å; E184-K186 IonicContact OE2-NZ 2.7Å; E184-K186 PolarHBondContact OE2-NZ 3.27Å |
| 185 | V | 93.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.9 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I115 F116 V117 F133 A170 V171 H174 H176 | I115-V185 HydrophobicContact CB-CG1 4.07Å; I115-V185 HydrophobicContact CD1-CG1 3.8Å; I115-V185 HydrophobicContact CG2-CG1 4.03Å; F116-V185 WeakPolarHBondContact O-CA 3.15Å; V117-V185 HydrophobicContact CG1-CG2 4.41Å; V117-V185 HydrophobicContact CG2-CG2 4.41Å; F133-V185 HydrophobicContact CE1-CG2 3.85Å; F133-V185 HydrophobicContact CZ-CG2 3.59Å; A170-V185 HydrophobicContact CB-CG1 4.13Å; V171-V185 HydrophobicContact CG2-CG1 4Å; H174-V185 PolarHBondContact O-N 3.26Å; H176-V185 WeakPolarHBondContact CD2-CG2 3.47Å |
| 186 | K | 90.9 | Very high | 75.4 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.2 | -179.3 | -76.6 | 165 | 175.9 | 157 | 0 | 110.2 | I115 F116 V171 E184 A188 | I115-K186 CarbonylContact C-O 3.44Å; I115-K186 VanDerWaalsContact CA-O 3.3Å; I115-K186 WeakPolarHBondContact CA-O 3.32Å; I115-K186 WeakPolarHBondContact CB-O 3.15Å; F116-K186 HydrophobicContact CD1-CB 4.38Å; F116-K186 PolarHBondContact N-O 2.81Å; F116-K186 PolarHBondContact O-N 3.18Å; V171-K186 VanDerWaalsContact CG2-C 3.45Å; E184-K186 VanDerWaalsContact CD-CE 3.41Å; E184-K186 HydrophobicContact CG-CD 4.47Å; E184-K186 WeakPolarHBondContact OE1-CE 3.49Å; E184-K186 IonicContact OE1-NZ 2.75Å; E184-K186 PolarHBondContact OE1-NZ 3.49Å; E184-K186 WeakPolarHBondContact OE2-CE 3.47Å; E184-K186 IonicContact OE2-NZ 2.7Å; E184-K186 PolarHBondContact OE2-NZ 3.27Å; K186-A188 PolarHBondContact O-N 3.17Å |
| 187 | K | 89.5 | Confident | 73.4 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 17% | 0.174 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 132.6 | 166.8 | -69.4 | -161.6 | 176 | -171 | 0 | 108.1 | N110 V167 D168 V171 E189 | N110-K187 PolarHBondContact O-NZ 3.46Å; N110-K187 PolarHBondContact OD1-NZ 2.66Å; V167-K187 HydrophobicContact CG1-CD 4.25Å; V167-K187 HydrophobicContact CG1-CG 3.86Å; D168-K187 WeakPolarHBondContact OD1-CE 3.43Å; D168-K187 IonicContact OD1-NZ 2.66Å; D168-K187 PolarHBondContact OD1-NZ 3.16Å; V171-K187 HydrophobicContact CB-CG 4.45Å; V171-K187 HydrophobicContact CG1-CG 4.29Å; V171-K187 HydrophobicContact CG2-CG 3.89Å; K187-E189 PolarHBondContact O-N 3.05Å |
| 188 | A | 84.9 | Confident | 71 | Confident | 5 Ų | 5 | 89 Ų | 89 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 119.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K114 F158 K186 | K114-A188 HydrophobicContact CB-CB 3.96Å; K114-A188 HydrophobicContact CG-CB 3.86Å; K114-A188 WeakPolarHBondContact O-CB 3.2Å; K114-A188 PolarHBondContact O-N 2.84Å; F158-A188 HydrophobicContact CD1-CB 3.95Å; F158-A188 HydrophobicContact CE1-CB 4.32Å; K186-A188 PolarHBondContact O-N 3.17Å |
| 189 | E | 80 | Confident | 68.8 | Low | 162 Ų | 162 | 96.5 Ų | 96.5 | 76% | 0.757 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 135 | 166.9 | -64.5 | -162.5 | 134.5 | 0 | 0 | 109.2 | K187 R191 | K187-E189 PolarHBondContact O-N 3.05Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.34Å |
| 190 | P | 69.9 | Low | 66.7 | Low | 100 Ų | 100 | 95 Ų | 95 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | trans | -68.8 | 90.2 | 179.7 | 28 | -34.2 | 0 | 0 | 0 | 109.5 | D192 | P190-D192 PolarHBondContact O-N 2.75Š| ||
| 191 | R | 61.9 | Low | 64.9 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | trans | -66.2 | 106.2 | 177.6 | -176.8 | 171.2 | -179.6 | 177.9 | -0.8 | 109.6 | E189 N193 | E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.34Å; R191-N193 PolarHBondContact O-N 2.79Å | ||
| 192 | D | 53.4 | Low | 63 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | trans | -42.6 | 127 | 160.9 | -95.1 | -46.9 | 0 | 0 | 0 | 109.7 | W102 P190 K194 | W102-D192 WeakPolarHBondContact CZ2-OD1 3.2Å; W102-D192 WeakPolarHBondContact CZ2-OD2 3.23Å; P190-D192 PolarHBondContact O-N 2.75Å; D192-K194 HydrophobicContact CB-CG 4.41Å; D192-K194 PolarHBondContact O-N 2.91Å | ||
| 193 | N | 46.7 | Very low | 60.6 | Low | 163 Ų | 163 | 97.8 Ų | 97.8 | 87% | 0.872 | 55% | 0.554 | S | S | * | * | trans | -78.2 | 48.4 | -176.8 | -160.6 | 78.2 | 0 | 0 | 0 | 112.1 | R191 A195 | R191-N193 PolarHBondContact O-N 2.79Å; N193-A195 PolarHBondContact O-N 2.77Å | ||
| 194 | K | 48.2 | Very low | 57.9 | Low | 167 Ų | 167 | 109.1 Ų | 109.1 | 73% | 0.726 | 60% | 0.597 | S | S | * | * | trans | -69.6 | 108.8 | 164.1 | -69 | -178.1 | -179 | 179.6 | 0 | 107.5 | D192 | D192-K194 HydrophobicContact CB-CG 4.41Å; D192-K194 PolarHBondContact O-N 2.91Å | ||
| 195 | A | 34.7 | Very low | 55.5 | Low | 71 Ų | 71 | 109.6 Ų | 109.6 | 59% | 0.587 | 61% | 0.611 | S | S | * | * | trans | -57 | 137.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N193 G197 | N193-A195 PolarHBondContact O-N 2.77Å; A195-G197 PolarHBondContact O-N 3.25Å | ||
| 196 | P | 45.2 | Very low | 53.1 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 80% | 0.799 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 105.6 | 173.3 | 29.3 | -32.3 | 0 | 0 | 0 | 109 | ||
| 197 | G | 48.4 | Very low | 50.6 | Low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.2 | -20.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | A195 L199 | A195-G197 PolarHBondContact O-N 3.25Å; G197-L199 PolarHBondContact O-N 3.06Å; G197-L199 VanDerWaalsContact O-N 3.07Å |
| 198 | Q | 36.3 | Very low | 47.9 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -83.8 | 91 | 178.6 | -166.5 | 165.1 | 71.6 | 0 | 0 | 111.7 | G200 | Q198-G200 PolarHBondContact O-N 3.13Å; Q198-G200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | L | 41.2 | Very low | 45.7 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 106.7 | 159.9 | -70.6 | 168.3 | 0 | 0 | 0 | 108.6 | G197 | G197-L199 PolarHBondContact O-N 3.06Å; G197-L199 VanDerWaalsContact O-N 3.07Å | ||
| 200 | G | 35.3 | Very low | 43.5 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | -67.4 | 135.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q198 G202 | Q198-G200 PolarHBondContact O-N 3.13Å; Q198-G200 VanDerWaalsContact O-N 3.13Å; G200-G202 PolarHBondContact O-N 3.07Å | ||
| 201 | P | 42.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 133 Ų | 133 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -66.5 | 132.5 | 178.1 | 27.6 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 202 | G | 48.8 | Very low | 40.3 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 97.6 | 37.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | G200 | G200-G202 PolarHBondContact O-N 3.07Š|
| 203 | Q | 39.3 | Very low | 39.4 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -140.3 | 51.8 | 163.3 | -153.6 | 167.3 | 105.6 | 0 | 0 | 115.3 | A205 | Q203-A205 HydrophobicContact CG-CB 4.43Å; Q203-A205 PolarHBondContact O-N 3.45Å; Q203-A205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | W | 36.3 | Very low | 38.9 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -81 | 53 | 157.2 | 38.2 | -95.2 | 0 | 0 | 0 | 111.2 | ||||
| 205 | A | 38.8 | Very low | 38 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 56% | 0.562 | 77% | 0.769 | S | S | * | * | trans | -92.3 | 119.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q203 R207 | Q203-A205 HydrophobicContact CG-CB 4.43Å; Q203-A205 PolarHBondContact O-N 3.45Å; Q203-A205 VanDerWaalsContact O-N 3.15Å; A205-R207 PolarHBondContact O-N 3.02Å | ||
| 206 | P | 42.8 | Very low | 37.9 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 137.6 | 174.7 | 26.1 | -33.1 | 0 | 0 | 0 | 109.4 | G208 | P206-G208 PolarHBondContact O-N 2.79Š| ||
| 207 | R | 38.1 | Very low | 37.7 | Very low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 77.2 | 179.7 | -80.5 | -77.9 | -167.6 | 146.8 | 3.3 | 110.8 | A205 I209 | A205-R207 PolarHBondContact O-N 3.02Å; R207-I209 PolarHBondContact O-N 3.15Å | ||
| 208 | G | 34.1 | Very low | 37.1 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -56.4 | 132.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P206 | P206-G208 PolarHBondContact O-N 2.79Š| ||
| 209 | I | 38.2 | Very low | 37.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 130 | 179.5 | -66.7 | 170.3 | 0 | 0 | 0 | 108.9 | R207 | R207-I209 PolarHBondContact O-N 3.15Š| ||
| 210 | L | 33.5 | Very low | 37.1 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -117.7 | 96.6 | 168.1 | -75.4 | 176.7 | 0 | 0 | 0 | 109.5 | ||||
| 211 | T | 30.6 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -155.9 | 146 | 162.1 | -73.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 212 | A | 33.1 | Very low | 37.3 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 114.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 213 | A | 34.7 | Very low | 36.3 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -77.2 | -177.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 214 | N | 36 | Very low | 35.8 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 84.6 | 52.9 | 170.2 | -54.2 | -5.9 | 0 | 0 | 0 | 118.1 | ||||
| 215 | G | 31 | Very low | 35.8 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 74.9 | -167.5 | 134.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 216 | W | 32 | Very low | 35.7 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | trans | 70.6 | 118.8 | -175.4 | -59.7 | 99.4 | 0 | 0 | 0 | 117.3 | ||||
| 217 | T | 40.5 | Very low | 35 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 140.6 | 175.1 | 47.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 218 | A | 36.6 | Very low | 34.8 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -137.6 | 124.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 219 | Q | 38.4 | Very low | 34.7 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 145.1 | 173.3 | -62.8 | 164.1 | -89.4 | 0 | 0 | 110 | A221 | Q219-A221 PolarHBondContact O-N 3.47Š|
| 220 | P | 38.3 | Very low | 35 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 119.7 | 163.1 | 30.1 | -31.3 | 0 | 0 | 0 | 109.9 | ||
| 221 | A | 34.8 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 152.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q219 | Q219-A221 PolarHBondContact O-N 3.47Š|
| 222 | P | 46.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 159.5 | -162 | 38.6 | -36.4 | 0 | 0 | 0 | 116 | ||
| 223 | G | 29.2 | Very low | 35.3 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 124.2 | 152.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 224 | W | 29.1 | Very low | 35 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | cis | -160.8 | 169.9 | -11.3 | -99.1 | 108.5 | 0 | 0 | 0 | 108.4 | ||||
| 225 | Q | 36.5 | Very low | 35.1 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | 73.4 | 114.6 | 178.8 | -51.9 | 172.7 | 59.9 | 0 | 0 | 112.7 | ||||
| 226 | Q | 35.9 | Very low | 35.1 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | cis | 67 | 137.7 | 23.2 | -117.9 | -175.8 | 18.4 | 0 | 0 | 113.1 | ||||
| 227 | A | 28.8 | Very low | 35 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 55% | 0.554 | 80% | 0.803 | S | S | * | * | cis | -140.5 | 179.3 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 228 | Y | 33.4 | Very low | 34.5 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | cis | -142.8 | 164.5 | 28.6 | -82.4 | -99.6 | 0 | 0 | 0 | 112.6 | ||||
| 229 | G | 31.7 | Very low | 34.2 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -97.9 | -141 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 230 | P | 44.3 | Very low | 33.9 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -138.2 | 168.1 | 19.2 | 44.5 | -27.8 | 0 | 0 | 0 | 117.5 | ||||
| 231 | Q | 35.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 58 | 134.1 | 166.6 | -38.5 | -49.9 | 0.9 | 0 | 0 | 119.8 | ||||
| 232 | G | 33.9 | Very low | 33.8 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | 174.9 | 170.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 233 | V | 34.3 | Very low | 33 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 66.6 | 112.7 | 170.5 | -169.1 | 0 | 0 | 0 | 0 | 117.6 | V235 | V233-V235 HydrophobicContact CG1-CG2 4.15Š| ||
| 234 | W | 29 | Very low | 32.9 | Very low | 252 Ų | 252 | 134.8 Ų | 134.8 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -103.5 | 147.3 | 156.3 | -67.3 | 85 | 0 | 0 | 0 | 109.4 | ||||
| 235 | V | 37.9 | Very low | 33.1 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -135.4 | 145.7 | 162.2 | 178 | 0 | 0 | 0 | 0 | 108.9 | V233 | V233-V235 HydrophobicContact CG1-CG2 4.15Š| ||
| 236 | S | 30.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -93.8 | 178.1 | -165 | -60.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 237 | A | 29.2 | Very low | 33.7 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -71.4 | 166.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 238 | A | 30.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 76.3 | 125.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 239 | G | 30.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 149.6 | 105.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 240 | Q | 32.5 | Very low | 33.7 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -98.1 | 170.6 | 153.3 | -70.8 | -82.9 | -13.7 | 0 | 0 | 107.1 | ||||
| 241 | P | 40.8 | Very low | 33.1 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -142.5 | -163.5 | 9.3 | 44.5 | -25.4 | 0 | 0 | 0 | 115.4 | ||||
| 242 | I | 28.4 | Very low | 32.9 | Very low | 164 Ų | 164 | 124 Ų | 124 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 77.5 | 125.4 | 153.3 | -69.1 | 167.2 | 0 | 0 | 0 | 120.3 | ||||
| 243 | G | 30.1 | Very low | 32.7 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 85.5 | 138.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 244 | G | 27.9 | Very low | 32.5 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 175 | 173.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 245 | Y | 32.1 | Very low | 33 | Very low | 239 Ų | 239 | 124.8 Ų | 124.8 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | trans | 66 | 97.6 | 173.6 | -76.2 | -85.1 | 0 | 0 | 0 | 120 | ||||
| 246 | V | 32.3 | Very low | 33.8 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -81.8 | 164 | 136.7 | -57 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 247 | P | 53 | Low | 33.9 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -122.7 | -179.4 | 65.7 | 3 | 22.6 | 0 | 0 | 0 | 112.9 | |||||
| 248 | S | 28.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | cis | -159.6 | 155.8 | 32 | -146.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 249 | L | 32.8 | Very low | 35.4 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 33 | 143.2 | 149.5 | -60.7 | 166.8 | 0 | 0 | 0 | 121.7 | ||||
| 250 | S | 32.7 | Very low | 36.1 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | cis | -177.4 | 137.9 | -16.2 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 251 | A | 31.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | 57.9 | 143.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 252 | G | 30.1 | Very low | 37.7 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -177.4 | -14.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 253 | R | 30.8 | Very low | 38 | Very low | 255 Ų | 255 | 131.5 Ų | 131.5 | 96% | 0.962 | 81% | 0.807 | S | S | * | * | trans | 32.1 | 108 | 160.7 | -172.3 | -169.7 | -168 | 178.3 | 5.1 | 119.4 | ||||
| 254 | G | 30.3 | Very low | 38.5 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 175.9 | 80.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 255 | T | 39.1 | Very low | 38.7 | Very low | 148 Ų | 148 | 136 Ų | 136 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | trans | 45.4 | 156.1 | 137.9 | 44.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 256 | P | 55 | Low | 39.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -116 | 170.8 | -166 | 43.2 | -33.2 | 0 | 0 | 0 | 116.6 | ||||
| 257 | T | 33.4 | Very low | 39.1 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 93% | 0.933 | 82% | 0.815 | S | S | * | * | trans | -155.2 | 164.6 | 161.4 | 6.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 258 | Q | 40.7 | Very low | 38.3 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 164.2 | -176.3 | -85.5 | 176.3 | -109.1 | 0 | 0 | 115.5 | ||
| 259 | P | 51.3 | Low | 38.4 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 147.3 | 163.6 | 35.3 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 260 | P | 44.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 162.1 | 166.8 | 35.8 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 261 | S | 42.9 | Very low | 39.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 166.1 | 170.7 | -83.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 262 | P | 64.2 | Low | 39.4 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 161.7 | -158.7 | 36.5 | -37 | 0 | 0 | 0 | 114.6 | ||
| 263 | F | 34.1 | Very low | 39.7 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -158.4 | 162.2 | 131.6 | -121.9 | -84.3 | 0 | 0 | 0 | 111.2 | ||||
| 264 | N | 41.2 | Very low | 39.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -81.9 | 151.8 | -168.7 | -62.3 | -55.3 | 0 | 0 | 0 | 114.6 | ||||
| 265 | A | 31.3 | Very low | 39.9 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -133.4 | 128 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | F | 40.1 | Very low | 39.5 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -85.8 | 131.4 | 174.6 | -76 | -101.4 | 0 | 0 | 0 | 110.3 | ||||
| 267 | L | 32.7 | Very low | 38.6 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -142.7 | 155.1 | 151.5 | -84.8 | -174.4 | 0 | 0 | 0 | 110.6 | ||||
| 268 | V | 35.8 | Very low | 39.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 145.1 | -173.8 | 78.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 269 | T | 31 | Very low | 39.2 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -165.7 | 157.2 | 141.8 | 14.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 270 | T | 42.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -89.4 | 162.2 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 271 | P | 42.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -107.4 | 154.5 | 144 | 35.3 | -29.1 | 0 | 0 | 0 | 111.3 | ||||
| 272 | A | 34.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -97.6 | 162.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 273 | G | 35.1 | Very low | 37.1 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -148.3 | 139 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 274 | S | 33 | Very low | 37.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -135.4 | 152.7 | -165.2 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 275 | F | 32.1 | Very low | 36.8 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | 63.4 | 148.7 | 163.2 | 95.9 | -97.1 | 0 | 0 | 0 | 117.1 | ||||
| 276 | A | 32.5 | Very low | 37.1 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | -153 | 175.1 | -14.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 277 | A | 34.1 | Very low | 36.8 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -112.6 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 278 | P | 52 | Low | 37 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | -156 | -176.7 | 81.9 | 41.4 | -20.8 | 0 | 0 | 0 | 117.9 | |||||
| 279 | Q | 35.6 | Very low | 37.3 | Very low | 196 Ų | 196 | 127.7 Ų | 127.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 137.7 | 168 | -59.2 | -174.4 | -16.2 | 0 | 0 | 118.8 | ||||
| 280 | G | 30.2 | Very low | 38.1 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 171.1 | 135.7 | -15.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 281 | Y | 38.7 | Very low | 37.8 | Very low | 235 Ų | 235 | 127.4 Ų | 127.4 | 92% | 0.922 | 77% | 0.769 | S | S | * | * | trans | 67.1 | 163.7 | 162.4 | -61.6 | -76.2 | 0 | 0 | 0 | 119.6 | ||||
| 282 | P | 55.1 | Low | 37.4 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | -142.3 | 158.4 | -59 | 39.2 | -22.9 | 0 | 0 | 0 | 116.6 | |||||
| 283 | Q | 35.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 168.6 | 149.2 | 117.7 | -96.2 | -67.5 | 34 | 0 | 0 | 118 | |||||
| 284 | Q | 34.8 | Very low | 37.2 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 46 | 133.7 | 157.1 | -58.4 | -147.6 | 20.3 | 0 | 0 | 124.3 | ||||
| 285 | G | 33.1 | Very low | 37 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 167.4 | 102 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 286 | Y | 38.6 | Very low | 37.2 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -49.8 | 132.9 | 176.3 | -70.8 | -107 | 0 | 0 | 0 | 112.3 | ||||
| 287 | S | 33.9 | Very low | 37.1 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | 66.4 | 129.5 | 57.4 | 86.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 288 | T | 35.7 | Very low | 37.3 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | cis | -148.2 | 172.5 | 15.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 289 | A | 41.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -114.2 | 169.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 290 | P | 48.7 | Very low | 37.1 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -142.9 | -176.9 | 89.6 | 44.3 | -29 | 0 | 0 | 0 | 112.3 | |||||
| 291 | Q | 34.8 | Very low | 37.5 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | cis | 79.6 | 143.6 | 16.5 | -55 | -64.5 | 13.3 | 0 | 0 | 116.3 | ||||
| 292 | F | 34.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | cis | -143.9 | 169.2 | -2.9 | -78.5 | -66 | 0 | 0 | 0 | 109.8 | ||||
| 293 | G | 30.8 | Very low | 36.7 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 173.8 | 125.3 | 162 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 294 | Y | 35.2 | Very low | 36.8 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 177.3 | 177.5 | -57.3 | -96.2 | 0 | 0 | 0 | 113.3 | ||||
| 295 | S | 30.1 | Very low | 37.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | -160.1 | -173.5 | 20 | -156.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 296 | F | 34.8 | Very low | 37.9 | Very low | 207 Ų | 207 | 140 Ų | 140 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 157 | -179.2 | -104.8 | -114.8 | 0 | 0 | 0 | 115.8 | ||||
| 297 | G | 31.2 | Very low | 37.9 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 178.5 | 130.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 298 | T | 39.6 | Very low | 38.7 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -154.1 | 167.2 | 172.3 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 299 | P | 50.3 | Low | 39.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -121.2 | 165.5 | -29.2 | 37.3 | -24.6 | 0 | 0 | 0 | 112.3 | ||||
| 300 | Q | 32.9 | Very low | 41 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -144.3 | 146.1 | 156 | -169.6 | 166.5 | -37.1 | 0 | 0 | 109.6 | ||||
| 301 | A | 38.5 | Very low | 41.5 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 143.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 302 | D | 36.6 | Very low | 42.4 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -152.9 | 164.8 | 149.6 | -139.4 | -47.8 | 0 | 0 | 0 | 110.2 | ||||
| 303 | Q | 39.2 | Very low | 42.9 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -95.8 | 141 | -173.9 | -63.2 | -172.4 | -42.5 | 0 | 0 | 112.9 | ||||
| 304 | Y | 38.9 | Very low | 43.9 | Very low | 204 Ų | 204 | 141.2 Ų | 141.2 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -152.1 | 150.7 | 145.9 | -142.3 | -101 | 0 | 0 | 0 | 113 | ||||
| 305 | A | 44.2 | Very low | 44.3 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 57% | 0.57 | 80% | 0.804 | S | S | * | * | trans | -124.2 | 151.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 306 | P | 46.1 | Very low | 44.5 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 132.5 | -176.9 | 28.6 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 307 | Q | 38.9 | Very low | 44.6 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -84.6 | 153.8 | 177.5 | -71.7 | -167.1 | -66.5 | 0 | 0 | 113.5 | ||||
| 308 | V | 51 | Low | 44.9 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -105.6 | 149.3 | 167.2 | -72.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 309 | P | 58.8 | Low | 44.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 150.5 | -178.9 | 32.4 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 310 | P | 65.9 | Low | 44.1 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 163 | -179.8 | 36.4 | -36.3 | 0 | 0 | 0 | 114.4 | ||
| 311 | P | 60.2 | Low | 44.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 162.5 | 175 | 34.4 | -36.3 | 0 | 0 | 0 | 113.7 | ||
| 312 | P | 53.7 | Low | 44 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 159.8 | 179.5 | 32.2 | -36.4 | 0 | 0 | 0 | 113.8 | ||
| 313 | T | 43.8 | Very low | 43.9 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -106.4 | 153.9 | -176.1 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 314 | T | 52.5 | Low | 44.6 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -120.9 | 130 | 176.4 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 315 | P | 43.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -94.5 | 146 | 177.4 | 35.3 | -32.8 | 0 | 0 | 0 | 113.1 | ||||
| 316 | G | 34.2 | Very low | 44.1 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 159.5 | 107.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 317 | T | 36.9 | Very low | 43.8 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -117.5 | 131.9 | -170.8 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 318 | A | 36.3 | Very low | 44 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -156.4 | 160.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 319 | T | 37.3 | Very low | 43.7 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -134.3 | -177.6 | -162.1 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 320 | L | 36.8 | Very low | 42.7 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 85.1 | 126.8 | 174.7 | -45.5 | 177.6 | 0 | 0 | 0 | 115.4 | ||||
| 321 | G | 33.3 | Very low | 41.4 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 174.7 | 163.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 322 | F | 35.7 | Very low | 40.6 | Very low | 224 Ų | 224 | 130.4 Ų | 130.4 | 98% | 0.982 | 81% | 0.814 | S | S | * | * | trans | 66.9 | 166.1 | 170.1 | -76.4 | -92.8 | 0 | 0 | 0 | 119.3 | ||||
| 323 | A | 34.7 | Very low | 40 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -146.7 | -170 | -161.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 324 | P | 53.4 | Low | 39.6 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | cis | -138.8 | 178.1 | 0.8 | 43.4 | -25.1 | 0 | 0 | 0 | 117 | ||||
| 325 | A | 35.2 | Very low | 38.7 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | 35.8 | 126.9 | 147 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 326 | T | 38.8 | Very low | 39.3 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -179.6 | 146.5 | 101.3 | 26.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 327 | T | 39.2 | Very low | 39.4 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -91.1 | 152.2 | 161.9 | -1.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 328 | P | 43.5 | Very low | 39.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | -151.1 | 171.1 | 86.2 | 40 | -22 | 0 | 0 | 0 | 117.1 | |||||
| 329 | T | 43.9 | Very low | 39.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -76.6 | 139.1 | 169.2 | -44.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 330 | Q | 38.2 | Very low | 40.2 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 132.9 | 138.8 | -74.9 | -147.4 | -29.7 | 0 | 0 | 107.2 | ||||
| 331 | D | 38.7 | Very low | 40 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | 52.4 | 122.2 | 80.9 | -157.9 | -83.6 | 0 | 0 | 0 | 113.8 | |||||
| 332 | L | 42.9 | Very low | 40.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -151.3 | 117.8 | 168.5 | -155.4 | 76.6 | 0 | 0 | 0 | 110.5 | ||||
| 333 | S | 40.7 | Very low | 40.8 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -123.3 | 136.8 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 334 | K | 35.3 | Very low | 40.8 | Very low | 210 Ų | 210 | 133.6 Ų | 133.6 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 73.1 | 171.7 | 172.6 | -131.7 | 169.9 | -177.2 | 177.6 | 0 | 116.6 | ||||
| 335 | A | 34.2 | Very low | 40 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -155.1 | -165.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | P | 56 | Low | 40 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -128.2 | 167.2 | -61.1 | 35.2 | -21.2 | 0 | 0 | 0 | 113.9 | |||||
| 337 | T | 36.2 | Very low | 40 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 95% | 0.945 | 75% | 0.747 | S | S | * | * | trans | -155.5 | 155.6 | 161.6 | 35.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 338 | G | 34.8 | Very low | 39.6 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | cis | -166.2 | 163.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 339 | Q | 38.2 | Very low | 39.1 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -89.8 | 172.5 | -173.1 | -135 | -154.1 | -37.6 | 0 | 0 | 112.9 | D341 | Q339-D341 PolarHBondContact NE2-O 3.44Š| ||
| 340 | P | 54.6 | Low | 38.7 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | -130.8 | -167.5 | 65 | 42.9 | -27.6 | 0 | 0 | 0 | 112.4 | |||||
| 341 | D | 33.1 | Very low | 38.5 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | cis | -146.7 | -137.2 | 11.2 | -160.6 | -105.5 | 0 | 0 | 0 | 113.1 | Q339 | Q339-D341 PolarHBondContact NE2-O 3.44Š| ||
| 342 | F | 35.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -137.8 | -175.9 | -156.9 | -70.6 | -64.6 | 0 | 0 | 0 | 112.4 | ||||
| 343 | P | 51.1 | Low | 37.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -145.9 | 168.3 | 14.4 | 45 | -25.7 | 0 | 0 | 0 | 120.8 | ||||
| 344 | Y | 32.9 | Very low | 37.6 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 58.6 | 143.6 | 147.9 | -108.1 | -139.9 | 0 | 0 | 0 | 120.5 | ||||
| 345 | S | 38.6 | Very low | 37.5 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 48% | 0.476 | 73% | 0.732 | S | S | . | * | cis | -158.3 | 141.2 | -3.6 | -126.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 346 | Q | 33.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 54% | 0.537 | 74% | 0.743 | S | S | . | * | 76.6 | 132 | 92.2 | -152 | -175.4 | 9 | 0 | 0 | 112.5 | |||||
| 347 | Y | 39.1 | Very low | 36.6 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | cis | -141.1 | 172 | 40.3 | -79.6 | -99 | 0 | 0 | 0 | 116 | ||||
| 348 | A | 31.3 | Very low | 37 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -34.9 | 156.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 349 | Y | 32.4 | Very low | 37 | Very low | 245 Ų | 245 | 137 Ų | 137 | 96% | 0.961 | 74% | 0.739 | S | S | * | * | cis | 84.9 | 130.4 | 38.4 | -102.9 | -80.7 | 0 | 0 | 0 | 116.9 | ||||
| 350 | G | 35.5 | Very low | 37.1 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 113.3 | 157.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 351 | Q | 35.1 | Very low | 36 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -176.7 | 157.1 | -47.6 | 166.7 | 170 | -3.7 | 0 | 0 | 108.9 | ||||
| 352 | D | 32.3 | Very low | 36 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 114.7 | 160.2 | -97.9 | -127.9 | 0 | 0 | 0 | 123.3 | ||||
| 353 | L | 34.5 | Very low | 36.7 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | 50.5 | 139.9 | 123.6 | -70.2 | -179.7 | 0 | 0 | 0 | 125.3 | |||||
| 354 | T | 35.4 | Very low | 36 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 63.3 | 111.4 | 150.8 | 51 | 0 | 0 | 0 | 0 | 121 | ||||
| 355 | A | 33.9 | Very low | 36.3 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | -168.1 | 142.7 | 125.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 356 | F | 35.1 | Very low | 36.9 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | 50.7 | 126.6 | 148.7 | -94.2 | -104.1 | 0 | 0 | 0 | 123.5 | ||||
| 357 | G | 35.3 | Very low | 36.8 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | 113.7 | 84.3 | 115.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 358 | H | 45.7 | Very low | 36.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 148.8 | 158.3 | -65.3 | -82.2 | 0 | 0 | 0 | 111.2 | ||||
| 359 | S | 34.4 | Very low | 36.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -151.3 | 146.5 | 146.3 | -160.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 360 | F | 39 | Very low | 36.9 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -106.9 | 160.1 | 170.8 | -79.3 | -116.5 | 0 | 0 | 0 | 108.8 | ||||
| 361 | G | 33.1 | Very low | 36.8 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 173.6 | 130.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 362 | D | 31.9 | Very low | 37 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -117.2 | -146.7 | 179.3 | -170.1 | 35.6 | 0 | 0 | 0 | 110.4 | ||||
| 363 | P | 51 | Low | 38 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | -101.4 | 160 | -113.3 | 36.9 | -26.2 | 0 | 0 | 0 | 115.4 | |||||
| 364 | S | 35.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 147.7 | 152.1 | 43.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 365 | Q | 39.5 | Very low | 38.3 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -113.8 | 179.4 | 173.9 | -89.3 | -159.8 | 16.7 | 0 | 0 | 109.1 | ||||
| 366 | P | 50.9 | Low | 38.7 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -136.1 | -174.1 | 5.7 | 33.1 | -10.7 | 0 | 0 | 0 | 116 | ||||
| 367 | A | 31.2 | Very low | 39.5 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 127.3 | 123.6 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 368 | A | 34 | Very low | 39.7 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | 57.1 | 109.1 | 133 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 369 | S | 36.3 | Very low | 39.4 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | 68.4 | 165 | 117.6 | -149.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 370 | Y | 35.8 | Very low | 39.7 | Very low | 227 Ų | 227 | 124 Ų | 124 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 66.7 | 145.7 | -175.6 | -52.2 | -84.1 | 0 | 0 | 0 | 115.2 | ||||
| 371 | G | 32.9 | Very low | 40.6 | Very low | 79 Ų | 79 | 120.4 Ų | 120.4 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | cis | -175.9 | 164.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 372 | A | 38 | Very low | 41.1 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -137.2 | -176 | 176 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 373 | P | 54.5 | Low | 42.2 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -136 | -170.7 | -2.2 | 44.2 | -27 | 0 | 0 | 0 | 114 | ||||
| 374 | T | 36.2 | Very low | 41.8 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | 170 | 156 | 148.8 | 27.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 375 | A | 40.3 | Very low | 42 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -160.4 | 157.9 | -28.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 376 | Q | 41.8 | Very low | 42 | Very low | 192 Ų | 192 | 118 Ų | 118 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -111.1 | 150.1 | 173 | -67.4 | 178.4 | -85.7 | 0 | 0 | 111.7 | ||||
| 377 | P | 51.8 | Low | 41.4 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -88.8 | 159.2 | 165.3 | 35.1 | -32.2 | 0 | 0 | 0 | 113 | ||||
| 378 | A | 40.4 | Very low | 41.6 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -111.5 | -168.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 379 | A | 37.9 | Very low | 41.6 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | cis | -164 | 162 | 12.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 380 | A | 42.2 | Very low | 41.7 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 50.6 | 169.7 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 381 | P | 57.4 | Low | 41.8 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -133.9 | -175.6 | 4.6 | 42.9 | -25.2 | 0 | 0 | 0 | 117.2 | ||||
| 382 | Q | 42.8 | Very low | 42.3 | Very low | 184 Ų | 184 | 126 Ų | 126 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -127.3 | 168.8 | 169 | -58.3 | 177.8 | -61.5 | 0 | 0 | 111.2 | ||||
| 383 | P | 56.4 | Low | 42.4 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -111.1 | 130.2 | 142 | 33 | -22.7 | 0 | 0 | 0 | 110.7 | ||||
| 384 | A | 42.3 | Very low | 41.9 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 70.2 | 133 | 74.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 385 | A | 39 | Very low | 42.3 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -153.2 | -160.3 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 386 | S | 39.3 | Very low | 42.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -160.6 | 134.7 | 12.9 | -93 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 387 | A | 37.9 | Very low | 42.7 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | 96.6 | 148 | 90.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 388 | F | 35.8 | Very low | 42.2 | Very low | 216 Ų | 216 | 128 Ų | 128 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | 69.2 | 137.1 | 177.9 | -51.3 | -82.7 | 0 | 0 | 0 | 118.3 | ||||
| 389 | G | 35.4 | Very low | 42.3 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | 173 | 138.2 | -14.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 390 | R | 37.9 | Very low | 43.1 | Very low | 263 Ų | 263 | 136.6 Ų | 136.6 | 99% | 0.992 | 79% | 0.788 | S | S | * | * | trans | 60 | 141 | 156.7 | -82.4 | -174.2 | 168.7 | -175.7 | -2.5 | 123.4 | ||||
| 391 | G | 36.6 | Very low | 43.9 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 92.7 | 114.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 392 | Q | 44.9 | Very low | 43.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 70.1 | 91 | 15.9 | -149.6 | -157.7 | 68.1 | 0 | 0 | 115.5 | ||||
| 393 | N | 40.4 | Very low | 43.8 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | 170.3 | 141.5 | 110 | -92.5 | -61.3 | 0 | 0 | 0 | 116.8 | |||||
| 394 | H | 43.2 | Very low | 43.6 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | 72 | 138.5 | 143.1 | -80 | 70.4 | 0 | 0 | 0 | 124.6 | ||||
| 395 | N | 45.6 | Very low | 43.6 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -88.9 | 140.8 | 171.4 | 143.1 | 96.4 | 0 | 0 | 0 | 111.1 | ||||
| 396 | V | 43.2 | Very low | 43.9 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -145.6 | 147 | 163.8 | -160 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 397 | Q | 47.3 | Very low | 44.1 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 148.9 | 174 | -64.1 | 166.2 | -30.9 | 0 | 0 | 111.4 | ||||
| 398 | G | 40.1 | Very low | 44.5 | Very low | 60 Ų | 60 | 166.7 Ų | 166.7 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 65 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H400 | G398-H400 PolarHBondContact O-ND1 3.43Š| ||
| 399 | F | 42 | Very low | 45.1 | Very low | 192 Ų | 192 | 163.6 Ų | 163.6 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -56.5 | 130.8 | 177.7 | -155.3 | -89 | 0 | 0 | 0 | 112.1 | ||||
| 400 | H | 55.3 | Low | 45.7 | Very low | 174 Ų | 174 | 169.7 Ų | 169.7 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -132.4 | 113 | 176.8 | -82.2 | 81 | 0 | 0 | 0 | 111.7 | G398 | G398-H400 PolarHBondContact O-ND1 3.43Š| ||
| 401 | P | 60.2 | Low | 46.3 | Very low | 91 Ų | 91 | 163.1 Ų | 163.1 | 59% | 0.591 | 80% | 0.801 | S | S | * | * | trans | -94.8 | -170.2 | 177 | 38.5 | -34.9 | 0 | 0 | 0 | 112.8 | ||||
| 402 | Y | 49.6 | Very low | 47 | Very low | 219 Ų | 219 | 169.9 Ų | 169.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | 75.7 | 111.6 | -167.1 | -62.6 | -86.7 | 0 | 0 | 0 | 113 | ||||
| 403 | R | 48.1 | Very low | 47.2 | Very low | 236 Ų | 236 | 169.8 Ų | 169.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | cis | 71.3 | 94.3 | 19.8 | -159.3 | -161 | -167.5 | -171.1 | 7.5 | 115.3 | ||||
| 404 | R | 51.3 | Low | 47.8 | Very low | 315 Ų | 315 | 174.9 Ų | 174.9 | 100% | 1.189 | 82% | 0.822 | S | S | * | * | -140 | 0 | 119.5 | -143.5 | 175.9 | -159.8 | -113.1 | 2.8 | 110.5 |
Retrieved 404 of 404 residues in 51.2 ms
(Link to these results)