| 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 | 37.1 | Very low | 33.3 | Very low | 65 Ų | 65 | 81.6 Ų | 81.6 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | 0 | -29.5 | 0 | -89.2 | -168.6 | -77.9 | 0 | 0 | 112.2 | D3 V4 V5 L88 Y153 | M1-D3 PolarHBondContact O-N 2.91Å; M1-D3 VanDerWaalsContact O-N 3.12Å; M1-V4 PolarHBondContact O-N 3.48Å; M1-V5 HydrophobicContact CB-CG2 3.83Å; M1-V5 HydrophobicContact CG-CG2 4.18Å; M1-V5 WeakPolarHBondContact O-CB 3.23Å; M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 3.21Å; M1-V5 HydrophobicContact SD-CG2 4.44Å; M1-L88 HydrophobicContact CE-CB 4.44Å; M1-L88 HydrophobicContact SD-CB 4.22Å; M1-L88 HydrophobicContact SD-CD1 3.69Å; M1-L88 HydrophobicContact SD-CD2 4.45Å; M1-L88 HydrophobicContact SD-CG 4.33Å; M1-Y153 HydrophobicContact CE-CE2 4.4Å; M1-Y153 HydrophobicContact CG-CE2 3.97Å; M1-Y153 PolarHBondContact N-OH 2.83Å | |||
| 2 | K | 30.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 80.5 Ų | 80.5 | 65% | 0.652 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | -42.3 | 173 | -104.5 | -170.3 | 175.5 | -170.8 | 0 | 114.7 | P50 | K2-P50 HydrophobicContact CD-CB 4.37Å; K2-P50 VanDerWaalsContact CE-CG 3.49Å; K2-P50 HydrophobicContact CG-CB 4.32Å |
| 3 | D | 31 | Very low | 34.4 | Very low | 143 Ų | 143 | 87.7 Ų | 87.7 | 77% | 0.765 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.4 | -179.3 | -54.9 | -43.1 | 0 | 0 | 0 | 114.7 | M1 | M1-D3 PolarHBondContact O-N 2.91Å; M1-D3 VanDerWaalsContact O-N 3.12Å |
| 4 | V | 36 | Very low | 35.1 | Very low | 36 Ų | 36 | 92.2 Ų | 92.2 | 22% | 0.218 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -29.3 | -173.8 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | M1 I6 A158 | M1-V4 PolarHBondContact O-N 3.48Å; V4-I6 PolarHBondContact O-N 2.83Å; V4-I6 VanDerWaalsContact O-N 3.15Å; V4-A158 HydrophobicContact CB-CB 4Å; V4-A158 HydrophobicContact CG1-CB 3.22Å; V4-A158 HydrophobicContact CG2-CB 3.68Å |
| 5 | V | 34.7 | Very low | 35.8 | Very low | 40 Ų | 40 | 89.5 Ų | 89.5 | 24% | 0.242 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -87.6 | 93.3 | -170.9 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | M1 L88 | M1-V5 HydrophobicContact CB-CG2 3.83Å; M1-V5 HydrophobicContact CG-CG2 4.18Å; M1-V5 WeakPolarHBondContact O-CB 3.23Å; M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 3.21Å; M1-V5 HydrophobicContact SD-CG2 4.44Å; V5-L88 HydrophobicContact CG2-CD1 4.18Å |
| 6 | I | 36.4 | Very low | 37 | Very low | 28 Ų | 28 | 86.2 Ų | 86.2 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | trans | 79.4 | 58.4 | 154.8 | -49.4 | 163.5 | 0 | 0 | 0 | 113.9 | V4 T8 V9 F42 L46 F161 | V4-I6 PolarHBondContact O-N 2.83Å; V4-I6 VanDerWaalsContact O-N 3.15Å; I6-T8 VanDerWaalsContact C-N 3.32Å; I6-V9 HydrophobicContact CG1-CG2 4.43Å; I6-V9 HydrophobicContact CG2-CG2 3.71Å; I6-F42 HydrophobicContact CD1-CE1 3.6Å; I6-F42 HydrophobicContact CD1-CZ 3.69Å; I6-F42 HydrophobicContact CG2-CE1 4.08Å; I6-L46 HydrophobicContact CB-CD1 4.14Å; I6-L46 HydrophobicContact CD1-CD1 3.32Å; I6-L46 HydrophobicContact CD1-CD2 4.4Å; I6-L46 HydrophobicContact CG1-CD1 4.31Å; I6-L46 HydrophobicContact CG2-CD1 4.18Å; I6-F161 HydrophobicContact CG1-CE1 4.27Å; I6-F161 HydrophobicContact CG1-CZ 4.33Å | ||
| 7 | Q | 28.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 86.3 Ų | 86.3 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -73.1 | -27.4 | 161.1 | -73.9 | -164.2 | -7 | 0 | 0 | 112.2 | ||
| 8 | T | 31.7 | Very low | 40.8 | Very low | 125 Ų | 125 | 86.3 Ų | 86.3 | 77% | 0.767 | 44% | 0.442 | S | S | * | . | trans | -156.1 | 115.6 | 174.6 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | I6 | I6-T8 VanDerWaalsContact C-N 3.32Š| ||
| 9 | V | 33.4 | Very low | 43 | Very low | 17 Ų | 17 | 83.4 Ų | 83.4 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | trans | -100.8 | 95.9 | 157 | 174.9 | 0 | 0 | 0 | 0 | 105.7 | I6 A11 M165 | I6-V9 HydrophobicContact CG1-CG2 4.43Å; I6-V9 HydrophobicContact CG2-CG2 3.71Å; V9-A11 HydrophobicContact CG1-CB 3.94Å; V9-A11 PolarHBondContact O-N 3.23Å; V9-M165 HydrophobicContact CG1-CE 3.86Å; V9-M165 HydrophobicContact CG2-CE 4.34Å | ||
| 10 | S | 32.6 | Very low | 45.1 | Very low | 101 Ų | 101 | 81.3 Ų | 81.3 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | trans | -78.1 | 75.7 | 169 | 52.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 11 | A | 34.6 | Very low | 47 | Very low | 24 Ų | 24 | 79 Ų | 79 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | trans | -76.7 | 135.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | V9 R13 Y169 | V9-A11 HydrophobicContact CG1-CB 3.94Å; V9-A11 PolarHBondContact O-N 3.23Å; A11-R13 VanDerWaalsContact C-N 3.31Å; A11-R13 PolarHBondContact O-N 2.89Å; A11-Y169 HydrophobicContact CB-CE1 3.56Å; A11-Y169 VanDerWaalsContact CB-OH 3.25Å; A11-Y169 WeakPolarHBondContact CB-OH 3.38Å | ||
| 12 | N | 39.1 | Very low | 49.3 | Very low | 68 Ų | 68 | 77.6 Ų | 77.6 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | trans | -69.3 | 94.6 | 159.2 | -169.8 | -9.1 | 0 | 0 | 0 | 107.6 | H14 N15 L170 | N12-H14 PolarHBondContact O-N 2.99Å; N12-H14 PolarHBondContact OD1-CD2 3.44Å; N12-N15 PolarHBondContact O-N 2.77Å; N12-L170 HydrophobicContact CB-CD2 3.86Å | ||
| 13 | R | 42 | Very low | 51.8 | Low | 174 Ų | 174 | 71.7 Ų | 71.7 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -18.8 | -176.1 | -77.5 | -172.1 | -179.5 | -171.8 | -0.7 | 113.8 | A11 N15 | A11-R13 VanDerWaalsContact C-N 3.31Å; A11-R13 PolarHBondContact O-N 2.89Å; R13-N15 VanDerWaalsContact C-N 3.34Å; R13-N15 PolarHBondContact O-N 3.23Å |
| 14 | H | 44 | Very low | 54.4 | Low | 151 Ų | 151 | 66.4 Ų | 66.4 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.1 | -176.2 | -69.1 | -52.5 | 0 | 0 | 0 | 114.1 | N12 | N12-H14 PolarHBondContact O-N 2.99Å; N12-H14 PolarHBondContact OD1-CD2 3.44Å |
| 15 | N | 46 | Very low | 56.8 | Low | 52 Ų | 52 | 65.4 Ų | 65.4 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -20.6 | 179.6 | -70.7 | -6.2 | 0 | 0 | 0 | 113.4 | N12 R13 Y292 | N12-N15 PolarHBondContact O-N 2.77Å; R13-N15 VanDerWaalsContact C-N 3.34Å; R13-N15 PolarHBondContact O-N 3.23Å; N15-Y292 VanDerWaalsContact OD1-CD2 3.25Å; N15-Y292 WeakPolarHBondContact OD1-CD2 3.33Å |
| 16 | Y | 55.7 | Low | 59.1 | Low | 36 Ų | 36 | 64.1 Ų | 64.1 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | trans | -138.5 | 108 | -169.2 | -54.2 | -76.1 | 0 | 0 | 0 | 110.6 | S82 Y169 | Y16-S82 VanDerWaalsContact CE1-O 3.26Å; Y16-S82 WeakPolarHBondContact CE1-O 3.45Å; Y16-S82 PolarHBondContact OH-O 3.39Å; Y16-Y169 VanDerWaalsContact CB-OH 3.23Å; Y16-Y169 WeakPolarHBondContact CB-OH 3.44Å; Y16-Y169 HydrophobicContact CD1-CE2 4.24Å; Y16-Y169 HydrophobicContact CD2-CD2 4.24Å; Y16-Y169 AromaticContact CD2-CE1 3.79Å; Y16-Y169 HydrophobicContact CD2-CE1 3.79Å; Y16-Y169 AromaticContact CD2-CE2 3.41Å; Y16-Y169 HydrophobicContact CD2-CE2 3.41Å; Y16-Y169 VanDerWaalsContact CD2-CE2 3.41Å; Y16-Y169 AromaticContact CD2-CZ 3.16Å; Y16-Y169 WeakPolarHBondContact CD2-OH 3.3Å; Y16-Y169 HydrophobicContact CE1-CE2 4.39Å; Y16-Y169 HydrophobicContact CE2-CD1 4.38Å; Y16-Y169 AromaticContact CE2-CD2 3.93Å; Y16-Y169 HydrophobicContact CE2-CD2 3.93Å; Y16-Y169 HydrophobicContact CE2-CE1 4.03Å; Y16-Y169 AromaticContact CE2-CE2 3.57Å; Y16-Y169 HydrophobicContact CE2-CE2 3.57Å; Y16-Y169 HydrophobicContact CE2-CG 4.34Å; Y16-Y169 AromaticContact CE2-CZ 3.64Å; Y16-Y169 WeakPolarHBondContact CE2-O 3.14Å; Y16-Y169 AromaticContact CG-CE2 3.75Å; Y16-Y169 HydrophobicContact CG-CE2 3.75Å; Y16-Y169 AromaticContact CG-CZ 3.72Å; Y16-Y169 PolarHBondContact OH-O 2.8Å | ||
| 17 | T | 63.9 | Low | 61.2 | Low | 88 Ų | 88 | 66.6 Ų | 66.6 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | trans | -85.7 | -15.8 | -175.4 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 18 | K | 78.5 | Confident | 63.7 | Low | 87 Ų | 87 | 63.3 Ų | 63.3 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -139.9 | 144.1 | -173.4 | -59.4 | -164.5 | 179 | -161.1 | 0 | 113.1 | F36 D37 R78 | K18-F36 WeakPolarHBondContact CA-O 3.46Å; K18-D37 WeakPolarHBondContact CE-OD1 3.47Å; K18-D37 IonicContact NZ-OD1 3.59Å; K18-D37 PolarHBondContact NZ-OD1 2.75Å; K18-R78 HydrophobicContact CD-CG 4.48Å | ||
| 19 | L | 81.2 | Confident | 66.1 | Low | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.9 | 171 | -60 | 170.9 | 0 | 0 | 0 | 108.9 | Y35 F36 V39 F42 | L19-Y35 CarbonylContact O-C 3.54Å; L19-Y35 VanDerWaalsContact O-CA 3.3Å; L19-Y35 WeakPolarHBondContact O-CA 3.49Å; L19-F36 PolarHBondContact N-O 2.81Å; L19-F36 PolarHBondContact O-N 3.32Å; L19-V39 HydrophobicContact CD1-CB 4.3Å; L19-V39 HydrophobicContact CD1-CG2 3.91Å; L19-F42 HydrophobicContact CB-CB 4.02Å; L19-F42 HydrophobicContact CB-CD1 4.19Å; L19-F42 HydrophobicContact CB-CD2 3.89Å; L19-F42 HydrophobicContact CB-CE2 4.35Å; L19-F42 HydrophobicContact CB-CG 3.79Å; L19-F42 HydrophobicContact CD1-CB 3.77Å; L19-F42 HydrophobicContact CD1-CD1 3.7Å; L19-F42 HydrophobicContact CD1-CE1 4.41Å; L19-F42 HydrophobicContact CD1-CG 3.86Å; L19-F42 HydrophobicContact CG-CD1 4.47Å; L19-F42 HydrophobicContact CG-CG 4.45Å |
| 20 | A | 84.9 | Confident | 68.5 | Low | 41 Ų | 41 | 61.2 Ų | 61.2 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I33 T34 Y35 F42 | A20-I33 HydrophobicContact CB-CG2 4.03Å; A20-T34 VanDerWaalsContact CA-O 3.27Å; A20-T34 WeakPolarHBondContact CA-O 3.12Å; A20-Y35 HydrophobicContact CB-CD1 3.38Å; A20-Y35 HydrophobicContact CB-CE1 3.74Å; A20-Y35 HydrophobicContact CB-CG 3.99Å; A20-F42 WeakPolarHBondContact O-CE2 3.35Å |
| 21 | M | 85.5 | Confident | 70.9 | Confident | 33 Ų | 33 | 60 Ų | 60 | 16% | 0.163 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152 | 166.1 | 57.9 | 175 | -68.6 | 0 | 0 | 110.5 | T34 F36 F42 A45 L46 | M21-T34 PolarHBondContact N-O 3.3Å; M21-T34 VanDerWaalsContact N-O 3.08Å; M21-T34 PolarHBondContact O-N 3Å; M21-T34 VanDerWaalsContact O-N 3.1Å; M21-F36 HydrophobicContact CG-CE2 3.91Å; M21-F42 HydrophobicContact CB-CE2 3.98Å; M21-F42 HydrophobicContact CG-CE2 4.31Å; M21-A45 HydrophobicContact SD-CB 4.07Å; M21-L46 HydrophobicContact CB-CD2 4.35Å; M21-L46 HydrophobicContact CE-CD2 3.85Å; M21-L46 HydrophobicContact SD-CB 4.4Å; M21-L46 HydrophobicContact SD-CD2 3.52Å; M21-L46 VanDerWaalsContact SD-CD2 3.52Å; M21-L46 HydrophobicContact SD-CG 3.7Å |
| 22 | V | 85.8 | Confident | 73.2 | Confident | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.218 | 36% | 0.364 | C | S | . | . | trans | -148.4 | 134.6 | 175.4 | 60 | 0 | 0 | 0 | 0 | 108.7 | L30 E31 I33 V68 | V22-L30 HydrophobicContact CG2-CD1 3.54Å; V22-E31 WeakPolarHBondContact CG2-O 3.45Å; V22-I33 HydrophobicContact CB-CB 4.36Å; V22-I33 HydrophobicContact CB-CG1 3.91Å; V22-I33 HydrophobicContact CB-CG2 4.49Å; V22-I33 HydrophobicContact CG1-CG1 4.27Å; V22-I33 HydrophobicContact CG2-CG1 3.91Å; V22-V68 HydrophobicContact CG1-CG1 3.55Å | ||
| 23 | Q | 83.4 | Confident | 75.5 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | trans | -92.7 | 131 | 166.9 | -55.6 | -166.5 | 5.3 | 0 | 0 | 108.3 | T26 E31 N49 P50 | Q23-T26 HydrophobicContact CB-CG2 4.28Å; Q23-E31 HydrophobicContact CB-CB 4.48Å; Q23-E31 HydrophobicContact CB-CG 4.22Å; Q23-E31 WeakPolarHBondContact O-CB 3.36Å; Q23-E31 PolarHBondContact O-N 3.01Å; Q23-N49 PolarHBondContact NE2-O 3.19Å; Q23-P50 PolarHBondContact NE2-O 3.08Å | ||
| 24 | F | 85.7 | Confident | 77.6 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -132 | 179.5 | 176.2 | 67.2 | -87.5 | 0 | 0 | 0 | 107.8 | T26 L30 D64 V65 V68 V89 | F24-T26 PolarHBondContact O-N 3.04Å; F24-L30 HydrophobicContact CB-CD1 3.78Å; F24-D64 WeakPolarHBondContact CB-OD1 3Å; F24-V65 HydrophobicContact CD2-CB 4.12Å; F24-V65 HydrophobicContact CE2-CB 3.76Å; F24-V65 HydrophobicContact CE2-CG2 3.87Å; F24-V65 HydrophobicContact CZ-CB 4.45Å; F24-V65 HydrophobicContact CZ-CG2 4.06Å; F24-V68 HydrophobicContact CB-CG2 3.48Å; F24-V68 VanDerWaalsContact CB-CG2 3.48Å; F24-V68 HydrophobicContact CD1-CG2 3.96Å; F24-V68 HydrophobicContact CD2-CG2 4.38Å; F24-V68 HydrophobicContact CG-CG2 3.7Å; F24-V89 HydrophobicContact CE2-CG1 4.27Å; F24-V89 HydrophobicContact CZ-CG1 4.02Å | ||
| 25 | D | 85.5 | Confident | 79.6 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 59.6 | 27.8 | -173 | -72.7 | -24.9 | 0 | 0 | 0 | 114.6 | A57 S63 D64 R91 | D25-A57 WeakPolarHBondContact O-CB 3.33Å; D25-A57 PolarHBondContact O-N 2.04Å; D25-S63 VanDerWaalsContact CG-OG 3.26Å; D25-S63 WeakPolarHBondContact OD1-CA 3.27Å; D25-S63 WeakPolarHBondContact OD1-CB 3.38Å; D25-S63 PolarHBondContact OD1-OG 3.23Å; D25-S63 PolarHBondContact OD2-OG 2.96Å; D25-D64 PolarHBondContact N-OD1 3.39Å; D25-D64 PolarHBondContact OD1-N 3.34Å; D25-R91 VanDerWaalsContact CG-NH2 3.33Å; D25-R91 IonicContact OD1-CZ 2.73Å; D25-R91 IonicContact OD1-NE 2.82Å; D25-R91 IonicContact OD1-NH2 3.81Å; D25-R91 PolarHBondContact OD1-NH2 3.1Å; D25-R91 IonicContact OD2-NE 2.67Å |
| 26 | T | 82.4 | Confident | 81.5 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -92.6 | 156.1 | 179.6 | 94.2 | 0 | 0 | 0 | 0 | 111.9 | Q23 F24 A28 G29 N55 | Q23-T26 HydrophobicContact CB-CG2 4.28Å; F24-T26 PolarHBondContact O-N 3.04Å; T26-A28 PolarHBondContact O-N 3.5Å; T26-A28 PolarHBondContact OG1-N 3Å; T26-A28 VanDerWaalsContact OG1-N 3.14Å; T26-G29 PolarHBondContact O-N 2.84Å; T26-G29 PolarHBondContact OG1-N 3.1Å; T26-G29 PolarHBondContact OG1-O 3.09Å; T26-N55 CarbonylContact C-O 3.5Å; T26-N55 WeakPolarHBondContact CA-O 3.27Å; T26-N55 WeakPolarHBondContact CB-O 3.5Å |
| 27 | A | 81.2 | Confident | 82.8 | Confident | 79 Ų | 79 | 58 Ų | 58 | 65% | 0.653 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N55 | A27-N55 PolarHBondContact N-O 2.98Š|
| 28 | A | 81 | Confident | 83.6 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 83% | 0.826 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T26 | T26-A28 PolarHBondContact O-N 3.5Å; T26-A28 PolarHBondContact OG1-N 3Å; T26-A28 VanDerWaalsContact OG1-N 3.14Å |
| 29 | G | 81.3 | Confident | 83.6 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | trans | 89.4 | -162.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T26 | T26-G29 PolarHBondContact O-N 2.84Å; T26-G29 PolarHBondContact OG1-N 3.1Å; T26-G29 PolarHBondContact OG1-O 3.09Å | ||
| 30 | L | 83.3 | Confident | 83.6 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 129.8 | 177.5 | 173.8 | 58.5 | 0 | 0 | 0 | 111.4 | V22 F24 D64 V68 | V22-L30 HydrophobicContact CG2-CD1 3.54Å; F24-L30 HydrophobicContact CB-CD1 3.78Å; L30-D64 WeakPolarHBondContact CA-OD2 3.48Å; L30-D64 WeakPolarHBondContact CB-OD2 3.41Å; L30-D64 PolarHBondContact N-OD2 3Å; L30-V68 HydrophobicContact CD1-CG2 3.46Å; L30-V68 VanDerWaalsContact CD1-CG2 3.46Å; L30-V68 HydrophobicContact CD2-CG2 4.34Å |
| 31 | E | 84.2 | Confident | 83.5 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 158.7 | 167 | -61.9 | -172.5 | 177.1 | 0 | 0 | 111.6 | V22 Q23 | V22-E31 WeakPolarHBondContact CG2-O 3.45Å; Q23-E31 HydrophobicContact CB-CB 4.48Å; Q23-E31 HydrophobicContact CB-CG 4.22Å; Q23-E31 WeakPolarHBondContact O-CB 3.36Å; Q23-E31 PolarHBondContact O-N 3.01Å |
| 32 | N | 83.7 | Confident | 83.4 | Confident | 148 Ų | 148 | 58.4 Ų | 58.4 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 136.2 | 177.6 | -74.2 | -26.6 | 0 | 0 | 0 | 111.6 | T34 | N32-T34 PolarHBondContact O-N 2.84Å; N32-T34 VanDerWaalsContact O-N 3.16Å; N32-T34 PolarHBondContact O-OG1 2.97Å |
| 33 | I | 86.7 | Confident | 83.2 | Confident | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.205 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 117.8 | 173.2 | -51.4 | 177.3 | 0 | 0 | 0 | 108.9 | A20 V22 Y35 F72 | A20-I33 HydrophobicContact CB-CG2 4.03Å; V22-I33 HydrophobicContact CB-CB 4.36Å; V22-I33 HydrophobicContact CB-CG1 3.91Å; V22-I33 HydrophobicContact CB-CG2 4.49Å; V22-I33 HydrophobicContact CG1-CG1 4.27Å; V22-I33 HydrophobicContact CG2-CG1 3.91Å; I33-Y35 HydrophobicContact CB-CE2 3.87Å; I33-Y35 HydrophobicContact CG2-CD2 3.94Å; I33-Y35 HydrophobicContact CG2-CE1 4.1Å; I33-Y35 HydrophobicContact CG2-CE2 3.44Å; I33-Y35 VanDerWaalsContact CG2-CE2 3.44Å; I33-Y35 HydrophobicContact CG2-CG 4.48Å; I33-F72 HydrophobicContact CD1-CB 4.22Å |
| 34 | T | 86.5 | Confident | 83.3 | Confident | 73 Ų | 73 | 60 Ų | 60 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.1 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | A20 M21 N32 F36 | A20-T34 VanDerWaalsContact CA-O 3.27Å; A20-T34 WeakPolarHBondContact CA-O 3.12Å; M21-T34 PolarHBondContact N-O 3.3Å; M21-T34 VanDerWaalsContact N-O 3.08Å; M21-T34 PolarHBondContact O-N 3Å; M21-T34 VanDerWaalsContact O-N 3.1Å; N32-T34 PolarHBondContact O-N 2.84Å; N32-T34 VanDerWaalsContact O-N 3.16Å; N32-T34 PolarHBondContact O-OG1 2.97Å; T34-F36 HydrophobicContact CG2-CE1 3.98Å; T34-F36 HydrophobicContact CG2-CE2 3.83Å; T34-F36 HydrophobicContact CG2-CZ 3.39Å; T34-F36 WeakPolarHBondContact O-CE2 3.36Å |
| 35 | Y | 86 | Confident | 83.2 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.8 | -176.8 | -61.8 | -101.3 | 0 | 0 | 0 | 111.3 | L19 A20 I33 A75 R78 | L19-Y35 CarbonylContact O-C 3.54Å; L19-Y35 VanDerWaalsContact O-CA 3.3Å; L19-Y35 WeakPolarHBondContact O-CA 3.49Å; A20-Y35 HydrophobicContact CB-CD1 3.38Å; A20-Y35 HydrophobicContact CB-CE1 3.74Å; A20-Y35 HydrophobicContact CB-CG 3.99Å; I33-Y35 HydrophobicContact CB-CE2 3.87Å; I33-Y35 HydrophobicContact CG2-CD2 3.94Å; I33-Y35 HydrophobicContact CG2-CE1 4.1Å; I33-Y35 HydrophobicContact CG2-CE2 3.44Å; I33-Y35 VanDerWaalsContact CG2-CE2 3.44Å; I33-Y35 HydrophobicContact CG2-CG 4.48Å; Y35-A75 WeakPolarHBondContact OH-CB 3.01Å; Y35-R78 VanDerWaalsContact CE2-CZ 3.42Å; Y35-R78 VanDerWaalsContact CG-NH2 3.3Å |
| 36 | F | 85.7 | Confident | 83 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | -172.5 | -53 | -88.5 | 0 | 0 | 0 | 109.1 | K18 L19 M21 T34 F42 A45 | K18-F36 WeakPolarHBondContact CA-O 3.46Å; L19-F36 PolarHBondContact N-O 2.81Å; L19-F36 PolarHBondContact O-N 3.32Å; M21-F36 HydrophobicContact CG-CE2 3.91Å; T34-F36 HydrophobicContact CG2-CE1 3.98Å; T34-F36 HydrophobicContact CG2-CE2 3.83Å; T34-F36 HydrophobicContact CG2-CZ 3.39Å; T34-F36 WeakPolarHBondContact O-CE2 3.36Å; F36-F42 HydrophobicContact CB-CB 4.01Å; F36-F42 HydrophobicContact CD2-CB 4.19Å; F36-F42 AromaticContact CD2-CD2 3.75Å; F36-F42 HydrophobicContact CD2-CD2 3.75Å; F36-F42 HydrophobicContact CD2-CG 4.47Å; F36-F42 HydrophobicContact CE2-CD2 4.17Å; F36-F42 HydrophobicContact CG-CB 4.09Å; F36-F42 HydrophobicContact CG-CD2 4.49Å; F36-A45 HydrophobicContact CD1-CB 4.4Å; F36-A45 HydrophobicContact CE1-CB 3.42Å; F36-A45 VanDerWaalsContact CE1-CB 3.42Å; F36-A45 HydrophobicContact CE2-CB 4.07Å; F36-A45 HydrophobicContact CZ-CB 3.21Å |
| 37 | D | 83.2 | Confident | 83 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -89.7 | -5.7 | -179.6 | -58.7 | -47 | 0 | 0 | 0 | 112.4 | K18 | K18-D37 WeakPolarHBondContact CE-OD1 3.47Å; K18-D37 IonicContact NZ-OD1 3.59Å; K18-D37 PolarHBondContact NZ-OD1 2.75Å |
| 38 | D | 80.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -146.9 | 158.8 | 180 | 79.9 | 86.7 | 0 | 0 | 0 | 113.7 | L40 S41 F42 | D38-L40 WeakPolarHBondContact OD1-CA 3.27Å; D38-L40 VanDerWaalsContact OD1-CB 3.31Å; D38-L40 WeakPolarHBondContact OD1-CB 3.35Å; D38-L40 PolarHBondContact OD1-N 3.07Å; D38-S41 PolarHBondContact OD1-N 2.97Å; D38-S41 PolarHBondContact OD1-OG 3.23Å; D38-S41 WeakPolarHBondContact OD2-CB 3.4Å; D38-S41 PolarHBondContact OD2-OG 3.01Å; D38-F42 WeakPolarHBondContact O-CB 3.41Å; D38-F42 PolarHBondContact O-N 3.12Å; D38-F42 VanDerWaalsContact O-N 3.16Å |
| 39 | V | 78.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 21% | 0.212 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | -177 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | L19 F42 S43 | L19-V39 HydrophobicContact CD1-CB 4.3Å; L19-V39 HydrophobicContact CD1-CG2 3.91Å; V39-F42 PolarHBondContact O-N 3.18Å; V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 3.31Å; V39-S43 PolarHBondContact O-OG 2.82Å; V39-S43 VanDerWaalsContact O-OG 3.11Å |
| 40 | L | 80.3 | Confident | 82.8 | Confident | 134 Ų | 134 | 66.7 Ų | 66.7 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.3 | -43.3 | -176.5 | -67.4 | 170.5 | 0 | 0 | 0 | 111 | D38 F42 S43 S44 | D38-L40 WeakPolarHBondContact OD1-CA 3.27Å; D38-L40 VanDerWaalsContact OD1-CB 3.31Å; D38-L40 WeakPolarHBondContact OD1-CB 3.35Å; D38-L40 PolarHBondContact OD1-N 3.07Å; L40-F42 VanDerWaalsContact C-N 3.35Å; L40-S43 PolarHBondContact O-N 3.18Å; L40-S44 VanDerWaalsContact O-CB 3.3Å; L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 2.72Å; L40-S44 PolarHBondContact O-OG 3.12Å |
| 41 | S | 84.6 | Confident | 82.2 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.9 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | D38 S44 A45 | D38-S41 PolarHBondContact OD1-N 2.97Å; D38-S41 PolarHBondContact OD1-OG 3.23Å; D38-S41 WeakPolarHBondContact OD2-CB 3.4Å; D38-S41 PolarHBondContact OD2-OG 3.01Å; S41-S44 PolarHBondContact O-N 2.76Å; S41-A45 WeakPolarHBondContact O-CB 3.03Å; S41-A45 PolarHBondContact O-N 3.36Å |
| 42 | F | 83.3 | Confident | 81.7 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 174.6 | 174.6 | -115.6 | 0 | 0 | 0 | 112.6 | I6 L19 A20 M21 F36 D38 V39 L40 S44 A45 L46 | I6-F42 HydrophobicContact CD1-CE1 3.6Å; I6-F42 HydrophobicContact CD1-CZ 3.69Å; I6-F42 HydrophobicContact CG2-CE1 4.08Å; L19-F42 HydrophobicContact CB-CB 4.02Å; L19-F42 HydrophobicContact CB-CD1 4.19Å; L19-F42 HydrophobicContact CB-CD2 3.89Å; L19-F42 HydrophobicContact CB-CE2 4.35Å; L19-F42 HydrophobicContact CB-CG 3.79Å; L19-F42 HydrophobicContact CD1-CB 3.77Å; L19-F42 HydrophobicContact CD1-CD1 3.7Å; L19-F42 HydrophobicContact CD1-CE1 4.41Å; L19-F42 HydrophobicContact CD1-CG 3.86Å; L19-F42 HydrophobicContact CG-CD1 4.47Å; L19-F42 HydrophobicContact CG-CG 4.45Å; A20-F42 WeakPolarHBondContact O-CE2 3.35Å; M21-F42 HydrophobicContact CB-CE2 3.98Å; M21-F42 HydrophobicContact CG-CE2 4.31Å; F36-F42 HydrophobicContact CB-CB 4.01Å; F36-F42 HydrophobicContact CD2-CB 4.19Å; F36-F42 AromaticContact CD2-CD2 3.75Å; F36-F42 HydrophobicContact CD2-CD2 3.75Å; F36-F42 HydrophobicContact CD2-CG 4.47Å; F36-F42 HydrophobicContact CE2-CD2 4.17Å; F36-F42 HydrophobicContact CG-CB 4.09Å; F36-F42 HydrophobicContact CG-CD2 4.49Å; D38-F42 WeakPolarHBondContact O-CB 3.41Å; D38-F42 PolarHBondContact O-N 3.12Å; D38-F42 VanDerWaalsContact O-N 3.16Å; V39-F42 PolarHBondContact O-N 3.18Å; L40-F42 VanDerWaalsContact C-N 3.35Å; F42-S44 VanDerWaalsContact C-N 3.31Å; F42-S44 PolarHBondContact O-N 3.04Å; F42-A45 PolarHBondContact O-N 2.75Å; F42-L46 HydrophobicContact CD1-CD1 3.91Å; F42-L46 HydrophobicContact CD2-CD1 4.36Å; F42-L46 HydrophobicContact CE1-CD1 3.59Å; F42-L46 HydrophobicContact CE2-CD1 4.03Å; F42-L46 HydrophobicContact CE2-CG 4.31Å; F42-L46 HydrophobicContact CG-CD1 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.64Å; F42-L46 HydrophobicContact CZ-CG 4.36Å; F42-L46 WeakPolarHBondContact O-CG 3.47Å; F42-L46 PolarHBondContact O-N 3.19Å |
| 43 | S | 80.8 | Confident | 81.3 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | V39 L40 L46 N47 | V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 3.31Å; V39-S43 PolarHBondContact O-OG 2.82Å; V39-S43 VanDerWaalsContact O-OG 3.11Å; L40-S43 PolarHBondContact O-N 3.18Å; S43-L46 PolarHBondContact O-N 2.98Å; S43-N47 PolarHBondContact O-N 2.73Å; S43-N47 VanDerWaalsContact O-N 3.07Å; S43-N47 PolarHBondContact O-ND2 3.16Å |
| 44 | S | 85.2 | Confident | 81 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | L40 S41 F42 N47 S48 | L40-S44 VanDerWaalsContact O-CB 3.3Å; L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 2.72Å; L40-S44 PolarHBondContact O-OG 3.12Å; S41-S44 PolarHBondContact O-N 2.76Å; F42-S44 VanDerWaalsContact C-N 3.31Å; F42-S44 PolarHBondContact O-N 3.04Å; S44-N47 PolarHBondContact O-N 3.18Å; S44-S48 WeakPolarHBondContact O-CB 3.4Å; S44-S48 PolarHBondContact O-N 3.02Å; S44-S48 PolarHBondContact O-OG 3.37Å |
| 45 | A | 84 | Confident | 80.8 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M21 F36 S41 F42 N47 S48 N49 | M21-A45 HydrophobicContact SD-CB 4.07Å; F36-A45 HydrophobicContact CD1-CB 4.4Å; F36-A45 HydrophobicContact CE1-CB 3.42Å; F36-A45 VanDerWaalsContact CE1-CB 3.42Å; F36-A45 HydrophobicContact CE2-CB 4.07Å; F36-A45 HydrophobicContact CZ-CB 3.21Å; S41-A45 WeakPolarHBondContact O-CB 3.03Å; S41-A45 PolarHBondContact O-N 3.36Å; F42-A45 PolarHBondContact O-N 2.75Å; A45-N47 VanDerWaalsContact C-N 3.28Å; A45-N47 PolarHBondContact O-N 2.91Å; A45-S48 PolarHBondContact O-N 3.14Å; A45-S48 VanDerWaalsContact O-N 3.16Å; A45-N49 PolarHBondContact O-N 3.06Å |
| 46 | L | 81.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 174.6 | -74.1 | 164 | 0 | 0 | 0 | 112.4 | I6 M21 F42 S43 N49 P50 | I6-L46 HydrophobicContact CB-CD1 4.14Å; I6-L46 HydrophobicContact CD1-CD1 3.32Å; I6-L46 HydrophobicContact CD1-CD2 4.4Å; I6-L46 HydrophobicContact CG1-CD1 4.31Å; I6-L46 HydrophobicContact CG2-CD1 4.18Å; M21-L46 HydrophobicContact CB-CD2 4.35Å; M21-L46 HydrophobicContact CE-CD2 3.85Å; M21-L46 HydrophobicContact SD-CB 4.4Å; M21-L46 HydrophobicContact SD-CD2 3.52Å; M21-L46 VanDerWaalsContact SD-CD2 3.52Å; M21-L46 HydrophobicContact SD-CG 3.7Å; F42-L46 HydrophobicContact CD1-CD1 3.91Å; F42-L46 HydrophobicContact CD2-CD1 4.36Å; F42-L46 HydrophobicContact CE1-CD1 3.59Å; F42-L46 HydrophobicContact CE2-CD1 4.03Å; F42-L46 HydrophobicContact CE2-CG 4.31Å; F42-L46 HydrophobicContact CG-CD1 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.64Å; F42-L46 HydrophobicContact CZ-CG 4.36Å; F42-L46 WeakPolarHBondContact O-CG 3.47Å; F42-L46 PolarHBondContact O-N 3.19Å; S43-L46 PolarHBondContact O-N 2.98Å; L46-N49 CarbonylContact O-C 3.59Å; L46-P50 WeakPolarHBondContact O-CA 3.45Å |
| 47 | N | 82.8 | Confident | 80.6 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 176.5 | -74.6 | -28.3 | 0 | 0 | 0 | 112.5 | S43 S44 A45 | S43-N47 PolarHBondContact O-N 2.73Å; S43-N47 VanDerWaalsContact O-N 3.07Å; S43-N47 PolarHBondContact O-ND2 3.16Å; S44-N47 PolarHBondContact O-N 3.18Å; A45-N47 VanDerWaalsContact C-N 3.28Å; A45-N47 PolarHBondContact O-N 2.91Å |
| 48 | S | 84.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 68.8 Ų | 68.8 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -78 | -37.9 | -177.1 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | S44 A45 P50 | S44-S48 WeakPolarHBondContact O-CB 3.4Å; S44-S48 PolarHBondContact O-N 3.02Å; S44-S48 PolarHBondContact O-OG 3.37Å; A45-S48 PolarHBondContact O-N 3.14Å; A45-S48 VanDerWaalsContact O-N 3.16Å; S48-P50 VanDerWaalsContact O-CD 3.29Å; S48-P50 WeakPolarHBondContact O-CD 3.25Å |
| 49 | N | 79.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -120 | 66.9 | 177.8 | -76.6 | -22.3 | 0 | 0 | 0 | 110.8 | Q23 A45 L46 | Q23-N49 PolarHBondContact NE2-O 3.19Å; A45-N49 PolarHBondContact O-N 3.06Å; L46-N49 CarbonylContact O-C 3.59Å |
| 50 | P | 74.5 | Confident | 80.7 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | trans | -70 | 151.5 | 179.5 | 30.7 | -35 | 0 | 0 | 0 | 110.9 | K2 Q23 L46 S48 N52 | K2-P50 HydrophobicContact CD-CB 4.37Å; K2-P50 VanDerWaalsContact CE-CG 3.49Å; K2-P50 HydrophobicContact CG-CB 4.32Å; Q23-P50 PolarHBondContact NE2-O 3.08Å; L46-P50 WeakPolarHBondContact O-CA 3.45Å; S48-P50 VanDerWaalsContact O-CD 3.29Å; S48-P50 WeakPolarHBondContact O-CD 3.25Å; P50-N52 PolarHBondContact O-N 3.11Å | ||
| 51 | P | 70.9 | Confident | 81 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | trans | -53.7 | 126.7 | 171.6 | -25 | 33.2 | 0 | 0 | 0 | 111.1 | ||||
| 52 | N | 73.1 | Confident | 81.3 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | trans | -117.6 | 110.2 | -178.9 | -177.4 | -3.1 | 0 | 0 | 0 | 110.5 | P50 K54 N55 | P50-N52 PolarHBondContact O-N 3.11Å; N52-K54 PolarHBondContact O-N 2.83Å; N52-K54 VanDerWaalsContact O-N 3.09Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 3.35Å; N52-N55 WeakPolarHBondContact O-CB 3.36Å; N52-N55 PolarHBondContact O-N 3.41Å | ||
| 53 | S | 75.4 | Confident | 81.6 | Confident | 108 Ų | 108 | 72.1 Ų | 72.1 | 76% | 0.755 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -61.8 | -20 | -178.9 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | N55 A56 | S53-N55 VanDerWaalsContact C-N 3.25Å; S53-N55 PolarHBondContact O-N 3.22Å; S53-A56 VanDerWaalsContact O-CB 3.26Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.42Å |
| 54 | K | 80.6 | Confident | 82.1 | Confident | 182 Ų | 182 | 72.3 Ų | 72.3 | 79% | 0.791 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -70.7 | -24 | 174.5 | -64.1 | -174.5 | 177.5 | -178.1 | 0 | 112.9 | N52 A56 | N52-K54 PolarHBondContact O-N 2.83Å; N52-K54 VanDerWaalsContact O-N 3.09Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 3.35Å; K54-A56 VanDerWaalsContact C-N 3.29Å |
| 55 | N | 83.2 | Confident | 82.4 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -86.4 | -3.7 | 175.7 | -65.2 | -2.6 | 0 | 0 | 0 | 111.3 | T26 A27 N52 S53 A57 | T26-N55 CarbonylContact C-O 3.5Å; T26-N55 WeakPolarHBondContact CA-O 3.27Å; T26-N55 WeakPolarHBondContact CB-O 3.5Å; A27-N55 PolarHBondContact N-O 2.98Å; N52-N55 WeakPolarHBondContact O-CB 3.36Å; N52-N55 PolarHBondContact O-N 3.41Å; S53-N55 VanDerWaalsContact C-N 3.25Å; S53-N55 PolarHBondContact O-N 3.22Å; N55-A57 PolarHBondContact O-N 2.82Å |
| 56 | A | 81.5 | Confident | 82.8 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 49% | 0.488 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -63.4 | 135.6 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | S53 K54 | S53-A56 VanDerWaalsContact O-CB 3.26Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.42Å; K54-A56 VanDerWaalsContact C-N 3.29Å |
| 57 | A | 85.5 | Confident | 83.4 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 162.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D25 N55 Q61 R91 | D25-A57 WeakPolarHBondContact O-CB 3.33Å; D25-A57 PolarHBondContact O-N 2.04Å; N55-A57 PolarHBondContact O-N 2.82Å; A57-Q61 VanDerWaalsContact CB-OE1 3.29Å; A57-R91 VanDerWaalsContact CB-CZ 3.49Å |
| 58 | S | 84.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 152.1 | -174 | 71.2 | 0 | 0 | 0 | 0 | 111.5 | T60 Q61 R91 | S58-T60 PolarHBondContact O-N 3.42Å; S58-T60 VanDerWaalsContact O-N 3.14Å; S58-T60 PolarHBondContact OG-OG1 3.47Å; S58-Q61 PolarHBondContact O-N 2.98Å; S58-Q61 VanDerWaalsContact O-N 3.08Å; S58-Q61 WeakPolarHBondContact OG-CG 3.48Å; S58-R91 PolarHBondContact O-NH1 3.37Å |
| 59 | S | 79.5 | Confident | 84.2 | Confident | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.5 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | I129 | S59-I129 WeakPolarHBondContact O-CD1 3.33Š|
| 60 | T | 79.9 | Confident | 84.9 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 64% | 0.644 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.7 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | S58 | S58-T60 PolarHBondContact O-N 3.42Å; S58-T60 VanDerWaalsContact O-N 3.14Å; S58-T60 PolarHBondContact OG-OG1 3.47Å |
| 61 | Q | 86.8 | Confident | 85.6 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -86.8 | 139.6 | 176 | -77.1 | 173.4 | -29.5 | 0 | 0 | 110.3 | A57 S58 R91 | A57-Q61 VanDerWaalsContact CB-OE1 3.29Å; S58-Q61 PolarHBondContact O-N 2.98Å; S58-Q61 VanDerWaalsContact O-N 3.08Å; S58-Q61 WeakPolarHBondContact OG-CG 3.48Å; Q61-R91 VanDerWaalsContact CB-NH1 3.26Å; Q61-R91 PolarHBondContact O-NH1 3.5Å; Q61-R91 VanDerWaalsContact O-NH1 3.12Å |
| 62 | T | 90.1 | Very high | 86.6 | Confident | 56 Ų | 56 | 55 Ų | 55 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 154.2 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | W92 A94 A132 | T62-W92 CarbonylContact C-O 3.57Å; T62-W92 WeakPolarHBondContact CA-O 3.49Å; T62-A94 HydrophobicContact CG2-CB 3.91Å; T62-A132 HydrophobicContact CG2-CB 4.28Å |
| 63 | S | 90.9 | Very high | 87.5 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 146 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | D25 V65 R91 W92 | D25-S63 VanDerWaalsContact CG-OG 3.26Å; D25-S63 WeakPolarHBondContact OD1-CA 3.27Å; D25-S63 WeakPolarHBondContact OD1-CB 3.38Å; D25-S63 PolarHBondContact OD1-OG 3.23Å; D25-S63 PolarHBondContact OD2-OG 2.96Å; S63-V65 VanDerWaalsContact C-N 3.34Å; S63-V65 WeakPolarHBondContact OG-CB 3.4Å; S63-V65 PolarHBondContact OG-N 3.18Å; S63-V65 VanDerWaalsContact OG-N 3.12Å; S63-R91 WeakPolarHBondContact CB-O 3.41Å; S63-W92 PolarHBondContact N-O 2.92Å |
| 64 | D | 90.5 | Very high | 88.2 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | trans | -92.3 | 11.3 | 171.2 | 58.5 | -7.1 | 0 | 0 | 0 | 113 | F24 D25 L30 L66 S67 V68 | F24-D64 WeakPolarHBondContact CB-OD1 3Å; D25-D64 PolarHBondContact N-OD1 3.39Å; D25-D64 PolarHBondContact OD1-N 3.34Å; L30-D64 WeakPolarHBondContact CA-OD2 3.48Å; L30-D64 WeakPolarHBondContact CB-OD2 3.41Å; L30-D64 PolarHBondContact N-OD2 3Å; D64-L66 PolarHBondContact O-N 3.21Å; D64-L66 VanDerWaalsContact O-N 3.11Å; D64-S67 WeakPolarHBondContact O-CA 3.01Å; D64-S67 WeakPolarHBondContact O-CB 3.29Å; D64-S67 PolarHBondContact O-N 3.09Å; D64-V68 PolarHBondContact O-N 2.04Å | ||
| 65 | V | 91.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.4 | -33.4 | -179 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | F24 S63 S67 V68 V69 L87 V89 P93 F137 | F24-V65 HydrophobicContact CD2-CB 4.12Å; F24-V65 HydrophobicContact CE2-CB 3.76Å; F24-V65 HydrophobicContact CE2-CG2 3.87Å; F24-V65 HydrophobicContact CZ-CB 4.45Å; F24-V65 HydrophobicContact CZ-CG2 4.06Å; S63-V65 VanDerWaalsContact C-N 3.34Å; S63-V65 WeakPolarHBondContact OG-CB 3.4Å; S63-V65 PolarHBondContact OG-N 3.18Å; S63-V65 VanDerWaalsContact OG-N 3.12Å; V65-S67 VanDerWaalsContact C-N 3.35Å; V65-V68 WeakPolarHBondContact O-CB 3.45Å; V65-V68 PolarHBondContact O-N 2.8Å; V65-V69 PolarHBondContact O-N 3.34Å; V65-V69 VanDerWaalsContact O-N 3.11Å; V65-L87 HydrophobicContact CG2-CB 4.44Å; V65-L87 HydrophobicContact CG2-CD1 3.78Å; V65-L87 HydrophobicContact CG2-CD2 4.14Å; V65-L87 HydrophobicContact CG2-CG 4.35Å; V65-V89 HydrophobicContact CG2-CG1 4.05Å; V65-P93 HydrophobicContact CG1-CB 4.23Å; V65-P93 HydrophobicContact CG1-CG 4.12Å; V65-F137 HydrophobicContact CG1-CE1 3.85Å; V65-F137 HydrophobicContact CG1-CZ 4.04Å; V65-F137 HydrophobicContact CG2-CE1 4.35Å |
| 66 | L | 93.3 | Very high | 88.2 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 177.6 | -61.9 | -178.2 | 0 | 0 | 0 | 111.5 | D64 V68 V69 S70 P93 A97 L99 I136 | D64-L66 PolarHBondContact O-N 3.21Å; D64-L66 VanDerWaalsContact O-N 3.11Å; L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 PolarHBondContact O-N 2.81Å; L66-V69 PolarHBondContact O-N 2.78Å; L66-S70 PolarHBondContact O-N 2.89Å; L66-S70 PolarHBondContact O-OG 3.1Å; L66-S70 VanDerWaalsContact O-OG 3.08Å; L66-P93 HydrophobicContact CD1-CB 4.01Å; L66-P93 HydrophobicContact CD1-CG 4.35Å; L66-P93 HydrophobicContact CG-CB 4.07Å; L66-P93 HydrophobicContact CG-CG 4.32Å; L66-A97 HydrophobicContact CD1-CB 3.76Å; L66-L99 HydrophobicContact CB-CD2 4.24Å; L66-L99 HydrophobicContact CD2-CD2 4.25Å; L66-L99 HydrophobicContact CD2-CG 4.34Å; L66-I136 HydrophobicContact CD1-CG1 4.27Å; L66-I136 HydrophobicContact CD2-CG1 3.69Å |
| 67 | S | 91.7 | Very high | 88 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | D64 V65 G71 | D64-S67 WeakPolarHBondContact O-CA 3.01Å; D64-S67 WeakPolarHBondContact O-CB 3.29Å; D64-S67 PolarHBondContact O-N 3.09Å; V65-S67 VanDerWaalsContact C-N 3.35Å; S67-G71 PolarHBondContact O-N 3.31Å |
| 68 | V | 91.6 | Very high | 87.5 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | V22 F24 L30 D64 V65 L66 G71 F72 | V22-V68 HydrophobicContact CG1-CG1 3.55Å; F24-V68 HydrophobicContact CB-CG2 3.48Å; F24-V68 VanDerWaalsContact CB-CG2 3.48Å; F24-V68 HydrophobicContact CD1-CG2 3.96Å; F24-V68 HydrophobicContact CD2-CG2 4.38Å; F24-V68 HydrophobicContact CG-CG2 3.7Å; L30-V68 HydrophobicContact CD1-CG2 3.46Å; L30-V68 VanDerWaalsContact CD1-CG2 3.46Å; L30-V68 HydrophobicContact CD2-CG2 4.34Å; D64-V68 PolarHBondContact O-N 2.04Å; V65-V68 WeakPolarHBondContact O-CB 3.45Å; V65-V68 PolarHBondContact O-N 2.8Å; L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 PolarHBondContact O-N 2.81Å; V68-G71 PolarHBondContact O-N 2.81Å; V68-F72 WeakPolarHBondContact O-CB 3.33Å; V68-F72 PolarHBondContact O-N 2.04Å |
| 69 | V | 94 | Very high | 87.2 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | V65 L66 G71 F72 L73 L87 L99 I107 I114 L140 | V65-V69 PolarHBondContact O-N 3.34Å; V65-V69 VanDerWaalsContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 2.78Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.28Å; V69-F72 WeakPolarHBondContact O-CB 3.35Å; V69-F72 PolarHBondContact O-N 3.45Å; V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 HydrophobicContact CG1-CG 4.34Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.04Å; V69-L73 PolarHBondContact O-N 3.23Å; V69-L87 HydrophobicContact CG2-CD1 3.92Å; V69-L87 HydrophobicContact CG2-CD2 4.43Å; V69-L99 HydrophobicContact CG1-CD1 3.87Å; V69-L99 HydrophobicContact CG1-CD2 4.44Å; V69-I107 HydrophobicContact CG1-CD1 4.37Å; V69-I114 HydrophobicContact CG1-CD1 3.87Å; V69-L140 HydrophobicContact CG1-CD1 4.46Å |
| 70 | S | 94.1 | Very high | 87.5 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -45.8 | 175 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | L66 F72 L73 A74 E103 | L66-S70 PolarHBondContact O-N 2.89Å; L66-S70 PolarHBondContact O-OG 3.1Å; L66-S70 VanDerWaalsContact O-OG 3.08Å; S70-F72 VanDerWaalsContact C-N 3.34Å; S70-F72 PolarHBondContact O-N 2.9Å; S70-L73 PolarHBondContact O-N 2.75Å; S70-A74 WeakPolarHBondContact O-CB 3.26Å; S70-A74 PolarHBondContact O-N 2.79Å; S70-E103 WeakPolarHBondContact CA-OE1 3.22Å; S70-E103 WeakPolarHBondContact CB-OE1 3.11Å; S70-E103 PolarHBondContact OG-OE1 3.38Å |
| 71 | G | 90.3 | Very high | 87.7 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S67 V68 V69 A75 | S67-G71 PolarHBondContact O-N 3.31Å; V68-G71 PolarHBondContact O-N 2.81Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.28Å; G71-A75 PolarHBondContact O-N 3.4Å |
| 72 | F | 91.6 | Very high | 87.5 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 173.6 | 168.4 | -97.4 | 0 | 0 | 0 | 111.9 | I33 V68 V69 S70 A74 A75 L80 V85 V112 | I33-F72 HydrophobicContact CD1-CB 4.22Å; V68-F72 WeakPolarHBondContact O-CB 3.33Å; V68-F72 PolarHBondContact O-N 2.04Å; V69-F72 WeakPolarHBondContact O-CB 3.35Å; V69-F72 PolarHBondContact O-N 3.45Å; S70-F72 VanDerWaalsContact C-N 3.34Å; S70-F72 PolarHBondContact O-N 2.9Å; F72-A74 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.44Å; F72-A75 WeakPolarHBondContact O-CB 3.5Å; F72-A75 PolarHBondContact O-N 2.64Å; F72-L80 HydrophobicContact CD1-CD2 4.44Å; F72-L80 HydrophobicContact CE1-CD2 3.74Å; F72-L80 HydrophobicContact CE2-CD2 4.48Å; F72-L80 HydrophobicContact CZ-CD2 3.76Å; F72-V85 HydrophobicContact CD1-CG2 3.91Å; F72-V85 HydrophobicContact CD2-CG2 4.43Å; F72-V85 HydrophobicContact CE1-CG2 3.66Å; F72-V85 HydrophobicContact CE2-CG2 4.21Å; F72-V85 HydrophobicContact CG-CG2 4.3Å; F72-V85 HydrophobicContact CZ-CG2 3.83Å; F72-V112 HydrophobicContact CE1-CG1 3.89Å |
| 73 | L | 91.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 38 Ų | 38 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -32.2 | -178.1 | -64.3 | 172.9 | 0 | 0 | 0 | 112.8 | V69 S70 A75 E103 T106 I107 | V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 HydrophobicContact CG1-CG 4.34Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.04Å; V69-L73 PolarHBondContact O-N 3.23Å; S70-L73 PolarHBondContact O-N 2.75Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-E103 HydrophobicContact CD1-CB 3.89Å; L73-E103 HydrophobicContact CD1-CG 4.15Å; L73-T106 HydrophobicContact CD2-CG2 4.1Å; L73-I107 HydrophobicContact CD1-CD1 3.92Å; L73-I107 HydrophobicContact CD1-CG1 3.75Å; L73-I107 HydrophobicContact CD2-CG1 3.85Å; L73-I107 HydrophobicContact CG-CG1 4.43Å |
| 74 | A | 89.4 | Confident | 87.1 | Confident | 85 Ų | 85 | 39.2 Ų | 39.2 | 70% | 0.702 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | S70 F72 S76 | S70-A74 WeakPolarHBondContact O-CB 3.26Å; S70-A74 PolarHBondContact O-N 2.79Å; F72-A74 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.44Å; A74-S76 PolarHBondContact O-N 3.28Å |
| 75 | A | 84.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 22% | 0.223 | 27% | 0.265 | C | S | . | . | trans | -70.6 | 121.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y35 G71 F72 L73 | Y35-A75 WeakPolarHBondContact OH-CB 3.01Å; G71-A75 PolarHBondContact O-N 3.4Å; F72-A75 WeakPolarHBondContact O-CB 3.5Å; F72-A75 PolarHBondContact O-N 2.64Å; L73-A75 VanDerWaalsContact C-N 3.32Å | ||
| 76 | S | 80 | Confident | 87.1 | Confident | 110 Ų | 110 | 40.5 Ų | 40.5 | 77% | 0.769 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -81.7 | 161.1 | 179.1 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | A74 | A74-S76 PolarHBondContact O-N 3.28Š|
| 77 | G | 75.7 | Confident | 86.9 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 78% | 0.784 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 76.4 | 22.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 78 | R | 76 | Confident | 86.8 | Confident | 75 Ų | 75 | 39.3 Ų | 39.3 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -141.1 | 133.8 | -177.4 | -54.7 | 167.5 | -166 | -83.8 | 0.2 | 109.1 | K18 Y35 L80 | K18-R78 HydrophobicContact CD-CG 4.48Å; Y35-R78 VanDerWaalsContact CE2-CZ 3.42Å; Y35-R78 VanDerWaalsContact CG-NH2 3.3Å; R78-L80 PolarHBondContact O-N 3.04Å |
| 79 | P | 77.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | trans | -68.6 | 124.4 | 172.4 | 27.7 | -31.3 | 0 | 0 | 0 | 109.3 | S83 | P79-S83 PolarHBondContact O-OG 2.91Š| ||
| 80 | L | 85.5 | Confident | 86 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -83.1 | -24.9 | 173.4 | -70.8 | 178 | 0 | 0 | 0 | 112.1 | F72 R78 S82 S83 T106 N110 V112 | F72-L80 HydrophobicContact CD1-CD2 4.44Å; F72-L80 HydrophobicContact CE1-CD2 3.74Å; F72-L80 HydrophobicContact CE2-CD2 4.48Å; F72-L80 HydrophobicContact CZ-CD2 3.76Å; R78-L80 PolarHBondContact O-N 3.04Å; L80-S82 PolarHBondContact O-N 3.02Å; L80-S83 WeakPolarHBondContact O-CB 3.45Å; L80-S83 PolarHBondContact O-N 3.43Å; L80-S83 PolarHBondContact O-OG 2.87Å; L80-T106 HydrophobicContact CD1-CG2 3.64Å; L80-N110 HydrophobicContact CB-CB 4.21Å; L80-V112 HydrophobicContact CB-CG2 4.19Å; L80-V112 WeakPolarHBondContact O-CG2 3.07Å | ||
| 81 | E | 84.1 | Confident | 85.7 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 126.6 | -176.7 | -166.3 | -155 | -173.8 | 0 | 0 | 111.9 | S83 N110 H293 Y294 G295 R408 | E81-S83 PolarHBondContact O-N 3.13Å; E81-N110 CarbonylContact C-O 3.55Å; E81-N110 VanDerWaalsContact CA-O 3.27Å; E81-N110 WeakPolarHBondContact CA-O 3.33Å; E81-H293 IonicContact OE1-CD2 2.75Å; E81-Y294 WeakPolarHBondContact OE1-CA 3.48Å; E81-Y294 WeakPolarHBondContact OE2-CD2 3.32Å; E81-G295 PolarHBondContact OE1-N 3.49Å; E81-R408 IonicContact OE1-CZ 3.47Å; E81-R408 IonicContact OE1-NH1 2.69Å; E81-R408 PolarHBondContact OE1-NH1 3.23Å |
| 82 | S | 82.2 | Confident | 85.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 7.2 | 179.3 | -60.6 | 0 | 0 | 0 | 0 | 115.6 | Y16 L80 N110 N111 | Y16-S82 VanDerWaalsContact CE1-O 3.26Å; Y16-S82 WeakPolarHBondContact CE1-O 3.45Å; Y16-S82 PolarHBondContact OH-O 3.39Å; L80-S82 PolarHBondContact O-N 3.02Å; S82-N110 PolarHBondContact N-O 2.74Å; S82-N111 WeakPolarHBondContact CA-O 3.23Å |
| 83 | S | 86.2 | Confident | 85.7 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | trans | -56.3 | 142.9 | 179.1 | -73 | 0 | 0 | 0 | 0 | 111.9 | P79 L80 E81 V112 K113 | P79-S83 PolarHBondContact O-OG 2.91Å; L80-S83 WeakPolarHBondContact O-CB 3.45Å; L80-S83 PolarHBondContact O-N 3.43Å; L80-S83 PolarHBondContact O-OG 2.87Å; E81-S83 PolarHBondContact O-N 3.13Å; S83-V112 CarbonylContact O-C 3.5Å; S83-V112 WeakPolarHBondContact O-CA 3.33Å; S83-K113 PolarHBondContact O-N 2.96Å | ||
| 84 | M | 88.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 40 Ų | 40 | 17% | 0.167 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.8 | 177.1 | -175.6 | 175 | 174.8 | 0 | 0 | 110.7 | V86 K113 F115 L164 M165 Y169 | M84-V86 HydrophobicContact CE-CG2 3.71Å; M84-V86 HydrophobicContact CG-CG2 4.44Å; M84-K113 CarbonylContact C-O 3.36Å; M84-K113 WeakPolarHBondContact CA-O 3.46Å; M84-F115 HydrophobicContact CE-CD2 3.59Å; M84-F115 HydrophobicContact CE-CE2 3.57Å; M84-F115 HydrophobicContact CE-CG 4.37Å; M84-F115 HydrophobicContact CE-CZ 4.35Å; M84-F115 HydrophobicContact CG-CD2 3.97Å; M84-F115 HydrophobicContact CG-CE2 3.86Å; M84-F115 HydrophobicContact SD-CD2 4.44Å; M84-F115 HydrophobicContact SD-CE2 4.09Å; M84-L164 HydrophobicContact CE-CB 3.94Å; M84-M165 HydrophobicContact CE-SD 3.89Å; M84-M165 HydrophobicContact SD-SD 4.11Å; M84-Y169 HydrophobicContact CB-CD2 4.19Å; M84-Y169 HydrophobicContact SD-CD2 3.9Å; M84-Y169 HydrophobicContact SD-CG 4.32Å |
| 85 | V | 89.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.2 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | F72 L87 V112 K113 I114 F115 | F72-V85 HydrophobicContact CD1-CG2 3.91Å; F72-V85 HydrophobicContact CD2-CG2 4.43Å; F72-V85 HydrophobicContact CE1-CG2 3.66Å; F72-V85 HydrophobicContact CE2-CG2 4.21Å; F72-V85 HydrophobicContact CG-CG2 4.3Å; F72-V85 HydrophobicContact CZ-CG2 3.83Å; V85-L87 HydrophobicContact CG1-CD2 3.71Å; V85-L87 HydrophobicContact CG1-CG 4.1Å; V85-V112 HydrophobicContact CG2-CG1 4.36Å; V85-K113 PolarHBondContact N-O 2.98Å; V85-I114 HydrophobicContact CB-CB 4.47Å; V85-I114 HydrophobicContact CB-CG1 4.19Å; V85-I114 HydrophobicContact CB-CG2 4.12Å; V85-I114 HydrophobicContact CG1-CG2 4.21Å; V85-I114 HydrophobicContact CG2-CG1 4.49Å; V85-I114 CarbonylContact O-C 3.59Å; V85-I114 WeakPolarHBondContact O-CA 3.03Å; V85-F115 PolarHBondContact O-N 3.34Å |
| 86 | V | 90.8 | Very high | 86.1 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.5 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | M84 L88 F115 I117 F161 | M84-V86 HydrophobicContact CE-CG2 3.71Å; M84-V86 HydrophobicContact CG-CG2 4.44Å; V86-L88 HydrophobicContact CG1-CD2 3.89Å; V86-L88 HydrophobicContact CG1-CG 4.45Å; V86-F115 HydrophobicContact CG2-CB 4.45Å; V86-I117 HydrophobicContact CG1-CD1 3.67Å; V86-I117 HydrophobicContact CG1-CG1 4.21Å; V86-F161 HydrophobicContact CB-CE2 4.12Å; V86-F161 HydrophobicContact CG1-CD2 3.97Å; V86-F161 HydrophobicContact CG1-CE2 3.86Å; V86-F161 HydrophobicContact CG2-CE2 3.99Å |
| 87 | L | 90.8 | Very high | 86.7 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.3 | 179.7 | -56.3 | 173 | 0 | 0 | 0 | 108.5 | V65 V69 V85 V89 I114 F115 I117 L140 | V65-L87 HydrophobicContact CG2-CB 4.44Å; V65-L87 HydrophobicContact CG2-CD1 3.78Å; V65-L87 HydrophobicContact CG2-CD2 4.14Å; V65-L87 HydrophobicContact CG2-CG 4.35Å; V69-L87 HydrophobicContact CG2-CD1 3.92Å; V69-L87 HydrophobicContact CG2-CD2 4.43Å; V85-L87 HydrophobicContact CG1-CD2 3.71Å; V85-L87 HydrophobicContact CG1-CG 4.1Å; L87-V89 HydrophobicContact CB-CG1 3.93Å; L87-V89 PolarHBondContact O-N 3Å; L87-I114 HydrophobicContact CD1-CG2 3.51Å; L87-I114 HydrophobicContact CG-CG2 3.9Å; L87-F115 PolarHBondContact N-O 3.22Å; L87-I117 PolarHBondContact O-N 2.87Å; L87-L140 HydrophobicContact CD1-CD2 3.98Å |
| 88 | L | 87.7 | Confident | 87.5 | Confident | 60 Ų | 60 | 42 Ų | 42 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 97.6 | 174.6 | -55.3 | 177.5 | 0 | 0 | 0 | 108 | M1 V5 V86 I117 | M1-L88 HydrophobicContact CE-CB 4.44Å; M1-L88 HydrophobicContact SD-CB 4.22Å; M1-L88 HydrophobicContact SD-CD1 3.69Å; M1-L88 HydrophobicContact SD-CD2 4.45Å; M1-L88 HydrophobicContact SD-CG 4.33Å; V5-L88 HydrophobicContact CG2-CD1 4.18Å; V86-L88 HydrophobicContact CG1-CD2 3.89Å; V86-L88 HydrophobicContact CG1-CG 4.45Å; L88-I117 HydrophobicContact CD2-CB 4.02Å; L88-I117 HydrophobicContact CD2-CD1 4.29Å; L88-I117 HydrophobicContact CD2-CG2 4.44Å |
| 89 | V | 86 | Confident | 88.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.2 | -167.7 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | F24 V65 L87 I117 S118 F137 | F24-V89 HydrophobicContact CE2-CG1 4.27Å; F24-V89 HydrophobicContact CZ-CG1 4.02Å; V65-V89 HydrophobicContact CG2-CG1 4.05Å; L87-V89 HydrophobicContact CB-CG1 3.93Å; L87-V89 PolarHBondContact O-N 3Å; V89-I117 PolarHBondContact N-O 2.88Å; V89-S118 WeakPolarHBondContact O-CA 3.23Å; V89-S118 PolarHBondContact O-OG 2.79Å; V89-F137 HydrophobicContact CB-CE2 4.49Å; V89-F137 HydrophobicContact CB-CZ 4.08Å; V89-F137 HydrophobicContact CG1-CE1 4.08Å; V89-F137 HydrophobicContact CG1-CZ 3.87Å; V89-F137 HydrophobicContact CG2-CE2 3.94Å; V89-F137 HydrophobicContact CG2-CZ 3.94Å |
| 90 | N | 84.1 | Confident | 89.3 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -114.7 | -26.8 | 171.8 | -79.2 | -38.4 | 0 | 0 | 0 | 112.8 | S122 Q126 | N90-S122 PolarHBondContact OD1-OG 3.08Å; N90-Q126 WeakPolarHBondContact O-CG 3.19Å |
| 91 | R | 87 | Confident | 89.6 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -120.2 | 158.5 | 178.8 | -59.7 | -175.8 | -54.4 | 154.9 | 12 | 109.9 | D25 A57 S58 Q61 S63 | D25-R91 VanDerWaalsContact CG-NH2 3.33Å; D25-R91 IonicContact OD1-CZ 2.73Å; D25-R91 IonicContact OD1-NE 2.82Å; D25-R91 IonicContact OD1-NH2 3.81Å; D25-R91 PolarHBondContact OD1-NH2 3.1Å; D25-R91 IonicContact OD2-NE 2.67Å; A57-R91 VanDerWaalsContact CB-CZ 3.49Å; S58-R91 PolarHBondContact O-NH1 3.37Å; Q61-R91 VanDerWaalsContact CB-NH1 3.26Å; Q61-R91 PolarHBondContact O-NH1 3.5Å; Q61-R91 VanDerWaalsContact O-NH1 3.12Å; S63-R91 WeakPolarHBondContact CB-O 3.41Å |
| 92 | W | 89.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | trans | -104.2 | 146.3 | -178.2 | -59.8 | -9.9 | 0 | 0 | 0 | 111 | T62 S63 Y123 Q126 I127 A132 A134 F137 | T62-W92 CarbonylContact C-O 3.57Å; T62-W92 WeakPolarHBondContact CA-O 3.49Å; S63-W92 PolarHBondContact N-O 2.92Å; W92-Y123 HydrophobicContact CH2-CD2 4.08Å; W92-Y123 AromaticContact CH2-CE2 3.97Å; W92-Y123 HydrophobicContact CH2-CE2 3.97Å; W92-Y123 AromaticContact CZ2-CD2 3.36Å; W92-Y123 HydrophobicContact CZ2-CD2 3.36Å; W92-Y123 AromaticContact CZ2-CE2 3.65Å; W92-Y123 HydrophobicContact CZ2-CE2 3.65Å; W92-Y123 AromaticContact CZ2-CG 3.89Å; W92-Y123 HydrophobicContact CZ2-CG 3.89Å; W92-Y123 WeakPolarHBondContact CZ2-O 3.43Å; W92-Q126 HydrophobicContact CD2-CB 3.5Å; W92-Q126 HydrophobicContact CD2-CG 4.35Å; W92-Q126 VanDerWaalsContact CE2-CB 3.44Å; W92-Q126 HydrophobicContact CE3-CB 3.82Å; W92-Q126 HydrophobicContact CG-CB 4Å; W92-Q126 HydrophobicContact CG-CG 4.36Å; W92-Q126 HydrophobicContact CH2-CB 4.14Å; W92-Q126 HydrophobicContact CZ2-CB 3.77Å; W92-Q126 HydrophobicContact CZ3-CB 4.15Å; W92-I127 HydrophobicContact CH2-CB 4.27Å; W92-I127 HydrophobicContact CH2-CG1 3.55Å; W92-I127 HydrophobicContact CZ2-CG1 4.43Å; W92-I127 HydrophobicContact CZ3-CG1 4.29Å; W92-A132 HydrophobicContact CB-CB 3.96Å; W92-A134 HydrophobicContact CD2-CB 3.78Å; W92-A134 HydrophobicContact CE3-CB 4.03Å; W92-A134 VanDerWaalsContact CE3-N 3.33Å; W92-A134 HydrophobicContact CG-CB 4.35Å; W92-A134 HydrophobicContact CH2-CB 3.95Å; W92-A134 HydrophobicContact CZ2-CB 3.77Å; W92-A134 HydrophobicContact CZ3-CB 4.09Å; W92-F137 AromaticContact CD1-CE2 3.75Å; W92-F137 HydrophobicContact CG-CE2 4.33Å | ||
| 93 | P | 92.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | trans | -65.8 | 168.9 | 174.3 | 28.1 | -33.3 | 0 | 0 | 0 | 110.9 | V65 L66 A132 S133 I136 | V65-P93 HydrophobicContact CG1-CB 4.23Å; V65-P93 HydrophobicContact CG1-CG 4.12Å; L66-P93 HydrophobicContact CD1-CB 4.01Å; L66-P93 HydrophobicContact CD1-CG 4.35Å; L66-P93 HydrophobicContact CG-CB 4.07Å; L66-P93 HydrophobicContact CG-CG 4.32Å; P93-A132 VanDerWaalsContact O-CA 3.25Å; P93-A132 WeakPolarHBondContact O-CA 3.37Å; P93-S133 PolarHBondContact O-N 2.82Å; P93-I136 HydrophobicContact CG-CG2 3.33Å | ||
| 94 | A | 92.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -57.1 | 141.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | T62 N96 A97 T131 | T62-A94 HydrophobicContact CG2-CB 3.91Å; A94-N96 PolarHBondContact O-N 3.44Å; A94-A97 HydrophobicContact CB-CB 4Å; A94-A97 WeakPolarHBondContact O-CB 3.35Å; A94-A97 PolarHBondContact O-N 3.14Å; A94-T131 CarbonylContact C-O 3.49Å; A94-T131 WeakPolarHBondContact CA-O 3.33Å |
| 95 | A | 90.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 45% | 0.446 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T131 | A95-T131 PolarHBondContact N-O 2.76Š|
| 96 | N | 90.6 | Very high | 91.6 | Very high | 151 Ų | 151 | 42.6 Ų | 42.6 | 81% | 0.807 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 4.7 | 178 | 65.3 | -33.3 | 0 | 0 | 0 | 113.6 | A94 | A94-N96 PolarHBondContact O-N 3.44Š|
| 97 | A | 92.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | trans | -83 | 138.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | L66 A94 | L66-A97 HydrophobicContact CD1-CB 3.76Å; A94-A97 HydrophobicContact CB-CB 4Å; A94-A97 WeakPolarHBondContact O-CB 3.35Å; A94-A97 PolarHBondContact O-N 3.14Å | ||
| 98 | D | 93.5 | Very high | 92 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | trans | -148.2 | 164.2 | 178.3 | -153.4 | -24.1 | 0 | 0 | 0 | 108.6 | Y104 I136 | D98-Y104 VanDerWaalsContact OD1-CE2 3.24Å; D98-Y104 WeakPolarHBondContact OD1-CE2 3.12Å; D98-Y104 VanDerWaalsContact OD1-CZ 3.32Å; D98-Y104 PolarHBondContact OD1-OH 2.68Å; D98-I136 HydrophobicContact CB-CD1 4.48Å; D98-I136 WeakPolarHBondContact OD1-CD1 2.96Å | ||
| 99 | L | 95.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | trans | -76.8 | 156.1 | 166.9 | -61.5 | 178.9 | 0 | 0 | 0 | 109.9 | L66 V69 E103 Y104 I107 L140 | L66-L99 HydrophobicContact CB-CD2 4.24Å; L66-L99 HydrophobicContact CD2-CD2 4.25Å; L66-L99 HydrophobicContact CD2-CG 4.34Å; V69-L99 HydrophobicContact CG1-CD1 3.87Å; V69-L99 HydrophobicContact CG1-CD2 4.44Å; L99-E103 HydrophobicContact CB-CB 4.07Å; L99-Y104 HydrophobicContact CB-CD2 4.14Å; L99-Y104 HydrophobicContact CB-CE2 3.76Å; L99-Y104 HydrophobicContact CD1-CE1 4.42Å; L99-I107 HydrophobicContact CD1-CD1 3.67Å; L99-L140 HydrophobicContact CD1-CD1 3.45Å; L99-L140 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 100 | T | 95.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | trans | -70.7 | 158.1 | 173 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | S102 E103 Y104 | T100-S102 PolarHBondContact O-N 2.79Å; T100-E103 WeakPolarHBondContact CB-OE2 3.24Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 2.93Å; T100-E103 VanDerWaalsContact O-N 3.09Å; T100-E103 WeakPolarHBondContact OG1-CG 3.36Å; T100-E103 PolarHBondContact OG1-N 3.12Å; T100-E103 PolarHBondContact OG1-OE2 2.86Å; T100-Y104 WeakPolarHBondContact O-CD2 3.24Å; T100-Y104 PolarHBondContact O-N 2.67Å; T100-Y104 VanDerWaalsContact O-N 3.12Å | ||
| 101 | S | 93.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 36.6 Ų | 36.6 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.9 | -37.1 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | E103 Y104 D105 R413 | S101-E103 VanDerWaalsContact C-N 3.34Å; S101-E103 PolarHBondContact O-N 3.37Å; S101-Y104 PolarHBondContact O-N 2.82Å; S101-D105 PolarHBondContact O-N 2.89Å; S101-R413 PolarHBondContact O-NH2 3.43Å |
| 102 | S | 94.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -33 | 179.1 | -155.3 | 0 | 0 | 0 | 0 | 112.7 | T100 D105 T106 K311 | T100-S102 PolarHBondContact O-N 2.79Å; S102-D105 PolarHBondContact O-N 2.77Å; S102-T106 PolarHBondContact O-N 3.04Å; S102-T106 PolarHBondContact O-OG1 2.78Å; S102-K311 VanDerWaalsContact OG-CE 3.25Å; S102-K311 WeakPolarHBondContact OG-CE 3.4Å; S102-K311 PolarHBondContact OG-NZ 3.16Å |
| 103 | E | 95.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 174.2 | -73.1 | 164.3 | 125.3 | 0 | 0 | 110.7 | S70 L73 L99 T100 S101 D105 T106 I107 | S70-E103 WeakPolarHBondContact CA-OE1 3.22Å; S70-E103 WeakPolarHBondContact CB-OE1 3.11Å; S70-E103 PolarHBondContact OG-OE1 3.38Å; L73-E103 HydrophobicContact CD1-CB 3.89Å; L73-E103 HydrophobicContact CD1-CG 4.15Å; L99-E103 HydrophobicContact CB-CB 4.07Å; T100-E103 WeakPolarHBondContact CB-OE2 3.24Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 2.93Å; T100-E103 VanDerWaalsContact O-N 3.09Å; T100-E103 WeakPolarHBondContact OG1-CG 3.36Å; T100-E103 PolarHBondContact OG1-N 3.12Å; T100-E103 PolarHBondContact OG1-OE2 2.86Å; S101-E103 VanDerWaalsContact C-N 3.34Å; S101-E103 PolarHBondContact O-N 3.37Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.49Å; E103-T106 WeakPolarHBondContact O-CB 3.12Å; E103-T106 PolarHBondContact O-N 2.69Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.24Å; E103-I107 PolarHBondContact O-N 3.04Å |
| 104 | Y | 95.7 | Very high | 93 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 171.6 | -77.1 | -63.5 | 0 | 0 | 0 | 113.3 | D98 L99 T100 S101 T106 I107 T108 I136 T139 N143 | D98-Y104 VanDerWaalsContact OD1-CE2 3.24Å; D98-Y104 WeakPolarHBondContact OD1-CE2 3.12Å; D98-Y104 VanDerWaalsContact OD1-CZ 3.32Å; D98-Y104 PolarHBondContact OD1-OH 2.68Å; L99-Y104 HydrophobicContact CB-CD2 4.14Å; L99-Y104 HydrophobicContact CB-CE2 3.76Å; L99-Y104 HydrophobicContact CD1-CE1 4.42Å; T100-Y104 WeakPolarHBondContact O-CD2 3.24Å; T100-Y104 PolarHBondContact O-N 2.67Å; T100-Y104 VanDerWaalsContact O-N 3.12Å; S101-Y104 PolarHBondContact O-N 2.82Å; Y104-T106 VanDerWaalsContact C-N 3.35Å; Y104-I107 HydrophobicContact CD1-CD1 4.45Å; Y104-I107 PolarHBondContact O-N 3.04Å; Y104-T108 VanDerWaalsContact O-CB 3.26Å; Y104-T108 WeakPolarHBondContact O-CB 3.15Å; Y104-T108 PolarHBondContact O-N 3.09Å; Y104-T108 PolarHBondContact O-OG1 3.49Å; Y104-I136 WeakPolarHBondContact OH-CD1 3.35Å; Y104-T139 HydrophobicContact CE1-CG2 4.08Å; Y104-T139 WeakPolarHBondContact OH-CG2 3.11Å; Y104-N143 HydrophobicContact CD1-CB 3.86Å; Y104-N143 HydrophobicContact CE1-CB 4.2Å |
| 105 | D | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 172.5 | -62.9 | -19.1 | 0 | 0 | 0 | 109.6 | S101 S102 E103 I107 T108 N109 Q411 R413 | S101-D105 PolarHBondContact O-N 2.89Å; S102-D105 PolarHBondContact O-N 2.77Å; E103-D105 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.49Å; D105-I107 PolarHBondContact O-N 3.43Å; D105-T108 PolarHBondContact O-N 3.48Å; D105-N109 WeakPolarHBondContact O-CB 3.45Å; D105-N109 PolarHBondContact O-N 3.36Å; D105-N109 PolarHBondContact O-ND2 2.96Å; D105-N109 PolarHBondContact O-OD1 2.77Å; D105-Q411 WeakPolarHBondContact OD1-CB 3.44Å; D105-R413 IonicContact OD1-CZ 3.11Å; D105-R413 IonicContact OD1-NE 2.74Å; D105-R413 PolarHBondContact OD1-NE 2.87Å; D105-R413 IonicContact OD1-NH2 2.65Å; D105-R413 PolarHBondContact OD1-NH2 2.95Å; D105-R413 IonicContact OD2-NE 3.03Å; D105-R413 PolarHBondContact OD2-NE 3.21Å; D105-R413 IonicContact OD2-NH2 3.98Å |
| 106 | T | 92.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | L73 L80 S102 E103 Y104 T108 N110 | L73-T106 HydrophobicContact CD2-CG2 4.1Å; L80-T106 HydrophobicContact CD1-CG2 3.64Å; S102-T106 PolarHBondContact O-N 3.04Å; S102-T106 PolarHBondContact O-OG1 2.78Å; E103-T106 WeakPolarHBondContact O-CB 3.12Å; E103-T106 PolarHBondContact O-N 2.69Å; Y104-T106 VanDerWaalsContact C-N 3.35Å; T106-T108 PolarHBondContact O-N 3.49Å; T106-N110 VanDerWaalsContact O-CB 3.25Å; T106-N110 WeakPolarHBondContact O-CB 3.22Å; T106-N110 PolarHBondContact O-N 2.8Å; T106-N110 PolarHBondContact O-ND2 2.8Å |
| 107 | I | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -51 | 177.5 | -70.7 | 165.5 | 0 | 0 | 0 | 110.6 | V69 L73 L99 E103 Y104 D105 N111 V112 I114 L140 | V69-I107 HydrophobicContact CG1-CD1 4.37Å; L73-I107 HydrophobicContact CD1-CD1 3.92Å; L73-I107 HydrophobicContact CD1-CG1 3.75Å; L73-I107 HydrophobicContact CD2-CG1 3.85Å; L73-I107 HydrophobicContact CG-CG1 4.43Å; L99-I107 HydrophobicContact CD1-CD1 3.67Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.24Å; E103-I107 PolarHBondContact O-N 3.04Å; Y104-I107 HydrophobicContact CD1-CD1 4.45Å; Y104-I107 PolarHBondContact O-N 3.04Å; D105-I107 PolarHBondContact O-N 3.43Å; I107-N111 PolarHBondContact O-N 2.8Å; I107-V112 HydrophobicContact CG2-CB 4.43Å; I107-V112 PolarHBondContact O-N 2.85Å; I107-I114 HydrophobicContact CD1-CD1 3.79Å; I107-I114 HydrophobicContact CG1-CD1 4.01Å; I107-I114 HydrophobicContact CG2-CD1 4.39Å; I107-L140 HydrophobicContact CD1-CD1 3.97Å |
| 108 | T | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.2 | -51.4 | -170.5 | -51.5 | 0 | 0 | 0 | 0 | 111 | Y104 D105 T106 N110 N111 K394 S409 Q411 | Y104-T108 VanDerWaalsContact O-CB 3.26Å; Y104-T108 WeakPolarHBondContact O-CB 3.15Å; Y104-T108 PolarHBondContact O-N 3.09Å; Y104-T108 PolarHBondContact O-OG1 3.49Å; D105-T108 PolarHBondContact O-N 3.48Å; T106-T108 PolarHBondContact O-N 3.49Å; T108-N110 VanDerWaalsContact C-N 3.29Å; T108-N110 PolarHBondContact O-N 2.65Å; T108-N111 PolarHBondContact O-N 3.34Å; T108-K394 HydrophobicContact CG2-CD 4.13Å; T108-K394 HydrophobicContact CG2-CG 4Å; T108-S409 CarbonylContact C-O 3.56Å; T108-S409 VanDerWaalsContact CG2-CB 3.49Å; T108-Q411 HydrophobicContact CG2-CG 4.18Å |
| 109 | N | 91.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -33.2 | -175 | -60.7 | -3.5 | 0 | 0 | 0 | 111.9 | D105 N111 Y297 D310 R408 S409 F410 Q411 | D105-N109 WeakPolarHBondContact O-CB 3.45Å; D105-N109 PolarHBondContact O-N 3.36Å; D105-N109 PolarHBondContact O-ND2 2.96Å; D105-N109 PolarHBondContact O-OD1 2.77Å; N109-N111 VanDerWaalsContact C-N 3.35Å; N109-Y297 HydrophobicContact CB-CD2 4.18Å; N109-Y297 HydrophobicContact CB-CE2 3.89Å; N109-D310 PolarHBondContact ND2-O 3.37Å; N109-R408 PolarHBondContact O-NH2 2.93Å; N109-S409 WeakPolarHBondContact CA-O 3.3Å; N109-F410 WeakPolarHBondContact OD1-CA 3.12Å; N109-F410 WeakPolarHBondContact OD1-CB 3.43Å; N109-Q411 PolarHBondContact OD1-N 3.28Å |
| 110 | N | 88.4 | Confident | 92.3 | Very high | 50 Ų | 50 | 18.6 Ų | 18.6 | 27% | 0.267 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 0.3 | 174.6 | -67.6 | -84.2 | 0 | 0 | 0 | 113.1 | L80 E81 S82 T106 T108 V112 | L80-N110 HydrophobicContact CB-CB 4.21Å; E81-N110 CarbonylContact C-O 3.55Å; E81-N110 VanDerWaalsContact CA-O 3.27Å; E81-N110 WeakPolarHBondContact CA-O 3.33Å; S82-N110 PolarHBondContact N-O 2.74Å; T106-N110 VanDerWaalsContact O-CB 3.25Å; T106-N110 WeakPolarHBondContact O-CB 3.22Å; T106-N110 PolarHBondContact O-N 2.8Å; T106-N110 PolarHBondContact O-ND2 2.8Å; T108-N110 VanDerWaalsContact C-N 3.29Å; T108-N110 PolarHBondContact O-N 2.65Å; N110-V112 HydrophobicContact CB-CG2 3.99Å; N110-V112 PolarHBondContact O-N 2.93Å |
| 111 | N | 89.1 | Confident | 91.8 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.1 | -176.9 | -157.9 | 33.4 | 0 | 0 | 0 | 112.9 | S82 I107 T108 N109 K113 N145 N407 | S82-N111 WeakPolarHBondContact CA-O 3.23Å; I107-N111 PolarHBondContact O-N 2.8Å; T108-N111 PolarHBondContact O-N 3.34Å; N109-N111 VanDerWaalsContact C-N 3.35Å; N111-K113 PolarHBondContact O-N 3.38Å; N111-N145 PolarHBondContact OD1-ND2 3.33Å; N111-N407 PolarHBondContact ND2-O 2.92Å |
| 112 | V | 91 | Very high | 91.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -68 | 120.2 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | F72 L80 S83 V85 I107 N110 I114 S144 | F72-V112 HydrophobicContact CE1-CG1 3.89Å; L80-V112 HydrophobicContact CB-CG2 4.19Å; L80-V112 WeakPolarHBondContact O-CG2 3.07Å; S83-V112 CarbonylContact O-C 3.5Å; S83-V112 WeakPolarHBondContact O-CA 3.33Å; V85-V112 HydrophobicContact CG2-CG1 4.36Å; I107-V112 HydrophobicContact CG2-CB 4.43Å; I107-V112 PolarHBondContact O-N 2.85Å; N110-V112 HydrophobicContact CB-CG2 3.99Å; N110-V112 PolarHBondContact O-N 2.93Å; V112-I114 HydrophobicContact CG1-CD1 4.39Å; V112-I114 HydrophobicContact CG1-CG1 3.97Å; V112-S144 WeakPolarHBondContact O-CA 3.45Å; V112-S144 WeakPolarHBondContact O-CB 3.17Å | ||
| 113 | K | 92.9 | Very high | 91 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.03 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.9 | -179.3 | -60.8 | 167.8 | -175.5 | 156.8 | 0 | 110 | S83 M84 V85 N111 F115 S144 A168 W286 | S83-K113 PolarHBondContact O-N 2.96Å; M84-K113 CarbonylContact C-O 3.36Å; M84-K113 WeakPolarHBondContact CA-O 3.46Å; V85-K113 PolarHBondContact N-O 2.98Å; N111-K113 PolarHBondContact O-N 3.38Å; K113-F115 HydrophobicContact CB-CD2 4.36Å; K113-F115 HydrophobicContact CB-CE2 3.55Å; K113-F115 HydrophobicContact CB-CZ 4.15Å; K113-F115 HydrophobicContact CD-CE2 4.48Å; K113-S144 WeakPolarHBondContact CA-O 3.31Å; K113-A168 PolarHBondContact NZ-O 2.72Å; K113-W286 HydrophobicContact CD-CH2 4.27Å |
| 114 | I | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.7 | -179.2 | -49.4 | 176.5 | 0 | 0 | 0 | 109.8 | V69 V85 L87 I107 V112 P116 L140 S144 A146 | V69-I114 HydrophobicContact CG1-CD1 3.87Å; V85-I114 HydrophobicContact CB-CB 4.47Å; V85-I114 HydrophobicContact CB-CG1 4.19Å; V85-I114 HydrophobicContact CB-CG2 4.12Å; V85-I114 HydrophobicContact CG1-CG2 4.21Å; V85-I114 HydrophobicContact CG2-CG1 4.49Å; V85-I114 CarbonylContact O-C 3.59Å; V85-I114 WeakPolarHBondContact O-CA 3.03Å; L87-I114 HydrophobicContact CD1-CG2 3.51Å; L87-I114 HydrophobicContact CG-CG2 3.9Å; I107-I114 HydrophobicContact CD1-CD1 3.79Å; I107-I114 HydrophobicContact CG1-CD1 4.01Å; I107-I114 HydrophobicContact CG2-CD1 4.39Å; V112-I114 HydrophobicContact CG1-CD1 4.39Å; V112-I114 HydrophobicContact CG1-CG1 3.97Å; I114-P116 WeakPolarHBondContact O-CD 3.4Å; I114-L140 HydrophobicContact CB-CD2 3.89Å; I114-L140 HydrophobicContact CB-CG 4.17Å; I114-L140 HydrophobicContact CD1-CD1 3.98Å; I114-L140 HydrophobicContact CD1-CD2 4.19Å; I114-L140 HydrophobicContact CD1-CG 4.07Å; I114-L140 HydrophobicContact CG2-CD2 3.39Å; I114-L140 HydrophobicContact CG2-CG 4.22Å; I114-S144 PolarHBondContact N-OG 2.92Å; I114-S144 PolarHBondContact O-OG 2.82Å; I114-A146 VanDerWaalsContact C-CB 3.49Å; I114-A146 WeakPolarHBondContact O-CB 3.24Å |
| 115 | F | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 96.3 | -177.1 | -63.7 | -90.6 | 0 | 0 | 0 | 110.9 | M84 V85 V86 L87 K113 I117 A146 H147 L164 A168 | M84-F115 HydrophobicContact CE-CD2 3.59Å; M84-F115 HydrophobicContact CE-CE2 3.57Å; M84-F115 HydrophobicContact CE-CG 4.37Å; M84-F115 HydrophobicContact CE-CZ 4.35Å; M84-F115 HydrophobicContact CG-CD2 3.97Å; M84-F115 HydrophobicContact CG-CE2 3.86Å; M84-F115 HydrophobicContact SD-CD2 4.44Å; M84-F115 HydrophobicContact SD-CE2 4.09Å; V85-F115 PolarHBondContact O-N 3.34Å; V86-F115 HydrophobicContact CG2-CB 4.45Å; L87-F115 PolarHBondContact N-O 3.22Å; K113-F115 HydrophobicContact CB-CD2 4.36Å; K113-F115 HydrophobicContact CB-CE2 3.55Å; K113-F115 HydrophobicContact CB-CZ 4.15Å; K113-F115 HydrophobicContact CD-CE2 4.48Å; F115-I117 PolarHBondContact O-N 2.95Å; F115-A146 HydrophobicContact CD1-CB 3.73Å; F115-A146 HydrophobicContact CD2-CB 4.12Å; F115-A146 HydrophobicContact CE1-CB 3.63Å; F115-A146 HydrophobicContact CE2-CB 4.04Å; F115-A146 HydrophobicContact CG-CB 3.96Å; F115-A146 HydrophobicContact CZ-CB 3.79Å; F115-H147 HydrophobicContact CD1-CB 4.2Å; F115-H147 HydrophobicContact CE1-CB 4.37Å; F115-L164 HydrophobicContact CB-CD1 4.32Å; F115-L164 HydrophobicContact CD1-CD1 3.74Å; F115-L164 HydrophobicContact CD1-CD2 3.82Å; F115-L164 HydrophobicContact CD1-CG 4.38Å; F115-L164 HydrophobicContact CE1-CD1 4.33Å; F115-L164 HydrophobicContact CE1-CD2 3.56Å; F115-L164 HydrophobicContact CG-CD1 4.11Å; F115-L164 HydrophobicContact CZ-CD2 4.3Å; F115-A168 HydrophobicContact CE1-CB 4.39Å; F115-A168 HydrophobicContact CE2-CB 4.26Å; F115-A168 HydrophobicContact CZ-CB 3.62Å |
| 116 | P | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 128.6 | 166.5 | -11.1 | 27.4 | 0 | 0 | 0 | 109.6 | I114 F137 L140 H147 F148 V149 | I114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-F137 HydrophobicContact CB-CB 3.85Å; P116-F137 HydrophobicContact CB-CD1 3.69Å; P116-F137 HydrophobicContact CB-CE1 4.4Å; P116-F137 HydrophobicContact CB-CG 3.81Å; P116-F137 HydrophobicContact CG-CB 3.8Å; P116-F137 HydrophobicContact CG-CD1 3.81Å; P116-F137 HydrophobicContact CG-CG 4.1Å; P116-L140 HydrophobicContact CG-CD2 4.17Å; P116-H147 WeakPolarHBondContact CD-O 3.39Å; P116-F148 HydrophobicContact CB-CD2 3.79Å; P116-F148 HydrophobicContact CB-CE2 4.22Å; P116-F148 HydrophobicContact CG-CD2 4.46Å; P116-F148 WeakPolarHBondContact O-CD2 3.34Å; P116-V149 PolarHBondContact O-N 2.81Å |
| 117 | I | 91.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.9 | 177.8 | -53.5 | -175.4 | 0 | 0 | 0 | 107.9 | V86 L87 L88 V89 F115 V149 L157 F161 L164 | V86-I117 HydrophobicContact CG1-CD1 3.67Å; V86-I117 HydrophobicContact CG1-CG1 4.21Å; L87-I117 PolarHBondContact O-N 2.87Å; L88-I117 HydrophobicContact CD2-CB 4.02Å; L88-I117 HydrophobicContact CD2-CD1 4.29Å; L88-I117 HydrophobicContact CD2-CG2 4.44Å; V89-I117 PolarHBondContact N-O 2.88Å; F115-I117 PolarHBondContact O-N 2.95Å; I117-V149 WeakPolarHBondContact CA-O 3.46Å; I117-V149 HydrophobicContact CG1-CB 4.23Å; I117-V149 HydrophobicContact CG2-CB 4.37Å; I117-L157 HydrophobicContact CG2-CD1 4.39Å; I117-L157 HydrophobicContact CG2-CD2 3.63Å; I117-L157 HydrophobicContact CG2-CG 4.5Å; I117-F161 HydrophobicContact CD1-CD2 4.47Å; I117-L164 HydrophobicContact CD1-CD1 4.02Å |
| 118 | S | 88.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.8 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | V89 V149 L150 G151 | V89-S118 WeakPolarHBondContact O-CA 3.23Å; V89-S118 PolarHBondContact O-OG 2.79Å; S118-V149 PolarHBondContact N-O 2.99Å; S118-L150 WeakPolarHBondContact O-CA 3.13Å; S118-G151 PolarHBondContact O-N 3.25Å |
| 119 | S | 87.5 | Confident | 88.5 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 8% | 0.077 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.2 | 165.2 | 89.9 | 0 | 0 | 0 | 0 | 110.7 | N121 S122 Y123 G151 | S119-N121 PolarHBondContact O-N 3.19Å; S119-S122 PolarHBondContact O-N 3.45Å; S119-S122 WeakPolarHBondContact OG-CB 3.35Å; S119-S122 PolarHBondContact OG-N 3.26Å; S119-S122 PolarHBondContact OG-OG 3.47Å; S119-Y123 PolarHBondContact O-N 3.32Å; S119-G151 CarbonylContact C-O 3.54Å; S119-G151 VanDerWaalsContact CA-O 3.24Å; S119-G151 WeakPolarHBondContact CA-O 3.39Å |
| 120 | A | 85.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y123 V124 G151 F220 Y222 | A120-Y123 WeakPolarHBondContact O-CB 3.36Å; A120-Y123 PolarHBondContact O-N 3Å; A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 3.02Å; A120-G151 PolarHBondContact N-O 3.48Å; A120-F220 HydrophobicContact CB-CD1 3.7Å; A120-F220 HydrophobicContact CB-CE1 3.6Å; A120-Y222 WeakPolarHBondContact CB-OH 3.5Å |
| 121 | N | 84.5 | Confident | 88.5 | Confident | 109 Ų | 109 | 34.7 Ų | 34.7 | 58% | 0.583 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.1 | -46.5 | 174.3 | -72 | -14.4 | 0 | 0 | 0 | 111.8 | S119 Y123 V124 Q125 | S119-N121 PolarHBondContact O-N 3.19Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.02Å; N121-V124 PolarHBondContact O-N 3.14Å; N121-Q125 WeakPolarHBondContact O-CB 3.41Å; N121-Q125 VanDerWaalsContact O-CG 3.26Å; N121-Q125 WeakPolarHBondContact O-CG 3.3Å; N121-Q125 PolarHBondContact O-N 2.94Å |
| 122 | S | 85.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 175.1 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | N90 S119 Q125 Q126 | N90-S122 PolarHBondContact OD1-OG 3.08Å; S119-S122 PolarHBondContact O-N 3.45Å; S119-S122 WeakPolarHBondContact OG-CB 3.35Å; S119-S122 PolarHBondContact OG-N 3.26Å; S119-S122 PolarHBondContact OG-OG 3.47Å; S122-Q125 PolarHBondContact O-N 3.28Å; S122-Q126 WeakPolarHBondContact O-CB 3.26Å; S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 3.04Å |
| 123 | Y | 85.7 | Confident | 88.3 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -54.6 | 177.1 | -171.9 | -94.7 | 0 | 0 | 0 | 111.1 | W92 S119 A120 N121 Q125 Q126 I127 A134 F148 L150 L214 F220 | W92-Y123 HydrophobicContact CH2-CD2 4.08Å; W92-Y123 AromaticContact CH2-CE2 3.97Å; W92-Y123 HydrophobicContact CH2-CE2 3.97Å; W92-Y123 AromaticContact CZ2-CD2 3.36Å; W92-Y123 HydrophobicContact CZ2-CD2 3.36Å; W92-Y123 AromaticContact CZ2-CE2 3.65Å; W92-Y123 HydrophobicContact CZ2-CE2 3.65Å; W92-Y123 AromaticContact CZ2-CG 3.89Å; W92-Y123 HydrophobicContact CZ2-CG 3.89Å; W92-Y123 WeakPolarHBondContact CZ2-O 3.43Å; S119-Y123 PolarHBondContact O-N 3.32Å; A120-Y123 WeakPolarHBondContact O-CB 3.36Å; A120-Y123 PolarHBondContact O-N 3Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.02Å; Y123-Q125 VanDerWaalsContact C-N 3.29Å; Y123-Q125 PolarHBondContact O-N 3.44Å; Y123-Q126 PolarHBondContact O-N 2.98Å; Y123-Q126 VanDerWaalsContact O-N 3.15Å; Y123-I127 HydrophobicContact CD1-CD1 3.76Å; Y123-I127 HydrophobicContact CD1-CG1 4.22Å; Y123-I127 HydrophobicContact CE1-CD1 3.57Å; Y123-I127 HydrophobicContact CE1-CG1 4.05Å; Y123-I127 WeakPolarHBondContact O-CG1 3.37Å; Y123-I127 PolarHBondContact O-N 2.84Å; Y123-I127 VanDerWaalsContact O-N 3.09Å; Y123-A134 HydrophobicContact CE2-CB 4.19Å; Y123-F148 HydrophobicContact CD2-CZ 4.44Å; Y123-F148 HydrophobicContact CE2-CE1 4.39Å; Y123-F148 HydrophobicContact CE2-CZ 4.36Å; Y123-L150 HydrophobicContact CD1-CD1 4.16Å; Y123-L150 HydrophobicContact CD2-CD1 3.57Å; Y123-L150 HydrophobicContact CD2-CD2 3.58Å; Y123-L150 HydrophobicContact CD2-CG 4.24Å; Y123-L150 HydrophobicContact CE1-CD1 4.23Å; Y123-L150 HydrophobicContact CE2-CD1 3.69Å; Y123-L150 HydrophobicContact CE2-CD2 4.32Å; Y123-L150 HydrophobicContact CG-CD1 3.85Å; Y123-L150 HydrophobicContact CG-CD2 4.05Å; Y123-L214 PolarHBondContact OH-O 3.44Å; Y123-F220 HydrophobicContact CD1-CB 4.14Å; Y123-F220 AromaticContact CD1-CD2 3.97Å; Y123-F220 HydrophobicContact CD1-CD2 3.97Å; Y123-F220 HydrophobicContact CD1-CG 4.12Å; Y123-F220 HydrophobicContact CE1-CB 4.45Å; Y123-F220 AromaticContact CE1-CD2 3.94Å; Y123-F220 HydrophobicContact CE1-CD2 3.94Å; Y123-F220 HydrophobicContact CE1-CG 4.45Å |
| 124 | V | 83.9 | Confident | 88.1 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 179.2 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | A120 N121 P128 F220 | A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 3.02Å; N121-V124 PolarHBondContact O-N 3.14Å; V124-P128 WeakPolarHBondContact O-CD 3.13Å; V124-F220 HydrophobicContact CG2-CB 3.78Å |
| 125 | Q | 85.3 | Confident | 87.7 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -70.6 | -30.6 | 178.5 | -73.9 | 175.5 | 2.2 | 0 | 0 | 113.5 | N121 S122 Y123 P128 | N121-Q125 WeakPolarHBondContact O-CB 3.41Å; N121-Q125 VanDerWaalsContact O-CG 3.26Å; N121-Q125 WeakPolarHBondContact O-CG 3.3Å; N121-Q125 PolarHBondContact O-N 2.94Å; S122-Q125 PolarHBondContact O-N 3.28Å; Y123-Q125 VanDerWaalsContact C-N 3.29Å; Y123-Q125 PolarHBondContact O-N 3.44Å; Q125-P128 WeakPolarHBondContact O-CD 3.2Å |
| 126 | Q | 86.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -88.2 | -27 | -176.7 | -67.8 | -72.6 | -64.2 | 0 | 0 | 112.9 | N90 W92 S122 Y123 P128 I129 | N90-Q126 WeakPolarHBondContact O-CG 3.19Å; W92-Q126 HydrophobicContact CD2-CB 3.5Å; W92-Q126 HydrophobicContact CD2-CG 4.35Å; W92-Q126 VanDerWaalsContact CE2-CB 3.44Å; W92-Q126 HydrophobicContact CE3-CB 3.82Å; W92-Q126 HydrophobicContact CG-CB 4Å; W92-Q126 HydrophobicContact CG-CG 4.36Å; W92-Q126 HydrophobicContact CH2-CB 4.14Å; W92-Q126 HydrophobicContact CZ2-CB 3.77Å; W92-Q126 HydrophobicContact CZ3-CB 4.15Å; S122-Q126 WeakPolarHBondContact O-CB 3.26Å; S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 3.04Å; Y123-Q126 PolarHBondContact O-N 2.98Å; Y123-Q126 VanDerWaalsContact O-N 3.15Å; Q126-P128 VanDerWaalsContact C-CD 3.44Å; Q126-P128 VanDerWaalsContact C-N 3.34Å; Q126-I129 WeakPolarHBondContact O-CB 3.37Å; Q126-I129 PolarHBondContact O-N 2.95Å |
| 127 | I | 84.7 | Confident | 87.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -48.4 | 177.6 | -71.5 | 166.6 | 0 | 0 | 0 | 113.3 | W92 Y123 I129 W217 | W92-I127 HydrophobicContact CH2-CB 4.27Å; W92-I127 HydrophobicContact CH2-CG1 3.55Å; W92-I127 HydrophobicContact CZ2-CG1 4.43Å; W92-I127 HydrophobicContact CZ3-CG1 4.29Å; Y123-I127 HydrophobicContact CD1-CD1 3.76Å; Y123-I127 HydrophobicContact CD1-CG1 4.22Å; Y123-I127 HydrophobicContact CE1-CD1 3.57Å; Y123-I127 HydrophobicContact CE1-CG1 4.05Å; Y123-I127 WeakPolarHBondContact O-CG1 3.37Å; Y123-I127 PolarHBondContact O-N 2.84Å; Y123-I127 VanDerWaalsContact O-N 3.09Å; I127-I129 PolarHBondContact O-N 3.5Å; I127-W217 HydrophobicContact CG2-CB 4.17Å; I127-W217 HydrophobicContact CG2-CD2 4.07Å; I127-W217 HydrophobicContact CG2-CE3 3.81Å; I127-W217 HydrophobicContact CG2-CG 4.25Å; I127-W217 WeakPolarHBondContact O-CZ3 3.41Å |
| 128 | P | 86.6 | Confident | 87.4 | Confident | 93 Ų | 93 | 43.6 Ų | 43.6 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9 | -174.5 | -17.9 | 33.5 | 0 | 0 | 0 | 114.2 | V124 Q125 Q126 V130 | V124-P128 WeakPolarHBondContact O-CD 3.13Å; Q125-P128 WeakPolarHBondContact O-CD 3.2Å; Q126-P128 VanDerWaalsContact C-CD 3.44Å; Q126-P128 VanDerWaalsContact C-N 3.34Å; P128-V130 PolarHBondContact O-N 2.56Å; P128-V130 VanDerWaalsContact O-N 3.16Å |
| 129 | I | 87.8 | Confident | 87.5 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | trans | -83.6 | 92.9 | -176.3 | -53.7 | -179 | 0 | 0 | 0 | 109 | S59 Q126 I127 T131 A132 | S59-I129 WeakPolarHBondContact O-CD1 3.33Å; Q126-I129 WeakPolarHBondContact O-CB 3.37Å; Q126-I129 PolarHBondContact O-N 2.95Å; I127-I129 PolarHBondContact O-N 3.5Å; I129-T131 PolarHBondContact O-N 2.9Å; I129-A132 HydrophobicContact CB-CB 4.41Å; I129-A132 HydrophobicContact CG2-CB 4.07Å; I129-A132 PolarHBondContact O-N 2.65Å | ||
| 130 | V | 87.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 43.4 Ų | 43.4 | 69% | 0.685 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.8 | -174.2 | -61.9 | 0 | 0 | 0 | 0 | 115.1 | P128 A132 | P128-V130 PolarHBondContact O-N 2.56Å; P128-V130 VanDerWaalsContact O-N 3.16Å; V130-A132 VanDerWaalsContact C-N 3.32Å |
| 131 | T | 90.9 | Very high | 88.3 | Confident | 81 Ų | 81 | 43 Ų | 43 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.8 | 178.6 | 53 | 0 | 0 | 0 | 0 | 113.5 | A94 A95 I129 | A94-T131 CarbonylContact C-O 3.49Å; A94-T131 WeakPolarHBondContact CA-O 3.33Å; A95-T131 PolarHBondContact N-O 2.76Å; I129-T131 PolarHBondContact O-N 2.9Å |
| 132 | A | 89.5 | Confident | 88.8 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 151.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T62 W92 P93 I129 V130 | T62-A132 HydrophobicContact CG2-CB 4.28Å; W92-A132 HydrophobicContact CB-CB 3.96Å; P93-A132 VanDerWaalsContact O-CA 3.25Å; P93-A132 WeakPolarHBondContact O-CA 3.37Å; I129-A132 HydrophobicContact CB-CB 4.41Å; I129-A132 HydrophobicContact CG2-CB 4.07Å; I129-A132 PolarHBondContact O-N 2.65Å; V130-A132 VanDerWaalsContact C-N 3.32Å |
| 133 | S | 88.2 | Confident | 89.3 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | trans | -149.5 | 136.6 | -178.1 | -175.8 | 0 | 0 | 0 | 0 | 113.9 | P93 K135 | P93-S133 PolarHBondContact O-N 2.82Å; S133-K135 VanDerWaalsContact C-N 3.32Å; S133-K135 WeakPolarHBondContact OG-CB 3.39Å; S133-K135 PolarHBondContact OG-N 3.19Å; S133-K135 VanDerWaalsContact OG-N 3.14Å | ||
| 134 | A | 87.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -81.3 | -6.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W92 Y123 I136 F137 F148 | W92-A134 HydrophobicContact CD2-CB 3.78Å; W92-A134 HydrophobicContact CE3-CB 4.03Å; W92-A134 VanDerWaalsContact CE3-N 3.33Å; W92-A134 HydrophobicContact CG-CB 4.35Å; W92-A134 HydrophobicContact CH2-CB 3.95Å; W92-A134 HydrophobicContact CZ2-CB 3.77Å; W92-A134 HydrophobicContact CZ3-CB 4.09Å; Y123-A134 HydrophobicContact CE2-CB 4.19Å; A134-I136 PolarHBondContact O-N 2.85Å; A134-I136 VanDerWaalsContact O-N 3.1Å; A134-F137 HydrophobicContact CB-CD2 4.06Å; A134-F137 WeakPolarHBondContact O-CB 3.39Å; A134-F137 PolarHBondContact O-N 2.6Å; A134-F148 HydrophobicContact CB-CE1 4.22Å; A134-F148 HydrophobicContact CB-CZ 4.2Å |
| 135 | K | 87 | Confident | 90.3 | Very high | 127 Ų | 127 | 33.3 Ų | 33.3 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -51.7 | -40.2 | -175.9 | -178.9 | -175.3 | 174.1 | -169.2 | 0 | 112.1 | S133 F137 T138 T139 | S133-K135 VanDerWaalsContact C-N 3.32Å; S133-K135 WeakPolarHBondContact OG-CB 3.39Å; S133-K135 PolarHBondContact OG-N 3.19Å; S133-K135 VanDerWaalsContact OG-N 3.14Å; K135-F137 VanDerWaalsContact C-N 3.29Å; K135-F137 PolarHBondContact O-N 2.82Å; K135-T138 WeakPolarHBondContact O-CB 3.33Å; K135-T138 PolarHBondContact O-N 2.85Å; K135-T138 VanDerWaalsContact O-N 3.14Å; K135-T139 PolarHBondContact O-N 3.46Å |
| 136 | I | 89.8 | Confident | 90.7 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -33.2 | -179.5 | -173.7 | 56 | 0 | 0 | 0 | 113 | L66 P93 D98 Y104 A134 T138 T139 L140 | L66-I136 HydrophobicContact CD1-CG1 4.27Å; L66-I136 HydrophobicContact CD2-CG1 3.69Å; P93-I136 HydrophobicContact CG-CG2 3.33Å; D98-I136 HydrophobicContact CB-CD1 4.48Å; D98-I136 WeakPolarHBondContact OD1-CD1 2.96Å; Y104-I136 WeakPolarHBondContact OH-CD1 3.35Å; A134-I136 PolarHBondContact O-N 2.85Å; A134-I136 VanDerWaalsContact O-N 3.1Å; I136-T138 VanDerWaalsContact C-N 3.27Å; I136-T138 PolarHBondContact O-N 2.86Å; I136-T139 PolarHBondContact O-N 3.47Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 PolarHBondContact O-N 3.45Å |
| 137 | F | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 176.5 | -63 | -43.4 | 0 | 0 | 0 | 111.7 | V65 V89 W92 P116 A134 K135 A141 F148 | V65-F137 HydrophobicContact CG1-CE1 3.85Å; V65-F137 HydrophobicContact CG1-CZ 4.04Å; V65-F137 HydrophobicContact CG2-CE1 4.35Å; V89-F137 HydrophobicContact CB-CE2 4.49Å; V89-F137 HydrophobicContact CB-CZ 4.08Å; V89-F137 HydrophobicContact CG1-CE1 4.08Å; V89-F137 HydrophobicContact CG1-CZ 3.87Å; V89-F137 HydrophobicContact CG2-CE2 3.94Å; V89-F137 HydrophobicContact CG2-CZ 3.94Å; W92-F137 AromaticContact CD1-CE2 3.75Å; W92-F137 HydrophobicContact CG-CE2 4.33Å; P116-F137 HydrophobicContact CB-CB 3.85Å; P116-F137 HydrophobicContact CB-CD1 3.69Å; P116-F137 HydrophobicContact CB-CE1 4.4Å; P116-F137 HydrophobicContact CB-CG 3.81Å; P116-F137 HydrophobicContact CG-CB 3.8Å; P116-F137 HydrophobicContact CG-CD1 3.81Å; P116-F137 HydrophobicContact CG-CG 4.1Å; A134-F137 HydrophobicContact CB-CD2 4.06Å; A134-F137 WeakPolarHBondContact O-CB 3.39Å; A134-F137 PolarHBondContact O-N 2.6Å; K135-F137 VanDerWaalsContact C-N 3.29Å; K135-F137 PolarHBondContact O-N 2.82Å; F137-A141 VanDerWaalsContact O-CB 3.24Å; F137-A141 WeakPolarHBondContact O-CB 3.34Å; F137-A141 PolarHBondContact O-N 3.19Å; F137-F148 HydrophobicContact CB-CD1 4.08Å; F137-F148 HydrophobicContact CB-CD2 3.9Å; F137-F148 HydrophobicContact CB-CE1 4.11Å; F137-F148 HydrophobicContact CB-CE2 3.93Å; F137-F148 HydrophobicContact CB-CG 3.98Å; F137-F148 HydrophobicContact CB-CZ 4.03Å; F137-F148 HydrophobicContact CD2-CE2 4.04Å; F137-F148 AromaticContact CD2-CZ 3.95Å; F137-F148 HydrophobicContact CD2-CZ 3.95Å; F137-F148 HydrophobicContact CG-CE2 4.27Å; F137-F148 HydrophobicContact CG-CZ 4.43Å |
| 138 | T | 90.4 | Very high | 91.5 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -48.5 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | K135 I136 A141 A142 V280 M282 V388 | K135-T138 WeakPolarHBondContact O-CB 3.33Å; K135-T138 PolarHBondContact O-N 2.85Å; K135-T138 VanDerWaalsContact O-N 3.14Å; I136-T138 VanDerWaalsContact C-N 3.27Å; I136-T138 PolarHBondContact O-N 2.86Å; T138-A141 PolarHBondContact O-N 3.25Å; T138-A142 VanDerWaalsContact O-CB 3.31Å; T138-A142 WeakPolarHBondContact O-CB 3.2Å; T138-A142 PolarHBondContact O-N 3.13Å; T138-V280 HydrophobicContact CG2-CB 4.08Å; T138-V280 HydrophobicContact CG2-CG1 3.67Å; T138-V280 HydrophobicContact CG2-CG2 4.08Å; T138-M282 HydrophobicContact CG2-CE 3.7Å; T138-M282 WeakPolarHBondContact O-CE 3.3Å; T138-V388 HydrophobicContact CG2-CG1 4.02Å |
| 139 | T | 91.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | Y104 K135 I136 A142 N143 P389 | Y104-T139 HydrophobicContact CE1-CG2 4.08Å; Y104-T139 WeakPolarHBondContact OH-CG2 3.11Å; K135-T139 PolarHBondContact O-N 3.46Å; I136-T139 PolarHBondContact O-N 3.47Å; T139-A142 PolarHBondContact O-N 3.47Å; T139-N143 WeakPolarHBondContact O-CB 3.14Å; T139-N143 PolarHBondContact O-N 2.69Å; T139-N143 PolarHBondContact O-ND2 2.85Å; T139-P389 WeakPolarHBondContact CG2-O 3.35Å; T139-P389 PolarHBondContact OG1-O 3.16Å |
| 140 | L | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | 176.7 | -166.5 | 84.6 | 0 | 0 | 0 | 111.3 | V69 L87 L99 I107 I114 P116 I136 A142 N143 S144 | V69-L140 HydrophobicContact CG1-CD1 4.46Å; L87-L140 HydrophobicContact CD1-CD2 3.98Å; L99-L140 HydrophobicContact CD1-CD1 3.45Å; L99-L140 VanDerWaalsContact CD1-CD1 3.45Å; I107-L140 HydrophobicContact CD1-CD1 3.97Å; I114-L140 HydrophobicContact CB-CD2 3.89Å; I114-L140 HydrophobicContact CB-CG 4.17Å; I114-L140 HydrophobicContact CD1-CD1 3.98Å; I114-L140 HydrophobicContact CD1-CD2 4.19Å; I114-L140 HydrophobicContact CD1-CG 4.07Å; I114-L140 HydrophobicContact CG2-CD2 3.39Å; I114-L140 HydrophobicContact CG2-CG 4.22Å; P116-L140 HydrophobicContact CG-CD2 4.17Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 PolarHBondContact O-N 3.45Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 2.98Å; L140-N143 PolarHBondContact O-N 3.3Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.42Å; L140-S144 PolarHBondContact O-N 2.92Å; L140-S144 PolarHBondContact O-OG 2.94Å |
| 141 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F137 T138 S144 N145 A146 F148 M282 R284 | F137-A141 VanDerWaalsContact O-CB 3.24Å; F137-A141 WeakPolarHBondContact O-CB 3.34Å; F137-A141 PolarHBondContact O-N 3.19Å; T138-A141 PolarHBondContact O-N 3.25Å; A141-S144 WeakPolarHBondContact CA-OG 3.35Å; A141-S144 PolarHBondContact O-OG 3.27Å; A141-N145 PolarHBondContact O-N 2.87Å; A141-A146 HydrophobicContact CB-CB 4.48Å; A141-A146 PolarHBondContact O-N 3.1Å; A141-F148 HydrophobicContact CB-CB 4.21Å; A141-M282 HydrophobicContact CB-CE 3.74Å; A141-M282 HydrophobicContact CB-SD 3.66Å; A141-R284 PolarHBondContact O-NH2 3.34Å |
| 142 | A | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.9 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T138 T139 L140 V388 T391 K394 | T138-A142 VanDerWaalsContact O-CB 3.31Å; T138-A142 WeakPolarHBondContact O-CB 3.2Å; T138-A142 PolarHBondContact O-N 3.13Å; T139-A142 PolarHBondContact O-N 3.47Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 2.98Å; A142-V388 HydrophobicContact CB-CB 4.09Å; A142-V388 HydrophobicContact CB-CG1 3.97Å; A142-V388 HydrophobicContact CB-CG2 4.35Å; A142-T391 HydrophobicContact CB-CG2 3.65Å; A142-K394 PolarHBondContact O-NZ 2.73Å |
| 143 | N | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.2 | -87 | -75.4 | 0 | 0 | 0 | 112.3 | Y104 T139 L140 N145 G390 T391 K394 Q411 | Y104-N143 HydrophobicContact CD1-CB 3.86Å; Y104-N143 HydrophobicContact CE1-CB 4.2Å; T139-N143 WeakPolarHBondContact O-CB 3.14Å; T139-N143 PolarHBondContact O-N 2.69Å; T139-N143 PolarHBondContact O-ND2 2.85Å; L140-N143 PolarHBondContact O-N 3.3Å; N143-N145 VanDerWaalsContact C-N 3.34Å; N143-N145 PolarHBondContact O-N 3.48Å; N143-G390 PolarHBondContact ND2-O 2.78Å; N143-G390 VanDerWaalsContact ND2-O 3.08Å; N143-G390 PolarHBondContact OD1-O 2.96Å; N143-T391 WeakPolarHBondContact ND2-CG2 3.25Å; N143-K394 WeakPolarHBondContact O-CE 3.14Å; N143-K394 PolarHBondContact O-NZ 3.37Å; N143-Q411 PolarHBondContact OD1-NE2 2.83Å |
| 144 | S | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 6.1 | -175.9 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | V112 K113 I114 L140 A141 A146 | V112-S144 WeakPolarHBondContact O-CA 3.45Å; V112-S144 WeakPolarHBondContact O-CB 3.17Å; K113-S144 WeakPolarHBondContact CA-O 3.31Å; I114-S144 PolarHBondContact N-OG 2.92Å; I114-S144 PolarHBondContact O-OG 2.82Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.42Å; L140-S144 PolarHBondContact O-N 2.92Å; L140-S144 PolarHBondContact O-OG 2.94Å; A141-S144 WeakPolarHBondContact CA-OG 3.35Å; A141-S144 PolarHBondContact O-OG 3.27Å; S144-A146 PolarHBondContact O-N 3.5Å; S144-A146 VanDerWaalsContact O-N 3.12Å; S144-A146 WeakPolarHBondContact OG-CB 3.27Å |
| 145 | N | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.7 | -173.6 | -65.9 | -40.5 | 0 | 0 | 0 | 114.3 | N111 A141 N143 L173 T176 R284 K394 S409 | N111-N145 PolarHBondContact OD1-ND2 3.33Å; A141-N145 PolarHBondContact O-N 2.87Å; N143-N145 VanDerWaalsContact C-N 3.34Å; N143-N145 PolarHBondContact O-N 3.48Å; N145-L173 HydrophobicContact CB-CD2 3.54Å; N145-T176 WeakPolarHBondContact OD1-CG2 3.25Å; N145-T176 PolarHBondContact OD1-OG1 3.16Å; N145-T176 VanDerWaalsContact OD1-OG1 3.07Å; N145-R284 VanDerWaalsContact O-CD 3.26Å; N145-R284 WeakPolarHBondContact O-CD 3.42Å; N145-R284 PolarHBondContact O-NE 3.08Å; N145-K394 PolarHBondContact OD1-NZ 3.23Å; N145-S409 PolarHBondContact ND2-OG 3.12Å |
| 146 | A | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -103.7 | -162 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I114 F115 A141 S144 R284 | I114-A146 VanDerWaalsContact C-CB 3.49Å; I114-A146 WeakPolarHBondContact O-CB 3.24Å; F115-A146 HydrophobicContact CD1-CB 3.73Å; F115-A146 HydrophobicContact CD2-CB 4.12Å; F115-A146 HydrophobicContact CE1-CB 3.63Å; F115-A146 HydrophobicContact CE2-CB 4.04Å; F115-A146 HydrophobicContact CG-CB 3.96Å; F115-A146 HydrophobicContact CZ-CB 3.79Å; A141-A146 HydrophobicContact CB-CB 4.48Å; A141-A146 PolarHBondContact O-N 3.1Å; S144-A146 PolarHBondContact O-N 3.5Å; S144-A146 VanDerWaalsContact O-N 3.12Å; S144-A146 WeakPolarHBondContact OG-CB 3.27Å; A146-R284 VanDerWaalsContact O-CZ 3.3Å; A146-R284 PolarHBondContact O-NE 3.06Å; A146-R284 PolarHBondContact O-NH2 3.04Å | ||
| 147 | H | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -126.2 | 143.4 | 175.5 | -70.9 | -81 | 0 | 0 | 0 | 110.5 | F115 P116 V149 T209 S211 F254 M282 R284 | F115-H147 HydrophobicContact CD1-CB 4.2Å; F115-H147 HydrophobicContact CE1-CB 4.37Å; P116-H147 WeakPolarHBondContact CD-O 3.39Å; H147-V149 HydrophobicContact CB-CG2 3.99Å; H147-T209 PolarHBondContact CE1-O 3.11Å; H147-T209 PolarHBondContact NE2-OG1 3.01Å; H147-S211 VanDerWaalsContact ND1-CB 3.34Å; H147-S211 WeakPolarHBondContact ND1-CB 3.32Å; H147-S211 PolarHBondContact ND1-N 2.97Å; H147-S211 PolarHBondContact ND1-OG 2.98Å; H147-F254 HydrophobicContact CB-CD2 4.29Å; H147-F254 HydrophobicContact CB-CE2 4.34Å; H147-F254 AromaticContact CD2-CE2 3.59Å; H147-F254 AromaticContact CG-CE2 3.84Å; H147-F254 AromaticContact NE2-CE2 3.88Å; H147-M282 PolarHBondContact CE1-O 3.23Å; H147-M282 PolarHBondContact ND1-O 2.86Å; H147-R284 VanDerWaalsContact NE2-CG 3.28Å; H147-R284 WeakPolarHBondContact NE2-CG 3.45Å | ||
| 148 | F | 92.6 | Very high | 90.8 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | trans | -93.9 | 110.2 | 162.4 | 177.5 | -150.5 | 0 | 0 | 0 | 109.1 | P116 Y123 A134 F137 A141 L150 N253 M282 | P116-F148 HydrophobicContact CB-CD2 3.79Å; P116-F148 HydrophobicContact CB-CE2 4.22Å; P116-F148 HydrophobicContact CG-CD2 4.46Å; P116-F148 WeakPolarHBondContact O-CD2 3.34Å; Y123-F148 HydrophobicContact CD2-CZ 4.44Å; Y123-F148 HydrophobicContact CE2-CE1 4.39Å; Y123-F148 HydrophobicContact CE2-CZ 4.36Å; A134-F148 HydrophobicContact CB-CE1 4.22Å; A134-F148 HydrophobicContact CB-CZ 4.2Å; F137-F148 HydrophobicContact CB-CD1 4.08Å; F137-F148 HydrophobicContact CB-CD2 3.9Å; F137-F148 HydrophobicContact CB-CE1 4.11Å; F137-F148 HydrophobicContact CB-CE2 3.93Å; F137-F148 HydrophobicContact CB-CG 3.98Å; F137-F148 HydrophobicContact CB-CZ 4.03Å; F137-F148 HydrophobicContact CD2-CE2 4.04Å; F137-F148 AromaticContact CD2-CZ 3.95Å; F137-F148 HydrophobicContact CD2-CZ 3.95Å; F137-F148 HydrophobicContact CG-CE2 4.27Å; F137-F148 HydrophobicContact CG-CZ 4.43Å; A141-F148 HydrophobicContact CB-CB 4.21Å; F148-L150 HydrophobicContact CE1-CD2 4.49Å; F148-L150 HydrophobicContact CE2-CD2 3.84Å; F148-L150 HydrophobicContact CZ-CD2 3.73Å; F148-L150 HydrophobicContact CZ-CG 4.34Å; F148-N253 PolarHBondContact O-ND2 2.95Å; F148-M282 HydrophobicContact CB-CE 4.29Å | ||
| 149 | V | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.6 | -173.4 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | P116 I117 S118 H147 L157 V160 N253 F254 | P116-V149 PolarHBondContact O-N 2.81Å; I117-V149 WeakPolarHBondContact CA-O 3.46Å; I117-V149 HydrophobicContact CG1-CB 4.23Å; I117-V149 HydrophobicContact CG2-CB 4.37Å; S118-V149 PolarHBondContact N-O 2.99Å; H147-V149 HydrophobicContact CB-CG2 3.99Å; V149-L157 HydrophobicContact CG1-CD2 4.27Å; V149-V160 HydrophobicContact CB-CG1 4.29Å; V149-V160 HydrophobicContact CG1-CB 4.44Å; V149-V160 HydrophobicContact CG1-CG1 3.71Å; V149-V160 HydrophobicContact CG1-CG2 4.25Å; V149-V160 HydrophobicContact CG2-CG1 3.93Å; V149-N253 WeakPolarHBondContact CA-OD1 3.34Å; V149-F254 HydrophobicContact CG1-CB 4.15Å; V149-F254 HydrophobicContact CG2-CB 4.31Å; V149-F254 HydrophobicContact CG2-CD2 3.99Å; V149-F254 HydrophobicContact CG2-CG 4.45Å |
| 150 | L | 89.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.8 | 169.4 | -59 | 178.1 | 0 | 0 | 0 | 108.6 | S118 Y123 F148 F220 T252 N253 | S118-L150 WeakPolarHBondContact O-CA 3.13Å; Y123-L150 HydrophobicContact CD1-CD1 4.16Å; Y123-L150 HydrophobicContact CD2-CD1 3.57Å; Y123-L150 HydrophobicContact CD2-CD2 3.58Å; Y123-L150 HydrophobicContact CD2-CG 4.24Å; Y123-L150 HydrophobicContact CE1-CD1 4.23Å; Y123-L150 HydrophobicContact CE2-CD1 3.69Å; Y123-L150 HydrophobicContact CE2-CD2 4.32Å; Y123-L150 HydrophobicContact CG-CD1 3.85Å; Y123-L150 HydrophobicContact CG-CD2 4.05Å; F148-L150 HydrophobicContact CE1-CD2 4.49Å; F148-L150 HydrophobicContact CE2-CD2 3.84Å; F148-L150 HydrophobicContact CZ-CD2 3.73Å; F148-L150 HydrophobicContact CZ-CG 4.34Å; L150-F220 HydrophobicContact CB-CE1 4.28Å; L150-F220 HydrophobicContact CB-CE2 4.13Å; L150-F220 HydrophobicContact CB-CZ 3.58Å; L150-F220 HydrophobicContact CD1-CD2 4.04Å; L150-F220 HydrophobicContact CD1-CE2 3.36Å; L150-F220 HydrophobicContact CD1-CZ 3.75Å; L150-F220 HydrophobicContact CG-CE2 4.39Å; L150-F220 HydrophobicContact CG-CZ 4.32Å; L150-T252 CarbonylContact O-C 3.35Å; L150-T252 WeakPolarHBondContact O-CA 3.39Å; L150-N253 PolarHBondContact N-OD1 2.65Å; L150-N253 PolarHBondContact O-N 2.87Å; L150-N253 PolarHBondContact O-OD1 2.74Å; L150-N253 VanDerWaalsContact O-OD1 3.12Å |
| 151 | G | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S118 S119 A120 Y222 G251 | S118-G151 PolarHBondContact O-N 3.25Å; S119-G151 CarbonylContact C-O 3.54Å; S119-G151 VanDerWaalsContact CA-O 3.24Å; S119-G151 WeakPolarHBondContact CA-O 3.39Å; A120-G151 PolarHBondContact N-O 3.48Å; G151-Y222 VanDerWaalsContact CA-OH 3.26Å; G151-Y222 WeakPolarHBondContact CA-OH 3.41Å; G151-G251 CarbonylContact C-O 3.58Å; G151-G251 WeakPolarHBondContact CA-O 3.35Å |
| 152 | D | 87.9 | Confident | 89.7 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | trans | -70 | 134.7 | 177.6 | -65 | -24 | 0 | 0 | 0 | 109.1 | G154 P156 L157 Y222 G251 | D152-G154 PolarHBondContact O-N 3.32Å; D152-P156 HydrophobicContact CB-CB 4.36Å; D152-P156 HydrophobicContact CB-CG 4.04Å; D152-L157 WeakPolarHBondContact O-CG 3.48Å; D152-L157 PolarHBondContact O-N 2.96Å; D152-Y222 PolarHBondContact N-OH 3.21Å; D152-Y222 PolarHBondContact OD1-OH 3.18Å; D152-G251 PolarHBondContact N-O 2.9Å; D152-G251 WeakPolarHBondContact OD2-CA 3.38Å | ||
| 153 | Y | 83.3 | Confident | 89.4 | Confident | 142 Ų | 142 | 34.4 Ų | 34.4 | 56% | 0.557 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 137.9 | 179.6 | -179.5 | -96.1 | 0 | 0 | 0 | 111.1 | M1 | M1-Y153 HydrophobicContact CE-CE2 4.4Å; M1-Y153 HydrophobicContact CG-CE2 3.97Å; M1-Y153 PolarHBondContact N-OH 2.83Å |
| 154 | G | 84.2 | Confident | 89 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 24% | 0.237 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | -130.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D152 A158 | D152-G154 PolarHBondContact O-N 3.32Å; G154-A158 WeakPolarHBondContact O-CB 3.16Å; G154-A158 PolarHBondContact O-N 2.89Å |
| 155 | K | 86.2 | Confident | 88.3 | Confident | 152 Ų | 152 | 36 Ų | 36 | 66% | 0.661 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -56.7 | -43.8 | -171.7 | -175.2 | -176.2 | 175.8 | -175.9 | 0 | 113.6 | A158 Q159 | K155-A158 VanDerWaalsContact O-CB 3.31Å; K155-A158 WeakPolarHBondContact O-CB 3.4Å; K155-A158 PolarHBondContact O-N 2.87Å; K155-Q159 HydrophobicContact CG-CG 4.33Å; K155-Q159 WeakPolarHBondContact O-CG 3.25Å; K155-Q159 PolarHBondContact O-N 3.45Å |
| 156 | P | 88.2 | Confident | 87.6 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -51.3 | -178.1 | -29.9 | 41.9 | 0 | 0 | 0 | 113.1 | D152 A158 Q159 V160 T252 | D152-P156 HydrophobicContact CB-CB 4.36Å; D152-P156 HydrophobicContact CB-CG 4.04Å; P156-A158 VanDerWaalsContact C-N 3.28Å; P156-A158 PolarHBondContact O-N 2.93Å; P156-Q159 PolarHBondContact O-N 3.46Å; P156-V160 PolarHBondContact O-N 2.93Å; P156-V160 VanDerWaalsContact O-N 3.09Å; P156-T252 HydrophobicContact CB-CG2 3.6Å |
| 157 | L | 87.9 | Confident | 87.2 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 174.9 | -72.9 | -176.7 | 0 | 0 | 0 | 113.3 | I117 V149 D152 Q159 V160 F161 | I117-L157 HydrophobicContact CG2-CD1 4.39Å; I117-L157 HydrophobicContact CG2-CD2 3.63Å; I117-L157 HydrophobicContact CG2-CG 4.5Å; V149-L157 HydrophobicContact CG1-CD2 4.27Å; D152-L157 WeakPolarHBondContact O-CG 3.48Å; D152-L157 PolarHBondContact O-N 2.96Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-V160 PolarHBondContact O-N 3.19Å; L157-F161 WeakPolarHBondContact O-CB 3.18Å; L157-F161 PolarHBondContact O-N 3.46Å |
| 158 | A | 84.4 | Confident | 86.8 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V4 G154 K155 P156 F161 Q162 | V4-A158 HydrophobicContact CB-CB 4Å; V4-A158 HydrophobicContact CG1-CB 3.22Å; V4-A158 HydrophobicContact CG2-CB 3.68Å; G154-A158 WeakPolarHBondContact O-CB 3.16Å; G154-A158 PolarHBondContact O-N 2.89Å; K155-A158 VanDerWaalsContact O-CB 3.31Å; K155-A158 WeakPolarHBondContact O-CB 3.4Å; K155-A158 PolarHBondContact O-N 2.87Å; P156-A158 VanDerWaalsContact C-N 3.28Å; P156-A158 PolarHBondContact O-N 2.93Å; A158-F161 PolarHBondContact O-N 2.89Å; A158-Q162 WeakPolarHBondContact O-CB 3.35Å; A158-Q162 VanDerWaalsContact O-CG 3.3Å; A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 3.35Å |
| 159 | Q | 87.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 179.7 | -70.9 | 177.9 | -61.9 | 0 | 0 | 111.3 | K155 P156 L157 Q162 Y163 L249 | K155-Q159 HydrophobicContact CG-CG 4.33Å; K155-Q159 WeakPolarHBondContact O-CG 3.25Å; K155-Q159 PolarHBondContact O-N 3.45Å; P156-Q159 PolarHBondContact O-N 3.46Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-Q162 PolarHBondContact O-N 2.9Å; Q159-Y163 VanDerWaalsContact O-CB 3.29Å; Q159-Y163 WeakPolarHBondContact O-CB 3.15Å; Q159-Y163 PolarHBondContact O-N 3.29Å; Q159-L249 HydrophobicContact CB-CD2 4.01Å |
| 160 | V | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -49.9 | 173.1 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | V149 P156 L157 Q162 Y163 L164 L249 T252 F254 | V149-V160 HydrophobicContact CB-CG1 4.29Å; V149-V160 HydrophobicContact CG1-CB 4.44Å; V149-V160 HydrophobicContact CG1-CG1 3.71Å; V149-V160 HydrophobicContact CG1-CG2 4.25Å; V149-V160 HydrophobicContact CG2-CG1 3.93Å; P156-V160 PolarHBondContact O-N 2.93Å; P156-V160 VanDerWaalsContact O-N 3.09Å; L157-V160 PolarHBondContact O-N 3.19Å; V160-Q162 PolarHBondContact O-N 3.38Å; V160-Y163 WeakPolarHBondContact O-CB 3.34Å; V160-Y163 PolarHBondContact O-N 2.88Å; V160-Y163 VanDerWaalsContact O-N 3.11Å; V160-L164 HydrophobicContact CG1-CD1 3.97Å; V160-L164 HydrophobicContact CG1-CG 4.24Å; V160-L164 WeakPolarHBondContact O-CG 2.93Å; V160-L164 PolarHBondContact O-N 2.89Å; V160-L249 HydrophobicContact CG2-CD1 3.77Å; V160-T252 HydrophobicContact CG2-CG2 3.72Å; V160-F254 HydrophobicContact CG1-CB 4.37Å; V160-F254 HydrophobicContact CG1-CD1 4.32Å; V160-F254 HydrophobicContact CG1-CG 4.17Å; V160-F254 HydrophobicContact CG2-CB 4.17Å; V160-F254 HydrophobicContact CG2-CD1 4.36Å; V160-F254 HydrophobicContact CG2-CG 4.49Å |
| 161 | F | 87 | Confident | 85.3 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | -179.7 | -179.4 | -95.6 | 0 | 0 | 0 | 111.6 | I6 V86 I117 L157 A158 Y163 L164 M165 | I6-F161 HydrophobicContact CG1-CE1 4.27Å; I6-F161 HydrophobicContact CG1-CZ 4.33Å; V86-F161 HydrophobicContact CB-CE2 4.12Å; V86-F161 HydrophobicContact CG1-CD2 3.97Å; V86-F161 HydrophobicContact CG1-CE2 3.86Å; V86-F161 HydrophobicContact CG2-CE2 3.99Å; I117-F161 HydrophobicContact CD1-CD2 4.47Å; L157-F161 WeakPolarHBondContact O-CB 3.18Å; L157-F161 PolarHBondContact O-N 3.46Å; A158-F161 PolarHBondContact O-N 2.89Å; F161-Y163 VanDerWaalsContact C-N 3.27Å; F161-Y163 PolarHBondContact O-N 2.98Å; F161-L164 PolarHBondContact O-N 3.18Å; F161-M165 HydrophobicContact CD1-CG 4.19Å; F161-M165 HydrophobicContact CE1-CG 3.77Å; F161-M165 HydrophobicContact CE2-CG 4.33Å; F161-M165 HydrophobicContact CE2-SD 4.41Å; F161-M165 HydrophobicContact CZ-CG 3.85Å; F161-M165 HydrophobicContact CZ-SD 4.11Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.42Å |
| 162 | Q | 83.6 | Confident | 85.3 | Confident | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.603 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.7 | -42.7 | 175 | -73.9 | 172.7 | -14 | 0 | 0 | 111.8 | A158 Q159 V160 M165 G166 | A158-Q162 WeakPolarHBondContact O-CB 3.35Å; A158-Q162 VanDerWaalsContact O-CG 3.3Å; A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 3.35Å; Q159-Q162 PolarHBondContact O-N 2.9Å; V160-Q162 PolarHBondContact O-N 3.38Å; Q162-M165 PolarHBondContact O-N 3.5Å; Q162-G166 PolarHBondContact O-N 3.26Å |
| 163 | Y | 87.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 179.4 | -163 | -85.5 | 0 | 0 | 0 | 112.2 | Q159 V160 F161 M165 G166 T167 T207 T209 F254 Y256 | Q159-Y163 VanDerWaalsContact O-CB 3.29Å; Q159-Y163 WeakPolarHBondContact O-CB 3.15Å; Q159-Y163 PolarHBondContact O-N 3.29Å; V160-Y163 WeakPolarHBondContact O-CB 3.34Å; V160-Y163 PolarHBondContact O-N 2.88Å; V160-Y163 VanDerWaalsContact O-N 3.11Å; F161-Y163 VanDerWaalsContact C-N 3.27Å; F161-Y163 PolarHBondContact O-N 2.98Å; Y163-M165 VanDerWaalsContact C-N 3.3Å; Y163-M165 PolarHBondContact O-N 2.79Å; Y163-G166 PolarHBondContact O-N 2.91Å; Y163-G166 VanDerWaalsContact O-N 3.13Å; Y163-T167 HydrophobicContact CD1-CG2 4.01Å; Y163-T167 HydrophobicContact CE1-CG2 3.52Å; Y163-T167 HydrophobicContact CE2-CG2 4.48Å; Y163-T167 WeakPolarHBondContact O-CB 3.23Å; Y163-T167 PolarHBondContact O-N 3.39Å; Y163-T167 PolarHBondContact O-OG1 2.99Å; Y163-T207 HydrophobicContact CE1-CG2 4.23Å; Y163-T207 WeakPolarHBondContact OH-CG2 3.46Å; Y163-T209 HydrophobicContact CD1-CG2 4.41Å; Y163-T209 HydrophobicContact CE1-CG2 3.68Å; Y163-F254 AromaticContact CD1-CE1 3.71Å; Y163-F254 HydrophobicContact CD1-CE1 3.71Å; Y163-F254 AromaticContact CD1-CZ 3.94Å; Y163-F254 HydrophobicContact CD1-CZ 3.94Å; Y163-F254 HydrophobicContact CE1-CE1 4.23Å; Y163-F254 HydrophobicContact CE1-CZ 4.38Å; Y163-F254 HydrophobicContact CG-CE1 4.34Å; Y163-Y256 HydrophobicContact CD2-CD1 4.05Å; Y163-Y256 HydrophobicContact CD2-CE1 4.04Å; Y163-Y256 HydrophobicContact CD2-CG 4.37Å; Y163-Y256 HydrophobicContact CE1-CD1 4.32Å; Y163-Y256 HydrophobicContact CE1-CD2 4.46Å; Y163-Y256 AromaticContact CE1-CG 3.94Å; Y163-Y256 HydrophobicContact CE1-CG 3.94Å; Y163-Y256 AromaticContact CE2-CD1 3.65Å; Y163-Y256 HydrophobicContact CE2-CD1 3.65Å; Y163-Y256 AromaticContact CE2-CD2 3.55Å; Y163-Y256 HydrophobicContact CE2-CD2 3.55Å; Y163-Y256 AromaticContact CE2-CE1 3.75Å; Y163-Y256 HydrophobicContact CE2-CE1 3.75Å; Y163-Y256 AromaticContact CE2-CE2 3.65Å; Y163-Y256 HydrophobicContact CE2-CE2 3.65Å; Y163-Y256 AromaticContact CE2-CG 3.55Å; Y163-Y256 HydrophobicContact CE2-CG 3.55Å; Y163-Y256 AromaticContact CE2-CZ 3.75Å; Y163-Y256 AromaticContact CZ-CD1 3.81Å; Y163-Y256 AromaticContact CZ-CD2 3.43Å; Y163-Y256 VanDerWaalsContact CZ-CD2 3.43Å; Y163-Y256 AromaticContact CZ-CG 3.3Å; Y163-Y256 WeakPolarHBondContact OH-CB 3Å; Y163-Y256 WeakPolarHBondContact OH-CD2 2.97Å; Y163-Y256 VanDerWaalsContact OH-CG 3.25Å |
| 164 | L | 87.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.3 | -70 | 175.4 | 0 | 0 | 0 | 111.5 | M84 F115 I117 V160 F161 G166 T167 A168 Y169 F254 | M84-L164 HydrophobicContact CE-CB 3.94Å; F115-L164 HydrophobicContact CB-CD1 4.32Å; F115-L164 HydrophobicContact CD1-CD1 3.74Å; F115-L164 HydrophobicContact CD1-CD2 3.82Å; F115-L164 HydrophobicContact CD1-CG 4.38Å; F115-L164 HydrophobicContact CE1-CD1 4.33Å; F115-L164 HydrophobicContact CE1-CD2 3.56Å; F115-L164 HydrophobicContact CG-CD1 4.11Å; F115-L164 HydrophobicContact CZ-CD2 4.3Å; I117-L164 HydrophobicContact CD1-CD1 4.02Å; V160-L164 HydrophobicContact CG1-CD1 3.97Å; V160-L164 HydrophobicContact CG1-CG 4.24Å; V160-L164 WeakPolarHBondContact O-CG 2.93Å; V160-L164 PolarHBondContact O-N 2.89Å; F161-L164 PolarHBondContact O-N 3.18Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-T167 PolarHBondContact O-N 3.49Å; L164-A168 PolarHBondContact O-N 3.47Å; L164-Y169 PolarHBondContact O-N 3.4Å; L164-F254 HydrophobicContact CD2-CE2 3.83Å; L164-F254 HydrophobicContact CD2-CZ 3.91Å |
| 165 | M | 82 | Confident | 86.7 | Confident | 35 Ų | 35 | 32.1 Ų | 32.1 | 17% | 0.172 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.9 | -30.9 | 175.2 | -66 | -53.3 | -57.3 | 0 | 0 | 113 | V9 M84 F161 Q162 Y163 Y169 | V9-M165 HydrophobicContact CG1-CE 3.86Å; V9-M165 HydrophobicContact CG2-CE 4.34Å; M84-M165 HydrophobicContact CE-SD 3.89Å; M84-M165 HydrophobicContact SD-SD 4.11Å; F161-M165 HydrophobicContact CD1-CG 4.19Å; F161-M165 HydrophobicContact CE1-CG 3.77Å; F161-M165 HydrophobicContact CE2-CG 4.33Å; F161-M165 HydrophobicContact CE2-SD 4.41Å; F161-M165 HydrophobicContact CZ-CG 3.85Å; F161-M165 HydrophobicContact CZ-SD 4.11Å; F161-M165 WeakPolarHBondContact O-CG 3.47Å; F161-M165 PolarHBondContact O-N 3.42Å; Q162-M165 PolarHBondContact O-N 3.5Å; Y163-M165 VanDerWaalsContact C-N 3.3Å; Y163-M165 PolarHBondContact O-N 2.79Å; M165-Y169 HydrophobicContact CE-CD1 4.24Å; M165-Y169 HydrophobicContact CE-CD2 4Å; M165-Y169 HydrophobicContact CE-CE2 4.4Å; M165-Y169 HydrophobicContact CE-CG 3.89Å; M165-Y169 WeakPolarHBondContact O-CB 3.25Å |
| 166 | G | 79.9 | Confident | 87.1 | Confident | 39 Ų | 39 | 25 Ų | 25 | 40% | 0.402 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -81.7 | -18.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q162 Y163 L164 | Q162-G166 PolarHBondContact O-N 3.26Å; Y163-G166 PolarHBondContact O-N 2.91Å; Y163-G166 VanDerWaalsContact O-N 3.13Å; L164-G166 VanDerWaalsContact C-N 3.34Å |
| 167 | T | 86.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -79.1 | -176.3 | 54.5 | 0 | 0 | 0 | 0 | 111 | Y163 L164 Y169 L170 D171 T207 | Y163-T167 HydrophobicContact CD1-CG2 4.01Å; Y163-T167 HydrophobicContact CE1-CG2 3.52Å; Y163-T167 HydrophobicContact CE2-CG2 4.48Å; Y163-T167 WeakPolarHBondContact O-CB 3.23Å; Y163-T167 PolarHBondContact O-N 3.39Å; Y163-T167 PolarHBondContact O-OG1 2.99Å; L164-T167 PolarHBondContact O-N 3.49Å; T167-Y169 PolarHBondContact O-N 2.83Å; T167-L170 PolarHBondContact O-N 3.19Å; T167-D171 VanDerWaalsContact O-CB 3.31Å; T167-D171 WeakPolarHBondContact O-CB 3.39Å; T167-D171 PolarHBondContact O-N 3.08Å; T167-T207 HydrophobicContact CG2-CG2 4.24Å |
| 168 | A | 85.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | K113 F115 L164 W286 | K113-A168 PolarHBondContact NZ-O 2.72Å; F115-A168 HydrophobicContact CE1-CB 4.39Å; F115-A168 HydrophobicContact CE2-CB 4.26Å; F115-A168 HydrophobicContact CZ-CB 3.62Å; L164-A168 PolarHBondContact O-N 3.47Å; A168-W286 HydrophobicContact CB-CH2 3.75Å; A168-W286 HydrophobicContact CB-CZ2 3.9Å; A168-W286 HydrophobicContact CB-CZ3 4.14Å |
| 169 | Y | 78.5 | Confident | 87.8 | Confident | 15 Ų | 15 | 23 Ų | 23 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -37 | 175.7 | -174.9 | -99.8 | 0 | 0 | 0 | 113.7 | A11 Y16 M84 L164 M165 T167 | A11-Y169 HydrophobicContact CB-CE1 3.56Å; A11-Y169 VanDerWaalsContact CB-OH 3.25Å; A11-Y169 WeakPolarHBondContact CB-OH 3.38Å; Y16-Y169 VanDerWaalsContact CB-OH 3.23Å; Y16-Y169 WeakPolarHBondContact CB-OH 3.44Å; Y16-Y169 HydrophobicContact CD1-CE2 4.24Å; Y16-Y169 HydrophobicContact CD2-CD2 4.24Å; Y16-Y169 AromaticContact CD2-CE1 3.79Å; Y16-Y169 HydrophobicContact CD2-CE1 3.79Å; Y16-Y169 AromaticContact CD2-CE2 3.41Å; Y16-Y169 HydrophobicContact CD2-CE2 3.41Å; Y16-Y169 VanDerWaalsContact CD2-CE2 3.41Å; Y16-Y169 AromaticContact CD2-CZ 3.16Å; Y16-Y169 WeakPolarHBondContact CD2-OH 3.3Å; Y16-Y169 HydrophobicContact CE1-CE2 4.39Å; Y16-Y169 HydrophobicContact CE2-CD1 4.38Å; Y16-Y169 AromaticContact CE2-CD2 3.93Å; Y16-Y169 HydrophobicContact CE2-CD2 3.93Å; Y16-Y169 HydrophobicContact CE2-CE1 4.03Å; Y16-Y169 AromaticContact CE2-CE2 3.57Å; Y16-Y169 HydrophobicContact CE2-CE2 3.57Å; Y16-Y169 HydrophobicContact CE2-CG 4.34Å; Y16-Y169 AromaticContact CE2-CZ 3.64Å; Y16-Y169 WeakPolarHBondContact CE2-O 3.14Å; Y16-Y169 AromaticContact CG-CE2 3.75Å; Y16-Y169 HydrophobicContact CG-CE2 3.75Å; Y16-Y169 AromaticContact CG-CZ 3.72Å; Y16-Y169 PolarHBondContact OH-O 2.8Å; M84-Y169 HydrophobicContact CB-CD2 4.19Å; M84-Y169 HydrophobicContact SD-CD2 3.9Å; M84-Y169 HydrophobicContact SD-CG 4.32Å; L164-Y169 PolarHBondContact O-N 3.4Å; M165-Y169 HydrophobicContact CE-CD1 4.24Å; M165-Y169 HydrophobicContact CE-CD2 4Å; M165-Y169 HydrophobicContact CE-CE2 4.4Å; M165-Y169 HydrophobicContact CE-CG 3.89Å; M165-Y169 WeakPolarHBondContact O-CB 3.25Å; T167-Y169 PolarHBondContact O-N 2.83Å |
| 170 | L | 78.3 | Confident | 87.5 | Confident | 56 Ų | 56 | 20.1 Ų | 20.1 | 29% | 0.293 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -34.9 | -172.9 | -64.7 | 178.6 | 0 | 0 | 0 | 113.2 | N12 T167 | N12-L170 HydrophobicContact CB-CD2 3.86Å; T167-L170 PolarHBondContact O-N 3.19Å |
| 171 | D | 87.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 13% | 0.128 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -91.6 | 152.7 | -173 | -66.3 | -19.4 | 0 | 0 | 0 | 111.8 | T167 W286 T287 | T167-D171 VanDerWaalsContact O-CB 3.31Å; T167-D171 WeakPolarHBondContact O-CB 3.39Å; T167-D171 PolarHBondContact O-N 3.08Å; D171-W286 HydrophobicContact CB-CB 3.94Å; D171-T287 WeakPolarHBondContact CB-O 3Å |
| 172 | S | 89.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.1 | 169.9 | -78.8 | 0 | 0 | 0 | 0 | 110.2 | W286 T287 S289 I405 | S172-W286 VanDerWaalsContact O-CA 3.29Å; S172-W286 WeakPolarHBondContact O-CA 3.47Å; S172-T287 PolarHBondContact N-O 2.54Å; S172-T287 PolarHBondContact O-N 3.25Å; S172-S289 WeakPolarHBondContact OG-CB 3.45Å; S172-I405 WeakPolarHBondContact CB-O 3.36Å; S172-I405 PolarHBondContact OG-O 2.71Å |
| 173 | L | 93.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.8 | 164.2 | -175 | 66.2 | 0 | 0 | 0 | 108.1 | N145 T176 R284 W286 V406 N407 | N145-L173 HydrophobicContact CB-CD2 3.54Å; L173-T176 HydrophobicContact CD2-CG2 4.06Å; L173-R284 HydrophobicContact CD1-CB 3.81Å; L173-R284 HydrophobicContact CD1-CG 4.39Å; L173-W286 HydrophobicContact CB-CE3 3.81Å; L173-W286 HydrophobicContact CB-CH2 4.13Å; L173-W286 HydrophobicContact CB-CZ3 3.49Å; L173-W286 VanDerWaalsContact CB-CZ3 3.49Å; L173-W286 HydrophobicContact CD1-CD2 4.05Å; L173-W286 HydrophobicContact CD1-CE3 3.96Å; L173-W286 HydrophobicContact CD1-CH2 3.7Å; L173-W286 HydrophobicContact CD1-CZ2 3.8Å; L173-W286 HydrophobicContact CD1-CZ3 3.79Å; L173-W286 HydrophobicContact CG-CH2 4.35Å; L173-W286 HydrophobicContact CG-CZ3 4.17Å; L173-V406 CarbonylContact O-C 3.59Å; L173-V406 WeakPolarHBondContact O-CA 3.47Å; L173-N407 HydrophobicContact CB-CB 4.32Å; L173-N407 HydrophobicContact CD2-CB 4.12Å; L173-N407 HydrophobicContact CG-CB 3.95Å; L173-N407 WeakPolarHBondContact O-CB 3.47Å; L173-N407 PolarHBondContact O-N 2.75Å |
| 174 | T | 94.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -37 | -176.3 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | F206 V285 T287 Q398 I405 | T174-F206 HydrophobicContact CG2-CD1 4.36Å; T174-F206 HydrophobicContact CG2-CE1 3.95Å; T174-V285 PolarHBondContact N-O 3.49Å; T174-V285 PolarHBondContact OG1-O 2.79Å; T174-V285 VanDerWaalsContact OG1-O 3.04Å; T174-T287 HydrophobicContact CG2-CG2 3.51Å; T174-Q398 PolarHBondContact O-NE2 2.88Å; T174-I405 HydrophobicContact CG2-CB 4.44Å; T174-I405 HydrophobicContact CG2-CD1 3.91Å; T174-I405 HydrophobicContact CG2-CG1 3.91Å; T174-I405 HydrophobicContact CG2-CG2 3.68Å |
| 175 | I | 95.6 | Very high | 81.1 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 149.7 | 172.4 | -167 | 170.4 | 0 | 0 | 0 | 110 | I190 G191 V269 V285 | I175-I190 HydrophobicContact CD1-CG2 3.83Å; I175-I190 HydrophobicContact CG1-CG2 3.81Å; I175-I190 HydrophobicContact CG2-CG2 4.32Å; I175-G191 VanDerWaalsContact CD1-C 3.43Å; I175-V269 HydrophobicContact CD1-CG2 4.39Å; I175-V285 HydrophobicContact CG2-CB 3.61Å; I175-V285 HydrophobicContact CG2-CG1 4.42Å; I175-V285 HydrophobicContact CG2-CG2 3.56Å; I175-V285 PolarHBondContact O-N 2.93Å |
| 176 | T | 96.2 | Very high | 80.5 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 139.2 | -171.7 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | N145 L173 V283 R284 D396 N407 | N145-T176 WeakPolarHBondContact OD1-CG2 3.25Å; N145-T176 PolarHBondContact OD1-OG1 3.16Å; N145-T176 VanDerWaalsContact OD1-OG1 3.07Å; L173-T176 HydrophobicContact CD2-CG2 4.06Å; T176-V283 WeakPolarHBondContact CA-O 3.14Å; T176-R284 WeakPolarHBondContact OG1-CD 3.4Å; T176-R284 VanDerWaalsContact OG1-CZ 3.28Å; T176-R284 PolarHBondContact OG1-NE 3.4Å; T176-R284 PolarHBondContact OG1-NH1 3.48Å; T176-R284 VanDerWaalsContact OG1-NH1 3.12Å; T176-D396 HydrophobicContact CG2-CB 4.43Å; T176-N407 WeakPolarHBondContact CG2-OD1 3.46Å |
| 177 | R | 94.5 | Very high | 80.8 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.1 | 164.8 | -105 | -64.5 | 147 | -92.2 | -4 | 112.5 | F179 I190 V283 R284 D340 C341 D396 | R177-F179 HydrophobicContact CB-CD2 4.43Å; R177-F179 HydrophobicContact CB-CE1 3.91Å; R177-F179 HydrophobicContact CB-CE2 3.7Å; R177-F179 HydrophobicContact CB-CZ 3.41Å; R177-F179 VanDerWaalsContact CB-CZ 3.41Å; R177-F179 HydrophobicContact CG-CE1 3.93Å; R177-F179 HydrophobicContact CG-CZ 3.82Å; R177-I190 HydrophobicContact CB-CB 4.45Å; R177-I190 HydrophobicContact CB-CG1 4.34Å; R177-I190 HydrophobicContact CB-CG2 4.18Å; R177-I190 WeakPolarHBondContact CG-O 3.15Å; R177-V283 PolarHBondContact N-O 3.28Å; R177-V283 PolarHBondContact O-N 3.01Å; R177-R284 VanDerWaalsContact C-NH1 3.33Å; R177-R284 PolarHBondContact O-NH1 3.38Å; R177-D340 PolarHBondContact NE-O 3.42Å; R177-D340 PolarHBondContact NH2-O 3.31Å; R177-C341 VanDerWaalsContact CD-O 3.23Å; R177-C341 WeakPolarHBondContact CD-O 3.36Å; R177-C341 PolarHBondContact NE-O 2.94Å; R177-C341 VanDerWaalsContact NH2-CA 3.29Å; R177-D396 IonicContact CZ-OD2 3.78Å; R177-D396 IonicContact NH1-OD2 3.59Å; R177-D396 PolarHBondContact NH1-OD2 3.34Å; R177-D396 IonicContact NH2-OD2 3.61Å; R177-D396 PolarHBondContact NH2-OD2 2.98Å |
| 178 | S | 92.7 | Very high | 80.9 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.2 | 168.7 | -50.2 | 0 | 0 | 0 | 0 | 107.7 | A281 R284 | S178-A281 CarbonylContact C-O 3.59Å; S178-A281 VanDerWaalsContact CA-O 3.28Å; S178-A281 WeakPolarHBondContact CA-O 3.29Å; S178-R284 PolarHBondContact OG-NH1 3.35Å; S178-R284 PolarHBondContact OG-NH2 3.25Å |
| 179 | F | 86.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.9 | -176.7 | -55.1 | -72.9 | 0 | 0 | 0 | 109.5 | R177 K188 Q189 I190 Y271 V280 A281 V283 D386 | R177-F179 HydrophobicContact CB-CD2 4.43Å; R177-F179 HydrophobicContact CB-CE1 3.91Å; R177-F179 HydrophobicContact CB-CE2 3.7Å; R177-F179 HydrophobicContact CB-CZ 3.41Å; R177-F179 VanDerWaalsContact CB-CZ 3.41Å; R177-F179 HydrophobicContact CG-CE1 3.93Å; R177-F179 HydrophobicContact CG-CZ 3.82Å; F179-K188 HydrophobicContact CB-CD 3.97Å; F179-K188 HydrophobicContact CD1-CB 3.97Å; F179-K188 HydrophobicContact CD1-CD 3.63Å; F179-K188 HydrophobicContact CD1-CG 4.43Å; F179-K188 HydrophobicContact CE1-CB 3.68Å; F179-K188 HydrophobicContact CE1-CD 4.25Å; F179-K188 HydrophobicContact CG-CD 3.85Å; F179-K188 HydrophobicContact CZ-CB 4.01Å; F179-Q189 WeakPolarHBondContact CE1-O 3.2Å; F179-Q189 WeakPolarHBondContact CZ-O 3.31Å; F179-I190 HydrophobicContact CE2-CG1 3.85Å; F179-I190 HydrophobicContact CZ-CB 4.46Å; F179-I190 HydrophobicContact CZ-CG1 3.65Å; F179-Y271 HydrophobicContact CD2-CD1 4.02Å; F179-Y271 HydrophobicContact CD2-CE1 4.45Å; F179-Y271 HydrophobicContact CD2-CG 4.37Å; F179-Y271 HydrophobicContact CE2-CD1 4.04Å; F179-Y271 AromaticContact CE2-CG 4Å; F179-Y271 HydrophobicContact CE2-CG 4Å; F179-V280 CarbonylContact O-C 3.49Å; F179-V280 WeakPolarHBondContact O-CA 3.32Å; F179-V280 WeakPolarHBondContact O-CG1 3.4Å; F179-A281 HydrophobicContact CD2-CB 4.47Å; F179-A281 PolarHBondContact N-O 2.99Å; F179-A281 PolarHBondContact O-N 3.12Å; F179-V283 HydrophobicContact CE2-CG2 4.22Å; F179-D386 CarbonylContact C-O 3.58Å; F179-D386 WeakPolarHBondContact CA-O 3.44Å |
| 180 | A | 82.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | R182 K188 D386 | A180-R182 PolarHBondContact O-N 3.09Å; A180-K188 PolarHBondContact O-NZ 3.33Å; A180-D386 PolarHBondContact N-O 3.47Å |
| 181 | D | 66.8 | Low | 82.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -77.3 | 116.6 | 174.1 | -149.9 | -8.5 | 0 | 0 | 0 | 109.6 | T183 K188 S273 G278 S279 | D181-T183 PolarHBondContact OD1-N 2.95Å; D181-K188 WeakPolarHBondContact OD1-CE 3.36Å; D181-K188 IonicContact OD1-NZ 2.68Å; D181-K188 PolarHBondContact OD1-NZ 2.69Å; D181-S273 PolarHBondContact OD2-OG 2.65Å; D181-G278 CarbonylContact O-C 3.49Å; D181-G278 WeakPolarHBondContact O-CA 3.32Å; D181-G278 PolarHBondContact O-N 2.71Å; D181-S279 WeakPolarHBondContact CA-O 3.06Å; D181-S279 WeakPolarHBondContact CB-O 3.4Å; D181-S279 PolarHBondContact N-O 2.93Å | ||
| 182 | R | 62.6 | Low | 82.8 | Confident | 141 Ų | 141 | 35.6 Ų | 35.6 | 53% | 0.532 | 19% | 0.186 | S | C | . | . | trans | -119 | -3.3 | -179.6 | -62.1 | -169 | -174.3 | -162.4 | 5.6 | 112.3 | A180 V385 | A180-R182 PolarHBondContact O-N 3.09Å; R182-V385 PolarHBondContact NE-O 2.7Å | ||
| 183 | T | 54.5 | Low | 83.1 | Confident | 75 Ų | 75 | 35.1 Ų | 35.1 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -146.3 | 117.6 | -175 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | D181 A185 D277 | D181-T183 PolarHBondContact OD1-N 2.95Å; T183-A185 PolarHBondContact O-N 3.43Å; T183-D277 WeakPolarHBondContact CA-OD1 3.42Å; T183-D277 PolarHBondContact N-OD1 3.08Å |
| 184 | N | 56.9 | Low | 83.2 | Confident | 102 Ų | 102 | 39.3 Ų | 39.3 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 127.3 | 175.8 | -65.3 | -51.7 | 0 | 0 | 0 | 111.4 | L275 D277 | N184-L275 PolarHBondContact OD1-O 2.88Å; N184-D277 PolarHBondContact N-OD1 3.14Å; N184-D277 PolarHBondContact ND2-OD2 3.22Å; N184-D277 PolarHBondContact OD1-N 3.32Å; N184-D277 PolarHBondContact OD1-OD1 2.89Å |
| 185 | A | 58.3 | Low | 83.3 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 50% | 0.504 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 39 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | T183 S273 | T183-A185 PolarHBondContact O-N 3.43Å; A185-S273 WeakPolarHBondContact CA-O 3.36Å |
| 186 | A | 70 | Confident | 83.1 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 25% | 0.248 | 20% | 0.198 | C | C | . | . | trans | -88.9 | 133.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K188 | A186-K188 PolarHBondContact O-N 2.95Š| ||
| 187 | Q | 86.2 | Confident | 82.9 | Confident | 134 Ų | 134 | 41.6 Ų | 41.6 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 123.7 | 162.8 | -73 | -175 | -20.2 | 0 | 0 | 108.7 | I270 Q272 | Q187-I270 HydrophobicContact CB-CG2 4.05Å; Q187-I270 HydrophobicContact CG-CG2 4.33Å; Q187-Q272 HydrophobicContact CG-CB 4.36Å; Q187-Q272 HydrophobicContact CG-CG 4.23Å |
| 188 | K | 87.7 | Confident | 82.6 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139 | 178.9 | -55.2 | -162.2 | -175.4 | -149.3 | 0 | 110.5 | F179 A180 D181 A186 I270 Y271 D386 | F179-K188 HydrophobicContact CB-CD 3.97Å; F179-K188 HydrophobicContact CD1-CB 3.97Å; F179-K188 HydrophobicContact CD1-CD 3.63Å; F179-K188 HydrophobicContact CD1-CG 4.43Å; F179-K188 HydrophobicContact CE1-CB 3.68Å; F179-K188 HydrophobicContact CE1-CD 4.25Å; F179-K188 HydrophobicContact CG-CD 3.85Å; F179-K188 HydrophobicContact CZ-CB 4.01Å; A180-K188 PolarHBondContact O-NZ 3.33Å; D181-K188 WeakPolarHBondContact OD1-CE 3.36Å; D181-K188 IonicContact OD1-NZ 2.68Å; D181-K188 PolarHBondContact OD1-NZ 2.69Å; A186-K188 PolarHBondContact O-N 2.95Å; K188-I270 CarbonylContact O-C 3.57Å; K188-I270 WeakPolarHBondContact O-CA 3.36Å; K188-Y271 HydrophobicContact CB-CD1 4.44Å; K188-Y271 PolarHBondContact N-O 3.38Å; K188-Y271 PolarHBondContact O-N 3.28Å; K188-D386 IonicContact NZ-OD1 3.4Å; K188-D386 PolarHBondContact NZ-OD1 2.91Å |
| 189 | Q | 89.8 | Confident | 82.3 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.1 | 176 | 173.7 | 157.6 | -21.6 | 0 | 0 | 110 | F179 T342 G343 | F179-Q189 WeakPolarHBondContact CE1-O 3.2Å; F179-Q189 WeakPolarHBondContact CZ-O 3.31Å; Q189-T342 VanDerWaalsContact O-O 3.07Å; Q189-G343 WeakPolarHBondContact CG-O 2.94Å; Q189-G343 PolarHBondContact NE2-O 3.41Å |
| 190 | I | 93.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -44.2 | 167.5 | -69.4 | 169 | 0 | 0 | 0 | 109.2 | I175 R177 F179 V230 V269 V283 G343 | I175-I190 HydrophobicContact CD1-CG2 3.83Å; I175-I190 HydrophobicContact CG1-CG2 3.81Å; I175-I190 HydrophobicContact CG2-CG2 4.32Å; R177-I190 HydrophobicContact CB-CB 4.45Å; R177-I190 HydrophobicContact CB-CG1 4.34Å; R177-I190 HydrophobicContact CB-CG2 4.18Å; R177-I190 WeakPolarHBondContact CG-O 3.15Å; F179-I190 HydrophobicContact CE2-CG1 3.85Å; F179-I190 HydrophobicContact CZ-CB 4.46Å; F179-I190 HydrophobicContact CZ-CG1 3.65Å; I190-V230 HydrophobicContact CD1-CG1 4.19Å; I190-V230 HydrophobicContact CD1-CG2 4.32Å; I190-V269 HydrophobicContact CB-CB 4.03Å; I190-V269 HydrophobicContact CB-CG1 4Å; I190-V269 HydrophobicContact CD1-CG1 3.79Å; I190-V269 HydrophobicContact CG1-CG1 4.43Å; I190-V269 HydrophobicContact CG2-CB 4.36Å; I190-V269 HydrophobicContact CG2-CG1 4.28Å; I190-V269 PolarHBondContact N-O 2.98Å; I190-V283 HydrophobicContact CD1-CB 4.06Å; I190-V283 HydrophobicContact CD1-CG1 3.63Å; I190-V283 HydrophobicContact CD1-CG2 4.35Å; I190-G343 WeakPolarHBondContact O-CA 3.43Å |
| 191 | G | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -164.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I175 Q268 V269 G343 | I175-G191 VanDerWaalsContact CD1-C 3.43Å; G191-Q268 PolarHBondContact O-NE2 3.49Å; G191-V269 PolarHBondContact N-O 2.88Å; G191-V269 PolarHBondContact O-N 3.12Å; G191-G343 VanDerWaalsContact CA-O 3.26Å; G191-G343 WeakPolarHBondContact CA-O 3.43Å |
| 192 | K | 93.9 | Very high | 84.2 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.7 | 178.3 | -69.3 | -174.8 | -179.7 | 176.9 | 0 | 110.8 | Y267 V345 Q398 | K192-Y267 WeakPolarHBondContact CA-O 3.46Å; K192-V345 HydrophobicContact CD-CG2 4.02Å; K192-V345 HydrophobicContact CG-CG2 4.37Å; K192-Q398 PolarHBondContact O-NE2 3.01Å; K192-Q398 PolarHBondContact O-OE1 2.97Å |
| 193 | L | 96.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 109.8 | 172.6 | 176.5 | 62.9 | 0 | 0 | 0 | 109.5 | F206 F232 L261 T266 Y267 V269 I405 | L193-F206 HydrophobicContact CD1-CE1 4.11Å; L193-F206 HydrophobicContact CD1-CZ 4.5Å; L193-F206 HydrophobicContact CD2-CD1 4.26Å; L193-F206 HydrophobicContact CD2-CE1 3.94Å; L193-F206 HydrophobicContact CD2-CZ 4.16Å; L193-F232 HydrophobicContact CD2-CD1 4.14Å; L193-F232 HydrophobicContact CD2-CE1 3.8Å; L193-L261 HydrophobicContact CD2-CD1 3.58Å; L193-T266 CarbonylContact O-C 3.51Å; L193-T266 WeakPolarHBondContact O-CA 3.44Å; L193-Y267 PolarHBondContact N-O 3.32Å; L193-Y267 PolarHBondContact O-N 2.85Å; L193-V269 HydrophobicContact CB-CG2 3.69Å; L193-I405 HydrophobicContact CD1-CD1 3.77Å |
| 194 | R | 95.6 | Very high | 87.7 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.1 | 164 | -176 | 173.8 | -170.3 | 122 | 3.9 | 108.1 | Y335 V400 I405 | R194-Y335 HydrophobicContact CB-CD1 4.31Å; R194-Y335 HydrophobicContact CB-CE1 4.29Å; R194-Y335 VanDerWaalsContact CD-CD1 3.48Å; R194-V400 HydrophobicContact CB-CG2 4.11Å; R194-V400 HydrophobicContact CG-CG2 4.45Å; R194-I405 VanDerWaalsContact O-CD1 3.3Å; R194-I405 WeakPolarHBondContact O-CD1 3.28Å |
| 195 | V | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -69 | 132.8 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | V204 F206 L261 K262 S264 S265 Y267 | V195-V204 HydrophobicContact CG1-CB 3.84Å; V195-V204 HydrophobicContact CG1-CG2 3.81Å; V195-F206 HydrophobicContact CB-CE2 4.48Å; V195-F206 HydrophobicContact CB-CZ 4.35Å; V195-F206 HydrophobicContact CG1-CE2 3.8Å; V195-F206 HydrophobicContact CG1-CZ 3.91Å; V195-F206 HydrophobicContact CG2-CE2 4.03Å; V195-F206 HydrophobicContact CG2-CZ 4.09Å; V195-L261 HydrophobicContact CG2-CB 3.67Å; V195-L261 HydrophobicContact CG2-CD1 4.07Å; V195-K262 WeakPolarHBondContact CB-O 3.46Å; V195-K262 WeakPolarHBondContact CG1-O 3.06Å; V195-S264 WeakPolarHBondContact O-CA 3.46Å; V195-S264 PolarHBondContact O-N 2.98Å; V195-S265 WeakPolarHBondContact CG2-O 3.3Å; V195-S265 PolarHBondContact N-O 3.38Å; V195-Y267 HydrophobicContact CG2-CD2 3.88Å; V195-Y267 HydrophobicContact CG2-CE2 3.81Å |
| 196 | P | 92.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 157 | 175.4 | 26.6 | -34.9 | 0 | 0 | 0 | 110.7 | V204 S264 V400 G402 I405 | P196-V204 HydrophobicContact CG-CG1 4.44Å; P196-V204 HydrophobicContact CG-CG2 4.46Å; P196-S264 PolarHBondContact O-N 3.26Å; P196-V400 HydrophobicContact CB-CG1 4.18Å; P196-G402 WeakPolarHBondContact CB-O 3.46Å; P196-I405 HydrophobicContact CB-CB 4.45Å; P196-I405 HydrophobicContact CB-CG2 4.4Å; P196-I405 HydrophobicContact CG-CB 4.34Å; P196-I405 HydrophobicContact CG-CG2 3.83Å |
| 197 | H | 90.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 154.3 | 168.5 | 179.3 | 52.4 | 0 | 0 | 0 | 109.3 | E199 E263 S264 H332 G402 E403 | H197-E199 IonicContact CD2-OE1 2.7Å; H197-E199 PolarHBondContact CD2-OE1 2.74Å; H197-E199 IonicContact NE2-OE1 3.49Å; H197-E199 PolarHBondContact NE2-OE1 2.75Å; H197-E199 VanDerWaalsContact NE2-OE1 3.13Å; H197-E199 IonicContact NE2-OE2 2.65Å; H197-E263 WeakPolarHBondContact CA-OE2 3.5Å; H197-E263 IonicContact CE1-OE2 3.14Å; H197-E263 PolarHBondContact CE1-OE2 3.12Å; H197-E263 IonicContact CG-OE2 3.65Å; H197-E263 IonicContact ND1-OE1 3.11Å; H197-E263 IonicContact ND1-OE2 3.52Å; H197-E263 PolarHBondContact ND1-OE2 3.43Å; H197-S264 PolarHBondContact ND1-OG 3.22Å; H197-H332 AromaticContact CD2-CD2 4Å; H197-H332 AromaticContact CD2-NE2 3.58Å; H197-G402 PolarHBondContact N-O 3.09Å; H197-E403 VanDerWaalsContact O-CA 3.28Å; H197-E403 WeakPolarHBondContact O-CA 3.35Å; H197-E403 WeakPolarHBondContact O-CG 3.46Å |
| 198 | S | 88.8 | Confident | 93 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | trans | -137 | 129.9 | 163 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | T200 Q201 E263 E403 | S198-T200 PolarHBondContact O-N 2.86Å; S198-T200 PolarHBondContact OG-N 3.43Å; S198-Q201 WeakPolarHBondContact CB-O 3.3Å; S198-Q201 PolarHBondContact OG-N 3.19Å; S198-E263 PolarHBondContact N-OE2 3.25Å; S198-E403 WeakPolarHBondContact CA-OE1 3.24Å; S198-E403 PolarHBondContact OG-OE1 2.83Å | ||
| 199 | E | 85.9 | Confident | 93.4 | Very high | 121 Ų | 121 | 46.9 Ų | 46.9 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73.2 | -16.2 | 179.5 | -61.2 | -69.4 | 170 | 0 | 0 | 111.6 | H197 H332 E403 | H197-E199 IonicContact CD2-OE1 2.7Å; H197-E199 PolarHBondContact CD2-OE1 2.74Å; H197-E199 IonicContact NE2-OE1 3.49Å; H197-E199 PolarHBondContact NE2-OE1 2.75Å; H197-E199 VanDerWaalsContact NE2-OE1 3.13Å; H197-E199 IonicContact NE2-OE2 2.65Å; E199-H332 IonicContact OE1-CE1 3.91Å; E199-H332 PolarHBondContact OE1-CE1 3.48Å; E199-H332 IonicContact OE1-NE2 3.36Å; E199-H332 PolarHBondContact OE1-NE2 2.91Å; E199-H332 VanDerWaalsContact OE1-NE2 3.09Å; E199-E403 PolarHBondContact N-OE1 2.8Å |
| 200 | T | 89.1 | Confident | 93.5 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 74% | 0.742 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -123.4 | -17.2 | -171.6 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | S198 | S198-T200 PolarHBondContact O-N 2.86Å; S198-T200 PolarHBondContact OG-N 3.43Å |
| 201 | Q | 91.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | trans | -130.6 | 131 | -173.6 | -59.2 | -176.8 | -5.8 | 0 | 0 | 111.5 | S198 Y203 E263 | S198-Q201 WeakPolarHBondContact CB-O 3.3Å; S198-Q201 PolarHBondContact OG-N 3.19Å; Q201-Y203 PolarHBondContact O-N 3.22Å; Q201-Y203 PolarHBondContact OE1-O 3.38Å; Q201-E263 WeakPolarHBondContact O-CG 3.31Å | ||
| 202 | S | 95.3 | Very high | 93.1 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -72.8 | -14.5 | 174.1 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | E263 | S202-E263 WeakPolarHBondContact O-CG 3.46Å; S202-E263 PolarHBondContact O-N 3.33Å; S202-E263 VanDerWaalsContact O-N 3.14Å |
| 203 | Y | 96 | Very high | 92.3 | Very high | 120 Ų | 120 | 40.3 Ų | 40.3 | 47% | 0.471 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.2 | -177.6 | -65.2 | -87.6 | 0 | 0 | 0 | 110.1 | Q201 L261 K262 | Q201-Y203 PolarHBondContact O-N 3.22Å; Q201-Y203 PolarHBondContact OE1-O 3.38Å; Y203-L261 CarbonylContact C-O 3.6Å; Y203-L261 VanDerWaalsContact CA-O 3.26Å; Y203-L261 WeakPolarHBondContact CA-O 3.26Å; Y203-K262 HydrophobicContact CD1-CB 4.27Å; Y203-K262 HydrophobicContact CE1-CB 4.07Å |
| 204 | V | 95.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | V195 P196 F206 L261 E263 T287 | V195-V204 HydrophobicContact CG1-CB 3.84Å; V195-V204 HydrophobicContact CG1-CG2 3.81Å; P196-V204 HydrophobicContact CG-CG1 4.44Å; P196-V204 HydrophobicContact CG-CG2 4.46Å; V204-F206 HydrophobicContact CB-CE2 3.86Å; V204-F206 HydrophobicContact CB-CZ 4.47Å; V204-F206 HydrophobicContact CG1-CD2 4.4Å; V204-F206 HydrophobicContact CG1-CE2 3.82Å; V204-F206 HydrophobicContact CG1-CZ 4.12Å; V204-F206 WeakPolarHBondContact O-CD2 3.23Å; V204-L261 PolarHBondContact N-O 2.94Å; V204-L261 PolarHBondContact O-N 3.39Å; V204-E263 HydrophobicContact CG2-CB 4.14Å; V204-T287 WeakPolarHBondContact CG1-OG1 3.43Å |
| 205 | N | 95.6 | Very high | 88.9 | Confident | 88 Ų | 88 | 43 Ų | 43 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133 | 175 | -73.7 | -30.3 | 0 | 0 | 0 | 110.4 | Q260 T287 | N205-Q260 WeakPolarHBondContact OD1-CG 3.4Å; N205-Q260 PolarHBondContact OD1-NE2 2.59Å; N205-T287 PolarHBondContact O-OG1 3.14Å |
| 206 | F | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.7 | 170.6 | -68.3 | -94.6 | 0 | 0 | 0 | 110.4 | T174 L193 V195 V204 T258 V259 L261 V285 W286 T287 | T174-F206 HydrophobicContact CG2-CD1 4.36Å; T174-F206 HydrophobicContact CG2-CE1 3.95Å; L193-F206 HydrophobicContact CD1-CE1 4.11Å; L193-F206 HydrophobicContact CD1-CZ 4.5Å; L193-F206 HydrophobicContact CD2-CD1 4.26Å; L193-F206 HydrophobicContact CD2-CE1 3.94Å; L193-F206 HydrophobicContact CD2-CZ 4.16Å; V195-F206 HydrophobicContact CB-CE2 4.48Å; V195-F206 HydrophobicContact CB-CZ 4.35Å; V195-F206 HydrophobicContact CG1-CE2 3.8Å; V195-F206 HydrophobicContact CG1-CZ 3.91Å; V195-F206 HydrophobicContact CG2-CE2 4.03Å; V195-F206 HydrophobicContact CG2-CZ 4.09Å; V204-F206 HydrophobicContact CB-CE2 3.86Å; V204-F206 HydrophobicContact CB-CZ 4.47Å; V204-F206 HydrophobicContact CG1-CD2 4.4Å; V204-F206 HydrophobicContact CG1-CE2 3.82Å; V204-F206 HydrophobicContact CG1-CZ 4.12Å; V204-F206 WeakPolarHBondContact O-CD2 3.23Å; F206-T258 CarbonylContact O-C 3.55Å; F206-T258 WeakPolarHBondContact O-CA 3.12Å; F206-V259 HydrophobicContact CB-CG1 3.88Å; F206-V259 PolarHBondContact N-O 3.32Å; F206-V259 PolarHBondContact O-N 3.34Å; F206-L261 HydrophobicContact CD2-CB 4.08Å; F206-L261 HydrophobicContact CD2-CD1 3.7Å; F206-L261 HydrophobicContact CD2-CG 3.89Å; F206-L261 HydrophobicContact CE2-CB 3.92Å; F206-L261 HydrophobicContact CE2-CD1 3.83Å; F206-L261 HydrophobicContact CE2-CG 4.15Å; F206-L261 HydrophobicContact CG-CD1 4.3Å; F206-L261 HydrophobicContact CZ-CD1 4.48Å; F206-V285 HydrophobicContact CB-CG1 3.97Å; F206-V285 HydrophobicContact CD1-CG1 3.73Å; F206-V285 HydrophobicContact CG-CG1 4.22Å; F206-W286 CarbonylContact C-O 3.55Å; F206-W286 VanDerWaalsContact CA-O 3.25Å; F206-W286 WeakPolarHBondContact CA-O 3.41Å; F206-T287 HydrophobicContact CE1-CG2 4.17Å |
| 207 | T | 95.4 | Very high | 84.4 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.1 | 170.7 | -68.6 | 0 | 0 | 0 | 0 | 108.5 | Y163 T167 T209 A257 V285 W286 | Y163-T207 HydrophobicContact CE1-CG2 4.23Å; Y163-T207 WeakPolarHBondContact OH-CG2 3.46Å; T167-T207 HydrophobicContact CG2-CG2 4.24Å; T207-T209 HydrophobicContact CG2-CG2 4.13Å; T207-A257 CarbonylContact C-O 3.52Å; T207-A257 WeakPolarHBondContact CA-O 3.46Å; T207-V285 CarbonylContact O-C 3.55Å; T207-V285 WeakPolarHBondContact O-CA 3.13Å; T207-W286 PolarHBondContact N-O 3.49Å; T207-W286 PolarHBondContact O-N 3.04Å |
| 208 | I | 95.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.8 | 172.5 | -50.6 | 85.8 | 0 | 0 | 0 | 108 | I210 V230 F232 V242 F244 Y256 A257 V259 V283 R284 V285 | I208-I210 HydrophobicContact CG2-CG1 4.24Å; I208-V230 HydrophobicContact CG2-CG2 4.35Å; I208-F232 HydrophobicContact CD1-CE2 4.17Å; I208-F232 HydrophobicContact CD1-CZ 4.17Å; I208-F232 HydrophobicContact CG1-CE2 4.19Å; I208-F232 HydrophobicContact CG1-CZ 3.89Å; I208-V242 HydrophobicContact CD1-CG1 4.48Å; I208-V242 HydrophobicContact CD1-CG2 4.25Å; I208-F244 HydrophobicContact CB-CZ 3.95Å; I208-F244 HydrophobicContact CG2-CE1 4.45Å; I208-F244 HydrophobicContact CG2-CZ 3.69Å; I208-Y256 CarbonylContact O-C 3.57Å; I208-Y256 WeakPolarHBondContact O-CA 3.41Å; I208-A257 PolarHBondContact N-O 3Å; I208-A257 PolarHBondContact O-N 2.86Å; I208-V259 HydrophobicContact CD1-CB 4.12Å; I208-V259 HydrophobicContact CD1-CG1 3.66Å; I208-V283 HydrophobicContact CG2-CG1 3.95Å; I208-R284 CarbonylContact C-O 3.57Å; I208-R284 WeakPolarHBondContact CA-O 3.35Å; I208-V285 HydrophobicContact CG1-CG1 4.48Å; I208-V285 HydrophobicContact CG1-CG2 4.28Å; I208-V285 HydrophobicContact CG2-CG2 4.33Å |
| 209 | T | 94.8 | Very high | 80.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.3 | 170.7 | 60 | 0 | 0 | 0 | 0 | 110.6 | H147 Y163 T207 F254 Y255 V283 R284 W286 | H147-T209 PolarHBondContact CE1-O 3.11Å; H147-T209 PolarHBondContact NE2-OG1 3.01Å; Y163-T209 HydrophobicContact CD1-CG2 4.41Å; Y163-T209 HydrophobicContact CE1-CG2 3.68Å; T207-T209 HydrophobicContact CG2-CG2 4.13Å; T209-F254 HydrophobicContact CG2-CE1 4.37Å; T209-F254 HydrophobicContact CG2-CE2 4.4Å; T209-F254 HydrophobicContact CG2-CZ 3.66Å; T209-Y255 CarbonylContact C-O 3.54Å; T209-Y255 WeakPolarHBondContact CA-O 3.32Å; T209-V283 WeakPolarHBondContact O-CA 3.37Å; T209-R284 PolarHBondContact N-O 3.46Å; T209-R284 PolarHBondContact O-N 2.87Å; T209-R284 WeakPolarHBondContact OG1-CB 3.27Å; T209-W286 PolarHBondContact OG1-NE1 2.63Å |
| 210 | I | 93.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.4 | -179.2 | -56.1 | -172.7 | 0 | 0 | 0 | 108.9 | I208 V212 I228 V230 F244 F254 Y255 Y271 M282 V283 | I208-I210 HydrophobicContact CG2-CG1 4.24Å; I210-V212 HydrophobicContact CG2-CG2 3.97Å; I210-I228 HydrophobicContact CD1-CG2 3.93Å; I210-V230 HydrophobicContact CD1-CG2 3.96Å; I210-F244 HydrophobicContact CD1-CD1 4.38Å; I210-F244 HydrophobicContact CD1-CD2 3.85Å; I210-F244 HydrophobicContact CD1-CE1 3.88Å; I210-F244 HydrophobicContact CD1-CE2 3.31Å; I210-F244 HydrophobicContact CD1-CG 4.37Å; I210-F244 HydrophobicContact CD1-CZ 3.32Å; I210-F244 HydrophobicContact CG1-CE1 3.94Å; I210-F244 HydrophobicContact CG1-CE2 4.24Å; I210-F244 HydrophobicContact CG1-CZ 3.74Å; I210-F254 CarbonylContact O-C 3.5Å; I210-F254 WeakPolarHBondContact O-CA 3.33Å; I210-Y255 PolarHBondContact N-O 2.65Å; I210-Y255 PolarHBondContact O-N 2.59Å; I210-Y271 HydrophobicContact CD1-CE2 4.26Å; I210-M282 CarbonylContact C-O 3.53Å; I210-M282 VanDerWaalsContact CA-O 3.25Å; I210-M282 WeakPolarHBondContact CA-O 3.17Å; I210-V283 HydrophobicContact CD1-CG1 4.39Å; I210-V283 HydrophobicContact CD1-CG2 4.17Å; I210-V283 HydrophobicContact CG1-CB 4.46Å; I210-V283 HydrophobicContact CG1-CG1 4.1Å; I210-V283 HydrophobicContact CG1-CG2 4.11Å; I210-V283 HydrophobicContact CG2-CG2 4.41Å |
| 211 | S | 90.8 | Very high | 78.3 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.8 | 160.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | H147 N253 A281 M282 | H147-S211 VanDerWaalsContact ND1-CB 3.34Å; H147-S211 WeakPolarHBondContact ND1-CB 3.32Å; H147-S211 PolarHBondContact ND1-N 2.97Å; H147-S211 PolarHBondContact ND1-OG 2.98Å; S211-N253 VanDerWaalsContact CA-O 3.28Å; S211-N253 WeakPolarHBondContact CA-O 3.08Å; S211-A281 WeakPolarHBondContact O-CA 3.45Å; S211-M282 PolarHBondContact N-O 2.9Å; S211-M282 PolarHBondContact O-N 2.72Å |
| 212 | V | 87.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.4 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | I210 P223 I228 N253 Y255 L275 V280 A281 | I210-V212 HydrophobicContact CG2-CG2 3.97Å; V212-P223 HydrophobicContact CB-CG 4.03Å; V212-P223 HydrophobicContact CG1-CB 4.35Å; V212-P223 HydrophobicContact CG1-CG 3.81Å; V212-I228 HydrophobicContact CG2-CD1 4Å; V212-N253 PolarHBondContact N-O 2.95Å; V212-N253 WeakPolarHBondContact O-CB 3.36Å; V212-N253 PolarHBondContact O-ND2 3.07Å; V212-Y255 HydrophobicContact CG2-CE2 4.42Å; V212-L275 HydrophobicContact CB-CD1 4.41Å; V212-L275 HydrophobicContact CG1-CD1 3.53Å; V212-L275 HydrophobicContact CG1-CD2 3.85Å; V212-L275 HydrophobicContact CG1-CG 4.32Å; V212-L275 HydrophobicContact CG2-CD1 3.93Å; V212-V280 CarbonylContact C-O 3.51Å; V212-V280 WeakPolarHBondContact CA-O 3.5Å; V212-A281 HydrophobicContact CG2-CB 4.45Å |
| 213 | G | 77.5 | Confident | 76.1 | Confident | 16 Ų | 16 | 50 Ų | 50 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | S279 V280 | G213-S279 CarbonylContact O-C 3.6Å; G213-S279 VanDerWaalsContact O-CA 3.32Å; G213-S279 WeakPolarHBondContact O-CA 3.14Å; G213-V280 PolarHBondContact N-O 2.95Å; G213-V280 PolarHBondContact O-N 2.92Å |
| 214 | L | 64.6 | Low | 74.7 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.8 | 171.8 | -64.6 | 171.8 | 0 | 0 | 0 | 109 | Y123 G216 S279 | Y123-L214 PolarHBondContact OH-O 3.44Å; L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 3.16Å; L214-G216 VanDerWaalsContact O-N 3.08Å; L214-S279 WeakPolarHBondContact CD2-OG 3.32Å |
| 215 | N | 54.9 | Low | 73.6 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | trans | -78.1 | 83.1 | 164.9 | -71.1 | -43.8 | 0 | 0 | 0 | 108.4 | G278 V280 | N215-G278 WeakPolarHBondContact CB-O 3.38Å; N215-G278 PolarHBondContact N-O 2.96Å; N215-G278 PolarHBondContact ND2-O 3.27Å; N215-V280 WeakPolarHBondContact ND2-CG2 3.41Å | ||
| 216 | G | 50.6 | Low | 72.6 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -175.6 | 126.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L214 G218 | L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 3.16Å; L214-G216 VanDerWaalsContact O-N 3.08Å; G216-G218 PolarHBondContact O-N 2.89Å |
| 217 | W | 42.9 | Very low | 71.7 | Confident | 191 Ų | 191 | 49.9 Ų | 49.9 | 72% | 0.723 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.6 | 77.1 | -169.2 | -64.6 | 55.5 | 0 | 0 | 0 | 111.7 | I127 | I127-W217 HydrophobicContact CG2-CB 4.17Å; I127-W217 HydrophobicContact CG2-CD2 4.07Å; I127-W217 HydrophobicContact CG2-CE3 3.81Å; I127-W217 HydrophobicContact CG2-CG 4.25Å; I127-W217 WeakPolarHBondContact O-CZ3 3.41Å |
| 218 | G | 46.3 | Very low | 71.3 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -162.4 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G216 F220 | G216-G218 PolarHBondContact O-N 2.89Å; G218-F220 PolarHBondContact O-N 2.76Å |
| 219 | N | 51.4 | Low | 71.1 | Confident | 150 Ų | 150 | 50.8 Ų | 50.8 | 80% | 0.802 | 28% | 0.281 | S | S | * | . | trans | -44.5 | 108.2 | 178.9 | -86.6 | -14.3 | 0 | 0 | 0 | 110.2 | N221 | N219-N221 PolarHBondContact O-N 3.36Š| ||
| 220 | F | 62.5 | Low | 71 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | trans | -66 | 110 | 178.3 | 173.3 | -98.4 | 0 | 0 | 0 | 108.2 | A120 Y123 V124 L150 G218 Y222 | A120-F220 HydrophobicContact CB-CD1 3.7Å; A120-F220 HydrophobicContact CB-CE1 3.6Å; Y123-F220 HydrophobicContact CD1-CB 4.14Å; Y123-F220 AromaticContact CD1-CD2 3.97Å; Y123-F220 HydrophobicContact CD1-CD2 3.97Å; Y123-F220 HydrophobicContact CD1-CG 4.12Å; Y123-F220 HydrophobicContact CE1-CB 4.45Å; Y123-F220 AromaticContact CE1-CD2 3.94Å; Y123-F220 HydrophobicContact CE1-CD2 3.94Å; Y123-F220 HydrophobicContact CE1-CG 4.45Å; V124-F220 HydrophobicContact CG2-CB 3.78Å; L150-F220 HydrophobicContact CB-CE1 4.28Å; L150-F220 HydrophobicContact CB-CE2 4.13Å; L150-F220 HydrophobicContact CB-CZ 3.58Å; L150-F220 HydrophobicContact CD1-CD2 4.04Å; L150-F220 HydrophobicContact CD1-CE2 3.36Å; L150-F220 HydrophobicContact CD1-CZ 3.75Å; L150-F220 HydrophobicContact CG-CE2 4.39Å; L150-F220 HydrophobicContact CG-CZ 4.32Å; G218-F220 PolarHBondContact O-N 2.76Å; F220-Y222 HydrophobicContact CD1-CE1 4.45Å; F220-Y222 AromaticContact CE1-CD1 3.6Å; F220-Y222 HydrophobicContact CE1-CD1 3.6Å; F220-Y222 AromaticContact CE1-CE1 3.22Å; F220-Y222 HydrophobicContact CE1-CE1 3.22Å; F220-Y222 HydrophobicContact CE1-CE2 4.32Å; F220-Y222 HydrophobicContact CE1-CG 4.29Å; F220-Y222 AromaticContact CE1-CZ 3.61Å; F220-Y222 AromaticContact CZ-CD1 3.59Å; F220-Y222 HydrophobicContact CZ-CD1 3.59Å; F220-Y222 AromaticContact CZ-CE1 3.51Å; F220-Y222 HydrophobicContact CZ-CE1 3.51Å | ||
| 221 | N | 67.6 | Low | 71.2 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | trans | -110.5 | 135.6 | 166.7 | -75.1 | -28.7 | 0 | 0 | 0 | 107.5 | N219 | N219-N221 PolarHBondContact O-N 3.36Š| ||
| 222 | Y | 72.4 | Confident | 71.5 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 128.4 | 169.7 | -59.9 | -68.3 | 0 | 0 | 0 | 108.6 | A120 G151 D152 F220 N224 G251 T252 N253 | A120-Y222 WeakPolarHBondContact CB-OH 3.5Å; G151-Y222 VanDerWaalsContact CA-OH 3.26Å; G151-Y222 WeakPolarHBondContact CA-OH 3.41Å; D152-Y222 PolarHBondContact N-OH 3.21Å; D152-Y222 PolarHBondContact OD1-OH 3.18Å; F220-Y222 HydrophobicContact CD1-CE1 4.45Å; F220-Y222 AromaticContact CE1-CD1 3.6Å; F220-Y222 HydrophobicContact CE1-CD1 3.6Å; F220-Y222 AromaticContact CE1-CE1 3.22Å; F220-Y222 HydrophobicContact CE1-CE1 3.22Å; F220-Y222 HydrophobicContact CE1-CE2 4.32Å; F220-Y222 HydrophobicContact CE1-CG 4.29Å; F220-Y222 AromaticContact CE1-CZ 3.61Å; F220-Y222 AromaticContact CZ-CD1 3.59Å; F220-Y222 HydrophobicContact CZ-CD1 3.59Å; F220-Y222 AromaticContact CZ-CE1 3.51Å; F220-Y222 HydrophobicContact CZ-CE1 3.51Å; Y222-N224 PolarHBondContact O-N 3.23Å; Y222-G251 PolarHBondContact OH-O 2.84Å; Y222-G251 VanDerWaalsContact OH-O 3.09Å; Y222-T252 WeakPolarHBondContact CD1-O 3.48Å; Y222-N253 HydrophobicContact CD1-CB 4.38Å |
| 223 | P | 66.5 | Low | 72 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 133.9 | 176.8 | -25.4 | 34.1 | 0 | 0 | 0 | 109.6 | V212 T225 Y255 L275 | V212-P223 HydrophobicContact CB-CG 4.03Å; V212-P223 HydrophobicContact CG1-CB 4.35Å; V212-P223 HydrophobicContact CG1-CG 3.81Å; P223-T225 PolarHBondContact O-N 2.92Å; P223-Y255 PolarHBondContact O-OH 3.48Å; P223-L275 HydrophobicContact CB-CD2 4.18Å |
| 224 | N | 67.6 | Low | 72.7 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 123.6 | 164.8 | -172.7 | -9.5 | 0 | 0 | 0 | 106.4 | Y222 N226 | Y222-N224 PolarHBondContact O-N 3.23Å; N224-N226 PolarHBondContact O-N 2.71Å; N224-N226 WeakPolarHBondContact OD1-CB 3.37Å; N224-N226 PolarHBondContact OD1-N 3.31Å; N224-N226 PolarHBondContact OD1-OD1 3.43Å |
| 225 | T | 72.5 | Confident | 74 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -64.7 | -5.8 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | P223 G227 I228 F244 G247 Y255 | P223-T225 PolarHBondContact O-N 2.92Å; T225-G227 PolarHBondContact O-N 2.77Å; T225-I228 WeakPolarHBondContact O-CB 3.3Å; T225-I228 PolarHBondContact O-N 2.83Å; T225-F244 HydrophobicContact CG2-CB 4.36Å; T225-F244 PolarHBondContact OG1-O 3.24Å; T225-G247 PolarHBondContact OG1-N 2.95Å; T225-Y255 HydrophobicContact CG2-CD1 3.36Å; T225-Y255 HydrophobicContact CG2-CD2 3.9Å; T225-Y255 HydrophobicContact CG2-CE1 3.25Å; T225-Y255 HydrophobicContact CG2-CE2 3.81Å; T225-Y255 HydrophobicContact CG2-CG 3.68Å; T225-Y255 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 226 | N | 73.5 | Confident | 75.4 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 122 | -177.5 | -72.5 | 19.6 | 0 | 0 | 0 | 112.7 | N224 E245 | N224-N226 PolarHBondContact O-N 2.71Å; N224-N226 WeakPolarHBondContact OD1-CB 3.37Å; N224-N226 PolarHBondContact OD1-N 3.31Å; N224-N226 PolarHBondContact OD1-OD1 3.43Å; N226-E245 VanDerWaalsContact CA-CD 3.4Å; N226-E245 WeakPolarHBondContact CA-OE1 3.35Å; N226-E245 HydrophobicContact CB-CG 4.35Å; N226-E245 WeakPolarHBondContact CB-OE1 3.27Å; N226-E245 VanDerWaalsContact OD1-CG 3.23Å; N226-E245 WeakPolarHBondContact OD1-CG 3.19Å; N226-E245 PolarHBondContact OD1-OE2 3.25Å |
| 227 | G | 78.2 | Confident | 77.1 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 12.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T225 E245 S273 | T225-G227 PolarHBondContact O-N 2.77Å; G227-E245 PolarHBondContact N-OE1 3.41Å; G227-S273 VanDerWaalsContact O-CA 3.31Å; G227-S273 WeakPolarHBondContact O-CA 3.3Å |
| 228 | I | 86.2 | Confident | 79.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | trans | -87.4 | 118.5 | 164.9 | -57.1 | 179.8 | 0 | 0 | 0 | 108.9 | I210 V212 T225 F244 Y271 L275 | I210-I228 HydrophobicContact CD1-CG2 3.93Å; V212-I228 HydrophobicContact CG2-CD1 4Å; T225-I228 WeakPolarHBondContact O-CB 3.3Å; T225-I228 PolarHBondContact O-N 2.83Å; I228-F244 HydrophobicContact CG2-CD2 4.12Å; I228-F244 PolarHBondContact O-N 3.18Å; I228-Y271 HydrophobicContact CG2-CE2 3.76Å; I228-L275 HydrophobicContact CD1-CD2 4.11Å; I228-L275 HydrophobicContact CG1-CD2 4.43Å | ||
| 229 | E | 91.2 | Very high | 81.6 | Confident | 41 Ų | 41 | 62 Ų | 62 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.7 | -177.2 | -50.8 | -169.3 | 158.5 | 0 | 0 | 112 | T241 V242 Q243 Q272 | E229-T241 HydrophobicContact CB-CG2 4.18Å; E229-V242 WeakPolarHBondContact CA-O 3.35Å; E229-Q243 HydrophobicContact CG-CG 4.07Å; E229-Q243 PolarHBondContact OE1-NE2 2.84Å; E229-Q272 PolarHBondContact N-O 3.42Å; E229-Q272 PolarHBondContact O-N 3.38Å |
| 230 | V | 94.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.7 | 167.5 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | I190 I208 I210 F232 V242 F244 V269 I270 Y271 V283 | I190-V230 HydrophobicContact CD1-CG1 4.19Å; I190-V230 HydrophobicContact CD1-CG2 4.32Å; I208-V230 HydrophobicContact CG2-CG2 4.35Å; I210-V230 HydrophobicContact CD1-CG2 3.96Å; V230-F232 HydrophobicContact CG1-CD2 4.33Å; V230-F232 HydrophobicContact CG1-CE2 3.72Å; V230-F232 HydrophobicContact CG1-CZ 4.01Å; V230-V242 PolarHBondContact N-O 2.99Å; V230-V242 PolarHBondContact O-N 3.11Å; V230-F244 HydrophobicContact CB-CE2 4.44Å; V230-F244 HydrophobicContact CG2-CE2 4.01Å; V230-F244 HydrophobicContact CG2-CZ 4.49Å; V230-V269 HydrophobicContact CG1-CG1 3.7Å; V230-I270 CarbonylContact C-O 3.43Å; V230-I270 WeakPolarHBondContact CA-O 3.29Å; V230-Y271 HydrophobicContact CG2-CD2 4.2Å; V230-V283 HydrophobicContact CG2-CG1 4.32Å |
| 231 | T | 96.2 | Very high | 85.3 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.104 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.5 | 178.4 | -63 | 0 | 0 | 0 | 0 | 110.5 | Q239 K240 T241 V269 I270 | T231-Q239 HydrophobicContact CG2-CB 4.26Å; T231-K240 WeakPolarHBondContact CA-O 3.26Å; T231-T241 WeakPolarHBondContact OG1-CG2 2.99Å; T231-T241 PolarHBondContact OG1-OG1 2.82Å; T231-V269 WeakPolarHBondContact O-CA 3.47Å; T231-I270 PolarHBondContact N-O 3.27Å; T231-I270 PolarHBondContact O-N 2.82Å |
| 232 | F | 97.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 101.6 | 170.7 | -61.8 | -96.1 | 0 | 0 | 0 | 108.1 | L193 I208 V230 Q239 K240 V242 V259 L261 Y267 V269 | L193-F232 HydrophobicContact CD2-CD1 4.14Å; L193-F232 HydrophobicContact CD2-CE1 3.8Å; I208-F232 HydrophobicContact CD1-CE2 4.17Å; I208-F232 HydrophobicContact CD1-CZ 4.17Å; I208-F232 HydrophobicContact CG1-CE2 4.19Å; I208-F232 HydrophobicContact CG1-CZ 3.89Å; V230-F232 HydrophobicContact CG1-CD2 4.33Å; V230-F232 HydrophobicContact CG1-CE2 3.72Å; V230-F232 HydrophobicContact CG1-CZ 4.01Å; F232-Q239 CarbonylContact O-C 3.57Å; F232-Q239 VanDerWaalsContact O-CA 3.24Å; F232-Q239 WeakPolarHBondContact O-CA 3.44Å; F232-K240 HydrophobicContact CB-CB 4.38Å; F232-K240 PolarHBondContact N-O 3.25Å; F232-K240 PolarHBondContact O-N 2.94Å; F232-V242 HydrophobicContact CE2-CG2 4.17Å; F232-V259 HydrophobicContact CD2-CG1 4.27Å; F232-V259 HydrophobicContact CD2-CG2 4.46Å; F232-V259 HydrophobicContact CE2-CB 4.45Å; F232-V259 HydrophobicContact CE2-CG1 3.75Å; F232-V259 HydrophobicContact CZ-CG1 3.91Å; F232-L261 HydrophobicContact CB-CD2 3.88Å; F232-L261 HydrophobicContact CD1-CD1 3.52Å; F232-L261 HydrophobicContact CD1-CD2 4.14Å; F232-L261 HydrophobicContact CD1-CG 4.46Å; F232-L261 HydrophobicContact CD2-CD2 4.41Å; F232-L261 HydrophobicContact CE1-CD1 3.79Å; F232-L261 HydrophobicContact CG-CD1 4.15Å; F232-L261 HydrophobicContact CG-CD2 3.89Å; F232-Y267 HydrophobicContact CB-CD1 3.83Å; F232-Y267 HydrophobicContact CB-CG 4.12Å; F232-V269 HydrophobicContact CD1-CG1 4.2Å; F232-V269 HydrophobicContact CD1-CG2 3.79Å; F232-V269 HydrophobicContact CE1-CG1 3.98Å; F232-V269 HydrophobicContact CE1-CG2 3.94Å; F232-V269 HydrophobicContact CZ-CG1 4.34Å |
| 233 | Y | 96.5 | Very high | 87.4 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.7 | -173.5 | -174.8 | -90.6 | 0 | 0 | 0 | 111.2 | Q236 Q239 Q268 | Y233-Q236 PolarHBondContact OH-N 3.24Å; Y233-Q239 HydrophobicContact CD2-CB 4.07Å; Y233-Q268 PolarHBondContact N-O 3.16Å; Y233-Q268 PolarHBondContact O-N 2.77Å |
| 234 | Q | 93.7 | Very high | 88.4 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -40.5 | 170.4 | -179.1 | -178.6 | 36.3 | 0 | 0 | 111 | N238 S265 Y267 | Q234-N238 HydrophobicContact CB-CB 4.25Å; Q234-N238 WeakPolarHBondContact CB-O 3.28Å; Q234-N238 PolarHBondContact N-O 2.94Å; Q234-S265 PolarHBondContact NE2-OG 2.58Å; Q234-Y267 HydrophobicContact CB-CD1 3.7Å; Q234-Y267 HydrophobicContact CB-CE1 3.65Å |
| 235 | S | 90.6 | Very high | 88.7 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 169.7 | 173.2 | 61.1 | 0 | 0 | 0 | 0 | 108.5 | A237 N238 | S235-A237 PolarHBondContact O-N 3.12Å; S235-A237 VanDerWaalsContact O-N 3.14Å; S235-N238 PolarHBondContact N-O 3.19Å; S235-N238 CarbonylContact O-C 3.53Å; S235-N238 PolarHBondContact O-N 3.03Å; S235-N238 VanDerWaalsContact O-O 3.1Å; S235-N238 WeakPolarHBondContact OG-CB 3.3Å; S235-N238 PolarHBondContact OG-N 3.28Å; S235-N238 PolarHBondContact OG-ND2 3.11Å |
| 236 | Q | 84.8 | Confident | 88.1 | Confident | 172 Ų | 172 | 63 Ų | 63 | 80% | 0.804 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.3 | 179.9 | -162.6 | 171.5 | 13.5 | 0 | 0 | 113.2 | Y233 | Y233-Q236 PolarHBondContact OH-N 3.24Š|
| 237 | A | 87 | Confident | 87.5 | Confident | 90 Ų | 90 | 60 Ų | 60 | 74% | 0.744 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -20.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S235 | S235-A237 PolarHBondContact O-N 3.12Å; S235-A237 VanDerWaalsContact O-N 3.14Å |
| 238 | N | 89 | Confident | 87 | Confident | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 79.4 | -176.9 | -65.1 | -53.8 | 0 | 0 | 0 | 109.7 | Q234 S235 | Q234-N238 HydrophobicContact CB-CB 4.25Å; Q234-N238 WeakPolarHBondContact CB-O 3.28Å; Q234-N238 PolarHBondContact N-O 2.94Å; S235-N238 PolarHBondContact N-O 3.19Å; S235-N238 CarbonylContact O-C 3.53Å; S235-N238 PolarHBondContact O-N 3.03Å; S235-N238 VanDerWaalsContact O-O 3.1Å; S235-N238 WeakPolarHBondContact OG-CB 3.3Å; S235-N238 PolarHBondContact OG-N 3.28Å; S235-N238 PolarHBondContact OG-ND2 3.11Å |
| 239 | Q | 94.4 | Very high | 86.8 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.6 | 168.4 | 69.2 | 178.6 | 22.1 | 0 | 0 | 110.7 | T231 F232 Y233 | T231-Q239 HydrophobicContact CG2-CB 4.26Å; F232-Q239 CarbonylContact O-C 3.57Å; F232-Q239 VanDerWaalsContact O-CA 3.24Å; F232-Q239 WeakPolarHBondContact O-CA 3.44Å; Y233-Q239 HydrophobicContact CD2-CB 4.07Å |
| 240 | K | 96.1 | Very high | 86.4 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.1 | 172.2 | -66.2 | -67.2 | -172.6 | 176.9 | 0 | 108.3 | T231 F232 V259 L261 | T231-K240 WeakPolarHBondContact CA-O 3.26Å; F232-K240 HydrophobicContact CB-CB 4.38Å; F232-K240 PolarHBondContact N-O 3.25Å; F232-K240 PolarHBondContact O-N 2.94Å; K240-V259 HydrophobicContact CB-CG2 3.99Å; K240-V259 HydrophobicContact CG-CG2 4.47Å; K240-L261 HydrophobicContact CB-CD2 4.4Å; K240-L261 HydrophobicContact CG-CD2 4.38Å |
| 241 | T | 94.5 | Very high | 86 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.2 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | E229 T231 | E229-T241 HydrophobicContact CB-CG2 4.18Å; T231-T241 WeakPolarHBondContact OG1-CG2 2.99Å; T231-T241 PolarHBondContact OG1-OG1 2.82Å |
| 242 | V | 94.3 | Very high | 85.7 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.8 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | I208 E229 V230 F232 F244 A257 V259 | I208-V242 HydrophobicContact CD1-CG1 4.48Å; I208-V242 HydrophobicContact CD1-CG2 4.25Å; E229-V242 WeakPolarHBondContact CA-O 3.35Å; V230-V242 PolarHBondContact N-O 2.99Å; V230-V242 PolarHBondContact O-N 3.11Å; F232-V242 HydrophobicContact CE2-CG2 4.17Å; V242-F244 HydrophobicContact CG1-CE2 4.31Å; V242-F244 HydrophobicContact CG1-CZ 4.42Å; V242-A257 HydrophobicContact CG1-CB 3.27Å; V242-V259 HydrophobicContact CG2-CB 3.79Å; V242-V259 HydrophobicContact CG2-CG2 3.98Å |
| 243 | Q | 90.2 | Very high | 85.3 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.8 | 173.4 | -62.9 | -176.8 | -26.7 | 0 | 0 | 109.2 | E229 | E229-Q243 HydrophobicContact CG-CG 4.07Å; E229-Q243 PolarHBondContact OE1-NE2 2.84Å |
| 244 | F | 87 | Confident | 85.1 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.022 | 35% | 0.35 | C | S | . | . | trans | -99.8 | 14.4 | -179.5 | -69.1 | -96.7 | 0 | 0 | 0 | 112.9 | I208 I210 T225 I228 V230 V242 P246 G247 A257 | I208-F244 HydrophobicContact CB-CZ 3.95Å; I208-F244 HydrophobicContact CG2-CE1 4.45Å; I208-F244 HydrophobicContact CG2-CZ 3.69Å; I210-F244 HydrophobicContact CD1-CD1 4.38Å; I210-F244 HydrophobicContact CD1-CD2 3.85Å; I210-F244 HydrophobicContact CD1-CE1 3.88Å; I210-F244 HydrophobicContact CD1-CE2 3.31Å; I210-F244 HydrophobicContact CD1-CG 4.37Å; I210-F244 HydrophobicContact CD1-CZ 3.32Å; I210-F244 HydrophobicContact CG1-CE1 3.94Å; I210-F244 HydrophobicContact CG1-CE2 4.24Å; I210-F244 HydrophobicContact CG1-CZ 3.74Å; T225-F244 HydrophobicContact CG2-CB 4.36Å; T225-F244 PolarHBondContact OG1-O 3.24Å; I228-F244 HydrophobicContact CG2-CD2 4.12Å; I228-F244 PolarHBondContact O-N 3.18Å; V230-F244 HydrophobicContact CB-CE2 4.44Å; V230-F244 HydrophobicContact CG2-CE2 4.01Å; V230-F244 HydrophobicContact CG2-CZ 4.49Å; V242-F244 HydrophobicContact CG1-CE2 4.31Å; V242-F244 HydrophobicContact CG1-CZ 4.42Å; F244-P246 CarbonylContact O-C 3.52Å; F244-G247 VanDerWaalsContact O-CA 3.28Å; F244-G247 WeakPolarHBondContact O-CA 3.44Å; F244-G247 PolarHBondContact O-N 3.4Å; F244-A257 HydrophobicContact CD1-CB 4.08Å; F244-A257 HydrophobicContact CE1-CB 3.7Å; F244-A257 HydrophobicContact CZ-CB 4.04Å | ||
| 245 | E | 73.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | trans | -94.8 | 141 | -178.9 | -60.5 | -178.1 | -148.3 | 0 | 0 | 113 | N226 G227 | N226-E245 VanDerWaalsContact CA-CD 3.4Å; N226-E245 WeakPolarHBondContact CA-OE1 3.35Å; N226-E245 HydrophobicContact CB-CG 4.35Å; N226-E245 WeakPolarHBondContact CB-OE1 3.27Å; N226-E245 VanDerWaalsContact OD1-CG 3.23Å; N226-E245 WeakPolarHBondContact OD1-CG 3.19Å; N226-E245 PolarHBondContact OD1-OE2 3.25Å; G227-E245 PolarHBondContact N-OE1 3.41Å | ||
| 246 | P | 60 | Low | 85 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 79% | 0.786 | 33% | 0.334 | S | S | * | . | S | Bend | cis | -75 | 138.5 | -18.8 | 31.2 | -30.3 | 0 | 0 | 0 | 109.6 | F244 S248 | F244-P246 CarbonylContact O-C 3.52Å; P246-S248 PolarHBondContact O-N 3.46Å |
| 247 | G | 61.2 | Low | 85.4 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | trans | -32.8 | 120.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116 | T225 F244 L249 | T225-G247 PolarHBondContact OG1-N 2.95Å; F244-G247 VanDerWaalsContact O-CA 3.28Å; F244-G247 WeakPolarHBondContact O-CA 3.44Å; F244-G247 PolarHBondContact O-N 3.4Å; G247-L249 PolarHBondContact O-N 2.53Å; G247-L249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | S | 68.9 | Low | 85.8 | Confident | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -55.8 | -26.4 | -175.8 | 58.2 | 0 | 0 | 0 | 0 | 116 | P246 Y255 Y256 | P246-S248 PolarHBondContact O-N 3.46Å; S248-Y255 WeakPolarHBondContact OG-CA 3.15Å; S248-Y256 VanDerWaalsContact CB-O 3.31Å; S248-Y256 WeakPolarHBondContact CB-O 3.48Å; S248-Y256 VanDerWaalsContact OG-CD1 3.27Å; S248-Y256 WeakPolarHBondContact OG-CD1 3.37Å; S248-Y256 PolarHBondContact OG-N 2.92Å; S248-Y256 PolarHBondContact OG-O 3.08Å |
| 249 | L | 81.1 | Confident | 86.1 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -133.1 | 101.4 | 173.3 | -66.1 | 179.8 | 0 | 0 | 0 | 110.7 | Q159 V160 G247 T252 F254 Y256 | Q159-L249 HydrophobicContact CB-CD2 4.01Å; V160-L249 HydrophobicContact CG2-CD1 3.77Å; G247-L249 PolarHBondContact O-N 2.53Å; G247-L249 VanDerWaalsContact O-N 3.12Å; L249-T252 PolarHBondContact O-OG1 3.49Å; L249-T252 VanDerWaalsContact O-OG1 3.06Å; L249-F254 HydrophobicContact CD1-CD1 3.99Å; L249-F254 HydrophobicContact CD1-CE1 4.49Å; L249-Y256 HydrophobicContact CD1-CD1 4.45Å; L249-Y256 HydrophobicContact CD1-CE1 4.45Å; L249-Y256 HydrophobicContact CD2-CE1 4.21Å; L249-Y256 HydrophobicContact CG-CD1 4.26Å; L249-Y256 HydrophobicContact CG-CE1 3.96Å |
| 250 | Q | 83.8 | Confident | 86.3 | Confident | 170 Ų | 170 | 51.9 Ų | 51.9 | 79% | 0.794 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 147.9 | 177.5 | -66.1 | -173.2 | -8.9 | 0 | 0 | 112.3 | T252 | Q250-T252 VanDerWaalsContact C-N 3.3Š|
| 251 | G | 86.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 24.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G151 D152 Y222 | G151-G251 CarbonylContact C-O 3.58Å; G151-G251 WeakPolarHBondContact CA-O 3.35Å; D152-G251 PolarHBondContact N-O 2.9Å; D152-G251 WeakPolarHBondContact OD2-CA 3.38Å; Y222-G251 PolarHBondContact OH-O 2.84Å; Y222-G251 VanDerWaalsContact OH-O 3.09Å |
| 252 | T | 89.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -144.2 | 161.5 | 176.1 | 80.9 | 0 | 0 | 0 | 0 | 110.8 | L150 P156 V160 Y222 L249 Q250 F254 | L150-T252 CarbonylContact O-C 3.35Å; L150-T252 WeakPolarHBondContact O-CA 3.39Å; P156-T252 HydrophobicContact CB-CG2 3.6Å; V160-T252 HydrophobicContact CG2-CG2 3.72Å; Y222-T252 WeakPolarHBondContact CD1-O 3.48Å; L249-T252 PolarHBondContact O-OG1 3.49Å; L249-T252 VanDerWaalsContact O-OG1 3.06Å; Q250-T252 VanDerWaalsContact C-N 3.3Å; T252-F254 VanDerWaalsContact C-N 3.3Å; T252-F254 PolarHBondContact OG1-N 2.67Å; T252-F254 PolarHBondContact OG1-O 2.91Å; T252-F254 VanDerWaalsContact OG1-O 3.09Å |
| 253 | N | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -91.6 | 11.2 | 170 | 79.9 | -33.3 | 0 | 0 | 0 | 113.2 | F148 V149 L150 S211 V212 Y222 Y255 | F148-N253 PolarHBondContact O-ND2 2.95Å; V149-N253 WeakPolarHBondContact CA-OD1 3.34Å; L150-N253 PolarHBondContact N-OD1 2.65Å; L150-N253 PolarHBondContact O-N 2.87Å; L150-N253 PolarHBondContact O-OD1 2.74Å; L150-N253 VanDerWaalsContact O-OD1 3.12Å; S211-N253 VanDerWaalsContact CA-O 3.28Å; S211-N253 WeakPolarHBondContact CA-O 3.08Å; V212-N253 PolarHBondContact N-O 2.95Å; V212-N253 WeakPolarHBondContact O-CB 3.36Å; V212-N253 PolarHBondContact O-ND2 3.07Å; Y222-N253 HydrophobicContact CD1-CB 4.38Å; N253-Y255 VanDerWaalsContact O-CE2 3.32Å; N253-Y255 WeakPolarHBondContact O-CE2 3.39Å |
| 254 | F | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.2 | -175.7 | -178.9 | -86.1 | 0 | 0 | 0 | 109.8 | H147 V149 V160 Y163 L164 T209 I210 L249 T252 | H147-F254 HydrophobicContact CB-CD2 4.29Å; H147-F254 HydrophobicContact CB-CE2 4.34Å; H147-F254 AromaticContact CD2-CE2 3.59Å; H147-F254 AromaticContact CG-CE2 3.84Å; H147-F254 AromaticContact NE2-CE2 3.88Å; V149-F254 HydrophobicContact CG1-CB 4.15Å; V149-F254 HydrophobicContact CG2-CB 4.31Å; V149-F254 HydrophobicContact CG2-CD2 3.99Å; V149-F254 HydrophobicContact CG2-CG 4.45Å; V160-F254 HydrophobicContact CG1-CB 4.37Å; V160-F254 HydrophobicContact CG1-CD1 4.32Å; V160-F254 HydrophobicContact CG1-CG 4.17Å; V160-F254 HydrophobicContact CG2-CB 4.17Å; V160-F254 HydrophobicContact CG2-CD1 4.36Å; V160-F254 HydrophobicContact CG2-CG 4.49Å; Y163-F254 AromaticContact CD1-CE1 3.71Å; Y163-F254 HydrophobicContact CD1-CE1 3.71Å; Y163-F254 AromaticContact CD1-CZ 3.94Å; Y163-F254 HydrophobicContact CD1-CZ 3.94Å; Y163-F254 HydrophobicContact CE1-CE1 4.23Å; Y163-F254 HydrophobicContact CE1-CZ 4.38Å; Y163-F254 HydrophobicContact CG-CE1 4.34Å; L164-F254 HydrophobicContact CD2-CE2 3.83Å; L164-F254 HydrophobicContact CD2-CZ 3.91Å; T209-F254 HydrophobicContact CG2-CE1 4.37Å; T209-F254 HydrophobicContact CG2-CE2 4.4Å; T209-F254 HydrophobicContact CG2-CZ 3.66Å; I210-F254 CarbonylContact O-C 3.5Å; I210-F254 WeakPolarHBondContact O-CA 3.33Å; L249-F254 HydrophobicContact CD1-CD1 3.99Å; L249-F254 HydrophobicContact CD1-CE1 4.49Å; T252-F254 VanDerWaalsContact C-N 3.3Å; T252-F254 PolarHBondContact OG1-N 2.67Å; T252-F254 PolarHBondContact OG1-O 2.91Å; T252-F254 VanDerWaalsContact OG1-O 3.09Å |
| 255 | Y | 90.7 | Very high | 86.9 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151 | -175.8 | -41.5 | -72.8 | 0 | 0 | 0 | 109.8 | T209 I210 V212 P223 T225 S248 N253 | T209-Y255 CarbonylContact C-O 3.54Å; T209-Y255 WeakPolarHBondContact CA-O 3.32Å; I210-Y255 PolarHBondContact N-O 2.65Å; I210-Y255 PolarHBondContact O-N 2.59Å; V212-Y255 HydrophobicContact CG2-CE2 4.42Å; P223-Y255 PolarHBondContact O-OH 3.48Å; T225-Y255 HydrophobicContact CG2-CD1 3.36Å; T225-Y255 HydrophobicContact CG2-CD2 3.9Å; T225-Y255 HydrophobicContact CG2-CE1 3.25Å; T225-Y255 HydrophobicContact CG2-CE2 3.81Å; T225-Y255 HydrophobicContact CG2-CG 3.68Å; T225-Y255 VanDerWaalsContact CG2-CZ 3.48Å; S248-Y255 WeakPolarHBondContact OG-CA 3.15Å; N253-Y255 VanDerWaalsContact O-CE2 3.32Å; N253-Y255 WeakPolarHBondContact O-CE2 3.39Å |
| 256 | Y | 92.6 | Very high | 87.9 | Confident | 78 Ų | 78 | 47 Ų | 47 | 31% | 0.306 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.3 | 174 | 74.1 | -88.5 | 0 | 0 | 0 | 111.3 | Y163 I208 S248 L249 | Y163-Y256 HydrophobicContact CD2-CD1 4.05Å; Y163-Y256 HydrophobicContact CD2-CE1 4.04Å; Y163-Y256 HydrophobicContact CD2-CG 4.37Å; Y163-Y256 HydrophobicContact CE1-CD1 4.32Å; Y163-Y256 HydrophobicContact CE1-CD2 4.46Å; Y163-Y256 AromaticContact CE1-CG 3.94Å; Y163-Y256 HydrophobicContact CE1-CG 3.94Å; Y163-Y256 AromaticContact CE2-CD1 3.65Å; Y163-Y256 HydrophobicContact CE2-CD1 3.65Å; Y163-Y256 AromaticContact CE2-CD2 3.55Å; Y163-Y256 HydrophobicContact CE2-CD2 3.55Å; Y163-Y256 AromaticContact CE2-CE1 3.75Å; Y163-Y256 HydrophobicContact CE2-CE1 3.75Å; Y163-Y256 AromaticContact CE2-CE2 3.65Å; Y163-Y256 HydrophobicContact CE2-CE2 3.65Å; Y163-Y256 AromaticContact CE2-CG 3.55Å; Y163-Y256 HydrophobicContact CE2-CG 3.55Å; Y163-Y256 AromaticContact CE2-CZ 3.75Å; Y163-Y256 AromaticContact CZ-CD1 3.81Å; Y163-Y256 AromaticContact CZ-CD2 3.43Å; Y163-Y256 VanDerWaalsContact CZ-CD2 3.43Å; Y163-Y256 AromaticContact CZ-CG 3.3Å; Y163-Y256 WeakPolarHBondContact OH-CB 3Å; Y163-Y256 WeakPolarHBondContact OH-CD2 2.97Å; Y163-Y256 VanDerWaalsContact OH-CG 3.25Å; I208-Y256 CarbonylContact O-C 3.57Å; I208-Y256 WeakPolarHBondContact O-CA 3.41Å; S248-Y256 VanDerWaalsContact CB-O 3.31Å; S248-Y256 WeakPolarHBondContact CB-O 3.48Å; S248-Y256 VanDerWaalsContact OG-CD1 3.27Å; S248-Y256 WeakPolarHBondContact OG-CD1 3.37Å; S248-Y256 PolarHBondContact OG-N 2.92Å; S248-Y256 PolarHBondContact OG-O 3.08Å; L249-Y256 HydrophobicContact CD1-CD1 4.45Å; L249-Y256 HydrophobicContact CD1-CE1 4.45Å; L249-Y256 HydrophobicContact CD2-CE1 4.21Å; L249-Y256 HydrophobicContact CG-CD1 4.26Å; L249-Y256 HydrophobicContact CG-CE1 3.96Å |
| 257 | A | 93.6 | Very high | 89.7 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 167.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T207 I208 V242 F244 | T207-A257 CarbonylContact C-O 3.52Å; T207-A257 WeakPolarHBondContact CA-O 3.46Å; I208-A257 PolarHBondContact N-O 3Å; I208-A257 PolarHBondContact O-N 2.86Å; V242-A257 HydrophobicContact CG1-CB 3.27Å; F244-A257 HydrophobicContact CD1-CB 4.08Å; F244-A257 HydrophobicContact CE1-CB 3.7Å; F244-A257 HydrophobicContact CZ-CB 4.04Å |
| 258 | T | 94.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 60% | 0.601 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | F206 | F206-T258 CarbonylContact O-C 3.55Å; F206-T258 WeakPolarHBondContact O-CA 3.12Å |
| 259 | V | 96.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.8 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | F206 I208 F232 K240 V242 L261 | F206-V259 HydrophobicContact CB-CG1 3.88Å; F206-V259 PolarHBondContact N-O 3.32Å; F206-V259 PolarHBondContact O-N 3.34Å; I208-V259 HydrophobicContact CD1-CB 4.12Å; I208-V259 HydrophobicContact CD1-CG1 3.66Å; F232-V259 HydrophobicContact CD2-CG1 4.27Å; F232-V259 HydrophobicContact CD2-CG2 4.46Å; F232-V259 HydrophobicContact CE2-CB 4.45Å; F232-V259 HydrophobicContact CE2-CG1 3.75Å; F232-V259 HydrophobicContact CZ-CG1 3.91Å; K240-V259 HydrophobicContact CB-CG2 3.99Å; K240-V259 HydrophobicContact CG-CG2 4.47Å; V242-V259 HydrophobicContact CG2-CB 3.79Å; V242-V259 HydrophobicContact CG2-CG2 3.98Å; V259-L261 HydrophobicContact CG1-CD1 4.39Å; V259-L261 HydrophobicContact CG1-CD2 4.21Å; V259-L261 HydrophobicContact CG1-CG 4.06Å; V259-L261 HydrophobicContact CG2-CD2 3.89Å; V259-L261 HydrophobicContact CG2-CG 4.47Å |
| 260 | Q | 97 | Very high | 93.3 | Very high | 109 Ų | 109 | 41.8 Ų | 41.8 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.3 | 169.1 | -77.3 | -176.2 | -16.1 | 0 | 0 | 109.5 | N205 | N205-Q260 WeakPolarHBondContact OD1-CG 3.4Å; N205-Q260 PolarHBondContact OD1-NE2 2.59Å |
| 261 | L | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.6 | 178.3 | -56.8 | 178 | 0 | 0 | 0 | 109.6 | L193 V195 Y203 V204 F206 F232 K240 V259 E263 Y267 | L193-L261 HydrophobicContact CD2-CD1 3.58Å; V195-L261 HydrophobicContact CG2-CB 3.67Å; V195-L261 HydrophobicContact CG2-CD1 4.07Å; Y203-L261 CarbonylContact C-O 3.6Å; Y203-L261 VanDerWaalsContact CA-O 3.26Å; Y203-L261 WeakPolarHBondContact CA-O 3.26Å; V204-L261 PolarHBondContact N-O 2.94Å; V204-L261 PolarHBondContact O-N 3.39Å; F206-L261 HydrophobicContact CD2-CB 4.08Å; F206-L261 HydrophobicContact CD2-CD1 3.7Å; F206-L261 HydrophobicContact CD2-CG 3.89Å; F206-L261 HydrophobicContact CE2-CB 3.92Å; F206-L261 HydrophobicContact CE2-CD1 3.83Å; F206-L261 HydrophobicContact CE2-CG 4.15Å; F206-L261 HydrophobicContact CG-CD1 4.3Å; F206-L261 HydrophobicContact CZ-CD1 4.48Å; F232-L261 HydrophobicContact CB-CD2 3.88Å; F232-L261 HydrophobicContact CD1-CD1 3.52Å; F232-L261 HydrophobicContact CD1-CD2 4.14Å; F232-L261 HydrophobicContact CD1-CG 4.46Å; F232-L261 HydrophobicContact CD2-CD2 4.41Å; F232-L261 HydrophobicContact CE1-CD1 3.79Å; F232-L261 HydrophobicContact CG-CD1 4.15Å; F232-L261 HydrophobicContact CG-CD2 3.89Å; K240-L261 HydrophobicContact CB-CD2 4.4Å; K240-L261 HydrophobicContact CG-CD2 4.38Å; V259-L261 HydrophobicContact CG1-CD1 4.39Å; V259-L261 HydrophobicContact CG1-CD2 4.21Å; V259-L261 HydrophobicContact CG1-CG 4.06Å; V259-L261 HydrophobicContact CG2-CD2 3.89Å; V259-L261 HydrophobicContact CG2-CG 4.47Å; L261-E263 PolarHBondContact O-N 3.05Å; L261-Y267 HydrophobicContact CB-CD2 4.42Å; L261-Y267 HydrophobicContact CB-CE2 3.81Å; L261-Y267 HydrophobicContact CD1-CD2 4.19Å; L261-Y267 HydrophobicContact CD1-CE2 4.39Å; L261-Y267 HydrophobicContact CD2-CD2 4.49Å; L261-Y267 HydrophobicContact CD2-CE1 4.34Å; L261-Y267 HydrophobicContact CD2-CE2 4.21Å; L261-Y267 HydrophobicContact CG-CE2 4.36Å |
| 262 | K | 96.2 | Very high | 93.8 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 48% | 0.483 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.2 | -179.1 | -174 | 179.1 | 178.9 | -178.2 | 0 | 109.1 | V195 Y203 S265 Y267 | V195-K262 WeakPolarHBondContact CB-O 3.46Å; V195-K262 WeakPolarHBondContact CG1-O 3.06Å; Y203-K262 HydrophobicContact CD1-CB 4.27Å; Y203-K262 HydrophobicContact CE1-CB 4.07Å; K262-S265 VanDerWaalsContact O-CB 3.3Å; K262-S265 WeakPolarHBondContact O-CB 3.41Å; K262-S265 PolarHBondContact O-N 2.89Å; K262-S265 PolarHBondContact O-OG 2.81Å; K262-Y267 PolarHBondContact N-OH 3.47Å |
| 263 | E | 94.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 151.7 | 176.8 | 66.2 | 115.9 | 177.9 | 0 | 0 | 111.8 | H197 S198 Q201 S202 V204 L261 S265 | H197-E263 WeakPolarHBondContact CA-OE2 3.5Å; H197-E263 IonicContact CE1-OE2 3.14Å; H197-E263 PolarHBondContact CE1-OE2 3.12Å; H197-E263 IonicContact CG-OE2 3.65Å; H197-E263 IonicContact ND1-OE1 3.11Å; H197-E263 IonicContact ND1-OE2 3.52Å; H197-E263 PolarHBondContact ND1-OE2 3.43Å; S198-E263 PolarHBondContact N-OE2 3.25Å; Q201-E263 WeakPolarHBondContact O-CG 3.31Å; S202-E263 WeakPolarHBondContact O-CG 3.46Å; S202-E263 PolarHBondContact O-N 3.33Å; S202-E263 VanDerWaalsContact O-N 3.14Å; V204-E263 HydrophobicContact CG2-CB 4.14Å; L261-E263 PolarHBondContact O-N 3.05Å; E263-S265 PolarHBondContact O-N 2.76Å; E263-S265 PolarHBondContact O-OG 2.99Å |
| 264 | S | 92.6 | Very high | 93 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 8.3 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 116.5 | V195 P196 H197 | V195-S264 WeakPolarHBondContact O-CA 3.46Å; V195-S264 PolarHBondContact O-N 2.98Å; P196-S264 PolarHBondContact O-N 3.26Å; H197-S264 PolarHBondContact ND1-OG 3.22Å |
| 265 | S | 95.2 | Very high | 92.1 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -94.5 | 150.4 | 179.3 | -63 | 0 | 0 | 0 | 0 | 111.8 | V195 Q234 K262 E263 | V195-S265 WeakPolarHBondContact CG2-O 3.3Å; V195-S265 PolarHBondContact N-O 3.38Å; Q234-S265 PolarHBondContact NE2-OG 2.58Å; K262-S265 VanDerWaalsContact O-CB 3.3Å; K262-S265 WeakPolarHBondContact O-CB 3.41Å; K262-S265 PolarHBondContact O-N 2.89Å; K262-S265 PolarHBondContact O-OG 2.81Å; E263-S265 PolarHBondContact O-N 2.76Å; E263-S265 PolarHBondContact O-OG 2.99Å | ||
| 266 | T | 95.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.6 | 174.2 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | L193 | L193-T266 CarbonylContact O-C 3.51Å; L193-T266 WeakPolarHBondContact O-CA 3.44Å |
| 267 | Y | 96.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.2 | 177.3 | -64.4 | -91.9 | 0 | 0 | 0 | 110.4 | K192 L193 V195 F232 Q234 L261 K262 | K192-Y267 WeakPolarHBondContact CA-O 3.46Å; L193-Y267 PolarHBondContact N-O 3.32Å; L193-Y267 PolarHBondContact O-N 2.85Å; V195-Y267 HydrophobicContact CG2-CD2 3.88Å; V195-Y267 HydrophobicContact CG2-CE2 3.81Å; F232-Y267 HydrophobicContact CB-CD1 3.83Å; F232-Y267 HydrophobicContact CB-CG 4.12Å; Q234-Y267 HydrophobicContact CB-CD1 3.7Å; Q234-Y267 HydrophobicContact CB-CE1 3.65Å; L261-Y267 HydrophobicContact CB-CD2 4.42Å; L261-Y267 HydrophobicContact CB-CE2 3.81Å; L261-Y267 HydrophobicContact CD1-CD2 4.19Å; L261-Y267 HydrophobicContact CD1-CE2 4.39Å; L261-Y267 HydrophobicContact CD2-CD2 4.49Å; L261-Y267 HydrophobicContact CD2-CE1 4.34Å; L261-Y267 HydrophobicContact CD2-CE2 4.21Å; L261-Y267 HydrophobicContact CG-CE2 4.36Å; K262-Y267 PolarHBondContact N-OH 3.47Å |
| 268 | Q | 96 | Very high | 89.4 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.7 | 160.1 | -175.2 | 58.4 | 56.8 | 0 | 0 | 108 | G191 Y233 I270 | G191-Q268 PolarHBondContact O-NE2 3.49Å; Y233-Q268 PolarHBondContact N-O 3.16Å; Y233-Q268 PolarHBondContact O-N 2.77Å; Q268-I270 HydrophobicContact CG-CD1 4.47Å; Q268-I270 HydrophobicContact CG-CG1 4.26Å |
| 269 | V | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.1 | -178.6 | -166.8 | 0 | 0 | 0 | 0 | 108.9 | I175 I190 G191 L193 V230 T231 F232 | I175-V269 HydrophobicContact CD1-CG2 4.39Å; I190-V269 HydrophobicContact CB-CB 4.03Å; I190-V269 HydrophobicContact CB-CG1 4Å; I190-V269 HydrophobicContact CD1-CG1 3.79Å; I190-V269 HydrophobicContact CG1-CG1 4.43Å; I190-V269 HydrophobicContact CG2-CB 4.36Å; I190-V269 HydrophobicContact CG2-CG1 4.28Å; I190-V269 PolarHBondContact N-O 2.98Å; G191-V269 PolarHBondContact N-O 2.88Å; G191-V269 PolarHBondContact O-N 3.12Å; L193-V269 HydrophobicContact CB-CG2 3.69Å; V230-V269 HydrophobicContact CG1-CG1 3.7Å; T231-V269 WeakPolarHBondContact O-CA 3.47Å; F232-V269 HydrophobicContact CD1-CG1 4.2Å; F232-V269 HydrophobicContact CD1-CG2 3.79Å; F232-V269 HydrophobicContact CE1-CG1 3.98Å; F232-V269 HydrophobicContact CE1-CG2 3.94Å; F232-V269 HydrophobicContact CZ-CG1 4.34Å |
| 270 | I | 93.9 | Very high | 88.4 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.9 | -175.7 | -61.2 | 166 | 0 | 0 | 0 | 108.3 | Q187 K188 V230 T231 Q268 | Q187-I270 HydrophobicContact CB-CG2 4.05Å; Q187-I270 HydrophobicContact CG-CG2 4.33Å; K188-I270 CarbonylContact O-C 3.57Å; K188-I270 WeakPolarHBondContact O-CA 3.36Å; V230-I270 CarbonylContact C-O 3.43Å; V230-I270 WeakPolarHBondContact CA-O 3.29Å; T231-I270 PolarHBondContact N-O 3.27Å; T231-I270 PolarHBondContact O-N 2.82Å; Q268-I270 HydrophobicContact CG-CD1 4.47Å; Q268-I270 HydrophobicContact CG-CG1 4.26Å |
| 271 | Y | 91.8 | Very high | 88 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.9 | 170 | 175 | -103.6 | 0 | 0 | 0 | 109.1 | F179 K188 I210 I228 V230 S273 L275 A281 V283 | F179-Y271 HydrophobicContact CD2-CD1 4.02Å; F179-Y271 HydrophobicContact CD2-CE1 4.45Å; F179-Y271 HydrophobicContact CD2-CG 4.37Å; F179-Y271 HydrophobicContact CE2-CD1 4.04Å; F179-Y271 AromaticContact CE2-CG 4Å; F179-Y271 HydrophobicContact CE2-CG 4Å; K188-Y271 HydrophobicContact CB-CD1 4.44Å; K188-Y271 PolarHBondContact N-O 3.38Å; K188-Y271 PolarHBondContact O-N 3.28Å; I210-Y271 HydrophobicContact CD1-CE2 4.26Å; I228-Y271 HydrophobicContact CG2-CE2 3.76Å; V230-Y271 HydrophobicContact CG2-CD2 4.2Å; Y271-S273 WeakPolarHBondContact CE1-OG 3.25Å; Y271-S273 VanDerWaalsContact CZ-CB 3.48Å; Y271-S273 WeakPolarHBondContact OH-CB 3.39Å; Y271-S273 PolarHBondContact OH-OG 3.07Å; Y271-L275 WeakPolarHBondContact OH-CD1 3.28Å; Y271-A281 HydrophobicContact CE1-CB 4.17Å; Y271-V283 HydrophobicContact CD2-CG2 3.78Å; Y271-V283 HydrophobicContact CE2-CG2 4.03Å; Y271-V283 HydrophobicContact CG-CG2 4.41Å |
| 272 | Q | 89.6 | Confident | 87.8 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.1 | 172.3 | -176.8 | 169.7 | -22.4 | 0 | 0 | 108.7 | Q187 E229 | Q187-Q272 HydrophobicContact CG-CB 4.36Å; Q187-Q272 HydrophobicContact CG-CG 4.23Å; E229-Q272 PolarHBondContact N-O 3.42Å; E229-Q272 PolarHBondContact O-N 3.38Å |
| 273 | S | 83.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -150.2 | 145.7 | 173.1 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | D181 A185 G227 Y271 L275 | D181-S273 PolarHBondContact OD2-OG 2.65Å; A185-S273 WeakPolarHBondContact CA-O 3.36Å; G227-S273 VanDerWaalsContact O-CA 3.31Å; G227-S273 WeakPolarHBondContact O-CA 3.3Å; Y271-S273 WeakPolarHBondContact CE1-OG 3.25Å; Y271-S273 VanDerWaalsContact CZ-CB 3.48Å; Y271-S273 WeakPolarHBondContact OH-CB 3.39Å; Y271-S273 PolarHBondContact OH-OG 3.07Å; S273-L275 PolarHBondContact O-N 3.45Å; S273-L275 WeakPolarHBondContact OG-CG 3.43Å | ||
| 274 | S | 77.7 | Confident | 87.9 | Confident | 86 Ų | 86 | 28.9 Ų | 28.9 | 60% | 0.601 | 17% | 0.169 | S | C | * | . | trans | -92.8 | 34.9 | 168.6 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 275 | L | 73.8 | Confident | 88.1 | Confident | 11 Ų | 11 | 26.1 Ų | 26.1 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | trans | -68.6 | 156.8 | 178.8 | -70.1 | 176.2 | 0 | 0 | 0 | 111.1 | N184 V212 P223 I228 Y271 S273 A281 | N184-L275 PolarHBondContact OD1-O 2.88Å; V212-L275 HydrophobicContact CB-CD1 4.41Å; V212-L275 HydrophobicContact CG1-CD1 3.53Å; V212-L275 HydrophobicContact CG1-CD2 3.85Å; V212-L275 HydrophobicContact CG1-CG 4.32Å; V212-L275 HydrophobicContact CG2-CD1 3.93Å; P223-L275 HydrophobicContact CB-CD2 4.18Å; I228-L275 HydrophobicContact CD1-CD2 4.11Å; I228-L275 HydrophobicContact CG1-CD2 4.43Å; Y271-L275 WeakPolarHBondContact OH-CD1 3.28Å; S273-L275 PolarHBondContact O-N 3.45Å; S273-L275 WeakPolarHBondContact OG-CG 3.43Å; L275-A281 HydrophobicContact CD1-CB 4.4Å | ||
| 276 | I | 71.8 | Confident | 88.1 | Confident | 118 Ų | 118 | 25.6 Ų | 25.6 | 61% | 0.605 | 15% | 0.146 | S | C | * | . | trans | -69.4 | 139.1 | 177.5 | -55.2 | 170.5 | 0 | 0 | 0 | 109.2 | G278 S279 | I276-G278 PolarHBondContact O-N 2.85Å; I276-S279 WeakPolarHBondContact O-CB 3.42Å; I276-S279 PolarHBondContact O-N 3.45Å; I276-S279 VanDerWaalsContact O-N 3.13Å; I276-S279 PolarHBondContact O-OG 3.13Å | ||
| 277 | D | 74 | Confident | 88 | Confident | 78 Ų | 78 | 23.4 Ų | 23.4 | 42% | 0.417 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 133.3 | 170.1 | -66.5 | -31.8 | 0 | 0 | 0 | 112 | T183 N184 | T183-D277 WeakPolarHBondContact CA-OD1 3.42Å; T183-D277 PolarHBondContact N-OD1 3.08Å; N184-D277 PolarHBondContact N-OD1 3.14Å; N184-D277 PolarHBondContact ND2-OD2 3.22Å; N184-D277 PolarHBondContact OD1-N 3.32Å; N184-D277 PolarHBondContact OD1-OD1 2.89Å |
| 278 | G | 74.5 | Confident | 87.6 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -7.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D181 N215 I276 | D181-G278 CarbonylContact O-C 3.49Å; D181-G278 WeakPolarHBondContact O-CA 3.32Å; D181-G278 PolarHBondContact O-N 2.71Å; N215-G278 WeakPolarHBondContact CB-O 3.38Å; N215-G278 PolarHBondContact N-O 2.96Å; N215-G278 PolarHBondContact ND2-O 3.27Å; I276-G278 PolarHBondContact O-N 2.85Å |
| 279 | S | 81.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 153.8 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 112 | D181 G213 L214 I276 | D181-S279 WeakPolarHBondContact CA-O 3.06Å; D181-S279 WeakPolarHBondContact CB-O 3.4Å; D181-S279 PolarHBondContact N-O 2.93Å; G213-S279 CarbonylContact O-C 3.6Å; G213-S279 VanDerWaalsContact O-CA 3.32Å; G213-S279 WeakPolarHBondContact O-CA 3.14Å; L214-S279 WeakPolarHBondContact CD2-OG 3.32Å; I276-S279 WeakPolarHBondContact O-CB 3.42Å; I276-S279 PolarHBondContact O-N 3.45Å; I276-S279 VanDerWaalsContact O-N 3.13Å; I276-S279 PolarHBondContact O-OG 3.13Å |
| 280 | V | 86.9 | Confident | 85 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.3 | 168.2 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | T138 F179 V212 G213 N215 M282 V388 | T138-V280 HydrophobicContact CG2-CB 4.08Å; T138-V280 HydrophobicContact CG2-CG1 3.67Å; T138-V280 HydrophobicContact CG2-CG2 4.08Å; F179-V280 CarbonylContact O-C 3.49Å; F179-V280 WeakPolarHBondContact O-CA 3.32Å; F179-V280 WeakPolarHBondContact O-CG1 3.4Å; V212-V280 CarbonylContact C-O 3.51Å; V212-V280 WeakPolarHBondContact CA-O 3.5Å; G213-V280 PolarHBondContact N-O 2.95Å; G213-V280 PolarHBondContact O-N 2.92Å; N215-V280 WeakPolarHBondContact ND2-CG2 3.41Å; V280-M282 HydrophobicContact CG1-CE 4.23Å; V280-V388 HydrophobicContact CG1-CG2 3.67Å |
| 281 | A | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S178 F179 S211 V212 Y271 L275 | S178-A281 CarbonylContact C-O 3.59Å; S178-A281 VanDerWaalsContact CA-O 3.28Å; S178-A281 WeakPolarHBondContact CA-O 3.29Å; F179-A281 HydrophobicContact CD2-CB 4.47Å; F179-A281 PolarHBondContact N-O 2.99Å; F179-A281 PolarHBondContact O-N 3.12Å; S211-A281 WeakPolarHBondContact O-CA 3.45Å; V212-A281 HydrophobicContact CG2-CB 4.45Å; Y271-A281 HydrophobicContact CE1-CB 4.17Å; L275-A281 HydrophobicContact CD1-CB 4.4Å |
| 282 | M | 93.3 | Very high | 82.8 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113.4 | 172.9 | -60.9 | 174.5 | -172.4 | 0 | 0 | 107.8 | T138 A141 H147 F148 I210 S211 V280 | T138-M282 HydrophobicContact CG2-CE 3.7Å; T138-M282 WeakPolarHBondContact O-CE 3.3Å; A141-M282 HydrophobicContact CB-CE 3.74Å; A141-M282 HydrophobicContact CB-SD 3.66Å; H147-M282 PolarHBondContact CE1-O 3.23Å; H147-M282 PolarHBondContact ND1-O 2.86Å; F148-M282 HydrophobicContact CB-CE 4.29Å; I210-M282 CarbonylContact C-O 3.53Å; I210-M282 VanDerWaalsContact CA-O 3.25Å; I210-M282 WeakPolarHBondContact CA-O 3.17Å; S211-M282 PolarHBondContact N-O 2.9Å; S211-M282 PolarHBondContact O-N 2.72Å; V280-M282 HydrophobicContact CG1-CE 4.23Å |
| 283 | V | 95.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.3 | 179.4 | -173.1 | 0 | 0 | 0 | 0 | 109 | T176 R177 F179 I190 I208 T209 I210 V230 Y271 | T176-V283 WeakPolarHBondContact CA-O 3.14Å; R177-V283 PolarHBondContact N-O 3.28Å; R177-V283 PolarHBondContact O-N 3.01Å; F179-V283 HydrophobicContact CE2-CG2 4.22Å; I190-V283 HydrophobicContact CD1-CB 4.06Å; I190-V283 HydrophobicContact CD1-CG1 3.63Å; I190-V283 HydrophobicContact CD1-CG2 4.35Å; I208-V283 HydrophobicContact CG2-CG1 3.95Å; T209-V283 WeakPolarHBondContact O-CA 3.37Å; I210-V283 HydrophobicContact CD1-CG1 4.39Å; I210-V283 HydrophobicContact CD1-CG2 4.17Å; I210-V283 HydrophobicContact CG1-CB 4.46Å; I210-V283 HydrophobicContact CG1-CG1 4.1Å; I210-V283 HydrophobicContact CG1-CG2 4.11Å; I210-V283 HydrophobicContact CG2-CG2 4.41Å; V230-V283 HydrophobicContact CG2-CG1 4.32Å; Y271-V283 HydrophobicContact CD2-CG2 3.78Å; Y271-V283 HydrophobicContact CE2-CG2 4.03Å; Y271-V283 HydrophobicContact CG-CG2 4.41Å |
| 284 | R | 96.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.3 | 176 | -50.4 | -66 | 175.1 | -103.9 | 3.4 | 108.8 | A141 N145 A146 H147 L173 T176 R177 S178 I208 T209 W286 | A141-R284 PolarHBondContact O-NH2 3.34Å; N145-R284 VanDerWaalsContact O-CD 3.26Å; N145-R284 WeakPolarHBondContact O-CD 3.42Å; N145-R284 PolarHBondContact O-NE 3.08Å; A146-R284 VanDerWaalsContact O-CZ 3.3Å; A146-R284 PolarHBondContact O-NE 3.06Å; A146-R284 PolarHBondContact O-NH2 3.04Å; H147-R284 VanDerWaalsContact NE2-CG 3.28Å; H147-R284 WeakPolarHBondContact NE2-CG 3.45Å; L173-R284 HydrophobicContact CD1-CB 3.81Å; L173-R284 HydrophobicContact CD1-CG 4.39Å; T176-R284 WeakPolarHBondContact OG1-CD 3.4Å; T176-R284 VanDerWaalsContact OG1-CZ 3.28Å; T176-R284 PolarHBondContact OG1-NE 3.4Å; T176-R284 PolarHBondContact OG1-NH1 3.48Å; T176-R284 VanDerWaalsContact OG1-NH1 3.12Å; R177-R284 VanDerWaalsContact C-NH1 3.33Å; R177-R284 PolarHBondContact O-NH1 3.38Å; S178-R284 PolarHBondContact OG-NH1 3.35Å; S178-R284 PolarHBondContact OG-NH2 3.25Å; I208-R284 CarbonylContact C-O 3.57Å; I208-R284 WeakPolarHBondContact CA-O 3.35Å; T209-R284 PolarHBondContact N-O 3.46Å; T209-R284 PolarHBondContact O-N 2.87Å; T209-R284 WeakPolarHBondContact OG1-CB 3.27Å; R284-W286 HydrophobicContact CB-CZ2 3.61Å; R284-W286 VanDerWaalsContact CB-NE1 3.34Å; R284-W286 HydrophobicContact CG-CZ2 3.9Å |
| 285 | V | 97 | Very high | 82.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.1 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | T174 I175 F206 T207 I208 | T174-V285 PolarHBondContact N-O 3.49Å; T174-V285 PolarHBondContact OG1-O 2.79Å; T174-V285 VanDerWaalsContact OG1-O 3.04Å; I175-V285 HydrophobicContact CG2-CB 3.61Å; I175-V285 HydrophobicContact CG2-CG1 4.42Å; I175-V285 HydrophobicContact CG2-CG2 3.56Å; I175-V285 PolarHBondContact O-N 2.93Å; F206-V285 HydrophobicContact CB-CG1 3.97Å; F206-V285 HydrophobicContact CD1-CG1 3.73Å; F206-V285 HydrophobicContact CG-CG1 4.22Å; T207-V285 CarbonylContact O-C 3.55Å; T207-V285 WeakPolarHBondContact O-CA 3.13Å; I208-V285 HydrophobicContact CG1-CG1 4.48Å; I208-V285 HydrophobicContact CG1-CG2 4.28Å; I208-V285 HydrophobicContact CG2-CG2 4.33Å |
| 286 | W | 95.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.9 | -173.4 | -48.6 | 91.5 | 0 | 0 | 0 | 109.7 | K113 A168 D171 S172 L173 F206 T207 T209 R284 | K113-W286 HydrophobicContact CD-CH2 4.27Å; A168-W286 HydrophobicContact CB-CH2 3.75Å; A168-W286 HydrophobicContact CB-CZ2 3.9Å; A168-W286 HydrophobicContact CB-CZ3 4.14Å; D171-W286 HydrophobicContact CB-CB 3.94Å; S172-W286 VanDerWaalsContact O-CA 3.29Å; S172-W286 WeakPolarHBondContact O-CA 3.47Å; L173-W286 HydrophobicContact CB-CE3 3.81Å; L173-W286 HydrophobicContact CB-CH2 4.13Å; L173-W286 HydrophobicContact CB-CZ3 3.49Å; L173-W286 VanDerWaalsContact CB-CZ3 3.49Å; L173-W286 HydrophobicContact CD1-CD2 4.05Å; L173-W286 HydrophobicContact CD1-CE3 3.96Å; L173-W286 HydrophobicContact CD1-CH2 3.7Å; L173-W286 HydrophobicContact CD1-CZ2 3.8Å; L173-W286 HydrophobicContact CD1-CZ3 3.79Å; L173-W286 HydrophobicContact CG-CH2 4.35Å; L173-W286 HydrophobicContact CG-CZ3 4.17Å; F206-W286 CarbonylContact C-O 3.55Å; F206-W286 VanDerWaalsContact CA-O 3.25Å; F206-W286 WeakPolarHBondContact CA-O 3.41Å; T207-W286 PolarHBondContact N-O 3.49Å; T207-W286 PolarHBondContact O-N 3.04Å; T209-W286 PolarHBondContact OG1-NE1 2.63Å; R284-W286 HydrophobicContact CB-CZ2 3.61Å; R284-W286 VanDerWaalsContact CB-NE1 3.34Å; R284-W286 HydrophobicContact CG-CZ2 3.9Å |
| 287 | T | 93.8 | Very high | 83.9 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.1 | 165 | -165.1 | 0 | 0 | 0 | 0 | 109.4 | D171 S172 T174 V204 N205 F206 S289 I405 | D171-T287 WeakPolarHBondContact CB-O 3Å; S172-T287 PolarHBondContact N-O 2.54Å; S172-T287 PolarHBondContact O-N 3.25Å; T174-T287 HydrophobicContact CG2-CG2 3.51Å; V204-T287 WeakPolarHBondContact CG1-OG1 3.43Å; N205-T287 PolarHBondContact O-OG1 3.14Å; F206-T287 HydrophobicContact CE1-CG2 4.17Å; T287-S289 PolarHBondContact O-N 3.29Å; T287-I405 HydrophobicContact CG2-CG2 3.45Å; T287-I405 VanDerWaalsContact CG2-CG2 3.45Å |
| 288 | T | 87.5 | Confident | 84.5 | Confident | 106 Ų | 106 | 22.9 Ų | 22.9 | 65% | 0.65 | 14% | 0.137 | S | C | * | . | trans | -59.8 | 130.9 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 289 | S | 74.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | trans | -128.3 | 130.2 | 170 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | S172 T287 L291 F404 | S172-S289 WeakPolarHBondContact OG-CB 3.45Å; T287-S289 PolarHBondContact O-N 3.29Å; S289-L291 VanDerWaalsContact C-N 3.29Å; S289-F404 WeakPolarHBondContact OG-CD2 3.13Å | ||
| 290 | A | 63.3 | Low | 84.9 | Confident | 98 Ų | 98 | 23.5 Ų | 23.5 | 81% | 0.81 | 14% | 0.135 | S | C | * | . | trans | -89.5 | 3.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 291 | L | 70.9 | Confident | 84.6 | Confident | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | trans | -113.7 | 126 | -162.6 | -62.6 | 164 | 0 | 0 | 0 | 112.8 | S289 Y329 F404 | S289-L291 VanDerWaalsContact C-N 3.29Å; L291-Y329 HydrophobicContact CD1-CD1 4.15Å; L291-Y329 HydrophobicContact CD1-CD2 4.25Å; L291-Y329 HydrophobicContact CD1-CE1 3.36Å; L291-Y329 HydrophobicContact CD1-CE2 3.49Å; L291-Y329 VanDerWaalsContact CD1-CE2 3.49Å; L291-Y329 WeakPolarHBondContact CD1-OH 3.31Å; L291-Y329 HydrophobicContact CD2-CD2 4.33Å; L291-Y329 HydrophobicContact CD2-CE2 3.25Å; L291-Y329 VanDerWaalsContact CD2-CZ 3.45Å; L291-Y329 WeakPolarHBondContact CD2-OH 3.46Å; L291-Y329 HydrophobicContact CG-CE2 3.92Å; L291-F404 HydrophobicContact CB-CD2 3.89Å; L291-F404 HydrophobicContact CB-CE2 4.28Å; L291-F404 HydrophobicContact CD1-CB 3.69Å; L291-F404 HydrophobicContact CD1-CD2 3.82Å; L291-F404 HydrophobicContact CD1-CG 4.12Å | ||
| 292 | Y | 70.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 31.4 Ų | 31.4 | 30% | 0.302 | 17% | 0.173 | S | C | . | . | trans | -69.4 | 134.7 | 165.6 | -175.8 | -81.9 | 0 | 0 | 0 | 109 | N15 M325 | N15-Y292 VanDerWaalsContact OD1-CD2 3.25Å; N15-Y292 WeakPolarHBondContact OD1-CD2 3.33Å; Y292-M325 HydrophobicContact CD1-CB 4.31Å; Y292-M325 HydrophobicContact CD1-CE 4.15Å; Y292-M325 HydrophobicContact CD1-CG 3.51Å; Y292-M325 HydrophobicContact CD1-SD 3.12Å; Y292-M325 WeakPolarHBondContact CD1-SD 3.39Å; Y292-M325 HydrophobicContact CE1-CG 4.28Å; Y292-M325 HydrophobicContact CE1-SD 3.62Å; Y292-M325 HydrophobicContact CG-CE 4.15Å; Y292-M325 HydrophobicContact CG-CG 4.27Å; Y292-M325 HydrophobicContact CG-SD 3.72Å; Y292-M325 PolarHBondContact O-N 2.97Å | ||
| 293 | H | 80 | Confident | 83.3 | Confident | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.8 | 175.2 | 63.4 | -86.2 | 0 | 0 | 0 | 109.6 | E81 M322 K323 L324 F404 | E81-H293 IonicContact OE1-CD2 2.75Å; H293-M322 HydrophobicContact CB-CE 3.87Å; H293-K323 CarbonylContact C-O 3.52Å; H293-K323 WeakPolarHBondContact CA-O 3.41Å; H293-L324 HydrophobicContact CB-CD2 3.78Å; H293-F404 HydrophobicContact CB-CE1 4.35Å; H293-F404 HydrophobicContact CB-CE2 4.22Å; H293-F404 HydrophobicContact CB-CZ 3.67Å; H293-F404 AromaticContact CG-CZ 3.51Å; H293-F404 AromaticContact ND1-CE2 3.64Å; H293-F404 AromaticContact ND1-CZ 3.46Å; H293-F404 WeakPolarHBondContact ND1-CZ 3.5Å |
| 294 | Y | 79.8 | Confident | 82.2 | Confident | 88 Ų | 88 | 36.3 Ų | 36.3 | 35% | 0.345 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120 | 166.2 | 179.9 | -95.5 | 0 | 0 | 0 | 108.1 | E81 K323 | E81-Y294 WeakPolarHBondContact OE1-CA 3.48Å; E81-Y294 WeakPolarHBondContact OE2-CD2 3.32Å; Y294-K323 PolarHBondContact N-O 3.38Å; Y294-K323 PolarHBondContact O-N 2.89Å |
| 295 | G | 84.5 | Confident | 81 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E81 M322 R408 | E81-G295 PolarHBondContact OE1-N 3.49Å; G295-M322 VanDerWaalsContact CA-SD 3.51Å; G295-R408 PolarHBondContact O-NH2 2.8Å |
| 296 | S | 86.4 | Confident | 79.8 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149.7 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | R321 | S296-R321 PolarHBondContact N-O 2.82Å; S296-R321 VanDerWaalsContact N-O 3.08Å; S296-R321 PolarHBondContact O-N 3.34Å |
| 297 | Y | 89.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.5 | 170.7 | -60.1 | -74.3 | 0 | 0 | 0 | 109.5 | N109 L309 V312 A318 A319 L320 I397 S409 F410 | N109-Y297 HydrophobicContact CB-CD2 4.18Å; N109-Y297 HydrophobicContact CB-CE2 3.89Å; Y297-L309 WeakPolarHBondContact O-CB 3.5Å; Y297-L309 PolarHBondContact O-N 3.43Å; Y297-V312 HydrophobicContact CD1-CG2 3.92Å; Y297-V312 HydrophobicContact CD2-CG2 4.11Å; Y297-V312 HydrophobicContact CE1-CG2 4.4Å; Y297-V312 HydrophobicContact CG-CG2 3.77Å; Y297-A318 HydrophobicContact CD1-CB 4.14Å; Y297-A318 HydrophobicContact CE1-CB 4.21Å; Y297-A319 CarbonylContact C-O 3.58Å; Y297-A319 WeakPolarHBondContact CA-O 3.25Å; Y297-L320 HydrophobicContact CD1-CB 4.4Å; Y297-L320 HydrophobicContact CD1-CD1 4.39Å; Y297-L320 HydrophobicContact CE1-CB 4.25Å; Y297-L320 HydrophobicContact CE1-CD1 4.05Å; Y297-I397 HydrophobicContact CE1-CD1 3.83Å; Y297-S409 PolarHBondContact OH-O 2.89Å; Y297-F410 HydrophobicContact CE1-CB 4.25Å; Y297-F410 AromaticContact CE1-CD1 3.98Å; Y297-F410 HydrophobicContact CE1-CD1 3.98Å; Y297-F410 HydrophobicContact CE1-CG 4.37Å; Y297-F410 HydrophobicContact CE2-CB 4.06Å |
| 298 | A | 85.1 | Confident | 78.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 153.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D302 A319 | A298-D302 WeakPolarHBondContact CB-O 3.36Å; A298-A319 HydrophobicContact CB-CB 4.24Å; A298-A319 PolarHBondContact N-O 2.88Å |
| 299 | T | 84 | Confident | 77.9 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -80.2 | 158.4 | 169.9 | 68.5 | 0 | 0 | 0 | 0 | 110 | E301 D302 L309 | T299-E301 PolarHBondContact O-N 3.26Å; T299-D302 CarbonylContact O-C 3.55Å; T299-D302 VanDerWaalsContact O-C 3.22Å; T299-D302 PolarHBondContact O-N 3.22Å; T299-D302 VanDerWaalsContact O-N 3.1Å; T299-D302 VanDerWaalsContact OG1-CB 3.3Å; T299-D302 WeakPolarHBondContact OG1-CB 3.44Å; T299-D302 PolarHBondContact OG1-N 2.93Å; T299-D302 VanDerWaalsContact OG1-N 3.09Å; T299-L309 HydrophobicContact CG2-CB 4.27Å; T299-L309 HydrophobicContact CG2-CD1 3.94Å |
| 300 | L | 81.6 | Confident | 78.1 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.6 | 179.3 | -155.9 | 139.7 | 0 | 0 | 0 | 113.1 | P374 F376 Q448 I449 Y468 | L300-P374 HydrophobicContact CD1-CB 3.78Å; L300-P374 HydrophobicContact CD1-CG 3.59Å; L300-P374 HydrophobicContact CG-CG 3.87Å; L300-F376 HydrophobicContact CD1-CE1 3.84Å; L300-F376 HydrophobicContact CD1-CZ 3.5Å; L300-F376 VanDerWaalsContact CD1-CZ 3.5Å; L300-Q448 HydrophobicContact CD2-CB 3.29Å; L300-Q448 HydrophobicContact CD2-CG 4.06Å; L300-I449 HydrophobicContact CD1-CD1 3.97Å; L300-I449 HydrophobicContact CD1-CG1 3.94Å; L300-I449 HydrophobicContact CD2-CD1 4.22Å; L300-I449 HydrophobicContact CG-CD1 4.23Å; L300-Y468 HydrophobicContact CG-CE2 4.43Å |
| 301 | E | 80.3 | Confident | 79.3 | Confident | 143 Ų | 143 | 49.6 Ų | 49.6 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11.1 | 177.9 | -59.6 | -179.4 | 170.1 | 0 | 0 | 113.6 | T299 P303 | T299-E301 PolarHBondContact O-N 3.26Å; E301-P303 VanDerWaalsContact C-CD 3.44Å |
| 302 | D | 81.2 | Confident | 80.3 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 66.5 | 178.4 | -175.5 | 0.1 | 0 | 0 | 0 | 108.9 | A298 T299 M304 G305 G306 N307 | A298-D302 WeakPolarHBondContact CB-O 3.36Å; T299-D302 CarbonylContact O-C 3.55Å; T299-D302 VanDerWaalsContact O-C 3.22Å; T299-D302 PolarHBondContact O-N 3.22Å; T299-D302 VanDerWaalsContact O-N 3.1Å; T299-D302 VanDerWaalsContact OG1-CB 3.3Å; T299-D302 WeakPolarHBondContact OG1-CB 3.44Å; T299-D302 PolarHBondContact OG1-N 2.93Å; T299-D302 VanDerWaalsContact OG1-N 3.09Å; D302-M304 PolarHBondContact O-N 2.81Å; D302-G305 WeakPolarHBondContact O-CA 3.43Å; D302-G305 PolarHBondContact O-N 2.82Å; D302-G305 PolarHBondContact OD1-N 2.82Å; D302-G305 VanDerWaalsContact OD1-N 3.11Å; D302-G306 PolarHBondContact OD1-N 2.92Å; D302-G306 WeakPolarHBondContact OD2-CA 2.97Å; D302-G306 PolarHBondContact OD2-N 2.8Å; D302-G306 VanDerWaalsContact OD2-N 3.08Å; D302-N307 PolarHBondContact OD2-N 2.96Å; D302-N307 PolarHBondContact OD2-ND2 3.39Å |
| 303 | P | 75 | Confident | 81.4 | Confident | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.104 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.4 | 180 | 26.2 | -33.5 | 0 | 0 | 0 | 112.1 | E301 G305 Y460 | E301-P303 VanDerWaalsContact C-CD 3.44Å; P303-G305 PolarHBondContact O-N 3.22Å; P303-Y460 HydrophobicContact CB-CD2 4.01Å; P303-Y460 HydrophobicContact CB-CE2 3.86Å; P303-Y460 HydrophobicContact CB-CG 4.45Å; P303-Y460 HydrophobicContact CG-CD2 3.99Å; P303-Y460 HydrophobicContact CG-CE1 4.15Å; P303-Y460 HydrophobicContact CG-CE2 3.31Å; P303-Y460 WeakPolarHBondContact CG-OH 3.37Å |
| 304 | M | 72.1 | Confident | 81.9 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.1 | 168.5 | -66.1 | -155.3 | 75.8 | 0 | 0 | 112.4 | D302 G306 R321 F361 F462 | D302-M304 PolarHBondContact O-N 2.81Å; M304-G306 VanDerWaalsContact C-N 3.27Å; M304-G306 PolarHBondContact O-N 3.12Å; M304-R321 WeakPolarHBondContact O-CD 3.19Å; M304-R321 PolarHBondContact O-NE 3.44Å; M304-R321 VanDerWaalsContact O-NE 3.14Å; M304-R321 PolarHBondContact O-NH1 2.8Å; M304-F361 HydrophobicContact CE-CE2 4.26Å; M304-F462 HydrophobicContact CG-CE1 4.01Å |
| 305 | G | 69.7 | Low | 82.3 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | trans | 61.6 | 37.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D302 P303 N307 | D302-G305 WeakPolarHBondContact O-CA 3.43Å; D302-G305 PolarHBondContact O-N 2.82Å; D302-G305 PolarHBondContact OD1-N 2.82Å; D302-G305 VanDerWaalsContact OD1-N 3.11Å; P303-G305 PolarHBondContact O-N 3.22Å; G305-N307 PolarHBondContact O-N 3.46Å | ||
| 306 | G | 71.5 | Confident | 82.5 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 64% | 0.639 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -60.2 | -33.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D302 M304 | D302-G306 PolarHBondContact OD1-N 2.92Å; D302-G306 WeakPolarHBondContact OD2-CA 2.97Å; D302-G306 PolarHBondContact OD2-N 2.8Å; D302-G306 VanDerWaalsContact OD2-N 3.08Å; M304-G306 VanDerWaalsContact C-N 3.27Å; M304-G306 PolarHBondContact O-N 3.12Å |
| 307 | N | 76.1 | Confident | 82.5 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -114.5 | 124 | 171.2 | -56.3 | -74.3 | 0 | 0 | 0 | 110.1 | D302 G305 | D302-N307 PolarHBondContact OD2-N 2.96Å; D302-N307 PolarHBondContact OD2-ND2 3.39Å; G305-N307 PolarHBondContact O-N 3.46Å |
| 308 | T | 78.7 | Confident | 82.4 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 132.2 | 175.9 | -48.3 | 0 | 0 | 0 | 0 | 109.8 | D310 | T308-D310 PolarHBondContact O-N 2.65Å |
| 309 | L | 83.1 | Confident | 82.4 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | trans | -79 | 112.3 | 173.8 | -177.5 | 73.5 | 0 | 0 | 0 | 109.4 | Y297 T299 K311 V312 Q316 | Y297-L309 WeakPolarHBondContact O-CB 3.5Å; Y297-L309 PolarHBondContact O-N 3.43Å; T299-L309 HydrophobicContact CG2-CB 4.27Å; T299-L309 HydrophobicContact CG2-CD1 3.94Å; L309-K311 VanDerWaalsContact C-N 3.28Å; L309-K311 WeakPolarHBondContact CD1-O 3.19Å; L309-K311 VanDerWaalsContact CD2-O 3.23Å; L309-K311 WeakPolarHBondContact CD2-O 3.4Å; L309-K311 WeakPolarHBondContact CG-O 3.41Å; L309-K311 PolarHBondContact O-N 2.81Å; L309-V312 HydrophobicContact CD2-CG2 4.27Å; L309-Q316 HydrophobicContact CD2-CB 4.29Å | ||
| 310 | D | 78.9 | Confident | 82.4 | Confident | 131 Ų | 131 | 45 Ų | 45 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -71.4 | -24.3 | 179.8 | -64.9 | -28.6 | 0 | 0 | 0 | 112.9 | N109 T308 | N109-D310 PolarHBondContact ND2-O 3.37Å; T308-D310 PolarHBondContact O-N 2.65Å |
| 311 | K | 87.5 | Confident | 82.6 | Confident | 101 Ų | 101 | 46 Ų | 46 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | trans | -137.5 | 120.8 | -176.1 | -68.7 | -177.6 | 178.4 | 174.1 | 0 | 111.3 | S102 L309 | S102-K311 VanDerWaalsContact OG-CE 3.25Å; S102-K311 WeakPolarHBondContact OG-CE 3.4Å; S102-K311 PolarHBondContact OG-NZ 3.16Å; L309-K311 VanDerWaalsContact C-N 3.28Å; L309-K311 WeakPolarHBondContact CD1-O 3.19Å; L309-K311 VanDerWaalsContact CD2-O 3.23Å; L309-K311 WeakPolarHBondContact CD2-O 3.4Å; L309-K311 WeakPolarHBondContact CG-O 3.41Å; L309-K311 PolarHBondContact O-N 2.81Å | ||
| 312 | V | 91.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -81.2 | 133.2 | 168.9 | 174.3 | 0 | 0 | 0 | 0 | 109.3 | Y297 L309 A318 F410 Q411 R413 | Y297-V312 HydrophobicContact CD1-CG2 3.92Å; Y297-V312 HydrophobicContact CD2-CG2 4.11Å; Y297-V312 HydrophobicContact CE1-CG2 4.4Å; Y297-V312 HydrophobicContact CG-CG2 3.77Å; L309-V312 HydrophobicContact CD2-CG2 4.27Å; V312-A318 HydrophobicContact CG1-CB 3.87Å; V312-A318 HydrophobicContact CG2-CB 4.22Å; V312-F410 HydrophobicContact CB-CB 4.27Å; V312-F410 HydrophobicContact CB-CD2 3.79Å; V312-F410 HydrophobicContact CB-CG 4.27Å; V312-F410 HydrophobicContact CG1-CD2 3.43Å; V312-F410 VanDerWaalsContact CG1-CD2 3.43Å; V312-F410 HydrophobicContact CG1-CE2 3.68Å; V312-F410 HydrophobicContact CG1-CG 4.22Å; V312-F410 HydrophobicContact CG2-CB 3.95Å; V312-F410 HydrophobicContact CG2-CD2 4.14Å; V312-F410 HydrophobicContact CG2-CG 4.13Å; V312-Q411 VanDerWaalsContact O-O 3.07Å; V312-R413 PolarHBondContact O-N 2.92Å | ||
| 313 | D | 92.5 | Very high | 82.9 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -135.9 | 173.5 | 175.1 | 73.2 | 15.3 | 0 | 0 | 0 | 112 | Y315 Q316 G317 R413 | D313-Y315 PolarHBondContact O-N 2.98Å; D313-Y315 WeakPolarHBondContact OD1-CA 3.24Å; D313-Y315 WeakPolarHBondContact OD1-CB 3.21Å; D313-Y315 PolarHBondContact OD1-N 3.4Å; D313-Q316 PolarHBondContact OD1-N 2.97Å; D313-G317 VanDerWaalsContact O-CA 3.3Å; D313-G317 WeakPolarHBondContact O-CA 3.4Å; D313-G317 PolarHBondContact O-N 3.12Å; D313-R413 CarbonylContact C-O 3.58Å; D313-R413 VanDerWaalsContact CA-O 3.23Å; D313-R413 WeakPolarHBondContact CA-O 3.34Å; D313-R413 HydrophobicContact CB-CB 4.21Å; D313-R413 WeakPolarHBondContact CB-O 3.16Å |
| 314 | E | 91.2 | Very high | 83.1 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.9 | 178.2 | -64.7 | 170.5 | 160.7 | 0 | 0 | 113.4 | S379 R413 G415 | E314-S379 VanDerWaalsContact CD-OG 3.28Å; E314-S379 WeakPolarHBondContact OE1-CA 3.08Å; E314-S379 WeakPolarHBondContact OE1-CB 3.38Å; E314-S379 PolarHBondContact OE1-N 3.47Å; E314-S379 PolarHBondContact OE1-OG 2.87Å; E314-R413 PolarHBondContact N-O 2.82Å; E314-G415 PolarHBondContact OE2-N 2.92Å |
| 315 | Y | 89.4 | Confident | 83.2 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -52.6 | -174.3 | -179.2 | -105.2 | 0 | 0 | 0 | 112.5 | D313 F376 Q418 P445 T446 | D313-Y315 PolarHBondContact O-N 2.98Å; D313-Y315 WeakPolarHBondContact OD1-CA 3.24Å; D313-Y315 WeakPolarHBondContact OD1-CB 3.21Å; D313-Y315 PolarHBondContact OD1-N 3.4Å; Y315-F376 WeakPolarHBondContact O-CE1 3.04Å; Y315-Q418 WeakPolarHBondContact CE2-O 3.3Å; Y315-Q418 PolarHBondContact OH-O 3.35Å; Y315-Q418 VanDerWaalsContact OH-O 3.12Å; Y315-P445 HydrophobicContact CD2-CB 4.04Å; Y315-P445 HydrophobicContact CD2-CG 4.27Å; Y315-P445 HydrophobicContact CE2-CB 4.49Å; Y315-P445 WeakPolarHBondContact O-CG 3.34Å; Y315-T446 HydrophobicContact CD2-CG2 4.37Å; Y315-T446 HydrophobicContact CE1-CG2 4.05Å; Y315-T446 HydrophobicContact CE2-CG2 3.78Å |
| 316 | Q | 87.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -29.6 | 176.8 | -68.3 | -66.1 | -34.7 | 0 | 0 | 111.9 | L309 D313 | L309-Q316 HydrophobicContact CD2-CB 4.29Å; D313-Q316 PolarHBondContact OD1-N 2.97Å |
| 317 | G | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | 70.1 | -172.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D313 F375 | D313-G317 VanDerWaalsContact O-CA 3.3Å; D313-G317 WeakPolarHBondContact O-CA 3.4Å; D313-G317 PolarHBondContact O-N 3.12Å; G317-F375 CarbonylContact C-O 3.56Å; G317-F375 WeakPolarHBondContact CA-O 3.4Å | ||
| 318 | A | 86.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -107.8 | 93 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y297 V312 F338 F375 F410 | Y297-A318 HydrophobicContact CD1-CB 4.14Å; Y297-A318 HydrophobicContact CE1-CB 4.21Å; V312-A318 HydrophobicContact CG1-CB 3.87Å; V312-A318 HydrophobicContact CG2-CB 4.22Å; A318-F338 HydrophobicContact CB-CE1 4.18Å; A318-F375 PolarHBondContact N-O 2.76Å; A318-F375 PolarHBondContact O-N 2.93Å; A318-F375 VanDerWaalsContact O-N 3.16Å; A318-F410 HydrophobicContact CB-CD1 4.05Å; A318-F410 HydrophobicContact CB-CD2 4.38Å; A318-F410 HydrophobicContact CB-CE1 3.69Å; A318-F410 HydrophobicContact CB-CE2 4.04Å; A318-F410 HydrophobicContact CB-CG 4.37Å; A318-F410 HydrophobicContact CB-CZ 3.67Å |
| 319 | A | 85.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 95.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y297 A298 R321 P374 | Y297-A319 CarbonylContact C-O 3.58Å; Y297-A319 WeakPolarHBondContact CA-O 3.25Å; A298-A319 HydrophobicContact CB-CB 4.24Å; A298-A319 PolarHBondContact N-O 2.88Å; A319-R321 PolarHBondContact O-N 3.05Å; A319-P374 HydrophobicContact CB-CB 4.18Å; A319-P374 HydrophobicContact CB-CG 3.88Å |
| 320 | L | 83.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.2 | -178.7 | 175.3 | 68.5 | 0 | 0 | 0 | 110.1 | Y297 M322 I372 I397 R408 | Y297-L320 HydrophobicContact CD1-CB 4.4Å; Y297-L320 HydrophobicContact CD1-CD1 4.39Å; Y297-L320 HydrophobicContact CE1-CB 4.25Å; Y297-L320 HydrophobicContact CE1-CD1 4.05Å; L320-M322 HydrophobicContact CD1-SD 3.96Å; L320-M322 HydrophobicContact CD2-CG 3.88Å; L320-M322 HydrophobicContact CD2-SD 3.93Å; L320-M322 HydrophobicContact CG-CG 3.99Å; L320-M322 HydrophobicContact CG-SD 4.05Å; L320-I372 HydrophobicContact CB-CB 4.21Å; L320-I372 HydrophobicContact CB-CD1 3.64Å; L320-I372 HydrophobicContact CB-CG1 4.44Å; L320-I372 HydrophobicContact CD2-CD1 3.65Å; L320-I372 HydrophobicContact CG-CD1 3.82Å; L320-I372 VanDerWaalsContact O-CB 3.23Å; L320-I372 WeakPolarHBondContact O-CB 3.26Å; L320-I372 WeakPolarHBondContact O-CG1 3.29Å; L320-I372 PolarHBondContact O-N 2.82Å; L320-I372 VanDerWaalsContact O-N 3.1Å; L320-I397 HydrophobicContact CB-CD1 4.16Å; L320-I397 HydrophobicContact CD2-CB 4.44Å; L320-I397 HydrophobicContact CD2-CD1 3.98Å; L320-I397 HydrophobicContact CD2-CG2 4.04Å; L320-R408 HydrophobicContact CD2-CB 4.45Å; L320-R408 HydrophobicContact CD2-CG 4.32Å |
| 321 | R | 85.3 | Confident | 79.8 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.1 | 167.3 | -174.5 | -178.6 | -175.6 | -156.3 | 4.1 | 108.2 | S296 M304 A319 D363 H369 | S296-R321 PolarHBondContact N-O 2.82Å; S296-R321 VanDerWaalsContact N-O 3.08Å; S296-R321 PolarHBondContact O-N 3.34Å; M304-R321 WeakPolarHBondContact O-CD 3.19Å; M304-R321 PolarHBondContact O-NE 3.44Å; M304-R321 VanDerWaalsContact O-NE 3.14Å; M304-R321 PolarHBondContact O-NH1 2.8Å; A319-R321 PolarHBondContact O-N 3.05Å; R321-D363 IonicContact CZ-OD2 3.9Å; R321-D363 VanDerWaalsContact NH2-CG 3.34Å; R321-D363 IonicContact NH2-OD1 3.49Å; R321-D363 PolarHBondContact NH2-OD1 2.73Å; R321-D363 IonicContact NH2-OD2 3.94Å; R321-D363 PolarHBondContact NH2-OD2 3.09Å; R321-H369 VanDerWaalsContact CZ-ND1 3.34Å; R321-H369 PolarHBondContact NE-ND1 2.88Å; R321-H369 PolarHBondContact NH2-CE1 3.14Å; R321-H369 PolarHBondContact NH2-ND1 3.44Å; R321-H369 VanDerWaalsContact NH2-ND1 3.16Å; R321-H369 PolarHBondContact NH2-NE2 2.82Å; R321-H369 VanDerWaalsContact NH2-NE2 3.18Å |
| 322 | M | 86.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121 | 171.1 | -73.3 | -52.6 | -39.9 | 0 | 0 | 110.6 | H293 G295 L320 L324 H369 Y370 F399 R408 | H293-M322 HydrophobicContact CB-CE 3.87Å; G295-M322 VanDerWaalsContact CA-SD 3.51Å; L320-M322 HydrophobicContact CD1-SD 3.96Å; L320-M322 HydrophobicContact CD2-CG 3.88Å; L320-M322 HydrophobicContact CD2-SD 3.93Å; L320-M322 HydrophobicContact CG-CG 3.99Å; L320-M322 HydrophobicContact CG-SD 4.05Å; M322-L324 HydrophobicContact CE-CD2 4.46Å; M322-H369 WeakPolarHBondContact O-CA 3.49Å; M322-Y370 PolarHBondContact N-O 3.27Å; M322-Y370 PolarHBondContact O-N 3.19Å; M322-F399 HydrophobicContact CB-CD1 4.28Å; M322-F399 HydrophobicContact CB-CE1 3.98Å; M322-F399 HydrophobicContact CB-CZ 4.13Å; M322-F399 HydrophobicContact CG-CD1 3.83Å; M322-F399 HydrophobicContact CG-CD2 4.31Å; M322-F399 HydrophobicContact CG-CE1 4.05Å; M322-F399 HydrophobicContact CG-CG 3.96Å; M322-F399 HydrophobicContact CG-CZ 4.39Å; M322-R408 HydrophobicContact SD-CG 4.43Å |
| 323 | K | 82.7 | Confident | 79.6 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 120.4 | 171.7 | -175.4 | -179.3 | -165.2 | 167.6 | 0 | 109 | H293 Y294 F367 H369 | H293-K323 CarbonylContact C-O 3.52Å; H293-K323 WeakPolarHBondContact CA-O 3.41Å; Y294-K323 PolarHBondContact N-O 3.38Å; Y294-K323 PolarHBondContact O-N 2.89Å; K323-F367 HydrophobicContact CD-CB 4.17Å; K323-F367 HydrophobicContact CD-CG 4.43Å; K323-F367 HydrophobicContact CG-CB 3.8Å; K323-F367 HydrophobicContact CG-CG 4.39Å; K323-H369 VanDerWaalsContact CG-CE1 3.43Å; K323-H369 WeakPolarHBondContact CG-CE1 3.34Å |
| 324 | L | 79.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.3 | 176.4 | -53.1 | -177.8 | 0 | 0 | 0 | 109.8 | H293 M322 Y329 P368 Y370 F399 A401 F404 | H293-L324 HydrophobicContact CB-CD2 3.78Å; M322-L324 HydrophobicContact CE-CD2 4.46Å; L324-Y329 HydrophobicContact CB-CD2 4.49Å; L324-Y329 HydrophobicContact CD1-CG 4.04Å; L324-P368 HydrophobicContact CB-CG 4.32Å; L324-P368 PolarHBondContact N-O 3.34Å; L324-P368 WeakPolarHBondContact O-CD 3.09Å; L324-Y370 HydrophobicContact CD1-CD2 4.36Å; L324-Y370 HydrophobicContact CD1-CE2 3.67Å; L324-Y370 HydrophobicContact CG-CD2 4.49Å; L324-Y370 HydrophobicContact CG-CE2 4.13Å; L324-F399 HydrophobicContact CD1-CE1 4.36Å; L324-A401 HydrophobicContact CD1-CB 4.34Å; L324-F404 HydrophobicContact CD1-CB 4.33Å; L324-F404 HydrophobicContact CD1-CD1 4Å; L324-F404 HydrophobicContact CD1-CG 4.32Å; L324-F404 HydrophobicContact CD2-CD1 3.51Å; L324-F404 HydrophobicContact CD2-CE1 3.41Å; L324-F404 VanDerWaalsContact CD2-CE1 3.41Å; L324-F404 HydrophobicContact CD2-CE2 4.45Å; L324-F404 HydrophobicContact CD2-CG 4.08Å; L324-F404 HydrophobicContact CD2-CZ 3.92Å; L324-F404 HydrophobicContact CG-CD1 4.43Å |
| 325 | M | 73.8 | Confident | 79.6 | Confident | 58 Ų | 58 | 38 Ų | 38 | 29% | 0.286 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -88.6 | 152.2 | 174.3 | -67.5 | -168.6 | 10.6 | 0 | 0 | 112.3 | Y292 F367 | Y292-M325 HydrophobicContact CD1-CB 4.31Å; Y292-M325 HydrophobicContact CD1-CE 4.15Å; Y292-M325 HydrophobicContact CD1-CG 3.51Å; Y292-M325 HydrophobicContact CD1-SD 3.12Å; Y292-M325 WeakPolarHBondContact CD1-SD 3.39Å; Y292-M325 HydrophobicContact CE1-CG 4.28Å; Y292-M325 HydrophobicContact CE1-SD 3.62Å; Y292-M325 HydrophobicContact CG-CE 4.15Å; Y292-M325 HydrophobicContact CG-CG 4.27Å; Y292-M325 HydrophobicContact CG-SD 3.72Å; Y292-M325 PolarHBondContact O-N 2.97Å; M325-F367 HydrophobicContact CB-CD1 4.14Å; M325-F367 HydrophobicContact CB-CE1 3.85Å; M325-F367 HydrophobicContact CG-CD1 3.75Å; M325-F367 HydrophobicContact CG-CE1 3.41Å; M325-F367 VanDerWaalsContact CG-CE1 3.41Å; M325-F367 HydrophobicContact CG-CZ 4.13Å; M325-F367 HydrophobicContact SD-CE1 4.08Å; M325-F367 HydrophobicContact SD-CZ 4.26Å |
| 326 | N | 63.2 | Low | 79.9 | Confident | 105 Ų | 105 | 35.7 Ų | 35.7 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 74 | 60.9 | 174.8 | -59.1 | -22.2 | 0 | 0 | 0 | 116.7 | C328 | N326-C328 PolarHBondContact O-N 3.41Š|
| 327 | D | 59.1 | Low | 80.3 | Confident | 100 Ų | 100 | 34.3 Ų | 34.3 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 39.6 | -19.7 | 155.6 | -61.9 | -17.2 | 0 | 0 | 0 | 122.9 | Y329 T330 | D327-Y329 VanDerWaalsContact C-N 3.28Å; D327-Y329 PolarHBondContact O-N 2.62Å; D327-T330 PolarHBondContact O-OG1 3.36Å |
| 328 | C | 57.6 | Low | 80.7 | Confident | 88 Ų | 88 | 34.3 Ų | 34.3 | 60% | 0.595 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -0.5 | -171.1 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | N326 | N326-C328 PolarHBondContact O-N 3.41Š|
| 329 | Y | 65.5 | Low | 81 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -14.6 | -170.1 | -59.1 | -74.7 | 0 | 0 | 0 | 113.8 | L291 L324 D327 S331 H332 Y370 E403 F404 | L291-Y329 HydrophobicContact CD1-CD1 4.15Å; L291-Y329 HydrophobicContact CD1-CD2 4.25Å; L291-Y329 HydrophobicContact CD1-CE1 3.36Å; L291-Y329 HydrophobicContact CD1-CE2 3.49Å; L291-Y329 VanDerWaalsContact CD1-CE2 3.49Å; L291-Y329 WeakPolarHBondContact CD1-OH 3.31Å; L291-Y329 HydrophobicContact CD2-CD2 4.33Å; L291-Y329 HydrophobicContact CD2-CE2 3.25Å; L291-Y329 VanDerWaalsContact CD2-CZ 3.45Å; L291-Y329 WeakPolarHBondContact CD2-OH 3.46Å; L291-Y329 HydrophobicContact CG-CE2 3.92Å; L324-Y329 HydrophobicContact CB-CD2 4.49Å; L324-Y329 HydrophobicContact CD1-CG 4.04Å; D327-Y329 VanDerWaalsContact C-N 3.28Å; D327-Y329 PolarHBondContact O-N 2.62Å; Y329-S331 PolarHBondContact O-N 3.47Å; Y329-H332 PolarHBondContact O-N 2.85Å; Y329-H332 VanDerWaalsContact O-N 3.13Å; Y329-Y370 PolarHBondContact O-OH 2.89Å; Y329-E403 HydrophobicContact CE1-CB 4.36Å; Y329-F404 HydrophobicContact CD1-CB 4.48Å |
| 330 | T | 63.9 | Low | 81.3 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 41% | 0.405 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.7 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | D327 I357 P368 | D327-T330 PolarHBondContact O-OG1 3.36Å; T330-I357 WeakPolarHBondContact O-CG2 3.44Å; T330-P368 HydrophobicContact CG2-CB 3.66Å; T330-P368 HydrophobicContact CG2-CG 4.06Å |
| 331 | S | 76.3 | Confident | 81.7 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.6 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 115 | Y329 I357 | Y329-S331 PolarHBondContact O-N 3.47Å; S331-I357 WeakPolarHBondContact O-CD1 3.45Å |
| 332 | H | 85.4 | Confident | 82 | Confident | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -125.6 | 131.4 | -176.6 | -56.1 | 77.9 | 0 | 0 | 0 | 110.4 | H197 E199 Y329 Y370 | H197-H332 AromaticContact CD2-CD2 4Å; H197-H332 AromaticContact CD2-NE2 3.58Å; E199-H332 IonicContact OE1-CE1 3.91Å; E199-H332 PolarHBondContact OE1-CE1 3.48Å; E199-H332 IonicContact OE1-NE2 3.36Å; E199-H332 PolarHBondContact OE1-NE2 2.91Å; E199-H332 VanDerWaalsContact OE1-NE2 3.09Å; Y329-H332 PolarHBondContact O-N 2.85Å; Y329-H332 VanDerWaalsContact O-N 3.13Å; H332-Y370 PolarHBondContact O-OH 3.18Å |
| 333 | A | 89.3 | Confident | 82.1 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 37% | 0.372 | 20% | 0.203 | S | C | . | . | trans | -57.8 | 142.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T354 I355 | A333-T354 HydrophobicContact CB-CG2 4.26Å; A333-I355 CarbonylContact C-O 3.34Å; A333-I355 VanDerWaalsContact CA-O 3.24Å; A333-I355 WeakPolarHBondContact CA-O 3.31Å; A333-I355 WeakPolarHBondContact CB-O 3.46Å | ||
| 334 | G | 90.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 151.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T354 I355 V400 | G334-T354 CarbonylContact O-C 3.6Å; G334-T354 VanDerWaalsContact O-CA 3.31Å; G334-T354 WeakPolarHBondContact O-CA 3.42Å; G334-I355 PolarHBondContact N-O 3.21Å; G334-I355 PolarHBondContact O-N 3.41Å; G334-V400 CarbonylContact C-O 3.58Å |
| 335 | Y | 93.5 | Very high | 83.1 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.7 | 171.6 | 179 | -98.9 | 0 | 0 | 0 | 109.2 | R194 V337 S352 Q353 F399 V400 | R194-Y335 HydrophobicContact CB-CD1 4.31Å; R194-Y335 HydrophobicContact CB-CE1 4.29Å; R194-Y335 VanDerWaalsContact CD-CD1 3.48Å; Y335-V337 HydrophobicContact CD1-CG2 4.19Å; Y335-V337 HydrophobicContact CE1-CB 4.24Å; Y335-V337 HydrophobicContact CE1-CG2 3.19Å; Y335-V337 HydrophobicContact CE2-CG2 4.25Å; Y335-V337 WeakPolarHBondContact OH-CG2 3.25Å; Y335-S352 PolarHBondContact OH-OG 3.04Å; Y335-Q353 WeakPolarHBondContact CA-O 3.26Å; Y335-Q353 VanDerWaalsContact CD2-O 3.32Å; Y335-Q353 WeakPolarHBondContact CD2-O 3.43Å; Y335-F399 CarbonylContact O-C 3.55Å; Y335-F399 VanDerWaalsContact O-CA 3.3Å; Y335-F399 WeakPolarHBondContact O-CA 3.34Å; Y335-V400 PolarHBondContact N-O 2.93Å; Y335-V400 PolarHBondContact O-N 3.46Å |
| 336 | A | 94.8 | Very high | 84 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F338 S352 Q353 I372 I397 Q398 | A336-F338 HydrophobicContact CB-CE2 4.34Å; A336-S352 CarbonylContact O-C 3.55Å; A336-S352 WeakPolarHBondContact O-CA 3.46Å; A336-Q353 HydrophobicContact CB-CB 4.46Å; A336-Q353 PolarHBondContact N-O 2.78Å; A336-Q353 PolarHBondContact O-N 2.83Å; A336-I372 HydrophobicContact CB-CD1 3.79Å; A336-I372 HydrophobicContact CB-CG1 4.15Å; A336-I372 HydrophobicContact CB-CG2 4.42Å; A336-I397 HydrophobicContact CB-CG2 4.38Å; A336-Q398 CarbonylContact C-O 3.52Å; A336-Q398 VanDerWaalsContact CA-O 3.29Å; A336-Q398 WeakPolarHBondContact CA-O 3.48Å |
| 337 | V | 95.7 | Very high | 85.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.8 | 172.7 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | Y335 T339 V345 A351 I397 Q398 | Y335-V337 HydrophobicContact CD1-CG2 4.19Å; Y335-V337 HydrophobicContact CE1-CB 4.24Å; Y335-V337 HydrophobicContact CE1-CG2 3.19Å; Y335-V337 HydrophobicContact CE2-CG2 4.25Å; Y335-V337 WeakPolarHBondContact OH-CG2 3.25Å; V337-T339 HydrophobicContact CG1-CG2 4.1Å; V337-V345 HydrophobicContact CG1-CG1 4.16Å; V337-V345 HydrophobicContact CG1-CG2 3.76Å; V337-A351 CarbonylContact C-O 3.13Å; V337-A351 WeakPolarHBondContact CA-O 3.39Å; V337-I397 CarbonylContact O-C 3.51Å; V337-I397 VanDerWaalsContact O-CA 3.27Å; V337-I397 WeakPolarHBondContact O-CA 3.38Å; V337-Q398 PolarHBondContact N-O 3.34Å; V337-Q398 PolarHBondContact O-N 3.19Å |
| 338 | F | 95.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.1 | 177.9 | -64.6 | -106.1 | 0 | 0 | 0 | 109.9 | A318 A336 V345 S346 A351 I372 F375 D396 I397 F410 | A318-F338 HydrophobicContact CB-CE1 4.18Å; A336-F338 HydrophobicContact CB-CE2 4.34Å; F338-V345 WeakPolarHBondContact O-CA 3.47Å; F338-S346 PolarHBondContact O-N 3.43Å; F338-S346 VanDerWaalsContact O-N 3.08Å; F338-A351 HydrophobicContact CB-CB 4.4Å; F338-A351 PolarHBondContact N-O 2.98Å; F338-I372 HydrophobicContact CE2-CG2 3.88Å; F338-I372 HydrophobicContact CZ-CG2 3.71Å; F338-F375 HydrophobicContact CB-CD1 4.42Å; F338-F375 HydrophobicContact CB-CD2 4.31Å; F338-F375 HydrophobicContact CB-CE1 4.32Å; F338-F375 HydrophobicContact CB-CE2 4.22Å; F338-F375 HydrophobicContact CB-CG 4.4Å; F338-F375 HydrophobicContact CB-CZ 4.23Å; F338-F375 HydrophobicContact CD1-CB 3.83Å; F338-F375 AromaticContact CD1-CD1 3.47Å; F338-F375 HydrophobicContact CD1-CD1 3.47Å; F338-F375 VanDerWaalsContact CD1-CD1 3.47Å; F338-F375 HydrophobicContact CD1-CD2 4.28Å; F338-F375 HydrophobicContact CD1-CE1 4.07Å; F338-F375 AromaticContact CD1-CG 3.59Å; F338-F375 HydrophobicContact CD1-CG 3.59Å; F338-F375 HydrophobicContact CD2-CB 4.43Å; F338-F375 HydrophobicContact CD2-CG 4.4Å; F338-F375 HydrophobicContact CE1-CB 3.52Å; F338-F375 AromaticContact CE1-CD1 3.91Å; F338-F375 HydrophobicContact CE1-CD1 3.91Å; F338-F375 AromaticContact CE1-CG 3.84Å; F338-F375 HydrophobicContact CE1-CG 3.84Å; F338-F375 HydrophobicContact CE2-CB 4.17Å; F338-F375 HydrophobicContact CG-CB 4.27Å; F338-F375 HydrophobicContact CG-CD1 4.09Å; F338-F375 HydrophobicContact CG-CD2 4.13Å; F338-F375 HydrophobicContact CG-CE1 4.48Å; F338-F375 AromaticContact CG-CG 3.9Å; F338-F375 HydrophobicContact CG-CG 3.9Å; F338-F375 HydrophobicContact CZ-CB 3.71Å; F338-F375 HydrophobicContact CZ-CG 4.36Å; F338-D396 CarbonylContact C-O 3.35Å; F338-D396 WeakPolarHBondContact CA-O 3.49Å; F338-I397 HydrophobicContact CD1-CD1 4.01Å; F338-I397 HydrophobicContact CD1-CG1 3.64Å; F338-I397 HydrophobicContact CD2-CG2 4.5Å; F338-I397 HydrophobicContact CE1-CD1 3.36Å; F338-I397 HydrophobicContact CE1-CG1 3.53Å; F338-I397 HydrophobicContact CE1-CG2 4.25Å; F338-I397 HydrophobicContact CE2-CG2 4.22Å; F338-I397 HydrophobicContact CG-CG1 4.39Å; F338-I397 HydrophobicContact CZ-CD1 3.92Å; F338-I397 HydrophobicContact CZ-CG1 4.21Å; F338-I397 HydrophobicContact CZ-CG2 4.1Å; F338-F410 AromaticContact CD1-CE1 3.86Å; F338-F410 HydrophobicContact CD1-CE1 3.86Å; F338-F410 HydrophobicContact CD1-CZ 4.15Å; F338-F410 AromaticContact CE1-CE1 3.92Å; F338-F410 HydrophobicContact CE1-CE1 3.92Å; F338-F410 HydrophobicContact CE1-CZ 4.38Å |
| 339 | T | 94.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.5 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | V337 A344 V345 Y395 D396 | V337-T339 HydrophobicContact CG1-CG2 4.1Å; T339-A344 CarbonylContact C-O 3.48Å; T339-A344 WeakPolarHBondContact CA-O 3.35Å; T339-A344 WeakPolarHBondContact CB-O 3.4Å; T339-V345 HydrophobicContact CG2-CG2 4.18Å; T339-Y395 WeakPolarHBondContact O-CA 3.38Å; T339-D396 PolarHBondContact N-O 2.7Å; T339-D396 PolarHBondContact O-N 3.12Å; T339-D396 PolarHBondContact OG1-O 3.06Å |
| 340 | D | 92.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 27.7 Ų | 27.7 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 173.3 | 173.1 | 70.5 | 21.8 | 0 | 0 | 0 | 111.6 | R177 T342 G343 A344 Y395 | R177-D340 PolarHBondContact NE-O 3.42Å; R177-D340 PolarHBondContact NH2-O 3.31Å; D340-T342 PolarHBondContact O-N 2.03Å; D340-T342 WeakPolarHBondContact OD1-CA 3.39Å; D340-T342 WeakPolarHBondContact OD1-CB 3.3Å; D340-T342 PolarHBondContact OD1-N 2.83Å; D340-T342 PolarHBondContact OD1-OG1 3.15Å; D340-G343 PolarHBondContact O-N 3.02Å; D340-G343 PolarHBondContact OD1-N 3Å; D340-A344 PolarHBondContact N-O 3.11Å; D340-A344 PolarHBondContact OD1-N 3.35Å; D340-Y395 HydrophobicContact CB-CD1 4.21Å; D340-Y395 HydrophobicContact CB-CE1 3.81Å |
| 341 | C | 91.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -12.2 | -178.1 | 74.4 | 0 | 0 | 0 | 0 | 115.8 | R177 C387 T391 E392 K394 | R177-C341 VanDerWaalsContact CD-O 3.23Å; R177-C341 WeakPolarHBondContact CD-O 3.36Å; R177-C341 PolarHBondContact NE-O 2.94Å; R177-C341 VanDerWaalsContact NH2-CA 3.29Å; C341-C387 HydrophobicContact CB-CB 3.78Å; C341-C387 WeakPolarHBondContact CB-SG 3.43Å; C341-C387 PolarHBondContact O-SG 3.4Å; C341-C387 VanDerWaalsContact O-SG 3.36Å; C341-C387 WeakPolarHBondContact SG-CB 3.03Å; C341-C387 CovalentContact SG-SG 2.03Å; C341-C387 PolarHBondContact SG-SG 2.83Å; C341-T391 WeakPolarHBondContact CB-O 3.21Å; C341-E392 PolarHBondContact SG-O 3.02Å; C341-E392 VanDerWaalsContact SG-O 3.38Å; C341-K394 PolarHBondContact N-O 2.83Å |
| 342 | T | 89.7 | Confident | 92.1 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 15% | 0.153 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -10.1 | 174.2 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | Q189 D340 A344 S383 | Q189-T342 VanDerWaalsContact O-O 3.07Å; D340-T342 PolarHBondContact O-N 2.03Å; D340-T342 WeakPolarHBondContact OD1-CA 3.39Å; D340-T342 WeakPolarHBondContact OD1-CB 3.3Å; D340-T342 PolarHBondContact OD1-N 2.83Å; D340-T342 PolarHBondContact OD1-OG1 3.15Å; T342-A344 VanDerWaalsContact C-N 3.32Å; T342-A344 PolarHBondContact OG1-N 2.88Å; T342-S383 WeakPolarHBondContact CG2-O 3.21Å |
| 343 | G | 89.7 | Confident | 92.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 86.7 | 1.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q189 I190 G191 D340 | Q189-G343 WeakPolarHBondContact CG-O 2.94Å; Q189-G343 PolarHBondContact NE2-O 3.41Å; I190-G343 WeakPolarHBondContact O-CA 3.43Å; G191-G343 VanDerWaalsContact CA-O 3.26Å; G191-G343 WeakPolarHBondContact CA-O 3.43Å; D340-G343 PolarHBondContact O-N 3.02Å; D340-G343 PolarHBondContact OD1-N 3Å |
| 344 | A | 89.6 | Confident | 92.5 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 26% | 0.264 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 141.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T339 D340 T342 S346 | T339-A344 CarbonylContact C-O 3.48Å; T339-A344 WeakPolarHBondContact CA-O 3.35Å; T339-A344 WeakPolarHBondContact CB-O 3.4Å; D340-A344 PolarHBondContact N-O 3.11Å; D340-A344 PolarHBondContact OD1-N 3.35Å; T342-A344 VanDerWaalsContact C-N 3.32Å; T342-A344 PolarHBondContact OG1-N 2.88Å; A344-S346 PolarHBondContact O-N 2.94Å |
| 345 | V | 93.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 26% | 0.255 | 15% | 0.148 | S | C | . | . | B | Isolated β-bridge | trans | -66.4 | 130.2 | 168.1 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | K192 V337 F338 T339 A351 | K192-V345 HydrophobicContact CD-CG2 4.02Å; K192-V345 HydrophobicContact CG-CG2 4.37Å; V337-V345 HydrophobicContact CG1-CG1 4.16Å; V337-V345 HydrophobicContact CG1-CG2 3.76Å; F338-V345 WeakPolarHBondContact O-CA 3.47Å; T339-V345 HydrophobicContact CG2-CG2 4.18Å; V345-A351 HydrophobicContact CG1-CB 4.18Å |
| 346 | S | 92.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 140.8 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | F338 A344 K348 A351 F375 | F338-S346 PolarHBondContact O-N 3.43Å; F338-S346 VanDerWaalsContact O-N 3.08Å; A344-S346 PolarHBondContact O-N 2.94Å; S346-K348 PolarHBondContact OG-N 3.42Å; S346-A351 WeakPolarHBondContact O-CB 3.36Å; S346-F375 WeakPolarHBondContact OG-CE2 3.19Å; S346-F375 WeakPolarHBondContact OG-CZ 3.41Å |
| 347 | S | 90.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 28.6 Ų | 28.6 | 52% | 0.524 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -83.3 | -1.9 | 175 | 63 | 0 | 0 | 0 | 0 | 113.3 | N429 | S347-N429 WeakPolarHBondContact CB-OD1 3.26Å; S347-N429 PolarHBondContact OG-OD1 3.3Å; S347-N429 VanDerWaalsContact OG-OD1 3.12Å |
| 348 | K | 92.2 | Very high | 91.1 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -72 | 161.6 | 173.7 | -68 | -166.4 | 175.3 | -169.7 | 0 | 111.8 | S346 A351 F375 F376 C377 D378 N429 G430 N431 | S346-K348 PolarHBondContact OG-N 3.42Å; K348-A351 WeakPolarHBondContact O-CB 3.28Å; K348-A351 PolarHBondContact O-N 2.82Å; K348-F375 HydrophobicContact CB-CE2 3.96Å; K348-F376 WeakPolarHBondContact CD-O 3.49Å; K348-F376 PolarHBondContact NZ-O 3.41Å; K348-C377 PolarHBondContact NZ-O 2.65Å; K348-D378 WeakPolarHBondContact CE-OD1 3.36Å; K348-D378 WeakPolarHBondContact CE-OD2 3.38Å; K348-D378 IonicContact NZ-OD1 3.59Å; K348-D378 PolarHBondContact NZ-OD1 2.68Å; K348-D378 IonicContact NZ-OD2 2.75Å; K348-N429 WeakPolarHBondContact CG-O 3.45Å; K348-G430 WeakPolarHBondContact CE-O 3.31Å; K348-N431 VanDerWaalsContact CA-OD1 3.25Å; K348-N431 WeakPolarHBondContact CA-OD1 3.45Å; K348-N431 WeakPolarHBondContact CB-OD1 3.11Å |
| 349 | Y | 91.5 | Very high | 90.6 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 148.5 | 174.2 | -69.7 | -48.5 | 0 | 0 | 0 | 112.7 | A351 N431 Y433 | Y349-A351 PolarHBondContact O-N 3.22Å; Y349-N431 HydrophobicContact CD2-CB 3.56Å; Y349-N431 WeakPolarHBondContact CD2-OD1 3.36Å; Y349-N431 HydrophobicContact CE2-CB 3.64Å; Y349-N431 HydrophobicContact CG-CB 4.46Å; Y349-N431 PolarHBondContact N-OD1 3.48Å; Y349-Y433 HydrophobicContact CE2-CD1 4.47Å; Y349-Y433 AromaticContact CE2-CE1 3.64Å; Y349-Y433 HydrophobicContact CE2-CE1 3.64Å; Y349-Y433 HydrophobicContact CE2-CE2 4.29Å; Y349-Y433 AromaticContact CE2-CZ 3.51Å; Y349-Y433 WeakPolarHBondContact CE2-OH 3.36Å; Y349-Y433 AromaticContact CZ-CE1 3.69Å; Y349-Y433 AromaticContact CZ-CZ 3.61Å; Y349-Y433 WeakPolarHBondContact OH-CE1 3.24Å; Y349-Y433 PolarHBondContact OH-OH 2.86Å |
| 350 | D | 92 | Very high | 90 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 17.5 | 176.7 | -35.5 | -61 | 0 | 0 | 0 | 114.5 | S352 Q353 V373 R443 | D350-S352 PolarHBondContact O-N 2.78Å; D350-Q353 HydrophobicContact CB-CG 3.93Å; D350-Q353 VanDerWaalsContact CB-NE2 3.34Å; D350-Q353 WeakPolarHBondContact O-CG 2.98Å; D350-Q353 PolarHBondContact O-NE2 2.99Å; D350-V373 HydrophobicContact CB-CB 4.33Å; D350-V373 HydrophobicContact CB-CG1 4.31Å; D350-R443 IonicContact OD1-CZ 3.7Å; D350-R443 IonicContact OD1-NH2 3.88Å; D350-R443 PolarHBondContact OD1-NH2 2.95Å; D350-R443 IonicContact OD2-CZ 3.75Å; D350-R443 IonicContact OD2-NH1 3.13Å; D350-R443 PolarHBondContact OD2-NH1 2.87Å; D350-R443 IonicContact OD2-NH2 3.23Å; D350-R443 PolarHBondContact OD2-NH2 2.82Å |
| 351 | A | 93.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -65.2 | -16.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V337 F338 V345 S346 K348 Y349 F375 | V337-A351 CarbonylContact C-O 3.13Å; V337-A351 WeakPolarHBondContact CA-O 3.39Å; F338-A351 HydrophobicContact CB-CB 4.4Å; F338-A351 PolarHBondContact N-O 2.98Å; V345-A351 HydrophobicContact CG1-CB 4.18Å; S346-A351 WeakPolarHBondContact O-CB 3.36Å; K348-A351 WeakPolarHBondContact O-CB 3.28Å; K348-A351 PolarHBondContact O-N 2.82Å; Y349-A351 PolarHBondContact O-N 3.22Å; A351-F375 HydrophobicContact CB-CD2 4.31Å; A351-F375 HydrophobicContact CB-CE2 3.88Å |
| 352 | S | 94.3 | Very high | 88.4 | Confident | 68 Ų | 68 | 41.4 Ų | 41.4 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 120.3 | 172.4 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | Y335 A336 D350 | Y335-S352 PolarHBondContact OH-OG 3.04Å; A336-S352 CarbonylContact O-C 3.55Å; A336-S352 WeakPolarHBondContact O-CA 3.46Å; D350-S352 PolarHBondContact O-N 2.78Å |
| 353 | Q | 92.9 | Very high | 87.3 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.9 | -175 | -51.1 | -178.6 | 28.3 | 0 | 0 | 109.5 | Y335 A336 D350 I372 V373 | Y335-Q353 WeakPolarHBondContact CA-O 3.26Å; Y335-Q353 VanDerWaalsContact CD2-O 3.32Å; Y335-Q353 WeakPolarHBondContact CD2-O 3.43Å; A336-Q353 HydrophobicContact CB-CB 4.46Å; A336-Q353 PolarHBondContact N-O 2.78Å; A336-Q353 PolarHBondContact O-N 2.83Å; D350-Q353 HydrophobicContact CB-CG 3.93Å; D350-Q353 VanDerWaalsContact CB-NE2 3.34Å; D350-Q353 WeakPolarHBondContact O-CG 2.98Å; D350-Q353 PolarHBondContact O-NE2 2.99Å; Q353-I372 VanDerWaalsContact NE2-CG2 3.32Å; Q353-I372 VanDerWaalsContact OE1-CG2 3.3Å; Q353-V373 PolarHBondContact NE2-O 2.86Å |
| 354 | T | 91.3 | Very high | 85.5 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.8 | 165.1 | -58.7 | 0 | 0 | 0 | 0 | 105.7 | A333 G334 P356 | A333-T354 HydrophobicContact CB-CG2 4.26Å; G334-T354 CarbonylContact O-C 3.6Å; G334-T354 VanDerWaalsContact O-CA 3.31Å; G334-T354 WeakPolarHBondContact O-CA 3.42Å; T354-P356 WeakPolarHBondContact O-CD 3.18Å |
| 355 | I | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 104.5 | 177.5 | -54.8 | 94.3 | 0 | 0 | 0 | 106.9 | A333 G334 I360 Y370 I372 F399 | A333-I355 CarbonylContact C-O 3.34Å; A333-I355 VanDerWaalsContact CA-O 3.24Å; A333-I355 WeakPolarHBondContact CA-O 3.31Å; A333-I355 WeakPolarHBondContact CB-O 3.46Å; G334-I355 PolarHBondContact N-O 3.21Å; G334-I355 PolarHBondContact O-N 3.41Å; I355-I360 HydrophobicContact CG2-CG1 4.44Å; I355-Y370 HydrophobicContact CB-CD1 4.49Å; I355-Y370 HydrophobicContact CG2-CD1 4.48Å; I355-I372 HydrophobicContact CD1-CG1 4.15Å; I355-F399 HydrophobicContact CD1-CE2 4.49Å |
| 356 | P | 87.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 55 Ų | 55 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | trans | -63.5 | 155.1 | 178.7 | -15.4 | 28 | 0 | 0 | 0 | 111.1 | T354 D358 Y359 E459 | T354-P356 WeakPolarHBondContact O-CD 3.18Å; P356-D358 PolarHBondContact O-N 2.96Å; P356-Y359 HydrophobicContact CB-CD2 3.89Å; P356-Y359 HydrophobicContact CB-CE2 4.37Å; P356-Y359 HydrophobicContact CG-CD2 3.78Å; P356-Y359 HydrophobicContact CG-CE2 4.12Å; P356-Y359 PolarHBondContact O-N 3.24Å; P356-E459 WeakPolarHBondContact CD-OE1 3.28Å | ||
| 357 | I | 85.6 | Confident | 81.4 | Confident | 77 Ų | 77 | 57 Ų | 57 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -55.1 | -39.3 | -177.6 | -68 | 159.9 | 0 | 0 | 0 | 111.8 | T330 S331 Y359 I360 | T330-I357 WeakPolarHBondContact O-CG2 3.44Å; S331-I357 WeakPolarHBondContact O-CD1 3.45Å; I357-Y359 PolarHBondContact O-N 3.48Å; I357-Y359 VanDerWaalsContact O-N 3.12Å; I357-I360 HydrophobicContact CG1-CD1 4.49Å; I357-I360 WeakPolarHBondContact O-CB 3.23Å; I357-I360 PolarHBondContact O-N 3.48Å |
| 358 | D | 83.5 | Confident | 80.7 | Confident | 147 Ų | 147 | 53.5 Ų | 53.5 | 79% | 0.786 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66.4 | -14.1 | -176.7 | -58.9 | -27.8 | 0 | 0 | 0 | 113.8 | P356 | P356-D358 PolarHBondContact O-N 2.96Š|
| 359 | Y | 84.1 | Confident | 80.3 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -105.3 | 2.7 | 177.1 | -60.9 | -82.5 | 0 | 0 | 0 | 112.9 | P356 I357 E459 D461 I469 V471 | P356-Y359 HydrophobicContact CB-CD2 3.89Å; P356-Y359 HydrophobicContact CB-CE2 4.37Å; P356-Y359 HydrophobicContact CG-CD2 3.78Å; P356-Y359 HydrophobicContact CG-CE2 4.12Å; P356-Y359 PolarHBondContact O-N 3.24Å; I357-Y359 PolarHBondContact O-N 3.48Å; I357-Y359 VanDerWaalsContact O-N 3.12Å; Y359-E459 HydrophobicContact CD1-CB 3.85Å; Y359-E459 HydrophobicContact CD1-CG 4.43Å; Y359-E459 HydrophobicContact CD2-CB 4.32Å; Y359-E459 HydrophobicContact CD2-CG 4.01Å; Y359-E459 HydrophobicContact CE1-CB 3.93Å; Y359-E459 HydrophobicContact CE1-CG 4.49Å; Y359-E459 HydrophobicContact CE2-CB 4.4Å; Y359-E459 HydrophobicContact CE2-CG 4.08Å; Y359-E459 HydrophobicContact CG-CB 4.06Å; Y359-E459 HydrophobicContact CG-CG 4.2Å; Y359-D461 HydrophobicContact CE1-CB 4.33Å; Y359-I469 HydrophobicContact CE1-CD1 4.41Å; Y359-V471 HydrophobicContact CE2-CG2 4.24Å; Y359-V471 VanDerWaalsContact OH-CG2 3.27Å; Y359-V471 WeakPolarHBondContact OH-CG2 3.38Å |
| 360 | I | 82.4 | Confident | 80 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | trans | -79.9 | 131 | 169.4 | -55.1 | 170.3 | 0 | 0 | 0 | 107.8 | I355 I357 P368 H369 Y370 | I355-I360 HydrophobicContact CG2-CG1 4.44Å; I357-I360 HydrophobicContact CG1-CD1 4.49Å; I357-I360 WeakPolarHBondContact O-CB 3.23Å; I357-I360 PolarHBondContact O-N 3.48Å; I360-P368 HydrophobicContact CG2-CB 3.82Å; I360-H369 WeakPolarHBondContact CG2-O 3.45Å; I360-Y370 HydrophobicContact CD1-CD1 3.99Å; I360-Y370 HydrophobicContact CD1-CE1 3.29Å; I360-Y370 HydrophobicContact CG1-CD1 3.94Å; I360-Y370 HydrophobicContact CG1-CE1 3.77Å | ||
| 361 | F | 77.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 163.4 | 177.7 | 68.4 | -79.8 | 0 | 0 | 0 | 111.2 | M304 P368 H369 P371 F462 | M304-F361 HydrophobicContact CE-CE2 4.26Å; F361-P368 CarbonylContact O-C 3.53Å; F361-P368 WeakPolarHBondContact O-CA 3.4Å; F361-H369 HydrophobicContact CD1-CB 3.87Å; F361-H369 HydrophobicContact CD2-CB 4Å; F361-H369 HydrophobicContact CE1-CB 3.45Å; F361-H369 VanDerWaalsContact CE1-CB 3.45Å; F361-H369 HydrophobicContact CE2-CB 3.63Å; F361-H369 AromaticContact CE2-CD2 3.95Å; F361-H369 AromaticContact CE2-CG 3.86Å; F361-H369 HydrophobicContact CG-CB 4.14Å; F361-H369 HydrophobicContact CZ-CB 3.36Å; F361-H369 AromaticContact CZ-CG 3.94Å; F361-H369 PolarHBondContact N-O 3.48Å; F361-H369 PolarHBondContact O-N 3.45Å; F361-P371 HydrophobicContact CD1-CG 4.42Å; F361-P371 HydrophobicContact CE1-CB 4.18Å; F361-P371 HydrophobicContact CE1-CG 4.2Å; F361-F462 HydrophobicContact CB-CB 4.45Å; F361-F462 HydrophobicContact CB-CD2 4.2Å; F361-F462 HydrophobicContact CB-CG 4.13Å; F361-F462 HydrophobicContact CD1-CD1 4.17Å; F361-F462 AromaticContact CD1-CD2 3.36Å; F361-F462 HydrophobicContact CD1-CD2 3.36Å; F361-F462 AromaticContact CD1-CE1 3.96Å; F361-F462 HydrophobicContact CD1-CE1 3.96Å; F361-F462 AromaticContact CD1-CE2 3.12Å; F361-F462 HydrophobicContact CD1-CE2 3.12Å; F361-F462 AromaticContact CD1-CG 3.91Å; F361-F462 HydrophobicContact CD1-CG 3.91Å; F361-F462 AromaticContact CD1-CZ 3.46Å; F361-F462 HydrophobicContact CD1-CZ 3.46Å; F361-F462 VanDerWaalsContact CD1-CZ 3.46Å; F361-F462 HydrophobicContact CD2-CD1 4.36Å; F361-F462 HydrophobicContact CD2-CE1 4.24Å; F361-F462 HydrophobicContact CD2-CZ 4.47Å; F361-F462 HydrophobicContact CE1-CD1 4.43Å; F361-F462 AromaticContact CE1-CD2 3.88Å; F361-F462 HydrophobicContact CE1-CD2 3.88Å; F361-F462 AromaticContact CE1-CE1 3.76Å; F361-F462 HydrophobicContact CE1-CE1 3.76Å; F361-F462 AromaticContact CE1-CE2 3.11Å; F361-F462 HydrophobicContact CE1-CE2 3.11Å; F361-F462 HydrophobicContact CE1-CG 4.49Å; F361-F462 AromaticContact CE1-CZ 3.05Å; F361-F462 HydrophobicContact CE1-CZ 3.05Å; F361-F462 HydrophobicContact CE2-CE1 4.04Å; F361-F462 HydrophobicContact CE2-CZ 4.14Å; F361-F462 HydrophobicContact CG-CD1 4.12Å; F361-F462 AromaticContact CG-CD2 3.92Å; F361-F462 HydrophobicContact CG-CD2 3.92Å; F361-F462 HydrophobicContact CG-CE1 4.19Å; F361-F462 HydrophobicContact CG-CE2 4.01Å; F361-F462 HydrophobicContact CG-CG 4Å; F361-F462 HydrophobicContact CG-CZ 4.16Å; F361-F462 AromaticContact CZ-CE1 3.77Å; F361-F462 HydrophobicContact CZ-CE1 3.77Å; F361-F462 AromaticContact CZ-CE2 3.97Å; F361-F462 HydrophobicContact CZ-CE2 3.97Å; F361-F462 AromaticContact CZ-CZ 3.41Å; F361-F462 HydrophobicContact CZ-CZ 3.41Å; F361-F462 VanDerWaalsContact CZ-CZ 3.41Å |
| 362 | A | 72.6 | Confident | 79.5 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F367 | A362-F367 WeakPolarHBondContact CA-O 3.41Å |
| 363 | D | 65.9 | Low | 79.3 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 160.2 | 170.7 | -65.6 | -6.4 | 0 | 0 | 0 | 109.9 | R321 G365 S366 H369 | R321-D363 IonicContact CZ-OD2 3.9Å; R321-D363 VanDerWaalsContact NH2-CG 3.34Å; R321-D363 IonicContact NH2-OD1 3.49Å; R321-D363 PolarHBondContact NH2-OD1 2.73Å; R321-D363 IonicContact NH2-OD2 3.94Å; R321-D363 PolarHBondContact NH2-OD2 3.09Å; D363-G365 PolarHBondContact O-N 3.4Å; D363-S366 PolarHBondContact O-N 2.79Å; D363-H369 IonicContact OD1-CD2 3.48Å; D363-H369 IonicContact OD1-NE2 3.09Å; D363-H369 IonicContact OD2-CE1 2.65Å; D363-H369 IonicContact OD2-NE2 3.74Å; D363-H369 PolarHBondContact OD2-NE2 2.89Å |
| 364 | E | 51.9 | Low | 79.2 | Confident | 211 Ų | 211 | 45.5 Ų | 45.5 | 99% | 0.986 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 105.5 | 167.7 | -77 | -172.7 | 157 | 0 | 0 | 109.5 | ||
| 365 | G | 56.3 | Low | 79.3 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 129.6 | 1.6 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | D363 | D363-G365 PolarHBondContact O-N 3.4Š|
| 366 | S | 62.7 | Low | 79.5 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 38.9 | 162.4 | -24.3 | 0 | 0 | 0 | 0 | 116.8 | D363 | D363-S366 PolarHBondContact O-N 2.79Š|
| 367 | F | 71 | Confident | 79.8 | Confident | 59 Ų | 59 | 41 Ų | 41 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.5 | 172.6 | -61.4 | -61.3 | 0 | 0 | 0 | 111.2 | K323 M325 A362 H369 | K323-F367 HydrophobicContact CD-CB 4.17Å; K323-F367 HydrophobicContact CD-CG 4.43Å; K323-F367 HydrophobicContact CG-CB 3.8Å; K323-F367 HydrophobicContact CG-CG 4.39Å; M325-F367 HydrophobicContact CB-CD1 4.14Å; M325-F367 HydrophobicContact CB-CE1 3.85Å; M325-F367 HydrophobicContact CG-CD1 3.75Å; M325-F367 HydrophobicContact CG-CE1 3.41Å; M325-F367 VanDerWaalsContact CG-CE1 3.41Å; M325-F367 HydrophobicContact CG-CZ 4.13Å; M325-F367 HydrophobicContact SD-CE1 4.08Å; M325-F367 HydrophobicContact SD-CZ 4.26Å; A362-F367 WeakPolarHBondContact CA-O 3.41Å; F367-H369 PolarHBondContact O-CD2 2.9Å; F367-H369 PolarHBondContact O-NE2 2.87Å |
| 368 | P | 77.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 136.9 | 172.9 | 22.6 | -32.1 | 0 | 0 | 0 | 112 | L324 T330 I360 F361 Y370 | L324-P368 HydrophobicContact CB-CG 4.32Å; L324-P368 PolarHBondContact N-O 3.34Å; L324-P368 WeakPolarHBondContact O-CD 3.09Å; T330-P368 HydrophobicContact CG2-CB 3.66Å; T330-P368 HydrophobicContact CG2-CG 4.06Å; I360-P368 HydrophobicContact CG2-CB 3.82Å; F361-P368 CarbonylContact O-C 3.53Å; F361-P368 WeakPolarHBondContact O-CA 3.4Å; P368-Y370 HydrophobicContact CB-CE2 4.25Å |
| 369 | H | 82.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.4 | 176.9 | -67.7 | -78.3 | 0 | 0 | 0 | 109.9 | R321 M322 K323 I360 F361 D363 F367 P371 | R321-H369 VanDerWaalsContact CZ-ND1 3.34Å; R321-H369 PolarHBondContact NE-ND1 2.88Å; R321-H369 PolarHBondContact NH2-CE1 3.14Å; R321-H369 PolarHBondContact NH2-ND1 3.44Å; R321-H369 VanDerWaalsContact NH2-ND1 3.16Å; R321-H369 PolarHBondContact NH2-NE2 2.82Å; R321-H369 VanDerWaalsContact NH2-NE2 3.18Å; M322-H369 WeakPolarHBondContact O-CA 3.49Å; K323-H369 VanDerWaalsContact CG-CE1 3.43Å; K323-H369 WeakPolarHBondContact CG-CE1 3.34Å; I360-H369 WeakPolarHBondContact CG2-O 3.45Å; F361-H369 HydrophobicContact CD1-CB 3.87Å; F361-H369 HydrophobicContact CD2-CB 4Å; F361-H369 HydrophobicContact CE1-CB 3.45Å; F361-H369 VanDerWaalsContact CE1-CB 3.45Å; F361-H369 HydrophobicContact CE2-CB 3.63Å; F361-H369 AromaticContact CE2-CD2 3.95Å; F361-H369 AromaticContact CE2-CG 3.86Å; F361-H369 HydrophobicContact CG-CB 4.14Å; F361-H369 HydrophobicContact CZ-CB 3.36Å; F361-H369 AromaticContact CZ-CG 3.94Å; F361-H369 PolarHBondContact N-O 3.48Å; F361-H369 PolarHBondContact O-N 3.45Å; D363-H369 IonicContact OD1-CD2 3.48Å; D363-H369 IonicContact OD1-NE2 3.09Å; D363-H369 IonicContact OD2-CE1 2.65Å; D363-H369 IonicContact OD2-NE2 3.74Å; D363-H369 PolarHBondContact OD2-NE2 2.89Å; F367-H369 PolarHBondContact O-CD2 2.9Å; F367-H369 PolarHBondContact O-NE2 2.87Å; H369-P371 VanDerWaalsContact O-CD 3.25Å; H369-P371 WeakPolarHBondContact O-CD 2.99Å |
| 370 | Y | 86.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 103.1 | 174.3 | -64.7 | -101.1 | 0 | 0 | 0 | 108.5 | M322 L324 Y329 H332 I355 I360 P368 I372 F399 A401 | M322-Y370 PolarHBondContact N-O 3.27Å; M322-Y370 PolarHBondContact O-N 3.19Å; L324-Y370 HydrophobicContact CD1-CD2 4.36Å; L324-Y370 HydrophobicContact CD1-CE2 3.67Å; L324-Y370 HydrophobicContact CG-CD2 4.49Å; L324-Y370 HydrophobicContact CG-CE2 4.13Å; Y329-Y370 PolarHBondContact O-OH 2.89Å; H332-Y370 PolarHBondContact O-OH 3.18Å; I355-Y370 HydrophobicContact CB-CD1 4.49Å; I355-Y370 HydrophobicContact CG2-CD1 4.48Å; I360-Y370 HydrophobicContact CD1-CD1 3.99Å; I360-Y370 HydrophobicContact CD1-CE1 3.29Å; I360-Y370 HydrophobicContact CG1-CD1 3.94Å; I360-Y370 HydrophobicContact CG1-CE1 3.77Å; P368-Y370 HydrophobicContact CB-CE2 4.25Å; Y370-I372 PolarHBondContact O-N 3.14Å; Y370-F399 HydrophobicContact CD1-CE2 4.08Å; Y370-F399 AromaticContact CD1-CZ 3.79Å; Y370-F399 HydrophobicContact CD1-CZ 3.79Å; Y370-F399 AromaticContact CD2-CZ 3.74Å; Y370-F399 HydrophobicContact CD2-CZ 3.74Å; Y370-F399 HydrophobicContact CE1-CZ 4.25Å; Y370-F399 HydrophobicContact CE2-CZ 4.24Å; Y370-F399 AromaticContact CG-CE2 3.94Å; Y370-F399 HydrophobicContact CG-CE2 3.94Å; Y370-F399 AromaticContact CG-CZ 3.49Å; Y370-F399 HydrophobicContact CG-CZ 3.49Å; Y370-F399 VanDerWaalsContact CG-CZ 3.49Å; Y370-A401 HydrophobicContact CE1-CB 3.88Å; Y370-A401 HydrophobicContact CE2-CB 4.38Å |
| 371 | P | 84.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 115 | 175.5 | 33.1 | -37.3 | 0 | 0 | 0 | 109.7 | F361 H369 F462 | F361-P371 HydrophobicContact CD1-CG 4.42Å; F361-P371 HydrophobicContact CE1-CB 4.18Å; F361-P371 HydrophobicContact CE1-CG 4.2Å; H369-P371 VanDerWaalsContact O-CD 3.25Å; H369-P371 WeakPolarHBondContact O-CD 2.99Å; P371-F462 HydrophobicContact CB-CE2 3.87Å; P371-F462 HydrophobicContact CB-CZ 4.37Å; P371-F462 HydrophobicContact CG-CE2 3.75Å |
| 372 | I | 88.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 131.5 | 172.7 | -67.1 | 165.3 | 0 | 0 | 0 | 108.3 | L320 A336 F338 Q353 I355 Y370 F399 | L320-I372 HydrophobicContact CB-CB 4.21Å; L320-I372 HydrophobicContact CB-CD1 3.64Å; L320-I372 HydrophobicContact CB-CG1 4.44Å; L320-I372 HydrophobicContact CD2-CD1 3.65Å; L320-I372 HydrophobicContact CG-CD1 3.82Å; L320-I372 VanDerWaalsContact O-CB 3.23Å; L320-I372 WeakPolarHBondContact O-CB 3.26Å; L320-I372 WeakPolarHBondContact O-CG1 3.29Å; L320-I372 PolarHBondContact O-N 2.82Å; L320-I372 VanDerWaalsContact O-N 3.1Å; A336-I372 HydrophobicContact CB-CD1 3.79Å; A336-I372 HydrophobicContact CB-CG1 4.15Å; A336-I372 HydrophobicContact CB-CG2 4.42Å; F338-I372 HydrophobicContact CE2-CG2 3.88Å; F338-I372 HydrophobicContact CZ-CG2 3.71Å; Q353-I372 VanDerWaalsContact NE2-CG2 3.32Å; Q353-I372 VanDerWaalsContact OE1-CG2 3.3Å; I355-I372 HydrophobicContact CD1-CG1 4.15Å; Y370-I372 PolarHBondContact O-N 3.14Å; I372-F399 HydrophobicContact CD1-CD2 4.13Å |
| 373 | V | 90.5 | Very high | 81.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 136.4 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | D350 Q353 F375 I449 V458 Y468 | D350-V373 HydrophobicContact CB-CB 4.33Å; D350-V373 HydrophobicContact CB-CG1 4.31Å; Q353-V373 PolarHBondContact NE2-O 2.86Å; V373-F375 PolarHBondContact O-N 2.8Å; V373-F375 VanDerWaalsContact O-N 3.12Å; V373-I449 HydrophobicContact CG1-CG2 4.48Å; V373-V458 HydrophobicContact CG1-CB 4.1Å; V373-V458 HydrophobicContact CG1-CG1 3.87Å; V373-V458 HydrophobicContact CG2-CB 4.04Å; V373-V458 HydrophobicContact CG2-CG1 3.88Å; V373-V458 VanDerWaalsContact CG2-O 3.26Å; V373-V458 WeakPolarHBondContact CG2-O 3.48Å; V373-Y468 HydrophobicContact CG2-CE1 4.49Å |
| 374 | P | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -54 | 119.1 | -178.6 | -23.8 | 29.3 | 0 | 0 | 0 | 112.4 | L300 A319 F376 I449 Y468 | L300-P374 HydrophobicContact CD1-CB 3.78Å; L300-P374 HydrophobicContact CD1-CG 3.59Å; L300-P374 HydrophobicContact CG-CG 3.87Å; A319-P374 HydrophobicContact CB-CB 4.18Å; A319-P374 HydrophobicContact CB-CG 3.88Å; P374-F376 HydrophobicContact CB-CZ 4.24Å; P374-I449 HydrophobicContact CG-CD1 4.11Å; P374-Y468 WeakPolarHBondContact CD-OH 3.19Å; P374-Y468 HydrophobicContact CG-CE2 4.36Å |
| 375 | F | 93.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 111.8 | 172.7 | 171 | -100.5 | 0 | 0 | 0 | 110.5 | G317 A318 F338 S346 K348 A351 V373 C377 Y395 F410 | G317-F375 CarbonylContact C-O 3.56Å; G317-F375 WeakPolarHBondContact CA-O 3.4Å; A318-F375 PolarHBondContact N-O 2.76Å; A318-F375 PolarHBondContact O-N 2.93Å; A318-F375 VanDerWaalsContact O-N 3.16Å; F338-F375 HydrophobicContact CB-CD1 4.42Å; F338-F375 HydrophobicContact CB-CD2 4.31Å; F338-F375 HydrophobicContact CB-CE1 4.32Å; F338-F375 HydrophobicContact CB-CE2 4.22Å; F338-F375 HydrophobicContact CB-CG 4.4Å; F338-F375 HydrophobicContact CB-CZ 4.23Å; F338-F375 HydrophobicContact CD1-CB 3.83Å; F338-F375 AromaticContact CD1-CD1 3.47Å; F338-F375 HydrophobicContact CD1-CD1 3.47Å; F338-F375 VanDerWaalsContact CD1-CD1 3.47Å; F338-F375 HydrophobicContact CD1-CD2 4.28Å; F338-F375 HydrophobicContact CD1-CE1 4.07Å; F338-F375 AromaticContact CD1-CG 3.59Å; F338-F375 HydrophobicContact CD1-CG 3.59Å; F338-F375 HydrophobicContact CD2-CB 4.43Å; F338-F375 HydrophobicContact CD2-CG 4.4Å; F338-F375 HydrophobicContact CE1-CB 3.52Å; F338-F375 AromaticContact CE1-CD1 3.91Å; F338-F375 HydrophobicContact CE1-CD1 3.91Å; F338-F375 AromaticContact CE1-CG 3.84Å; F338-F375 HydrophobicContact CE1-CG 3.84Å; F338-F375 HydrophobicContact CE2-CB 4.17Å; F338-F375 HydrophobicContact CG-CB 4.27Å; F338-F375 HydrophobicContact CG-CD1 4.09Å; F338-F375 HydrophobicContact CG-CD2 4.13Å; F338-F375 HydrophobicContact CG-CE1 4.48Å; F338-F375 AromaticContact CG-CG 3.9Å; F338-F375 HydrophobicContact CG-CG 3.9Å; F338-F375 HydrophobicContact CZ-CB 3.71Å; F338-F375 HydrophobicContact CZ-CG 4.36Å; S346-F375 WeakPolarHBondContact OG-CE2 3.19Å; S346-F375 WeakPolarHBondContact OG-CZ 3.41Å; K348-F375 HydrophobicContact CB-CE2 3.96Å; A351-F375 HydrophobicContact CB-CD2 4.31Å; A351-F375 HydrophobicContact CB-CE2 3.88Å; V373-F375 PolarHBondContact O-N 2.8Å; V373-F375 VanDerWaalsContact O-N 3.12Å; F375-C377 HydrophobicContact CD1-CB 4Å; F375-C377 HydrophobicContact CE1-CB 3.61Å; F375-C377 PolarHBondContact O-N 3.21Å; F375-C377 VanDerWaalsContact O-N 3.14Å; F375-Y395 AromaticContact CE1-CD1 3.76Å; F375-Y395 HydrophobicContact CE1-CD1 3.76Å; F375-Y395 AromaticContact CE1-CE1 3.82Å; F375-Y395 HydrophobicContact CE1-CE1 3.82Å; F375-Y395 HydrophobicContact CE1-CG 4.29Å; F375-Y395 HydrophobicContact CZ-CD1 4.1Å; F375-Y395 AromaticContact CZ-CE1 3.85Å; F375-Y395 HydrophobicContact CZ-CE1 3.85Å; F375-F410 AromaticContact CD1-CZ 3.81Å; F375-F410 HydrophobicContact CD1-CZ 3.81Å; F375-F410 HydrophobicContact CE1-CZ 4.05Å |
| 376 | F | 92.9 | Very high | 85.6 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | trans | -81.4 | 90.3 | 179 | -57.6 | -73.5 | 0 | 0 | 0 | 111.4 | L300 Y315 K348 P374 P445 I449 | L300-F376 HydrophobicContact CD1-CE1 3.84Å; L300-F376 HydrophobicContact CD1-CZ 3.5Å; L300-F376 VanDerWaalsContact CD1-CZ 3.5Å; Y315-F376 WeakPolarHBondContact O-CE1 3.04Å; K348-F376 WeakPolarHBondContact CD-O 3.49Å; K348-F376 PolarHBondContact NZ-O 3.41Å; P374-F376 HydrophobicContact CB-CZ 4.24Å; F376-P445 VanDerWaalsContact CD1-CD 3.44Å; F376-P445 HydrophobicContact CD1-CG 3.75Å; F376-P445 VanDerWaalsContact CE1-CD 3.48Å; F376-P445 HydrophobicContact CE1-CG 3.8Å; F376-P445 HydrophobicContact CG-CG 4.48Å; F376-I449 HydrophobicContact CE2-CG1 4.09Å; F376-I449 HydrophobicContact CZ-CG1 4.05Å | ||
| 377 | C | 93.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -66.4 | 177 | -176.1 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | K348 F375 Y395 F410 C412 | K348-C377 PolarHBondContact NZ-O 2.65Å; F375-C377 HydrophobicContact CD1-CB 4Å; F375-C377 HydrophobicContact CE1-CB 3.61Å; F375-C377 PolarHBondContact O-N 3.21Å; F375-C377 VanDerWaalsContact O-N 3.14Å; C377-Y395 HydrophobicContact CB-CD2 4.05Å; C377-Y395 HydrophobicContact CB-CE2 3.73Å; C377-F410 HydrophobicContact CB-CE2 3.82Å; C377-F410 HydrophobicContact CB-CZ 4.27Å; C377-C412 HydrophobicContact CB-CB 3.64Å; C377-C412 WeakPolarHBondContact CB-SG 3.34Å; C377-C412 WeakPolarHBondContact SG-CB 3.49Å; C377-C412 CovalentContact SG-SG 2.02Å; C377-C412 PolarHBondContact SG-SG 3.42Å | ||
| 378 | D | 91.8 | Very high | 87.8 | Confident | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | trans | -110.9 | 127.7 | 167.4 | -70.5 | -48 | 0 | 0 | 0 | 110.2 | K348 K380 Y395 | K348-D378 WeakPolarHBondContact CE-OD1 3.36Å; K348-D378 WeakPolarHBondContact CE-OD2 3.38Å; K348-D378 IonicContact NZ-OD1 3.59Å; K348-D378 PolarHBondContact NZ-OD1 2.68Å; K348-D378 IonicContact NZ-OD2 2.75Å; D378-K380 PolarHBondContact O-N 2.81Å; D378-Y395 PolarHBondContact N-OH 3.38Å; D378-Y395 VanDerWaalsContact N-OH 3.12Å; D378-Y395 WeakPolarHBondContact O-CE2 3.45Å; D378-Y395 PolarHBondContact O-OH 2.91Å | ||
| 379 | S | 92.4 | Very high | 88.3 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -74.1 | -17.2 | 171.6 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | E314 C412 | E314-S379 VanDerWaalsContact CD-OG 3.28Å; E314-S379 WeakPolarHBondContact OE1-CA 3.08Å; E314-S379 WeakPolarHBondContact OE1-CB 3.38Å; E314-S379 PolarHBondContact OE1-N 3.47Å; E314-S379 PolarHBondContact OE1-OG 2.87Å; S379-C412 PolarHBondContact N-SG 3.2Å; S379-C412 VanDerWaalsContact N-SG 3.44Å |
| 380 | K | 90.1 | Very high | 88.7 | Confident | 174 Ų | 174 | 37.6 Ų | 37.6 | 76% | 0.757 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -133.7 | 72.6 | 178.3 | -64.8 | 179.9 | -175.6 | 173.1 | 0 | 110.5 | D378 | D378-K380 PolarHBondContact O-N 2.81Š|
| 381 | P | 85.8 | Confident | 89 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | trans | -60.9 | 149.8 | -179 | 19.7 | -26.3 | 0 | 0 | 0 | 111.8 | S383 T384 E392 | P381-S383 VanDerWaalsContact C-N 3.3Å; P381-S383 PolarHBondContact O-N 2.79Å; P381-T384 HydrophobicContact CG-CG2 3.84Å; P381-E392 WeakPolarHBondContact CG-O 3.41Å | ||
| 382 | K | 81.9 | Confident | 89.4 | Confident | 180 Ų | 180 | 40.7 Ų | 40.7 | 78% | 0.783 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -64.5 | -30.5 | -173.1 | -66.1 | 179.6 | -176.3 | 173 | 0 | 113.6 | S428 | K382-S428 PolarHBondContact NZ-O 3.02Š|
| 383 | S | 85.3 | Confident | 89.7 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 43% | 0.427 | 23% | 0.225 | S | C | . | . | trans | -126.9 | 122.8 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | T342 P381 | T342-S383 WeakPolarHBondContact CG2-O 3.21Å; P381-S383 VanDerWaalsContact C-N 3.3Å; P381-S383 PolarHBondContact O-N 2.79Å | ||
| 384 | T | 87.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 32% | 0.319 | 23% | 0.225 | S | C | . | . | trans | -136.5 | 11.5 | -179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | P381 D386 C387 E392 | P381-T384 HydrophobicContact CG-CG2 3.84Å; T384-D386 VanDerWaalsContact C-N 3.29Å; T384-D386 PolarHBondContact O-N 2.89Å; T384-C387 WeakPolarHBondContact O-CB 2.98Å; T384-C387 PolarHBondContact O-N 3.12Å; T384-E392 HydrophobicContact CG2-CB 3.77Å; T384-E392 HydrophobicContact CG2-CG 3.97Å | ||
| 385 | V | 82.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -37.1 | -168.1 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | R182 | R182-V385 PolarHBondContact NE-O 2.7Š|
| 386 | D | 85.2 | Confident | 90.2 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.7 | 179.9 | -68.9 | -50.6 | 0 | 0 | 0 | 113.3 | F179 A180 K188 T384 | F179-D386 CarbonylContact C-O 3.58Å; F179-D386 WeakPolarHBondContact CA-O 3.44Å; A180-D386 PolarHBondContact N-O 3.47Å; K188-D386 IonicContact NZ-OD1 3.4Å; K188-D386 PolarHBondContact NZ-OD1 2.91Å; T384-D386 VanDerWaalsContact C-N 3.29Å; T384-D386 PolarHBondContact O-N 2.89Å |
| 387 | C | 89.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 144.1 | -175.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | C341 T384 | C341-C387 HydrophobicContact CB-CB 3.78Å; C341-C387 WeakPolarHBondContact CB-SG 3.43Å; C341-C387 PolarHBondContact O-SG 3.4Å; C341-C387 VanDerWaalsContact O-SG 3.36Å; C341-C387 WeakPolarHBondContact SG-CB 3.03Å; C341-C387 CovalentContact SG-SG 2.03Å; C341-C387 PolarHBondContact SG-SG 2.83Å; T384-C387 WeakPolarHBondContact O-CB 2.98Å; T384-C387 PolarHBondContact O-N 3.12Å |
| 388 | V | 90 | Very high | 90.5 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 133.1 | 172.9 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | T138 A142 V280 G390 T391 | T138-V388 HydrophobicContact CG2-CG1 4.02Å; A142-V388 HydrophobicContact CB-CB 4.09Å; A142-V388 HydrophobicContact CB-CG1 3.97Å; A142-V388 HydrophobicContact CB-CG2 4.35Å; V280-V388 HydrophobicContact CG1-CG2 3.67Å; V388-G390 PolarHBondContact O-N 3.14Å; V388-T391 HydrophobicContact CB-CG2 4.41Å; V388-T391 PolarHBondContact N-OG1 3.1Å; V388-T391 WeakPolarHBondContact O-CB 3.49Å; V388-T391 PolarHBondContact O-N 2.94Å; V388-T391 PolarHBondContact O-OG1 2.96Å |
| 389 | P | 87.6 | Confident | 90.6 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.3 | 178 | -28.3 | 35.6 | 0 | 0 | 0 | 112.9 | T139 E392 | T139-P389 WeakPolarHBondContact CG2-O 3.35Å; T139-P389 PolarHBondContact OG1-O 3.16Å; P389-E392 WeakPolarHBondContact CA-OE1 3.38Å |
| 390 | G | 89.8 | Confident | 90.6 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 37% | 0.371 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 5.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N143 V388 E392 | N143-G390 PolarHBondContact ND2-O 2.78Å; N143-G390 VanDerWaalsContact ND2-O 3.08Å; N143-G390 PolarHBondContact OD1-O 2.96Å; V388-G390 PolarHBondContact O-N 3.14Å; G390-E392 WeakPolarHBondContact CA-OE2 3.49Å; G390-E392 PolarHBondContact N-OE1 3.35Å; G390-E392 PolarHBondContact N-OE2 2.94Å |
| 391 | T | 93.7 | Very high | 90.6 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | trans | -122.1 | 7.7 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | A142 N143 C341 V388 S393 K394 | A142-T391 HydrophobicContact CB-CG2 3.65Å; N143-T391 WeakPolarHBondContact ND2-CG2 3.25Å; C341-T391 WeakPolarHBondContact CB-O 3.21Å; V388-T391 HydrophobicContact CB-CG2 4.41Å; V388-T391 PolarHBondContact N-OG1 3.1Å; V388-T391 WeakPolarHBondContact O-CB 3.49Å; V388-T391 PolarHBondContact O-N 2.94Å; V388-T391 PolarHBondContact O-OG1 2.96Å; T391-S393 VanDerWaalsContact C-N 3.27Å; T391-S393 PolarHBondContact O-N 2.88Å; T391-K394 WeakPolarHBondContact O-CB 3.32Å; T391-K394 PolarHBondContact O-N 3.14Å | ||
| 392 | E | 93.7 | Very high | 90.7 | Very high | 66 Ų | 66 | 29.5 Ų | 29.5 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -38.3 | -173.4 | -64.8 | 89.6 | 161 | 0 | 0 | 112.4 | C341 P381 T384 P389 G390 K394 | C341-E392 PolarHBondContact SG-O 3.02Å; C341-E392 VanDerWaalsContact SG-O 3.38Å; P381-E392 WeakPolarHBondContact CG-O 3.41Å; T384-E392 HydrophobicContact CG2-CB 3.77Å; T384-E392 HydrophobicContact CG2-CG 3.97Å; P389-E392 WeakPolarHBondContact CA-OE1 3.38Å; G390-E392 WeakPolarHBondContact CA-OE2 3.49Å; G390-E392 PolarHBondContact N-OE1 3.35Å; G390-E392 PolarHBondContact N-OE2 2.94Å; E392-K394 VanDerWaalsContact C-N 3.34Å |
| 393 | S | 94.4 | Very high | 91 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.8 | 178 | 53.1 | 0 | 0 | 0 | 0 | 114 | T391 Y395 Q411 C412 | T391-S393 VanDerWaalsContact C-N 3.27Å; T391-S393 PolarHBondContact O-N 2.88Å; S393-Y395 WeakPolarHBondContact O-CD2 3.37Å; S393-Q411 PolarHBondContact OG-OE1 2.96Å; S393-C412 VanDerWaalsContact CB-O 3.31Å; S393-C412 WeakPolarHBondContact CB-O 3.25Å; S393-C412 WeakPolarHBondContact O-CB 3.35Å; S393-C412 PolarHBondContact O-N 2.96Å |
| 394 | K | 95.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.2 | -179.4 | -171.8 | -177.7 | 172.9 | -149.1 | 0 | 110.4 | T108 A142 N143 N145 C341 T391 E392 D396 S409 F410 | T108-K394 HydrophobicContact CG2-CD 4.13Å; T108-K394 HydrophobicContact CG2-CG 4Å; A142-K394 PolarHBondContact O-NZ 2.73Å; N143-K394 WeakPolarHBondContact O-CE 3.14Å; N143-K394 PolarHBondContact O-NZ 3.37Å; N145-K394 PolarHBondContact OD1-NZ 3.23Å; C341-K394 PolarHBondContact N-O 2.83Å; T391-K394 WeakPolarHBondContact O-CB 3.32Å; T391-K394 PolarHBondContact O-N 3.14Å; E392-K394 VanDerWaalsContact C-N 3.34Å; K394-D396 WeakPolarHBondContact CE-OD1 3.11Å; K394-D396 IonicContact NZ-OD1 2.8Å; K394-D396 PolarHBondContact NZ-OD1 3.21Å; K394-S409 WeakPolarHBondContact CE-OG 3.22Å; K394-F410 WeakPolarHBondContact CA-O 3.42Å |
| 395 | Y | 95.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.3 | 170.1 | -72.1 | -99.3 | 0 | 0 | 0 | 109.9 | T339 D340 F375 C377 D378 S393 S409 F410 C412 | T339-Y395 WeakPolarHBondContact O-CA 3.38Å; D340-Y395 HydrophobicContact CB-CD1 4.21Å; D340-Y395 HydrophobicContact CB-CE1 3.81Å; F375-Y395 AromaticContact CE1-CD1 3.76Å; F375-Y395 HydrophobicContact CE1-CD1 3.76Å; F375-Y395 AromaticContact CE1-CE1 3.82Å; F375-Y395 HydrophobicContact CE1-CE1 3.82Å; F375-Y395 HydrophobicContact CE1-CG 4.29Å; F375-Y395 HydrophobicContact CZ-CD1 4.1Å; F375-Y395 AromaticContact CZ-CE1 3.85Å; F375-Y395 HydrophobicContact CZ-CE1 3.85Å; C377-Y395 HydrophobicContact CB-CD2 4.05Å; C377-Y395 HydrophobicContact CB-CE2 3.73Å; D378-Y395 PolarHBondContact N-OH 3.38Å; D378-Y395 VanDerWaalsContact N-OH 3.12Å; D378-Y395 WeakPolarHBondContact O-CE2 3.45Å; D378-Y395 PolarHBondContact O-OH 2.91Å; S393-Y395 WeakPolarHBondContact O-CD2 3.37Å; Y395-S409 CarbonylContact O-C 3.58Å; Y395-S409 WeakPolarHBondContact O-CA 3.35Å; Y395-S409 WeakPolarHBondContact O-CB 3.4Å; Y395-F410 AromaticContact CD2-CE2 3.84Å; Y395-F410 HydrophobicContact CD2-CE2 3.84Å; Y395-F410 HydrophobicContact CD2-CZ 4.11Å; Y395-F410 HydrophobicContact CG-CE1 4.46Å; Y395-F410 AromaticContact CG-CE2 3.97Å; Y395-F410 HydrophobicContact CG-CE2 3.97Å; Y395-F410 AromaticContact CG-CZ 3.75Å; Y395-F410 HydrophobicContact CG-CZ 3.75Å; Y395-F410 PolarHBondContact N-O 2.98Å; Y395-F410 PolarHBondContact O-N 2.81Å; Y395-C412 HydrophobicContact CD2-CB 4.04Å; Y395-C412 HydrophobicContact CE2-CB 3.88Å |
| 396 | D | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.8 | 172.7 | -56.7 | -55.1 | 0 | 0 | 0 | 109.6 | T176 R177 F338 T339 K394 R408 S409 | T176-D396 HydrophobicContact CG2-CB 4.43Å; R177-D396 IonicContact CZ-OD2 3.78Å; R177-D396 IonicContact NH1-OD2 3.59Å; R177-D396 PolarHBondContact NH1-OD2 3.34Å; R177-D396 IonicContact NH2-OD2 3.61Å; R177-D396 PolarHBondContact NH2-OD2 2.98Å; F338-D396 CarbonylContact C-O 3.35Å; F338-D396 WeakPolarHBondContact CA-O 3.49Å; T339-D396 PolarHBondContact N-O 2.7Å; T339-D396 PolarHBondContact O-N 3.12Å; T339-D396 PolarHBondContact OG1-O 3.06Å; K394-D396 WeakPolarHBondContact CE-OD1 3.11Å; K394-D396 IonicContact NZ-OD1 2.8Å; K394-D396 PolarHBondContact NZ-OD1 3.21Å; D396-R408 CarbonylContact C-O 3.59Å; D396-R408 WeakPolarHBondContact CA-O 3.42Å; D396-S409 WeakPolarHBondContact OD1-CB 3.48Å; D396-S409 PolarHBondContact OD1-OG 3.17Å |
| 397 | I | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.3 | 178.9 | -45.6 | 176.2 | 0 | 0 | 0 | 107.2 | Y297 L320 A336 V337 F338 N407 R408 F410 | Y297-I397 HydrophobicContact CE1-CD1 3.83Å; L320-I397 HydrophobicContact CB-CD1 4.16Å; L320-I397 HydrophobicContact CD2-CB 4.44Å; L320-I397 HydrophobicContact CD2-CD1 3.98Å; L320-I397 HydrophobicContact CD2-CG2 4.04Å; A336-I397 HydrophobicContact CB-CG2 4.38Å; V337-I397 CarbonylContact O-C 3.51Å; V337-I397 VanDerWaalsContact O-CA 3.27Å; V337-I397 WeakPolarHBondContact O-CA 3.38Å; F338-I397 HydrophobicContact CD1-CD1 4.01Å; F338-I397 HydrophobicContact CD1-CG1 3.64Å; F338-I397 HydrophobicContact CD2-CG2 4.5Å; F338-I397 HydrophobicContact CE1-CD1 3.36Å; F338-I397 HydrophobicContact CE1-CG1 3.53Å; F338-I397 HydrophobicContact CE1-CG2 4.25Å; F338-I397 HydrophobicContact CE2-CG2 4.22Å; F338-I397 HydrophobicContact CG-CG1 4.39Å; F338-I397 HydrophobicContact CZ-CD1 3.92Å; F338-I397 HydrophobicContact CZ-CG1 4.21Å; F338-I397 HydrophobicContact CZ-CG2 4.1Å; I397-N407 CarbonylContact O-C 3.56Å; I397-N407 VanDerWaalsContact O-CA 3.3Å; I397-N407 WeakPolarHBondContact O-CA 3.48Å; I397-R408 HydrophobicContact CB-CB 4.47Å; I397-R408 PolarHBondContact N-O 3.23Å; I397-R408 PolarHBondContact O-N 2.95Å; I397-F410 HydrophobicContact CD1-CD1 3.76Å; I397-F410 HydrophobicContact CD1-CE1 3.67Å; I397-F410 HydrophobicContact CG1-CD1 4.02Å; I397-F410 HydrophobicContact CG1-CE1 3.73Å |
| 398 | Q | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.2 | 165.2 | 180 | 177.9 | 101.7 | 0 | 0 | 108.7 | T174 K192 A336 V337 V400 I405 | T174-Q398 PolarHBondContact O-NE2 2.88Å; K192-Q398 PolarHBondContact O-NE2 3.01Å; K192-Q398 PolarHBondContact O-OE1 2.97Å; A336-Q398 CarbonylContact C-O 3.52Å; A336-Q398 VanDerWaalsContact CA-O 3.29Å; A336-Q398 WeakPolarHBondContact CA-O 3.48Å; V337-Q398 PolarHBondContact N-O 3.34Å; V337-Q398 PolarHBondContact O-N 3.19Å; Q398-V400 HydrophobicContact CG-CG2 4.03Å; Q398-I405 HydrophobicContact CG-CD1 4.24Å; Q398-I405 HydrophobicContact CG-CG1 4.47Å |
| 399 | F | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.1 | 173.1 | 176.4 | -102 | 0 | 0 | 0 | 110.2 | M322 L324 Y335 I355 Y370 I372 A401 F404 I405 V406 | M322-F399 HydrophobicContact CB-CD1 4.28Å; M322-F399 HydrophobicContact CB-CE1 3.98Å; M322-F399 HydrophobicContact CB-CZ 4.13Å; M322-F399 HydrophobicContact CG-CD1 3.83Å; M322-F399 HydrophobicContact CG-CD2 4.31Å; M322-F399 HydrophobicContact CG-CE1 4.05Å; M322-F399 HydrophobicContact CG-CG 3.96Å; M322-F399 HydrophobicContact CG-CZ 4.39Å; L324-F399 HydrophobicContact CD1-CE1 4.36Å; Y335-F399 CarbonylContact O-C 3.55Å; Y335-F399 VanDerWaalsContact O-CA 3.3Å; Y335-F399 WeakPolarHBondContact O-CA 3.34Å; I355-F399 HydrophobicContact CD1-CE2 4.49Å; Y370-F399 HydrophobicContact CD1-CE2 4.08Å; Y370-F399 AromaticContact CD1-CZ 3.79Å; Y370-F399 HydrophobicContact CD1-CZ 3.79Å; Y370-F399 AromaticContact CD2-CZ 3.74Å; Y370-F399 HydrophobicContact CD2-CZ 3.74Å; Y370-F399 HydrophobicContact CE1-CZ 4.25Å; Y370-F399 HydrophobicContact CE2-CZ 4.24Å; Y370-F399 AromaticContact CG-CE2 3.94Å; Y370-F399 HydrophobicContact CG-CE2 3.94Å; Y370-F399 AromaticContact CG-CZ 3.49Å; Y370-F399 HydrophobicContact CG-CZ 3.49Å; Y370-F399 VanDerWaalsContact CG-CZ 3.49Å; I372-F399 HydrophobicContact CD1-CD2 4.13Å; F399-A401 HydrophobicContact CE1-CB 3.91Å; F399-A401 HydrophobicContact CZ-CB 3.72Å; F399-F404 AromaticContact CD1-CD1 3.93Å; F399-F404 HydrophobicContact CD1-CD1 3.93Å; F399-F404 AromaticContact CD1-CE1 3.87Å; F399-F404 HydrophobicContact CD1-CE1 3.87Å; F399-F404 AromaticContact CE1-CD1 3.88Å; F399-F404 HydrophobicContact CE1-CD1 3.88Å; F399-F404 HydrophobicContact CE1-CE1 4.1Å; F399-I405 WeakPolarHBondContact O-CA 3.47Å; F399-V406 HydrophobicContact CB-CG1 4.2Å; F399-V406 HydrophobicContact CD1-CG1 4.31Å; F399-V406 PolarHBondContact N-O 3.27Å; F399-V406 PolarHBondContact O-N 2.94Å |
| 400 | V | 92.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 4% | 0.036 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.2 | 178.9 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | R194 P196 G334 Y335 Q398 F404 I405 | R194-V400 HydrophobicContact CB-CG2 4.11Å; R194-V400 HydrophobicContact CG-CG2 4.45Å; P196-V400 HydrophobicContact CB-CG1 4.18Å; G334-V400 CarbonylContact C-O 3.58Å; Y335-V400 PolarHBondContact N-O 2.93Å; Y335-V400 PolarHBondContact O-N 3.46Å; Q398-V400 HydrophobicContact CG-CG2 4.03Å; V400-F404 WeakPolarHBondContact CA-O 3.07Å; V400-I405 HydrophobicContact CG2-CB 4.28Å; V400-I405 HydrophobicContact CG2-CD1 3.74Å; V400-I405 HydrophobicContact CG2-CG1 3.87Å |
| 401 | A | 90.1 | Very high | 93 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 114.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L324 Y370 F399 E403 F404 | L324-A401 HydrophobicContact CD1-CB 4.34Å; Y370-A401 HydrophobicContact CE1-CB 3.88Å; Y370-A401 HydrophobicContact CE2-CB 4.38Å; F399-A401 HydrophobicContact CE1-CB 3.91Å; F399-A401 HydrophobicContact CZ-CB 3.72Å; A401-E403 PolarHBondContact O-N 3.29Å; A401-F404 PolarHBondContact N-O 2.79Å; A401-F404 VanDerWaalsContact O-CB 3.32Å; A401-F404 WeakPolarHBondContact O-CB 3.46Å; A401-F404 PolarHBondContact O-N 2.94Å |
| 402 | G | 87.3 | Confident | 93.1 | Very high | 7 Ų | 7 | 9.1 Ų | 9.1 | 7% | 0.072 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -124.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P196 H197 F404 | P196-G402 WeakPolarHBondContact CB-O 3.46Å; H197-G402 PolarHBondContact N-O 3.09Å; G402-F404 VanDerWaalsContact C-N 3.28Å; G402-F404 PolarHBondContact O-N 2.83Å |
| 403 | E | 87.8 | Confident | 93.1 | Very high | 76 Ų | 76 | 8.3 Ų | 8.3 | 36% | 0.355 | 4% | 0.041 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.7 | 176.5 | -51.6 | -163.8 | 116.1 | 0 | 0 | 114 | H197 S198 E199 Y329 A401 | H197-E403 VanDerWaalsContact O-CA 3.28Å; H197-E403 WeakPolarHBondContact O-CA 3.35Å; H197-E403 WeakPolarHBondContact O-CG 3.46Å; S198-E403 WeakPolarHBondContact CA-OE1 3.24Å; S198-E403 PolarHBondContact OG-OE1 2.83Å; E199-E403 PolarHBondContact N-OE1 2.8Å; Y329-E403 HydrophobicContact CE1-CB 4.36Å; A401-E403 PolarHBondContact O-N 3.29Å |
| 404 | F | 88.7 | Confident | 93 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.2 | -178.9 | -174.6 | -111.1 | 0 | 0 | 0 | 112.3 | S289 L291 H293 L324 Y329 F399 V400 A401 G402 V406 | S289-F404 WeakPolarHBondContact OG-CD2 3.13Å; L291-F404 HydrophobicContact CB-CD2 3.89Å; L291-F404 HydrophobicContact CB-CE2 4.28Å; L291-F404 HydrophobicContact CD1-CB 3.69Å; L291-F404 HydrophobicContact CD1-CD2 3.82Å; L291-F404 HydrophobicContact CD1-CG 4.12Å; H293-F404 HydrophobicContact CB-CE1 4.35Å; H293-F404 HydrophobicContact CB-CE2 4.22Å; H293-F404 HydrophobicContact CB-CZ 3.67Å; H293-F404 AromaticContact CG-CZ 3.51Å; H293-F404 AromaticContact ND1-CE2 3.64Å; H293-F404 AromaticContact ND1-CZ 3.46Å; H293-F404 WeakPolarHBondContact ND1-CZ 3.5Å; L324-F404 HydrophobicContact CD1-CB 4.33Å; L324-F404 HydrophobicContact CD1-CD1 4Å; L324-F404 HydrophobicContact CD1-CG 4.32Å; L324-F404 HydrophobicContact CD2-CD1 3.51Å; L324-F404 HydrophobicContact CD2-CE1 3.41Å; L324-F404 VanDerWaalsContact CD2-CE1 3.41Å; L324-F404 HydrophobicContact CD2-CE2 4.45Å; L324-F404 HydrophobicContact CD2-CG 4.08Å; L324-F404 HydrophobicContact CD2-CZ 3.92Å; L324-F404 HydrophobicContact CG-CD1 4.43Å; Y329-F404 HydrophobicContact CD1-CB 4.48Å; F399-F404 AromaticContact CD1-CD1 3.93Å; F399-F404 HydrophobicContact CD1-CD1 3.93Å; F399-F404 AromaticContact CD1-CE1 3.87Å; F399-F404 HydrophobicContact CD1-CE1 3.87Å; F399-F404 AromaticContact CE1-CD1 3.88Å; F399-F404 HydrophobicContact CE1-CD1 3.88Å; F399-F404 HydrophobicContact CE1-CE1 4.1Å; V400-F404 WeakPolarHBondContact CA-O 3.07Å; A401-F404 PolarHBondContact N-O 2.79Å; A401-F404 VanDerWaalsContact O-CB 3.32Å; A401-F404 WeakPolarHBondContact O-CB 3.46Å; A401-F404 PolarHBondContact O-N 2.94Å; G402-F404 VanDerWaalsContact C-N 3.28Å; G402-F404 PolarHBondContact O-N 2.83Å; F404-V406 HydrophobicContact CE1-CB 3.93Å; F404-V406 HydrophobicContact CE1-CG1 3.52Å; F404-V406 HydrophobicContact CE2-CB 4.49Å; F404-V406 HydrophobicContact CZ-CB 3.65Å; F404-V406 HydrophobicContact CZ-CG1 3.67Å |
| 405 | I | 91.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.3 | 168.8 | 179 | 162.3 | 0 | 0 | 0 | 110 | S172 T174 L193 R194 P196 T287 Q398 F399 V400 | S172-I405 WeakPolarHBondContact CB-O 3.36Å; S172-I405 PolarHBondContact OG-O 2.71Å; T174-I405 HydrophobicContact CG2-CB 4.44Å; T174-I405 HydrophobicContact CG2-CD1 3.91Å; T174-I405 HydrophobicContact CG2-CG1 3.91Å; T174-I405 HydrophobicContact CG2-CG2 3.68Å; L193-I405 HydrophobicContact CD1-CD1 3.77Å; R194-I405 VanDerWaalsContact O-CD1 3.3Å; R194-I405 WeakPolarHBondContact O-CD1 3.28Å; P196-I405 HydrophobicContact CB-CB 4.45Å; P196-I405 HydrophobicContact CB-CG2 4.4Å; P196-I405 HydrophobicContact CG-CB 4.34Å; P196-I405 HydrophobicContact CG-CG2 3.83Å; T287-I405 HydrophobicContact CG2-CG2 3.45Å; T287-I405 VanDerWaalsContact CG2-CG2 3.45Å; Q398-I405 HydrophobicContact CG-CD1 4.24Å; Q398-I405 HydrophobicContact CG-CG1 4.47Å; F399-I405 WeakPolarHBondContact O-CA 3.47Å; V400-I405 HydrophobicContact CG2-CB 4.28Å; V400-I405 HydrophobicContact CG2-CD1 3.74Å; V400-I405 HydrophobicContact CG2-CG1 3.87Å |
| 406 | V | 91.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 150.6 | 171.5 | 69.3 | 0 | 0 | 0 | 0 | 110.9 | L173 F399 F404 R408 | L173-V406 CarbonylContact O-C 3.59Å; L173-V406 WeakPolarHBondContact O-CA 3.47Å; F399-V406 HydrophobicContact CB-CG1 4.2Å; F399-V406 HydrophobicContact CD1-CG1 4.31Å; F399-V406 PolarHBondContact N-O 3.27Å; F399-V406 PolarHBondContact O-N 2.94Å; F404-V406 HydrophobicContact CE1-CB 3.93Å; F404-V406 HydrophobicContact CE1-CG1 3.52Å; F404-V406 HydrophobicContact CE2-CB 4.49Å; F404-V406 HydrophobicContact CZ-CB 3.65Å; F404-V406 HydrophobicContact CZ-CG1 3.67Å; V406-R408 HydrophobicContact CG1-CG 4.48Å |
| 407 | N | 93.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.4 | 167 | -167.4 | -76.3 | 0 | 0 | 0 | 109.3 | N111 L173 T176 I397 | N111-N407 PolarHBondContact ND2-O 2.92Å; L173-N407 HydrophobicContact CB-CB 4.32Å; L173-N407 HydrophobicContact CD2-CB 4.12Å; L173-N407 HydrophobicContact CG-CB 3.95Å; L173-N407 WeakPolarHBondContact O-CB 3.47Å; L173-N407 PolarHBondContact O-N 2.75Å; T176-N407 WeakPolarHBondContact CG2-OD1 3.46Å; I397-N407 CarbonylContact O-C 3.56Å; I397-N407 VanDerWaalsContact O-CA 3.3Å; I397-N407 WeakPolarHBondContact O-CA 3.48Å |
| 408 | R | 92 | Very high | 90 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 158.4 | 169.9 | -64.5 | -61.5 | -64.9 | -132.5 | -8.7 | 109.1 | E81 N109 G295 L320 M322 D396 I397 V406 | E81-R408 IonicContact OE1-CZ 3.47Å; E81-R408 IonicContact OE1-NH1 2.69Å; E81-R408 PolarHBondContact OE1-NH1 3.23Å; N109-R408 PolarHBondContact O-NH2 2.93Å; G295-R408 PolarHBondContact O-NH2 2.8Å; L320-R408 HydrophobicContact CD2-CB 4.45Å; L320-R408 HydrophobicContact CD2-CG 4.32Å; M322-R408 HydrophobicContact SD-CG 4.43Å; D396-R408 CarbonylContact C-O 3.59Å; D396-R408 WeakPolarHBondContact CA-O 3.42Å; I397-R408 HydrophobicContact CB-CB 4.47Å; I397-R408 PolarHBondContact N-O 3.23Å; I397-R408 PolarHBondContact O-N 2.95Å; V406-R408 HydrophobicContact CG1-CG 4.48Å |
| 409 | S | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.2 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | T108 N109 N145 Y297 K394 Y395 D396 | T108-S409 CarbonylContact C-O 3.56Å; T108-S409 VanDerWaalsContact CG2-CB 3.49Å; N109-S409 WeakPolarHBondContact CA-O 3.3Å; N145-S409 PolarHBondContact ND2-OG 3.12Å; Y297-S409 PolarHBondContact OH-O 2.89Å; K394-S409 WeakPolarHBondContact CE-OG 3.22Å; Y395-S409 CarbonylContact O-C 3.58Å; Y395-S409 WeakPolarHBondContact O-CA 3.35Å; Y395-S409 WeakPolarHBondContact O-CB 3.4Å; D396-S409 WeakPolarHBondContact OD1-CB 3.48Å; D396-S409 PolarHBondContact OD1-OG 3.17Å |
| 410 | F | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 158.5 | 168.2 | 61.5 | -87 | 0 | 0 | 0 | 111.4 | N109 Y297 V312 A318 F338 F375 C377 K394 Y395 I397 C412 | N109-F410 WeakPolarHBondContact OD1-CA 3.12Å; N109-F410 WeakPolarHBondContact OD1-CB 3.43Å; Y297-F410 HydrophobicContact CE1-CB 4.25Å; Y297-F410 AromaticContact CE1-CD1 3.98Å; Y297-F410 HydrophobicContact CE1-CD1 3.98Å; Y297-F410 HydrophobicContact CE1-CG 4.37Å; Y297-F410 HydrophobicContact CE2-CB 4.06Å; V312-F410 HydrophobicContact CB-CB 4.27Å; V312-F410 HydrophobicContact CB-CD2 3.79Å; V312-F410 HydrophobicContact CB-CG 4.27Å; V312-F410 HydrophobicContact CG1-CD2 3.43Å; V312-F410 VanDerWaalsContact CG1-CD2 3.43Å; V312-F410 HydrophobicContact CG1-CE2 3.68Å; V312-F410 HydrophobicContact CG1-CG 4.22Å; V312-F410 HydrophobicContact CG2-CB 3.95Å; V312-F410 HydrophobicContact CG2-CD2 4.14Å; V312-F410 HydrophobicContact CG2-CG 4.13Å; A318-F410 HydrophobicContact CB-CD1 4.05Å; A318-F410 HydrophobicContact CB-CD2 4.38Å; A318-F410 HydrophobicContact CB-CE1 3.69Å; A318-F410 HydrophobicContact CB-CE2 4.04Å; A318-F410 HydrophobicContact CB-CG 4.37Å; A318-F410 HydrophobicContact CB-CZ 3.67Å; F338-F410 AromaticContact CD1-CE1 3.86Å; F338-F410 HydrophobicContact CD1-CE1 3.86Å; F338-F410 HydrophobicContact CD1-CZ 4.15Å; F338-F410 AromaticContact CE1-CE1 3.92Å; F338-F410 HydrophobicContact CE1-CE1 3.92Å; F338-F410 HydrophobicContact CE1-CZ 4.38Å; F375-F410 AromaticContact CD1-CZ 3.81Å; F375-F410 HydrophobicContact CD1-CZ 3.81Å; F375-F410 HydrophobicContact CE1-CZ 4.05Å; C377-F410 HydrophobicContact CB-CE2 3.82Å; C377-F410 HydrophobicContact CB-CZ 4.27Å; K394-F410 WeakPolarHBondContact CA-O 3.42Å; Y395-F410 AromaticContact CD2-CE2 3.84Å; Y395-F410 HydrophobicContact CD2-CE2 3.84Å; Y395-F410 HydrophobicContact CD2-CZ 4.11Å; Y395-F410 HydrophobicContact CG-CE1 4.46Å; Y395-F410 AromaticContact CG-CE2 3.97Å; Y395-F410 HydrophobicContact CG-CE2 3.97Å; Y395-F410 AromaticContact CG-CZ 3.75Å; Y395-F410 HydrophobicContact CG-CZ 3.75Å; Y395-F410 PolarHBondContact N-O 2.98Å; Y395-F410 PolarHBondContact O-N 2.81Å; I397-F410 HydrophobicContact CD1-CD1 3.76Å; I397-F410 HydrophobicContact CD1-CE1 3.67Å; I397-F410 HydrophobicContact CG1-CD1 4.02Å; I397-F410 HydrophobicContact CG1-CE1 3.73Å; F410-C412 HydrophobicContact CE2-CB 4.4Å |
| 411 | Q | 94.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.1 | 168.5 | -76.6 | -67.6 | -12.3 | 0 | 0 | 109.8 | D105 T108 N109 N143 V312 S393 | D105-Q411 WeakPolarHBondContact OD1-CB 3.44Å; T108-Q411 HydrophobicContact CG2-CG 4.18Å; N109-Q411 PolarHBondContact OD1-N 3.28Å; N143-Q411 PolarHBondContact OD1-NE2 2.83Å; V312-Q411 VanDerWaalsContact O-O 3.07Å; S393-Q411 PolarHBondContact OG-OE1 2.96Å |
| 412 | C | 95 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 117.2 | 173.2 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | C377 S379 S393 Y395 F410 | C377-C412 HydrophobicContact CB-CB 3.64Å; C377-C412 WeakPolarHBondContact CB-SG 3.34Å; C377-C412 WeakPolarHBondContact SG-CB 3.49Å; C377-C412 CovalentContact SG-SG 2.02Å; C377-C412 PolarHBondContact SG-SG 3.42Å; S379-C412 PolarHBondContact N-SG 3.2Å; S379-C412 VanDerWaalsContact N-SG 3.44Å; S393-C412 VanDerWaalsContact CB-O 3.31Å; S393-C412 WeakPolarHBondContact CB-O 3.25Å; S393-C412 WeakPolarHBondContact O-CB 3.35Å; S393-C412 PolarHBondContact O-N 2.96Å; Y395-C412 HydrophobicContact CD2-CB 4.04Å; Y395-C412 HydrophobicContact CE2-CB 3.88Å; F410-C412 HydrophobicContact CE2-CB 4.4Å |
| 413 | R | 94.2 | Very high | 89 | Confident | 49 Ų | 49 | 44 Ų | 44 | 19% | 0.185 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -99.9 | 156.1 | 177.1 | -60.2 | -54.5 | -173.9 | -165.5 | -5.3 | 112.1 | S101 D105 V312 D313 E314 G415 | S101-R413 PolarHBondContact O-NH2 3.43Å; D105-R413 IonicContact OD1-CZ 3.11Å; D105-R413 IonicContact OD1-NE 2.74Å; D105-R413 PolarHBondContact OD1-NE 2.87Å; D105-R413 IonicContact OD1-NH2 2.65Å; D105-R413 PolarHBondContact OD1-NH2 2.95Å; D105-R413 IonicContact OD2-NE 3.03Å; D105-R413 PolarHBondContact OD2-NE 3.21Å; D105-R413 IonicContact OD2-NH2 3.98Å; V312-R413 PolarHBondContact O-N 2.92Å; D313-R413 CarbonylContact C-O 3.58Å; D313-R413 VanDerWaalsContact CA-O 3.23Å; D313-R413 WeakPolarHBondContact CA-O 3.34Å; D313-R413 HydrophobicContact CB-CB 4.21Å; D313-R413 WeakPolarHBondContact CB-O 3.16Å; E314-R413 PolarHBondContact N-O 2.82Å; R413-G415 PolarHBondContact O-N 3Å |
| 414 | P | 92.1 | Very high | 88.8 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 130.8 | 170.5 | -23.6 | 33.9 | 0 | 0 | 0 | 110.1 | ||
| 415 | G | 85 | Confident | 88.7 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 139 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E314 R413 | E314-G415 PolarHBondContact OE2-N 2.92Å; R413-G415 PolarHBondContact O-N 3Å |
| 416 | V | 77.8 | Confident | 88.5 | Confident | 136 Ų | 136 | 52.4 Ų | 52.4 | 82% | 0.824 | 31% | 0.306 | S | S | * | . | trans | -107.1 | -1.3 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 417 | G | 77.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -84.5 | 164.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I419 | G417-I419 PolarHBondContact O-N 2.8Š|
| 418 | Q | 80.3 | Confident | 88.3 | Confident | 176 Ų | 176 | 59 Ų | 59 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | trans | -79.3 | 111.4 | 171.3 | -71.4 | -171.3 | -18.9 | 0 | 0 | 109.6 | Y315 N420 | Y315-Q418 WeakPolarHBondContact CE2-O 3.3Å; Y315-Q418 PolarHBondContact OH-O 3.35Å; Y315-Q418 VanDerWaalsContact OH-O 3.12Å; Q418-N420 PolarHBondContact O-N 2.79Å | ||
| 419 | I | 84.1 | Confident | 88.1 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | trans | -57.1 | 129.2 | 168.9 | -60.2 | 176 | 0 | 0 | 0 | 107.7 | G417 P421 Y432 P445 | G417-I419 PolarHBondContact O-N 2.8Å; I419-P421 WeakPolarHBondContact O-CD 3.49Å; I419-Y432 HydrophobicContact CD1-CE1 4.16Å; I419-P445 CarbonylContact C-O 3.54Å; I419-P445 WeakPolarHBondContact CA-O 3.45Å; I419-P445 HydrophobicContact CG1-CB 4.25Å; I419-P445 HydrophobicContact CG2-CB 4.48Å | ||
| 420 | N | 87.3 | Confident | 87.8 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | trans | -54.6 | 124.7 | 174.6 | -178.4 | -34.9 | 0 | 0 | 0 | 108.3 | Q418 N422 C423 P445 T446 | Q418-N420 PolarHBondContact O-N 2.79Å; N420-N422 PolarHBondContact O-N 2.86Å; N420-N422 WeakPolarHBondContact OD1-CB 3.31Å; N420-N422 PolarHBondContact OD1-N 3.14Å; N420-C423 HydrophobicContact CB-CB 4.06Å; N420-C423 WeakPolarHBondContact O-CA 3.29Å; N420-C423 PolarHBondContact O-N 2.78Å; N420-P445 PolarHBondContact N-O 3.08Å; N420-T446 WeakPolarHBondContact CB-O 3.39Å; N420-T446 PolarHBondContact ND2-O 3.09Å; N420-T446 VanDerWaalsContact ND2-O 3.07Å | ||
| 421 | P | 86.9 | Confident | 87.6 | Confident | 108 Ų | 108 | 63 Ų | 63 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.1 | -176.3 | -27 | 34.4 | 0 | 0 | 0 | 114.1 | I419 C423 | I419-P421 WeakPolarHBondContact O-CD 3.49Å; P421-C423 VanDerWaalsContact C-N 3.31Å |
| 422 | N | 89.4 | Confident | 87.4 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.2 | 176.6 | -64.2 | -28.3 | 0 | 0 | 0 | 112.8 | N420 C434 N435 | N420-N422 PolarHBondContact O-N 2.86Å; N420-N422 WeakPolarHBondContact OD1-CB 3.31Å; N420-N422 PolarHBondContact OD1-N 3.14Å; N422-C434 CarbonylContact O-C 3.5Å; N422-C434 WeakPolarHBondContact O-CA 3.4Å; N422-N435 HydrophobicContact CB-CB 4.4Å; N422-N435 PolarHBondContact O-N 3.09Å |
| 423 | C | 89.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | trans | -111 | 44.4 | -171.8 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | N420 P421 Y432 Y433 C434 G444 G447 | N420-C423 HydrophobicContact CB-CB 4.06Å; N420-C423 WeakPolarHBondContact O-CA 3.29Å; N420-C423 PolarHBondContact O-N 2.78Å; P421-C423 VanDerWaalsContact C-N 3.31Å; C423-Y432 WeakPolarHBondContact O-CD1 3.39Å; C423-Y433 CarbonylContact C-O 3.45Å; C423-Y433 VanDerWaalsContact CA-O 3.3Å; C423-Y433 WeakPolarHBondContact CA-O 3.47Å; C423-C434 HydrophobicContact CB-CB 4.08Å; C423-C434 WeakPolarHBondContact CB-SG 3.44Å; C423-C434 WeakPolarHBondContact SG-CB 3.27Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.48Å; C423-G444 WeakPolarHBondContact CB-O 3.33Å; C423-G447 WeakPolarHBondContact SG-CA 3.47Å | ||
| 424 | T | 84.5 | Confident | 87 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | trans | -99.7 | -3.9 | -177.2 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | V426 | T424-V426 PolarHBondContact O-N 3.45Š| ||
| 425 | N | 85.3 | Confident | 86.4 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.6 | -179 | -64.7 | -42.9 | 0 | 0 | 0 | 109.3 | Y432 Y433 | N425-Y432 CarbonylContact O-C 3.52Å; N425-Y432 WeakPolarHBondContact O-CA 3.26Å; N425-Y433 PolarHBondContact N-O 3.16Å; N425-Y433 PolarHBondContact O-N 3.2Å |
| 426 | V | 88.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.4 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | T424 N431 Y432 | T424-V426 PolarHBondContact O-N 3.45Å; V426-N431 VanDerWaalsContact CA-O 3.27Å; V426-N431 WeakPolarHBondContact CA-O 3.12Å; V426-Y432 HydrophobicContact CG2-CD1 3.59Å; V426-Y432 HydrophobicContact CG2-CE1 3.48Å; V426-Y432 VanDerWaalsContact CG2-CE1 3.48Å; V426-Y432 HydrophobicContact CG2-CG 4.32Å |
| 427 | D | 89.7 | Confident | 86.4 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | trans | -78.4 | -177.6 | 174.5 | 73.3 | 4.1 | 0 | 0 | 0 | 113.1 | N429 G430 N431 Y433 | D427-N429 PolarHBondContact O-N 2.93Å; D427-N429 WeakPolarHBondContact OD1-CA 3.36Å; D427-N429 WeakPolarHBondContact OD1-CB 3.46Å; D427-N429 PolarHBondContact OD1-N 3.02Å; D427-G430 PolarHBondContact O-N 3.48Å; D427-G430 PolarHBondContact OD1-N 2.73Å; D427-N431 PolarHBondContact N-O 3.07Å; D427-N431 PolarHBondContact OD1-N 2.73Å; D427-N431 PolarHBondContact OD1-ND2 3.4Å; D427-N431 PolarHBondContact OD2-ND2 3.4Å; D427-Y433 HydrophobicContact CB-CE2 3.62Å; D427-Y433 PolarHBondContact OD2-OH 3.48Å | ||
| 428 | S | 89.9 | Confident | 86.7 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 69% | 0.685 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.1 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | K382 | K382-S428 PolarHBondContact NZ-O 3.02Š|
| 429 | N | 88.9 | Confident | 87.1 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.2 | 178.1 | -68.4 | -38.5 | 0 | 0 | 0 | 112.9 | S347 K348 D427 | S347-N429 WeakPolarHBondContact CB-OD1 3.26Å; S347-N429 PolarHBondContact OG-OD1 3.3Å; S347-N429 VanDerWaalsContact OG-OD1 3.12Å; K348-N429 WeakPolarHBondContact CG-O 3.45Å; D427-N429 PolarHBondContact O-N 2.93Å; D427-N429 WeakPolarHBondContact OD1-CA 3.36Å; D427-N429 WeakPolarHBondContact OD1-CB 3.46Å; D427-N429 PolarHBondContact OD1-N 3.02Å |
| 430 | G | 88.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | trans | 88.9 | 16.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K348 D427 | K348-G430 WeakPolarHBondContact CE-O 3.31Å; D427-G430 PolarHBondContact O-N 3.48Å; D427-G430 PolarHBondContact OD1-N 2.73Å | ||
| 431 | N | 90.4 | Very high | 87.7 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.059 | 37% | 0.374 | C | S | . | . | trans | -81.6 | 132.6 | 174.9 | -61.9 | -56.9 | 0 | 0 | 0 | 110.7 | K348 Y349 V426 D427 Y433 | K348-N431 VanDerWaalsContact CA-OD1 3.25Å; K348-N431 WeakPolarHBondContact CA-OD1 3.45Å; K348-N431 WeakPolarHBondContact CB-OD1 3.11Å; Y349-N431 HydrophobicContact CD2-CB 3.56Å; Y349-N431 WeakPolarHBondContact CD2-OD1 3.36Å; Y349-N431 HydrophobicContact CE2-CB 3.64Å; Y349-N431 HydrophobicContact CG-CB 4.46Å; Y349-N431 PolarHBondContact N-OD1 3.48Å; V426-N431 VanDerWaalsContact CA-O 3.27Å; V426-N431 WeakPolarHBondContact CA-O 3.12Å; D427-N431 PolarHBondContact N-O 3.07Å; D427-N431 PolarHBondContact OD1-N 2.73Å; D427-N431 PolarHBondContact OD1-ND2 3.4Å; D427-N431 PolarHBondContact OD2-ND2 3.4Å; N431-Y433 HydrophobicContact CB-CE2 3.78Å; N431-Y433 WeakPolarHBondContact O-CD2 3.38Å; N431-Y433 WeakPolarHBondContact O-CE2 3.35Å | ||
| 432 | Y | 89.6 | Confident | 88 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 135.4 | 172.7 | -66.9 | -90.3 | 0 | 0 | 0 | 110.8 | I419 C423 N425 V426 R443 G444 | I419-Y432 HydrophobicContact CD1-CE1 4.16Å; C423-Y432 WeakPolarHBondContact O-CD1 3.39Å; N425-Y432 CarbonylContact O-C 3.52Å; N425-Y432 WeakPolarHBondContact O-CA 3.26Å; V426-Y432 HydrophobicContact CG2-CD1 3.59Å; V426-Y432 HydrophobicContact CG2-CE1 3.48Å; V426-Y432 VanDerWaalsContact CG2-CE1 3.48Å; V426-Y432 HydrophobicContact CG2-CG 4.32Å; Y432-R443 WeakPolarHBondContact O-CA 3.47Å; Y432-R443 VanDerWaalsContact O-CB 3.24Å; Y432-R443 WeakPolarHBondContact O-CB 3.48Å; Y432-G444 PolarHBondContact O-N 2.95Å |
| 433 | Y | 90.1 | Very high | 88.1 | Confident | 34 Ų | 34 | 62 Ų | 62 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.8 | 174.3 | -60.9 | -97.6 | 0 | 0 | 0 | 109.9 | Y349 C423 N425 D427 N431 D451 | Y349-Y433 HydrophobicContact CE2-CD1 4.47Å; Y349-Y433 AromaticContact CE2-CE1 3.64Å; Y349-Y433 HydrophobicContact CE2-CE1 3.64Å; Y349-Y433 HydrophobicContact CE2-CE2 4.29Å; Y349-Y433 AromaticContact CE2-CZ 3.51Å; Y349-Y433 WeakPolarHBondContact CE2-OH 3.36Å; Y349-Y433 AromaticContact CZ-CE1 3.69Å; Y349-Y433 AromaticContact CZ-CZ 3.61Å; Y349-Y433 WeakPolarHBondContact OH-CE1 3.24Å; Y349-Y433 PolarHBondContact OH-OH 2.86Å; C423-Y433 CarbonylContact C-O 3.45Å; C423-Y433 VanDerWaalsContact CA-O 3.3Å; C423-Y433 WeakPolarHBondContact CA-O 3.47Å; N425-Y433 PolarHBondContact N-O 3.16Å; N425-Y433 PolarHBondContact O-N 3.2Å; D427-Y433 HydrophobicContact CB-CE2 3.62Å; D427-Y433 PolarHBondContact OD2-OH 3.48Å; N431-Y433 HydrophobicContact CB-CE2 3.78Å; N431-Y433 WeakPolarHBondContact O-CD2 3.38Å; N431-Y433 WeakPolarHBondContact O-CE2 3.35Å; Y433-D451 VanDerWaalsContact CD1-OD2 3.24Å; Y433-D451 WeakPolarHBondContact CD1-OD2 3.19Å; Y433-D451 WeakPolarHBondContact CE1-OD2 3.47Å |
| 434 | C | 91.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | trans | -87 | 162.5 | 172.3 | -49.2 | 0 | 0 | 0 | 0 | 111.6 | N422 C423 R436 M442 G447 | N422-C434 CarbonylContact O-C 3.5Å; N422-C434 WeakPolarHBondContact O-CA 3.4Å; C423-C434 HydrophobicContact CB-CB 4.08Å; C423-C434 WeakPolarHBondContact CB-SG 3.44Å; C423-C434 WeakPolarHBondContact SG-CB 3.27Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.48Å; C434-R436 PolarHBondContact O-N 3.43Å; C434-M442 HydrophobicContact CB-CB 3.95Å; C434-M442 VanDerWaalsContact CB-O 3.24Å; C434-M442 WeakPolarHBondContact CB-O 3.25Å; C434-M442 PolarHBondContact N-O 3.26Å; C434-M442 VanDerWaalsContact SG-C 3.54Å; C434-M442 PolarHBondContact SG-O 2.73Å; C434-G447 WeakPolarHBondContact SG-CA 3.12Å | ||
| 435 | N | 80.1 | Confident | 88.5 | Confident | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | trans | -55.3 | 125 | 173.1 | -171.4 | 2.8 | 0 | 0 | 0 | 109.9 | N422 D437 | N422-N435 HydrophobicContact CB-CB 4.4Å; N422-N435 PolarHBondContact O-N 3.09Å; N435-D437 VanDerWaalsContact CG-OD2 3.29Å; N435-D437 PolarHBondContact ND2-OD2 3.12Å; N435-D437 PolarHBondContact O-N 3.06Å; N435-D437 PolarHBondContact OD1-OD1 3.21Å; N435-D437 PolarHBondContact OD1-OD2 3.28Å | ||
| 436 | R | 79.7 | Confident | 88.6 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 33.3 | -173.5 | -67.4 | -175.4 | 172.9 | 172.8 | -4.1 | 112.4 | C434 Y441 D451 | C434-R436 PolarHBondContact O-N 3.43Å; R436-Y441 HydrophobicContact CB-CD1 3.67Å; R436-Y441 HydrophobicContact CB-CE1 3.8Å; R436-Y441 HydrophobicContact CB-CG 4.29Å; R436-Y441 HydrophobicContact CG-CD1 4Å; R436-Y441 HydrophobicContact CG-CG 4.14Å; R436-Y441 WeakPolarHBondContact O-CE1 3.32Å; R436-D451 IonicContact CZ-OD2 3.56Å; R436-D451 IonicContact NE-OD2 2.65Å; R436-D451 IonicContact NH2-OD2 3.28Å; R436-D451 PolarHBondContact NH2-OD2 2.92Å |
| 437 | D | 82 | Confident | 88.6 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 73% | 0.733 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15 | -177.8 | -68.4 | -15.2 | 0 | 0 | 0 | 112.7 | N435 | N435-D437 VanDerWaalsContact CG-OD2 3.29Å; N435-D437 PolarHBondContact ND2-OD2 3.12Å; N435-D437 PolarHBondContact O-N 3.06Å; N435-D437 PolarHBondContact OD1-OD1 3.21Å; N435-D437 PolarHBondContact OD1-OD2 3.28Å |
| 438 | Q | 84.8 | Confident | 88.6 | Confident | 158 Ų | 158 | 52.9 Ų | 52.9 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -136.7 | 138.7 | -179.8 | -175.1 | 173.6 | -8.6 | 0 | 0 | 110.6 | P440 Y441 | Q438-P440 CarbonylContact O-C 3.54Å; Q438-Y441 WeakPolarHBondContact O-CD1 3.28Å |
| 439 | L | 87.6 | Confident | 88.7 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.366 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -85.4 | 147.6 | 171.3 | -72.4 | 166.4 | 0 | 0 | 0 | 111.1 | Y441 Q482 | L439-Y441 HydrophobicContact CD2-CD1 4.03Å; L439-Y441 HydrophobicContact CD2-CD2 3.76Å; L439-Y441 HydrophobicContact CD2-CE1 3.8Å; L439-Y441 HydrophobicContact CD2-CE2 3.56Å; L439-Y441 HydrophobicContact CD2-CG 4.02Å; L439-Y441 HydrophobicContact CG-CE1 4.18Å; L439-Q482 HydrophobicContact CD1-CG 4.23Å; L439-Q482 HydrophobicContact CD2-CG 3.93Å |
| 440 | P | 91 | Very high | 88.9 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | S | Bend | cis | -64.2 | 144 | -10.9 | 25.7 | -32.4 | 0 | 0 | 0 | 111.7 | Q438 M442 D479 S480 | Q438-P440 CarbonylContact O-C 3.54Å; P440-M442 HydrophobicContact CB-SD 4.21Å; P440-M442 HydrophobicContact CG-SD 3.95Å; P440-M442 WeakPolarHBondContact O-CG 3.37Å; P440-D479 HydrophobicContact CB-CB 3.86Å; P440-S480 VanDerWaalsContact CA-OG 3.27Å; P440-S480 WeakPolarHBondContact CA-OG 3.1Å; P440-S480 WeakPolarHBondContact CB-OG 3.46Å |
| 441 | Y | 93.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 45 Ų | 45 | 21% | 0.212 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 137.6 | 170 | -58.5 | -42.9 | 0 | 0 | 0 | 109 | R436 Q438 L439 P450 D451 L453 S480 Q482 | R436-Y441 HydrophobicContact CB-CD1 3.67Å; R436-Y441 HydrophobicContact CB-CE1 3.8Å; R436-Y441 HydrophobicContact CB-CG 4.29Å; R436-Y441 HydrophobicContact CG-CD1 4Å; R436-Y441 HydrophobicContact CG-CG 4.14Å; R436-Y441 WeakPolarHBondContact O-CE1 3.32Å; Q438-Y441 WeakPolarHBondContact O-CD1 3.28Å; L439-Y441 HydrophobicContact CD2-CD1 4.03Å; L439-Y441 HydrophobicContact CD2-CD2 3.76Å; L439-Y441 HydrophobicContact CD2-CE1 3.8Å; L439-Y441 HydrophobicContact CD2-CE2 3.56Å; L439-Y441 HydrophobicContact CD2-CG 4.02Å; L439-Y441 HydrophobicContact CG-CE1 4.18Å; Y441-P450 CarbonylContact O-C 3.39Å; Y441-P450 WeakPolarHBondContact O-CA 3.4Å; Y441-D451 PolarHBondContact O-N 3.2Å; Y441-L453 HydrophobicContact CD2-CD1 3.76Å; Y441-L453 HydrophobicContact CD2-CD2 3.83Å; Y441-L453 HydrophobicContact CD2-CG 4.05Å; Y441-L453 HydrophobicContact CE2-CD1 3.84Å; Y441-L453 HydrophobicContact CE2-CD2 4.45Å; Y441-S480 PolarHBondContact N-OG 3.05Å; Y441-Q482 HydrophobicContact CE2-CB 4.13Å |
| 442 | M | 93.1 | Very high | 89.3 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 158.7 | -174.2 | -54.2 | -57.8 | -78.6 | 0 | 0 | 111.5 | C434 P440 G447 Q448 I449 P450 | C434-M442 HydrophobicContact CB-CB 3.95Å; C434-M442 VanDerWaalsContact CB-O 3.24Å; C434-M442 WeakPolarHBondContact CB-O 3.25Å; C434-M442 PolarHBondContact N-O 3.26Å; C434-M442 VanDerWaalsContact SG-C 3.54Å; C434-M442 PolarHBondContact SG-O 2.73Å; P440-M442 HydrophobicContact CB-SD 4.21Å; P440-M442 HydrophobicContact CG-SD 3.95Å; P440-M442 WeakPolarHBondContact O-CG 3.37Å; M442-G447 WeakPolarHBondContact CB-O 3.21Å; M442-G447 WeakPolarHBondContact CE-O 3.17Å; M442-Q448 WeakPolarHBondContact CE-O 3.49Å; M442-I449 CarbonylContact C-O 3.56Å; M442-I449 WeakPolarHBondContact CA-O 3.5Å; M442-P450 HydrophobicContact SD-CB 4.25Å |
| 443 | R | 92.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 177.8 | 178.2 | 62.3 | 174.8 | -178.9 | 102.4 | -8.1 | 111.6 | D350 Y432 I449 P450 D451 V458 | D350-R443 IonicContact OD1-CZ 3.7Å; D350-R443 IonicContact OD1-NH2 3.88Å; D350-R443 PolarHBondContact OD1-NH2 2.95Å; D350-R443 IonicContact OD2-CZ 3.75Å; D350-R443 IonicContact OD2-NH1 3.13Å; D350-R443 PolarHBondContact OD2-NH1 2.87Å; D350-R443 IonicContact OD2-NH2 3.23Å; D350-R443 PolarHBondContact OD2-NH2 2.82Å; Y432-R443 WeakPolarHBondContact O-CA 3.47Å; Y432-R443 VanDerWaalsContact O-CB 3.24Å; Y432-R443 WeakPolarHBondContact O-CB 3.48Å; R443-I449 HydrophobicContact CG-CB 4.25Å; R443-I449 HydrophobicContact CG-CG2 4.14Å; R443-I449 WeakPolarHBondContact CG-O 3.32Å; R443-I449 PolarHBondContact N-O 3.47Å; R443-P450 PolarHBondContact NE-O 2.76Å; R443-P450 VanDerWaalsContact NE-O 3.09Å; R443-D451 HydrophobicContact CB-CB 4.1Å; R443-D451 HydrophobicContact CG-CB 4.1Å; R443-V458 VanDerWaalsContact NH2-CG2 3.29Å |
| 444 | G | 91.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 79.1 | 165.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112 | C423 Y432 T446 G447 | C423-G444 WeakPolarHBondContact CB-O 3.33Å; Y432-G444 PolarHBondContact O-N 2.95Å; G444-T446 PolarHBondContact O-N 2.89Å; G444-G447 PolarHBondContact O-N 2.62Å |
| 445 | P | 90.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -65.3 | -24.3 | -176.2 | 27.8 | -36.8 | 0 | 0 | 0 | 113.4 | Y315 F376 I419 N420 | Y315-P445 HydrophobicContact CD2-CB 4.04Å; Y315-P445 HydrophobicContact CD2-CG 4.27Å; Y315-P445 HydrophobicContact CE2-CB 4.49Å; Y315-P445 WeakPolarHBondContact O-CG 3.34Å; F376-P445 VanDerWaalsContact CD1-CD 3.44Å; F376-P445 HydrophobicContact CD1-CG 3.75Å; F376-P445 VanDerWaalsContact CE1-CD 3.48Å; F376-P445 HydrophobicContact CE1-CG 3.8Å; F376-P445 HydrophobicContact CG-CG 4.48Å; I419-P445 CarbonylContact C-O 3.54Å; I419-P445 WeakPolarHBondContact CA-O 3.45Å; I419-P445 HydrophobicContact CG1-CB 4.25Å; I419-P445 HydrophobicContact CG2-CB 4.48Å; N420-P445 PolarHBondContact N-O 3.08Å |
| 446 | T | 88.4 | Confident | 90 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91.4 | -23.1 | 179.3 | 67 | 0 | 0 | 0 | 0 | 113.4 | Y315 N420 G444 Q448 | Y315-T446 HydrophobicContact CD2-CG2 4.37Å; Y315-T446 HydrophobicContact CE1-CG2 4.05Å; Y315-T446 HydrophobicContact CE2-CG2 3.78Å; N420-T446 WeakPolarHBondContact CB-O 3.39Å; N420-T446 PolarHBondContact ND2-O 3.09Å; N420-T446 VanDerWaalsContact ND2-O 3.07Å; G444-T446 PolarHBondContact O-N 2.89Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 VanDerWaalsContact CB-OE1 3.24Å; T446-Q448 WeakPolarHBondContact OG1-CB 3.2Å; T446-Q448 PolarHBondContact OG1-N 2.94Å; T446-Q448 PolarHBondContact OG1-OE1 3.03Å |
| 447 | G | 88.6 | Confident | 90.6 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 70.5 | 26.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C423 C434 M442 G444 | C423-G447 WeakPolarHBondContact SG-CA 3.47Å; C434-G447 WeakPolarHBondContact SG-CA 3.12Å; M442-G447 WeakPolarHBondContact CB-O 3.21Å; M442-G447 WeakPolarHBondContact CE-O 3.17Å; G444-G447 PolarHBondContact O-N 2.62Å |
| 448 | Q | 88.4 | Confident | 91.2 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | trans | -100.8 | -7.7 | 178.3 | -71.5 | 166.5 | -49.1 | 0 | 0 | 113.5 | L300 M442 T446 | L300-Q448 HydrophobicContact CD2-CB 3.29Å; L300-Q448 HydrophobicContact CD2-CG 4.06Å; M442-Q448 WeakPolarHBondContact CE-O 3.49Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 VanDerWaalsContact CB-OE1 3.24Å; T446-Q448 WeakPolarHBondContact OG1-CB 3.2Å; T446-Q448 PolarHBondContact OG1-N 2.94Å; T446-Q448 PolarHBondContact OG1-OE1 3.03Å | ||
| 449 | I | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.9 | 176.9 | -57 | -57.3 | 0 | 0 | 0 | 109.5 | L300 V373 P374 F376 M442 R443 V458 Y468 | L300-I449 HydrophobicContact CD1-CD1 3.97Å; L300-I449 HydrophobicContact CD1-CG1 3.94Å; L300-I449 HydrophobicContact CD2-CD1 4.22Å; L300-I449 HydrophobicContact CG-CD1 4.23Å; V373-I449 HydrophobicContact CG1-CG2 4.48Å; P374-I449 HydrophobicContact CG-CD1 4.11Å; F376-I449 HydrophobicContact CE2-CG1 4.09Å; F376-I449 HydrophobicContact CZ-CG1 4.05Å; M442-I449 CarbonylContact C-O 3.56Å; M442-I449 WeakPolarHBondContact CA-O 3.5Å; R443-I449 HydrophobicContact CG-CB 4.25Å; R443-I449 HydrophobicContact CG-CG2 4.14Å; R443-I449 WeakPolarHBondContact CG-O 3.32Å; R443-I449 PolarHBondContact N-O 3.47Å; I449-V458 HydrophobicContact CG2-CG1 4.15Å; I449-V458 HydrophobicContact CG2-CG2 4.11Å; I449-Y468 HydrophobicContact CD1-CD1 4.1Å; I449-Y468 HydrophobicContact CD1-CD2 3.28Å; I449-Y468 HydrophobicContact CD1-CE1 4.37Å; I449-Y468 HydrophobicContact CD1-CE2 3.59Å; I449-Y468 HydrophobicContact CD1-CG 3.56Å |
| 450 | P | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 146.1 | 175.4 | 29.8 | -34.8 | 0 | 0 | 0 | 111.9 | Y441 M442 R443 V458 Y468 | Y441-P450 CarbonylContact O-C 3.39Å; Y441-P450 WeakPolarHBondContact O-CA 3.4Å; M442-P450 HydrophobicContact SD-CB 4.25Å; R443-P450 PolarHBondContact NE-O 2.76Å; R443-P450 VanDerWaalsContact NE-O 3.09Å; P450-V458 HydrophobicContact CG-CG1 4.35Å; P450-V458 HydrophobicContact CG-CG2 4.26Å; P450-V458 WeakPolarHBondContact O-CG2 3.38Å; P450-Y468 WeakPolarHBondContact CG-O 3.26Å |
| 451 | D | 93.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | trans | -96.3 | 105.3 | 172.3 | -177.6 | 5.4 | 0 | 0 | 0 | 109 | Y433 R436 Y441 R443 L453 S480 | Y433-D451 VanDerWaalsContact CD1-OD2 3.24Å; Y433-D451 WeakPolarHBondContact CD1-OD2 3.19Å; Y433-D451 WeakPolarHBondContact CE1-OD2 3.47Å; R436-D451 IonicContact CZ-OD2 3.56Å; R436-D451 IonicContact NE-OD2 2.65Å; R436-D451 IonicContact NH2-OD2 3.28Å; R436-D451 PolarHBondContact NH2-OD2 2.92Å; Y441-D451 PolarHBondContact O-N 3.2Å; R443-D451 HydrophobicContact CB-CB 4.1Å; R443-D451 HydrophobicContact CG-CB 4.1Å; D451-L453 PolarHBondContact O-N 3.41Å; D451-L453 VanDerWaalsContact O-N 3.1Å; D451-L453 PolarHBondContact OD1-N 3.26Å; D451-S480 WeakPolarHBondContact O-CB 3.16Å | ||
| 452 | C | 93.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | trans | -77.6 | 12.1 | -179.9 | -44.7 | 0 | 0 | 0 | 0 | 113.4 | G454 H455 H457 V458 C470 S480 | C452-G454 PolarHBondContact O-N 3.02Å; C452-H455 PolarHBondContact O-N 3.35Å; C452-H457 VanDerWaalsContact SG-C 3.58Å; C452-H457 PolarHBondContact SG-O 2.97Å; C452-V458 VanDerWaalsContact SG-CG2 3.51Å; C452-C470 WeakPolarHBondContact CA-SG 3.17Å; C452-C470 HydrophobicContact CB-CB 3.84Å; C452-C470 WeakPolarHBondContact CB-SG 3.38Å; C452-C470 PolarHBondContact N-SG 3.07Å; C452-C470 VanDerWaalsContact N-SG 3.39Å; C452-C470 WeakPolarHBondContact SG-CA 3.34Å; C452-C470 WeakPolarHBondContact SG-CB 3.26Å; C452-C470 CovalentContact SG-SG 2.04Å; C452-C470 PolarHBondContact SG-SG 3.13Å; C452-S480 CarbonylContact C-O 3.44Å; C452-S480 WeakPolarHBondContact CA-O 3.47Å | ||
| 453 | L | 90.6 | Very high | 89.8 | Confident | 44 Ų | 44 | 26.5 Ų | 26.5 | 23% | 0.23 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 19.7 | 174.2 | -57 | 177.9 | 0 | 0 | 0 | 115.2 | Y441 D451 H455 Q482 | Y441-L453 HydrophobicContact CD2-CD1 3.76Å; Y441-L453 HydrophobicContact CD2-CD2 3.83Å; Y441-L453 HydrophobicContact CD2-CG 4.05Å; Y441-L453 HydrophobicContact CE2-CD1 3.84Å; Y441-L453 HydrophobicContact CE2-CD2 4.45Å; D451-L453 PolarHBondContact O-N 3.41Å; D451-L453 VanDerWaalsContact O-N 3.1Å; D451-L453 PolarHBondContact OD1-N 3.26Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.24Å; L453-Q482 HydrophobicContact CD1-CB 3.59Å |
| 454 | G | 89.5 | Confident | 89.2 | Confident | 60 Ų | 60 | 35 Ų | 35 | 62% | 0.619 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C452 | C452-G454 PolarHBondContact O-N 3.02Š|
| 455 | H | 94 | Very high | 88.9 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -118.9 | 30.7 | 178 | -61 | -34.5 | 0 | 0 | 0 | 111.7 | C452 L453 C472 D473 Y476 C481 | C452-H455 PolarHBondContact O-N 3.35Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.24Å; H455-C472 WeakPolarHBondContact O-CA 3.4Å; H455-D473 VanDerWaalsContact C-OD2 3.28Å; H455-D473 PolarHBondContact O-N 3.35Å; H455-Y476 HydrophobicContact CB-CD1 3.74Å; H455-Y476 HydrophobicContact CB-CD2 3.9Å; H455-Y476 HydrophobicContact CB-CE1 4.09Å; H455-Y476 HydrophobicContact CB-CE2 4.23Å; H455-Y476 HydrophobicContact CB-CG 3.64Å; H455-Y476 AromaticContact CD2-CD1 3.7Å; H455-Y476 AromaticContact CD2-CE1 3.41Å; H455-Y476 VanDerWaalsContact CD2-CE1 3.41Å; H455-Y476 WeakPolarHBondContact CD2-CE1 3.33Å; H455-Y476 AromaticContact CD2-CZ 3.96Å; H455-Y476 AromaticContact CE1-CE1 3.93Å; H455-Y476 AromaticContact CE1-CZ 3.76Å; H455-Y476 AromaticContact CG-CD1 3.67Å; H455-Y476 AromaticContact CG-CE1 3.52Å; H455-Y476 AromaticContact CG-CZ 3.71Å; H455-Y476 AromaticContact ND1-CE1 3.85Å; H455-Y476 AromaticContact ND1-CE2 3.9Å; H455-Y476 AromaticContact ND1-CZ 3.58Å; H455-Y476 AromaticContact NE2-CE1 3.68Å; H455-Y476 AromaticContact NE2-CZ 3.99Å; H455-C481 HydrophobicContact CB-CB 3.81Å; H455-C481 WeakPolarHBondContact O-CB 3.35Å |
| 456 | G | 92.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -165.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V471 D473 | G456-V471 CarbonylContact C-O 3.41Å; G456-V471 WeakPolarHBondContact CA-O 3.43Å; G456-D473 PolarHBondContact N-OD2 2.91Å |
| 457 | H | 92.5 | Very high | 88.6 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 160.9 | 176.7 | 57.8 | -73.4 | 0 | 0 | 0 | 110.7 | C452 E459 C470 V471 | C452-H457 VanDerWaalsContact SG-C 3.58Å; C452-H457 PolarHBondContact SG-O 2.97Å; H457-E459 IonicContact CD2-OE1 3.52Å; H457-E459 PolarHBondContact CD2-OE1 3.4Å; H457-E459 IonicContact NE2-OE1 3.34Å; H457-C470 WeakPolarHBondContact O-CA 3.38Å; H457-V471 PolarHBondContact N-O 3.46Å; H457-V471 PolarHBondContact ND1-O 2.75Å; H457-V471 PolarHBondContact O-N 3.4Å |
| 458 | V | 93.2 | Very high | 88.7 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139.3 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | V373 R443 I449 P450 C452 Y468 I469 | V373-V458 HydrophobicContact CG1-CB 4.1Å; V373-V458 HydrophobicContact CG1-CG1 3.87Å; V373-V458 HydrophobicContact CG2-CB 4.04Å; V373-V458 HydrophobicContact CG2-CG1 3.88Å; V373-V458 VanDerWaalsContact CG2-O 3.26Å; V373-V458 WeakPolarHBondContact CG2-O 3.48Å; R443-V458 VanDerWaalsContact NH2-CG2 3.29Å; I449-V458 HydrophobicContact CG2-CG1 4.15Å; I449-V458 HydrophobicContact CG2-CG2 4.11Å; P450-V458 HydrophobicContact CG-CG1 4.35Å; P450-V458 HydrophobicContact CG-CG2 4.26Å; P450-V458 WeakPolarHBondContact O-CG2 3.38Å; C452-V458 VanDerWaalsContact SG-CG2 3.51Å; V458-Y468 HydrophobicContact CG1-CD1 3.95Å; V458-Y468 HydrophobicContact CG1-CG 4.35Å; V458-I469 WeakPolarHBondContact CA-O 3.22Å |
| 459 | E | 90.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.4 | 169.8 | -68.6 | -61.8 | 161.9 | 0 | 0 | 109.4 | P356 Y359 H457 Y468 I469 V471 | P356-E459 WeakPolarHBondContact CD-OE1 3.28Å; Y359-E459 HydrophobicContact CD1-CB 3.85Å; Y359-E459 HydrophobicContact CD1-CG 4.43Å; Y359-E459 HydrophobicContact CD2-CB 4.32Å; Y359-E459 HydrophobicContact CD2-CG 4.01Å; Y359-E459 HydrophobicContact CE1-CB 3.93Å; Y359-E459 HydrophobicContact CE1-CG 4.49Å; Y359-E459 HydrophobicContact CE2-CB 4.4Å; Y359-E459 HydrophobicContact CE2-CG 4.08Å; Y359-E459 HydrophobicContact CG-CB 4.06Å; Y359-E459 HydrophobicContact CG-CG 4.2Å; H457-E459 IonicContact CD2-OE1 3.52Å; H457-E459 PolarHBondContact CD2-OE1 3.4Å; H457-E459 IonicContact NE2-OE1 3.34Å; E459-Y468 CarbonylContact O-C 3.58Å; E459-Y468 VanDerWaalsContact O-CA 3.27Å; E459-Y468 WeakPolarHBondContact O-CA 3.2Å; E459-I469 PolarHBondContact N-O 3.36Å; E459-I469 PolarHBondContact O-N 3.44Å; E459-V471 HydrophobicContact CB-CG2 4.08Å; E459-V471 HydrophobicContact CG-CG2 3.82Å |
| 460 | Y | 87 | Confident | 88.9 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.4 | 167.6 | -170.1 | -86.8 | 0 | 0 | 0 | 109.5 | P303 F462 E466 Y468 | P303-Y460 HydrophobicContact CB-CD2 4.01Å; P303-Y460 HydrophobicContact CB-CE2 3.86Å; P303-Y460 HydrophobicContact CB-CG 4.45Å; P303-Y460 HydrophobicContact CG-CD2 3.99Å; P303-Y460 HydrophobicContact CG-CE1 4.15Å; P303-Y460 HydrophobicContact CG-CE2 3.31Å; P303-Y460 WeakPolarHBondContact CG-OH 3.37Å; Y460-F462 AromaticContact CD1-CD1 3.94Å; Y460-F462 HydrophobicContact CD1-CD1 3.94Å; Y460-F462 AromaticContact CD1-CD2 3.46Å; Y460-F462 HydrophobicContact CD1-CD2 3.46Å; Y460-F462 VanDerWaalsContact CD1-CD2 3.46Å; Y460-F462 AromaticContact CD1-CE1 3.7Å; Y460-F462 HydrophobicContact CD1-CE1 3.7Å; Y460-F462 AromaticContact CD1-CE2 3.14Å; Y460-F462 HydrophobicContact CD1-CE2 3.14Å; Y460-F462 AromaticContact CD1-CG 3.81Å; Y460-F462 HydrophobicContact CD1-CG 3.81Å; Y460-F462 AromaticContact CD1-CZ 3.28Å; Y460-F462 HydrophobicContact CD1-CZ 3.28Å; Y460-F462 AromaticContact CE1-CD1 3.6Å; Y460-F462 HydrophobicContact CE1-CD1 3.6Å; Y460-F462 HydrophobicContact CE1-CD2 4.01Å; Y460-F462 AromaticContact CE1-CE1 3.36Å; Y460-F462 HydrophobicContact CE1-CE1 3.36Å; Y460-F462 AromaticContact CE1-CE2 3.77Å; Y460-F462 HydrophobicContact CE1-CE2 3.77Å; Y460-F462 AromaticContact CE1-CG 3.9Å; Y460-F462 HydrophobicContact CE1-CG 3.9Å; Y460-F462 AromaticContact CE1-CZ 3.43Å; Y460-F462 HydrophobicContact CE1-CZ 3.43Å; Y460-F462 VanDerWaalsContact CE1-CZ 3.43Å; Y460-F462 HydrophobicContact CG-CE2 4.05Å; Y460-F462 HydrophobicContact CG-CZ 4.26Å; Y460-F462 PolarHBondContact O-N 2.89Å; Y460-E466 VanDerWaalsContact CZ-C 3.48Å; Y460-E466 VanDerWaalsContact OH-C 3.22Å; Y460-E466 PolarHBondContact OH-O 3.19Å; Y460-Y468 AromaticContact CD2-CD1 3.85Å; Y460-Y468 HydrophobicContact CD2-CD1 3.85Å; Y460-Y468 AromaticContact CD2-CD2 3.96Å; Y460-Y468 HydrophobicContact CD2-CD2 3.96Å; Y460-Y468 AromaticContact CD2-CE1 3.8Å; Y460-Y468 HydrophobicContact CD2-CE1 3.8Å; Y460-Y468 AromaticContact CD2-CE2 3.92Å; Y460-Y468 HydrophobicContact CD2-CE2 3.92Å; Y460-Y468 AromaticContact CD2-CG 3.93Å; Y460-Y468 HydrophobicContact CD2-CG 3.93Å; Y460-Y468 AromaticContact CD2-CZ 3.83Å; Y460-Y468 HydrophobicContact CE2-CD2 4.46Å; Y460-Y468 HydrophobicContact CE2-CE2 4.4Å; Y460-Y468 HydrophobicContact CG-CD1 4.37Å; Y460-Y468 HydrophobicContact CG-CE1 4.25Å |
| 461 | D | 86.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 99.7 | 179.6 | 173.2 | 23.9 | 0 | 0 | 0 | 110.8 | Y359 A463 F464 A465 E466 A467 I469 | Y359-D461 HydrophobicContact CE1-CB 4.33Å; D461-A463 PolarHBondContact OD1-N 3.09Å; D461-F464 PolarHBondContact OD1-N 3.15Å; D461-F464 WeakPolarHBondContact OD2-CB 3.24Å; D461-F464 PolarHBondContact OD2-N 3.31Å; D461-A465 HydrophobicContact CB-CB 4.17Å; D461-A465 WeakPolarHBondContact OD2-CB 3.4Å; D461-A465 PolarHBondContact OD2-N 3.38Å; D461-E466 VanDerWaalsContact O-CA 3.23Å; D461-E466 WeakPolarHBondContact O-CA 3.32Å; D461-E466 PolarHBondContact O-N 2.65Å; D461-A467 PolarHBondContact N-O 2.94Å; D461-I469 HydrophobicContact CB-CD1 3.66Å; D461-I469 HydrophobicContact CB-CG1 3.93Å; D461-I469 HydrophobicContact CB-CG2 4.39Å |
| 462 | F | 79.8 | Confident | 89 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -26.1 | 175.9 | -78.5 | -80.9 | 0 | 0 | 0 | 113.8 | M304 F361 P371 Y460 | M304-F462 HydrophobicContact CG-CE1 4.01Å; F361-F462 HydrophobicContact CB-CB 4.45Å; F361-F462 HydrophobicContact CB-CD2 4.2Å; F361-F462 HydrophobicContact CB-CG 4.13Å; F361-F462 HydrophobicContact CD1-CD1 4.17Å; F361-F462 AromaticContact CD1-CD2 3.36Å; F361-F462 HydrophobicContact CD1-CD2 3.36Å; F361-F462 AromaticContact CD1-CE1 3.96Å; F361-F462 HydrophobicContact CD1-CE1 3.96Å; F361-F462 AromaticContact CD1-CE2 3.12Å; F361-F462 HydrophobicContact CD1-CE2 3.12Å; F361-F462 AromaticContact CD1-CG 3.91Å; F361-F462 HydrophobicContact CD1-CG 3.91Å; F361-F462 AromaticContact CD1-CZ 3.46Å; F361-F462 HydrophobicContact CD1-CZ 3.46Å; F361-F462 VanDerWaalsContact CD1-CZ 3.46Å; F361-F462 HydrophobicContact CD2-CD1 4.36Å; F361-F462 HydrophobicContact CD2-CE1 4.24Å; F361-F462 HydrophobicContact CD2-CZ 4.47Å; F361-F462 HydrophobicContact CE1-CD1 4.43Å; F361-F462 AromaticContact CE1-CD2 3.88Å; F361-F462 HydrophobicContact CE1-CD2 3.88Å; F361-F462 AromaticContact CE1-CE1 3.76Å; F361-F462 HydrophobicContact CE1-CE1 3.76Å; F361-F462 AromaticContact CE1-CE2 3.11Å; F361-F462 HydrophobicContact CE1-CE2 3.11Å; F361-F462 HydrophobicContact CE1-CG 4.49Å; F361-F462 AromaticContact CE1-CZ 3.05Å; F361-F462 HydrophobicContact CE1-CZ 3.05Å; F361-F462 HydrophobicContact CE2-CE1 4.04Å; F361-F462 HydrophobicContact CE2-CZ 4.14Å; F361-F462 HydrophobicContact CG-CD1 4.12Å; F361-F462 AromaticContact CG-CD2 3.92Å; F361-F462 HydrophobicContact CG-CD2 3.92Å; F361-F462 HydrophobicContact CG-CE1 4.19Å; F361-F462 HydrophobicContact CG-CE2 4.01Å; F361-F462 HydrophobicContact CG-CG 4Å; F361-F462 HydrophobicContact CG-CZ 4.16Å; F361-F462 AromaticContact CZ-CE1 3.77Å; F361-F462 HydrophobicContact CZ-CE1 3.77Å; F361-F462 AromaticContact CZ-CE2 3.97Å; F361-F462 HydrophobicContact CZ-CE2 3.97Å; F361-F462 AromaticContact CZ-CZ 3.41Å; F361-F462 HydrophobicContact CZ-CZ 3.41Å; F361-F462 VanDerWaalsContact CZ-CZ 3.41Å; P371-F462 HydrophobicContact CB-CE2 3.87Å; P371-F462 HydrophobicContact CB-CZ 4.37Å; P371-F462 HydrophobicContact CG-CE2 3.75Å; Y460-F462 AromaticContact CD1-CD1 3.94Å; Y460-F462 HydrophobicContact CD1-CD1 3.94Å; Y460-F462 AromaticContact CD1-CD2 3.46Å; Y460-F462 HydrophobicContact CD1-CD2 3.46Å; Y460-F462 VanDerWaalsContact CD1-CD2 3.46Å; Y460-F462 AromaticContact CD1-CE1 3.7Å; Y460-F462 HydrophobicContact CD1-CE1 3.7Å; Y460-F462 AromaticContact CD1-CE2 3.14Å; Y460-F462 HydrophobicContact CD1-CE2 3.14Å; Y460-F462 AromaticContact CD1-CG 3.81Å; Y460-F462 HydrophobicContact CD1-CG 3.81Å; Y460-F462 AromaticContact CD1-CZ 3.28Å; Y460-F462 HydrophobicContact CD1-CZ 3.28Å; Y460-F462 AromaticContact CE1-CD1 3.6Å; Y460-F462 HydrophobicContact CE1-CD1 3.6Å; Y460-F462 HydrophobicContact CE1-CD2 4.01Å; Y460-F462 AromaticContact CE1-CE1 3.36Å; Y460-F462 HydrophobicContact CE1-CE1 3.36Å; Y460-F462 AromaticContact CE1-CE2 3.77Å; Y460-F462 HydrophobicContact CE1-CE2 3.77Å; Y460-F462 AromaticContact CE1-CG 3.9Å; Y460-F462 HydrophobicContact CE1-CG 3.9Å; Y460-F462 AromaticContact CE1-CZ 3.43Å; Y460-F462 HydrophobicContact CE1-CZ 3.43Å; Y460-F462 VanDerWaalsContact CE1-CZ 3.43Å; Y460-F462 HydrophobicContact CG-CE2 4.05Å; Y460-F462 HydrophobicContact CG-CZ 4.26Å; Y460-F462 PolarHBondContact O-N 2.89Å |
| 463 | A | 77.8 | Confident | 89 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -33.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D461 | D461-A463 PolarHBondContact OD1-N 3.09Š|
| 464 | F | 80.5 | Confident | 89 | Confident | 186 Ų | 186 | 57.8 Ų | 57.8 | 82% | 0.816 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | -51.8 | -173.5 | -51.1 | -82.6 | 0 | 0 | 0 | 113.7 | D461 | D461-F464 PolarHBondContact OD1-N 3.15Å; D461-F464 WeakPolarHBondContact OD2-CB 3.24Å; D461-F464 PolarHBondContact OD2-N 3.31Å |
| 465 | A | 84.1 | Confident | 89.3 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -25.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D461 A467 I469 | D461-A465 HydrophobicContact CB-CB 4.17Å; D461-A465 WeakPolarHBondContact OD2-CB 3.4Å; D461-A465 PolarHBondContact OD2-N 3.38Å; A465-A467 HydrophobicContact CB-CB 4.21Å; A465-A467 PolarHBondContact O-N 3.08Å; A465-I469 HydrophobicContact CB-CG2 3.95Å |
| 466 | E | 85 | Confident | 89.5 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 50.4 | 35.9 | -167.4 | -61.6 | -176.9 | 170.5 | 0 | 0 | 112.2 | Y460 D461 | Y460-E466 VanDerWaalsContact CZ-C 3.48Å; Y460-E466 VanDerWaalsContact OH-C 3.22Å; Y460-E466 PolarHBondContact OH-O 3.19Å; D461-E466 VanDerWaalsContact O-CA 3.23Å; D461-E466 WeakPolarHBondContact O-CA 3.32Å; D461-E466 PolarHBondContact O-N 2.65Å |
| 467 | A | 87.4 | Confident | 89.7 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 163.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112 | D461 A465 I469 | D461-A467 PolarHBondContact N-O 2.94Å; A465-A467 HydrophobicContact CB-CB 4.21Å; A465-A467 PolarHBondContact O-N 3.08Å; A467-I469 PolarHBondContact O-N 3.17Å |
| 468 | Y | 90.5 | Very high | 89.7 | Confident | 27 Ų | 27 | 56 Ų | 56 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.4 | 167.8 | -66.3 | -75.6 | 0 | 0 | 0 | 110.2 | L300 V373 P374 I449 P450 V458 E459 Y460 | L300-Y468 HydrophobicContact CG-CE2 4.43Å; V373-Y468 HydrophobicContact CG2-CE1 4.49Å; P374-Y468 WeakPolarHBondContact CD-OH 3.19Å; P374-Y468 HydrophobicContact CG-CE2 4.36Å; I449-Y468 HydrophobicContact CD1-CD1 4.1Å; I449-Y468 HydrophobicContact CD1-CD2 3.28Å; I449-Y468 HydrophobicContact CD1-CE1 4.37Å; I449-Y468 HydrophobicContact CD1-CE2 3.59Å; I449-Y468 HydrophobicContact CD1-CG 3.56Å; P450-Y468 WeakPolarHBondContact CG-O 3.26Å; V458-Y468 HydrophobicContact CG1-CD1 3.95Å; V458-Y468 HydrophobicContact CG1-CG 4.35Å; E459-Y468 CarbonylContact O-C 3.58Å; E459-Y468 VanDerWaalsContact O-CA 3.27Å; E459-Y468 WeakPolarHBondContact O-CA 3.2Å; Y460-Y468 AromaticContact CD2-CD1 3.85Å; Y460-Y468 HydrophobicContact CD2-CD1 3.85Å; Y460-Y468 AromaticContact CD2-CD2 3.96Å; Y460-Y468 HydrophobicContact CD2-CD2 3.96Å; Y460-Y468 AromaticContact CD2-CE1 3.8Å; Y460-Y468 HydrophobicContact CD2-CE1 3.8Å; Y460-Y468 AromaticContact CD2-CE2 3.92Å; Y460-Y468 HydrophobicContact CD2-CE2 3.92Å; Y460-Y468 AromaticContact CD2-CG 3.93Å; Y460-Y468 HydrophobicContact CD2-CG 3.93Å; Y460-Y468 AromaticContact CD2-CZ 3.83Å; Y460-Y468 HydrophobicContact CE2-CD2 4.46Å; Y460-Y468 HydrophobicContact CE2-CE2 4.4Å; Y460-Y468 HydrophobicContact CG-CD1 4.37Å; Y460-Y468 HydrophobicContact CG-CE1 4.25Å |
| 469 | I | 92.4 | Very high | 89.7 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.8 | -179.5 | 64 | 164.3 | 0 | 0 | 0 | 110.9 | Y359 V458 E459 D461 A465 A467 | Y359-I469 HydrophobicContact CE1-CD1 4.41Å; V458-I469 WeakPolarHBondContact CA-O 3.22Å; E459-I469 PolarHBondContact N-O 3.36Å; E459-I469 PolarHBondContact O-N 3.44Å; D461-I469 HydrophobicContact CB-CD1 3.66Å; D461-I469 HydrophobicContact CB-CG1 3.93Å; D461-I469 HydrophobicContact CB-CG2 4.39Å; A465-I469 HydrophobicContact CB-CG2 3.95Å; A467-I469 PolarHBondContact O-N 3.17Å |
| 470 | C | 94 | Very high | 89.9 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.4 | 169 | -76.3 | 0 | 0 | 0 | 0 | 111.3 | C452 H457 D479 | C452-C470 WeakPolarHBondContact CA-SG 3.17Å; C452-C470 HydrophobicContact CB-CB 3.84Å; C452-C470 WeakPolarHBondContact CB-SG 3.38Å; C452-C470 PolarHBondContact N-SG 3.07Å; C452-C470 VanDerWaalsContact N-SG 3.39Å; C452-C470 WeakPolarHBondContact SG-CA 3.34Å; C452-C470 WeakPolarHBondContact SG-CB 3.26Å; C452-C470 CovalentContact SG-SG 2.04Å; C452-C470 PolarHBondContact SG-SG 3.13Å; H457-C470 WeakPolarHBondContact O-CA 3.38Å; C470-D479 WeakPolarHBondContact CB-O 3.4Å |
| 471 | V | 92.9 | Very high | 90.4 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 108.8 | 167.8 | -177 | 0 | 0 | 0 | 0 | 107.9 | Y359 G456 H457 E459 | Y359-V471 HydrophobicContact CE2-CG2 4.24Å; Y359-V471 VanDerWaalsContact OH-CG2 3.27Å; Y359-V471 WeakPolarHBondContact OH-CG2 3.38Å; G456-V471 CarbonylContact C-O 3.41Å; G456-V471 WeakPolarHBondContact CA-O 3.43Å; H457-V471 PolarHBondContact N-O 3.46Å; H457-V471 PolarHBondContact ND1-O 2.75Å; H457-V471 PolarHBondContact O-N 3.4Å; E459-V471 HydrophobicContact CB-CG2 4.08Å; E459-V471 HydrophobicContact CG-CG2 3.82Å |
| 472 | C | 94.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 146.3 | -171.6 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | H455 Y476 G478 C481 | H455-C472 WeakPolarHBondContact O-CA 3.4Å; C472-Y476 WeakPolarHBondContact CB-O 3.47Å; C472-G478 PolarHBondContact SG-O 3.45Å; C472-C481 WeakPolarHBondContact CA-SG 3.31Å; C472-C481 HydrophobicContact CB-CB 3.75Å; C472-C481 WeakPolarHBondContact CB-SG 3.39Å; C472-C481 WeakPolarHBondContact SG-CA 3.35Å; C472-C481 WeakPolarHBondContact SG-CB 3.35Å; C472-C481 CovalentContact SG-SG 2.04Å; C472-C481 PolarHBondContact SG-SG 3.28Å |
| 473 | D | 94.3 | Very high | 91.5 | Very high | 78 Ų | 78 | 63.2 Ų | 63.2 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 156.1 | 170.5 | -69.7 | -30.6 | 0 | 0 | 0 | 110.8 | H455 G456 S475 Y476 | H455-D473 VanDerWaalsContact C-OD2 3.28Å; H455-D473 PolarHBondContact O-N 3.35Å; G456-D473 PolarHBondContact N-OD2 2.91Å; D473-S475 PolarHBondContact O-N 3.2Å; D473-Y476 HydrophobicContact CB-CD2 4.33Å; D473-Y476 PolarHBondContact O-N 2.94Å |
| 474 | N | 91.5 | Very high | 92.3 | Very high | 159 Ų | 159 | 66.7 Ų | 66.7 | 85% | 0.85 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 128.8 | 171 | -69.3 | -26.4 | 0 | 0 | 0 | 109.7 | ||
| 475 | S | 95.3 | Very high | 92.8 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 0.6 | -172.2 | 76.6 | 0 | 0 | 0 | 0 | 117.7 | D473 K484 N485 | D473-S475 PolarHBondContact O-N 3.2Å; S475-K484 CarbonylContact O-C 3.58Å; S475-K484 WeakPolarHBondContact O-CA 3.46Å; S475-N485 PolarHBondContact O-N 3.02Å |
| 476 | Y | 97.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 65.6 Ų | 65.6 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 153.5 | 172.4 | -66.5 | -91 | 0 | 0 | 0 | 112.2 | H455 C472 D473 C481 I483 K484 | H455-Y476 HydrophobicContact CB-CD1 3.74Å; H455-Y476 HydrophobicContact CB-CD2 3.9Å; H455-Y476 HydrophobicContact CB-CE1 4.09Å; H455-Y476 HydrophobicContact CB-CE2 4.23Å; H455-Y476 HydrophobicContact CB-CG 3.64Å; H455-Y476 AromaticContact CD2-CD1 3.7Å; H455-Y476 AromaticContact CD2-CE1 3.41Å; H455-Y476 VanDerWaalsContact CD2-CE1 3.41Å; H455-Y476 WeakPolarHBondContact CD2-CE1 3.33Å; H455-Y476 AromaticContact CD2-CZ 3.96Å; H455-Y476 AromaticContact CE1-CE1 3.93Å; H455-Y476 AromaticContact CE1-CZ 3.76Å; H455-Y476 AromaticContact CG-CD1 3.67Å; H455-Y476 AromaticContact CG-CE1 3.52Å; H455-Y476 AromaticContact CG-CZ 3.71Å; H455-Y476 AromaticContact ND1-CE1 3.85Å; H455-Y476 AromaticContact ND1-CE2 3.9Å; H455-Y476 AromaticContact ND1-CZ 3.58Å; H455-Y476 AromaticContact NE2-CE1 3.68Å; H455-Y476 AromaticContact NE2-CZ 3.99Å; C472-Y476 WeakPolarHBondContact CB-O 3.47Å; D473-Y476 HydrophobicContact CB-CD2 4.33Å; D473-Y476 PolarHBondContact O-N 2.94Å; Y476-C481 WeakPolarHBondContact CD1-O 3.45Å; Y476-I483 CarbonylContact C-O 3.56Å; Y476-I483 VanDerWaalsContact CA-O 3.23Å; Y476-I483 WeakPolarHBondContact CA-O 3.23Å; Y476-K484 HydrophobicContact CD1-CB 4.12Å; Y476-K484 HydrophobicContact CD1-CG 4.45Å; Y476-K484 HydrophobicContact CE1-CB 3.86Å; Y476-K484 HydrophobicContact CE1-CD 4.25Å; Y476-K484 HydrophobicContact CE1-CG 3.99Å |
| 477 | S | 96.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 174.5 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | C481 Q482 I483 N485 | S477-C481 CarbonylContact O-C 3.22Å; S477-C481 WeakPolarHBondContact O-CA 3.49Å; S477-Q482 PolarHBondContact O-N 2.97Å; S477-I483 PolarHBondContact N-O 2.9Å; S477-I483 WeakPolarHBondContact O-CB 3Å; S477-I483 PolarHBondContact O-N 3.31Å; S477-N485 PolarHBondContact OG-OD1 2.85Å |
| 478 | G | 94 | Very high | 94.1 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 92.4 | 165.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C472 S480 C481 | C472-G478 PolarHBondContact SG-O 3.45Å; G478-S480 PolarHBondContact O-N 3.18Å; G478-C481 PolarHBondContact O-N 3.04Å |
| 479 | D | 92.8 | Very high | 94.3 | Very high | 108 Ų | 108 | 64.4 Ų | 64.4 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.1 | -171.8 | -50.4 | -22.9 | 0 | 0 | 0 | 114.6 | P440 C470 | P440-D479 HydrophobicContact CB-CB 3.86Å; C470-D479 WeakPolarHBondContact CB-O 3.4Å |
| 480 | S | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 17.6 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | P440 Y441 D451 C452 G478 Q482 | P440-S480 VanDerWaalsContact CA-OG 3.27Å; P440-S480 WeakPolarHBondContact CA-OG 3.1Å; P440-S480 WeakPolarHBondContact CB-OG 3.46Å; Y441-S480 PolarHBondContact N-OG 3.05Å; D451-S480 WeakPolarHBondContact O-CB 3.16Å; C452-S480 CarbonylContact C-O 3.44Å; C452-S480 WeakPolarHBondContact CA-O 3.47Å; G478-S480 PolarHBondContact O-N 3.18Å; S480-Q482 PolarHBondContact O-N 2.93Å |
| 481 | C | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 56.7 | 30.4 | -177.4 | -49.3 | 0 | 0 | 0 | 0 | 114.2 | H455 C472 Y476 S477 G478 | H455-C481 HydrophobicContact CB-CB 3.81Å; H455-C481 WeakPolarHBondContact O-CB 3.35Å; C472-C481 WeakPolarHBondContact CA-SG 3.31Å; C472-C481 HydrophobicContact CB-CB 3.75Å; C472-C481 WeakPolarHBondContact CB-SG 3.39Å; C472-C481 WeakPolarHBondContact SG-CA 3.35Å; C472-C481 WeakPolarHBondContact SG-CB 3.35Å; C472-C481 CovalentContact SG-SG 2.04Å; C472-C481 PolarHBondContact SG-SG 3.28Å; Y476-C481 WeakPolarHBondContact CD1-O 3.45Å; S477-C481 CarbonylContact O-C 3.22Å; S477-C481 WeakPolarHBondContact O-CA 3.49Å; G478-C481 PolarHBondContact O-N 3.04Å |
| 482 | Q | 94.5 | Very high | 94.5 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | trans | -82.2 | -17.2 | -175.3 | 74.9 | -75 | 1.8 | 0 | 0 | 113.8 | L439 Y441 L453 S477 S480 | L439-Q482 HydrophobicContact CD1-CG 4.23Å; L439-Q482 HydrophobicContact CD2-CG 3.93Å; Y441-Q482 HydrophobicContact CE2-CB 4.13Å; L453-Q482 HydrophobicContact CD1-CB 3.59Å; S477-Q482 PolarHBondContact O-N 2.97Å; S480-Q482 PolarHBondContact O-N 2.93Å | ||
| 483 | I | 94.9 | Very high | 94.5 | Very high | 86 Ų | 86 | 73.6 Ų | 73.6 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.8 | -178.1 | -54.8 | 175.6 | 0 | 0 | 0 | 108.2 | Y476 S477 | Y476-I483 CarbonylContact C-O 3.56Å; Y476-I483 VanDerWaalsContact CA-O 3.23Å; Y476-I483 WeakPolarHBondContact CA-O 3.23Å; S477-I483 PolarHBondContact N-O 2.9Å; S477-I483 WeakPolarHBondContact O-CB 3Å; S477-I483 PolarHBondContact O-N 3.31Å |
| 484 | K | 94.8 | Very high | 94.5 | Very high | 146 Ų | 146 | 73.3 Ų | 73.3 | 64% | 0.635 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.9 | 170.5 | -172 | 175.8 | -178.6 | 174.9 | 0 | 109.6 | S475 Y476 | S475-K484 CarbonylContact O-C 3.58Å; S475-K484 WeakPolarHBondContact O-CA 3.46Å; Y476-K484 HydrophobicContact CD1-CB 4.12Å; Y476-K484 HydrophobicContact CD1-CG 4.45Å; Y476-K484 HydrophobicContact CE1-CB 3.86Å; Y476-K484 HydrophobicContact CE1-CD 4.25Å; Y476-K484 HydrophobicContact CE1-CG 3.99Å |
| 485 | N | 91.9 | Very high | 94.8 | Very high | 150 Ų | 150 | 65.5 Ų | 65.5 | 80% | 0.802 | 35% | 0.352 | S | S | * | . | trans | -85.4 | 0 | -175.9 | -59.9 | -25.8 | 0 | 0 | 0 | 113.4 | S475 S477 | S475-N485 PolarHBondContact O-N 3.02Å; S477-N485 PolarHBondContact OG-OD1 2.85Å |
Retrieved 485 of 485 residues in 468.5 ms
(Link to these results)