| 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 | 39.7 | Very low | 36.9 | Very low | 246 Ų | 246 | 156.6 Ų | 156.6 | 100% | 1.212 | 86% | 0.86 | S | S | * | * | 0 | 122.3 | 0 | -71 | -171.5 | -177.3 | 0 | 0 | 108.1 | |||||
| 2 | A | 35 | Very low | 36.9 | Very low | 107 Ų | 107 | 159.3 Ų | 159.3 | 88% | 0.884 | 86% | 0.857 | S | S | * | * | trans | -76.5 | 123.9 | -166 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 | A2-G4 PolarHBondContact O-N 3.48Š| ||
| 3 | G | 35.6 | Very low | 36.9 | Very low | 81 Ų | 81 | 154.8 Ų | 154.8 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -85 | 99.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R5 | G3-R5 PolarHBondContact O-N 3.49Š| ||
| 4 | G | 32.5 | Very low | 37.5 | Very low | 74 Ų | 74 | 154.4 Ų | 154.4 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | trans | -77 | 112.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A2 | A2-G4 PolarHBondContact O-N 3.48Š| ||
| 5 | R | 37.3 | Very low | 38.1 | Very low | 231 Ų | 231 | 153.5 Ų | 153.5 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -66.5 | 135.9 | 165.1 | -68.9 | -179.1 | -168.2 | -175.3 | 3 | 109.1 | G3 H7 | G3-R5 PolarHBondContact O-N 3.49Å; R5-H7 PolarHBondContact O-N 2.8Å; R5-H7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | P | 39.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -67.4 | 117.7 | 170.4 | 26.3 | -30 | 0 | 0 | 0 | 109.1 | L8 | P6-L8 PolarHBondContact O-N 3.04Š| ||
| 7 | H | 35.5 | Very low | 39.2 | Very low | 183 Ų | 183 | 145 Ų | 145 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 103.7 | 170 | -108 | -98.2 | 0 | 0 | 0 | 108.9 | R5 K9 | R5-H7 PolarHBondContact O-N 2.8Å; R5-H7 VanDerWaalsContact O-N 3.16Å; H7-K9 PolarHBondContact O-N 3.23Å | ||
| 8 | L | 37.6 | Very low | 40.1 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 90.2 | 163.2 | -166.8 | 76 | 0 | 0 | 0 | 107 | P6 R10 | P6-L8 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.39Å | ||
| 9 | K | 35.8 | Very low | 41.4 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -58 | 99.8 | 163 | -84 | -176.7 | 177.5 | -179.2 | 0 | 105.7 | H7 S11 | H7-K9 PolarHBondContact O-N 3.23Å; K9-S11 PolarHBondContact O-N 3.06Å | ||
| 10 | R | 39.2 | Very low | 42.9 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 84 | 158.2 | -83 | 179.7 | 175.1 | 164.6 | -1.8 | 106.1 | L8 F12 | L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.39Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 2.85Å | ||
| 11 | S | 37.9 | Very low | 44.4 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -58.8 | 109.2 | 155.9 | -144.7 | 0 | 0 | 0 | 0 | 103.8 | K9 S13 | K9-S11 PolarHBondContact O-N 3.06Å; S11-S13 PolarHBondContact O-N 2.92Å | ||
| 12 | F | 37.3 | Very low | 46.3 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -55.2 | 95.1 | 161.5 | -97.5 | -102.8 | 0 | 0 | 0 | 104.8 | R10 I14 | R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 2.85Å; F12-I14 PolarHBondContact O-N 2.68Å | ||
| 13 | S | 36 | Very low | 48.5 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | -67.4 | 85.5 | 161 | -162.7 | 0 | 0 | 0 | 0 | 103.9 | S11 I15 | S11-S13 PolarHBondContact O-N 2.92Å; S13-I15 PolarHBondContact O-N 2.8Å | ||
| 14 | I | 46.2 | Very low | 50.9 | Low | 148 Ų | 148 | 120 Ų | 120 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | trans | -43.4 | 119.1 | 153.5 | -61.2 | 172.3 | 0 | 0 | 0 | 103.1 | F12 P16 | F12-I14 PolarHBondContact O-N 2.68Å; I14-P16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | I | 45.9 | Very low | 53.4 | Low | 141 Ų | 141 | 120.7 Ų | 120.7 | 72% | 0.723 | 60% | 0.603 | S | S | * | * | trans | -26.3 | 120.2 | 176.3 | -61.8 | 159.6 | 0 | 0 | 0 | 107.3 | S13 C17 | S13-I15 PolarHBondContact O-N 2.8Å; I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 2.75Å | ||
| 16 | P | 44.9 | Very low | 55.7 | Low | 78 Ų | 78 | 109.9 Ų | 109.9 | 51% | 0.506 | 56% | 0.563 | S | S | . | * | trans | -53 | 110.8 | 176 | 22.7 | -30.6 | 0 | 0 | 0 | 104.5 | I14 F18 | I14-P16 VanDerWaalsContact O-N 3.11Å; P16-F18 HydrophobicContact CG-CD2 4.29Å; P16-F18 HydrophobicContact CG-CE2 3.91Å; P16-F18 HydrophobicContact CG-CZ 4.43Å; P16-F18 WeakPolarHBondContact O-CD2 2.97Å; P16-F18 PolarHBondContact O-N 3.02Å | ||
| 17 | C | 51 | Low | 57.7 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | trans | -64.8 | 96.3 | 173.2 | -154.1 | 0 | 0 | 0 | 0 | 100.9 | I15 V19 | I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 2.75Å; C17-V19 WeakPolarHBondContact O-CG2 3.42Å; C17-V19 PolarHBondContact O-N 3.39Å | ||
| 18 | F | 54.3 | Low | 60.1 | Low | 171 Ų | 171 | 101.4 Ų | 101.4 | 75% | 0.75 | 51% | 0.51 | S | S | * | . | trans | -59.2 | 98.7 | -178.4 | -87 | -89 | 0 | 0 | 0 | 104 | P16 F20 | P16-F18 HydrophobicContact CG-CD2 4.29Å; P16-F18 HydrophobicContact CG-CE2 3.91Å; P16-F18 HydrophobicContact CG-CZ 4.43Å; P16-F18 WeakPolarHBondContact O-CD2 2.97Å; P16-F18 PolarHBondContact O-N 3.02Å; F18-F20 PolarHBondContact O-N 2.7Å | ||
| 19 | V | 65.3 | Low | 62.3 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | trans | -70.5 | 94.9 | 171.1 | -175.8 | 0 | 0 | 0 | 0 | 102.9 | C17 V21 V124 | C17-V19 WeakPolarHBondContact O-CG2 3.42Å; C17-V19 PolarHBondContact O-N 3.39Å; V19-V21 HydrophobicContact CG1-CG2 4.3Å; V19-V21 PolarHBondContact O-N 2.75Å; V19-V124 HydrophobicContact CG2-CG1 4.06Å | ||
| 20 | F | 71.4 | Confident | 64.7 | Low | 119 Ų | 119 | 91.4 Ų | 91.4 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | trans | -62.8 | 128.3 | 174.5 | -173.2 | -97.6 | 0 | 0 | 0 | 106.4 | F18 E22 V125 T126 G127 | F18-F20 PolarHBondContact O-N 2.7Å; F20-E22 HydrophobicContact CD1-CB 4.31Å; F20-E22 HydrophobicContact CE1-CB 3.92Å; F20-E22 HydrophobicContact CE1-CG 4.22Å; F20-V125 WeakPolarHBondContact CB-O 3.3Å; F20-T126 VanDerWaalsContact CD1-O 3.28Å; F20-T126 WeakPolarHBondContact CD1-O 3.38Å; F20-G127 WeakPolarHBondContact O-CA 3.39Å | ||
| 21 | V | 74.2 | Confident | 67.1 | Low | 30 Ų | 30 | 82.7 Ų | 82.7 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | trans | -113.1 | 103.8 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 106.3 | V19 Q163 | V19-V21 HydrophobicContact CG1-CG2 4.3Å; V19-V21 PolarHBondContact O-N 2.75Å; V21-Q163 HydrophobicContact CB-CG 4.48Å; V21-Q163 HydrophobicContact CG1-CG 4.03Å; V21-Q163 HydrophobicContact CG2-CG 4.36Å | ||
| 22 | E | 79 | Confident | 69.5 | Low | 66 Ų | 66 | 80.3 Ų | 80.3 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | trans | -67 | 133.9 | 173.1 | -160.9 | 169.9 | 175.4 | 0 | 0 | 109 | F20 N128 R177 | F20-E22 HydrophobicContact CD1-CB 4.31Å; F20-E22 HydrophobicContact CE1-CB 3.92Å; F20-E22 HydrophobicContact CE1-CG 4.22Å; E22-N128 PolarHBondContact OE2-OD1 2.93Å; E22-R177 PolarHBondContact O-NH1 3.36Å | ||
| 23 | G | 82 | Confident | 72.2 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | trans | -73.8 | 171.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V160 | G23-V160 CarbonylContact C-O 3.43Å; G23-V160 WeakPolarHBondContact CA-O 3.29Å | ||
| 24 | F | 85.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 0% | 0.004 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155 | 177.7 | 62.2 | -87 | 0 | 0 | 0 | 110.6 | F133 L134 P139 V160 A165 | F24-F133 HydrophobicContact CB-CE1 4.4Å; F24-F133 AromaticContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CZ 4.22Å; F24-F133 HydrophobicContact CE1-CE1 4.05Å; F24-F133 HydrophobicContact CE1-CZ 4.39Å; F24-F133 AromaticContact CG-CE1 3.99Å; F24-F133 HydrophobicContact CG-CE1 3.99Å; F24-L134 HydrophobicContact CD2-CD2 3.68Å; F24-L134 HydrophobicContact CE2-CD2 3.93Å; F24-L134 HydrophobicContact CG-CD2 4.32Å; F24-P139 HydrophobicContact CE2-CB 4.28Å; F24-P139 HydrophobicContact CE2-CG 4.28Å; F24-P139 HydrophobicContact CZ-CB 4.14Å; F24-V160 HydrophobicContact CE1-CB 4.28Å; F24-V160 HydrophobicContact CE1-CG1 4.17Å; F24-V160 HydrophobicContact CE2-CB 4.24Å; F24-V160 HydrophobicContact CZ-CB 4.05Å; F24-V160 HydrophobicContact CZ-CG1 4Å; F24-V160 PolarHBondContact N-O 3.32Å; F24-V160 PolarHBondContact O-N 3.42Å; F24-A165 HydrophobicContact CE1-CB 4.31Å; F24-A165 HydrophobicContact CZ-CB 4.06Å |
| 25 | F | 86.4 | Confident | 77 | Confident | 89 Ų | 89 | 72.3 Ų | 72.3 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.1 | 174.1 | -72.1 | -83.2 | 0 | 0 | 0 | 111.2 | Y27 D28 P156 F159 | F25-Y27 PolarHBondContact O-N 3.37Å; F25-D28 HydrophobicContact CB-CB 4.18Å; F25-D28 PolarHBondContact O-N 2.85Å; F25-P156 HydrophobicContact CB-CB 4.05Å; F25-P156 HydrophobicContact CD1-CB 4.46Å; F25-F159 HydrophobicContact CD1-CB 4.13Å; F25-F159 HydrophobicContact CD1-CD2 4.04Å; F25-F159 AromaticContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CE2 4.31Å; F25-F159 HydrophobicContact CE1-CB 3.89Å; F25-F159 AromaticContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CG 4.29Å; F25-F159 AromaticContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CE2 4.02Å; F25-F159 HydrophobicContact CG-CD2 4.06Å; F25-F159 HydrophobicContact CZ-CB 4.43Å; F25-F159 AromaticContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CE2 4.32Å; F25-F159 HydrophobicContact CZ-CG 4.37Å |
| 26 | C | 84.8 | Confident | 79 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 138.1 | 174.9 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | D28 Y141 C146 R158 | C26-D28 PolarHBondContact O-N 3.12Å; C26-D28 VanDerWaalsContact O-N 3.16Å; C26-Y141 HydrophobicContact CB-CD1 4.37Å; C26-Y141 HydrophobicContact CB-CE1 4.38Å; C26-C146 HydrophobicContact CB-CB 3.54Å; C26-C146 WeakPolarHBondContact CB-SG 3.44Å; C26-C146 WeakPolarHBondContact SG-CB 3.45Å; C26-C146 CovalentContact SG-SG 2.04Å; C26-C146 PolarHBondContact SG-SG 3.37Å; C26-R158 PolarHBondContact N-O 3.45Å; C26-R158 PolarHBondContact SG-O 2.98Å |
| 27 | Y | 80.9 | Confident | 81.1 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25.7 | 178.1 | -56.8 | -75.3 | 0 | 0 | 0 | 115.4 | F25 S29 Y141 C146 | F25-Y27 PolarHBondContact O-N 3.37Å; Y27-S29 PolarHBondContact O-N 3.29Å; Y27-S29 VanDerWaalsContact O-N 3.11Å; Y27-Y141 HydrophobicContact CD1-CE1 4.26Å; Y27-Y141 HydrophobicContact CD1-CE2 4.16Å; Y27-Y141 HydrophobicContact CD2-CD1 4.4Å; Y27-Y141 HydrophobicContact CD2-CE1 4.46Å; Y27-Y141 HydrophobicContact CE1-CD1 4.2Å; Y27-Y141 AromaticContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CE1 4.23Å; Y27-Y141 AromaticContact CE1-CE2 3.71Å; Y27-Y141 HydrophobicContact CE1-CE2 3.71Å; Y27-Y141 AromaticContact CE1-CG 3.94Å; Y27-Y141 HydrophobicContact CE1-CG 3.94Å; Y27-Y141 AromaticContact CE1-CZ 3.98Å; Y27-Y141 AromaticContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CE1 4.44Å; Y27-Y141 HydrophobicContact CE2-CG 4.1Å; Y27-Y141 HydrophobicContact CG-CE1 4.38Å; Y27-Y141 AromaticContact CZ-CD1 3.88Å; Y27-Y141 AromaticContact CZ-CD2 3.79Å; Y27-Y141 AromaticContact CZ-CG 3.58Å; Y27-Y141 WeakPolarHBondContact OH-CB 3.45Å; Y27-C146 HydrophobicContact CE2-CB 4.12Å |
| 28 | D | 85.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | trans | -67.2 | 111.8 | 179.8 | -168.2 | -16.9 | 0 | 0 | 0 | 112.1 | F25 C26 A30 Y31 A32 L134 | F25-D28 HydrophobicContact CB-CB 4.18Å; F25-D28 PolarHBondContact O-N 2.85Å; C26-D28 PolarHBondContact O-N 3.12Å; C26-D28 VanDerWaalsContact O-N 3.16Å; D28-A30 PolarHBondContact O-N 2.78Å; D28-A30 VanDerWaalsContact OD1-CB 3.23Å; D28-A30 WeakPolarHBondContact OD1-CB 3Å; D28-A30 PolarHBondContact OD1-N 2.96Å; D28-Y31 HydrophobicContact CB-CD2 3.97Å; D28-Y31 PolarHBondContact O-N 2.84Å; D28-Y31 VanDerWaalsContact OD2-CD2 3.29Å; D28-Y31 WeakPolarHBondContact OD2-CD2 3.1Å; D28-Y31 VanDerWaalsContact OD2-CE2 3.26Å; D28-Y31 WeakPolarHBondContact OD2-CE2 3.13Å; D28-A32 PolarHBondContact O-N 2.74Å; D28-L134 HydrophobicContact CB-CD1 4.39Å; D28-L134 VanDerWaalsContact O-CD1 3.27Å; D28-L134 WeakPolarHBondContact O-CD1 3.41Å | ||
| 29 | S | 84.8 | Confident | 84.3 | Confident | 92 Ų | 92 | 61.9 Ų | 61.9 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | 179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | Y27 Y31 | Y27-S29 PolarHBondContact O-N 3.29Å; Y27-S29 VanDerWaalsContact O-N 3.11Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.17Å |
| 30 | A | 86.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D28 | D28-A30 PolarHBondContact O-N 2.78Å; D28-A30 VanDerWaalsContact OD1-CB 3.23Å; D28-A30 WeakPolarHBondContact OD1-CB 3Å; D28-A30 PolarHBondContact OD1-N 2.96Å |
| 31 | Y | 88.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -104.5 | 3.3 | -177.5 | -57.7 | -62.2 | 0 | 0 | 0 | 114.1 | D28 S29 P129 T130 P131 H132 F133 L134 H237 | D28-Y31 HydrophobicContact CB-CD2 3.97Å; D28-Y31 PolarHBondContact O-N 2.84Å; D28-Y31 VanDerWaalsContact OD2-CD2 3.29Å; D28-Y31 WeakPolarHBondContact OD2-CD2 3.1Å; D28-Y31 VanDerWaalsContact OD2-CE2 3.26Å; D28-Y31 WeakPolarHBondContact OD2-CE2 3.13Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.17Å; Y31-P129 HydrophobicContact CD1-CB 4.19Å; Y31-P129 HydrophobicContact CD1-CG 4.19Å; Y31-P129 HydrophobicContact CE1-CB 4.14Å; Y31-P129 HydrophobicContact CE1-CG 3.7Å; Y31-T130 WeakPolarHBondContact CD1-O 3.47Å; Y31-P131 CarbonylContact C-O 3.2Å; Y31-P131 WeakPolarHBondContact CA-O 3.28Å; Y31-H132 CarbonylContact O-C 2.93Å; Y31-F133 PolarHBondContact O-N 2.89Å; Y31-L134 WeakPolarHBondContact O-CB 3.37Å; Y31-L134 PolarHBondContact O-N 3.32Å; Y31-H237 AromaticContact CE1-CE1 3.8Å; Y31-H237 AromaticContact CE1-NE2 3.79Å |
| 32 | A | 89.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | trans | -94.2 | 19.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D28 L134 | D28-A32 PolarHBondContact O-N 2.74Å; A32-L134 HydrophobicContact CB-CD1 4.32Å | ||
| 33 | K | 92.6 | Very high | 86.9 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.9 | 178.2 | -57.3 | -58.8 | -178.6 | -170.2 | 0 | 111.2 | P131 H132 S135 Y234 | K33-P131 HydrophobicContact CB-CB 4.41Å; K33-P131 WeakPolarHBondContact CB-O 3.43Å; K33-P131 HydrophobicContact CG-CB 3.94Å; K33-P131 VanDerWaalsContact CG-O 3.32Å; K33-P131 WeakPolarHBondContact CG-O 3.38Å; K33-P131 PolarHBondContact N-O 3.45Å; K33-H132 WeakPolarHBondContact O-CA 3.49Å; K33-S135 WeakPolarHBondContact O-CB 3.42Å; K33-S135 PolarHBondContact O-OG 3.13Å; K33-Y234 HydrophobicContact CB-CD1 4.16Å; K33-Y234 HydrophobicContact CB-CD2 4.11Å; K33-Y234 HydrophobicContact CB-CG 3.8Å; K33-Y234 HydrophobicContact CD-CD1 4.2Å; K33-Y234 HydrophobicContact CD-CE1 4.16Å; K33-Y234 HydrophobicContact CG-CD1 3.86Å; K33-Y234 HydrophobicContact CG-CE1 4.33Å; K33-Y234 HydrophobicContact CG-CG 4.03Å |
| 34 | P | 92.3 | Very high | 87.2 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 145.2 | -178.5 | 26.5 | -35 | 0 | 0 | 0 | 111.4 | P36 Y234 | P34-P36 WeakPolarHBondContact O-CD 3.42Å; P34-Y234 HydrophobicContact CG-CD2 4.44Å; P34-Y234 HydrophobicContact CG-CE2 4.36Å |
| 35 | Y | 91.1 | Very high | 87.5 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 119.9 | 177.5 | 178.4 | -119.8 | 0 | 0 | 0 | 110.6 | G37 H132 S135 V136 | Y35-G37 VanDerWaalsContact CE1-CA 3.42Å; Y35-G37 PolarHBondContact O-N 3.44Å; Y35-G37 VanDerWaalsContact O-N 3.12Å; Y35-H132 AromaticContact CD2-CD2 3.97Å; Y35-S135 PolarHBondContact N-OG 3.39Å; Y35-V136 HydrophobicContact CD2-CG2 3.45Å; Y35-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y35-V136 HydrophobicContact CE2-CG2 3.91Å; Y35-V136 HydrophobicContact CG-CG2 4.17Å |
| 36 | P | 87.8 | Confident | 87.7 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -77.8 | 7.6 | -175.1 | 32.7 | -37.9 | 0 | 0 | 0 | 114.1 | P34 E233 R235 | P34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-E233 WeakPolarHBondContact CB-O 3.2Å; P36-E233 WeakPolarHBondContact CG-O 3.47Å; P36-R235 HydrophobicContact CG-CG 4.02Å; P36-R235 PolarHBondContact O-NH2 3.04Å | ||
| 37 | G | 89.4 | Confident | 88 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | trans | 79.9 | -177 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y35 R235 | Y35-G37 VanDerWaalsContact CE1-CA 3.42Å; Y35-G37 PolarHBondContact O-N 3.44Å; Y35-G37 VanDerWaalsContact O-N 3.12Å; G37-R235 PolarHBondContact O-NH2 3.44Å | ||
| 38 | P | 88.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | trans | -58.1 | 149.8 | 179.5 | -21.2 | 32.4 | 0 | 0 | 0 | 112.7 | A40 A41 R235 | P38-A40 PolarHBondContact O-N 3.26Å; P38-A40 VanDerWaalsContact O-N 3.14Å; P38-A41 PolarHBondContact O-N 3.15Å; P38-R235 PolarHBondContact O-NH2 3.29Å | ||
| 39 | E | 83.7 | Confident | 89 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -59.6 | -27.2 | 179.6 | -64.6 | -167.4 | 162.1 | 0 | 0 | 113.7 | A41 S42 P46 | E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.26Å; E39-S42 WeakPolarHBondContact O-CB 3.31Å; E39-S42 PolarHBondContact O-N 2.77Å; E39-P46 HydrophobicContact CB-CG 4.09Å |
| 40 | A | 84.3 | Confident | 89.5 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 72% | 0.719 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -67.2 | -25 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P38 | P38-A40 PolarHBondContact O-N 3.26Å; P38-A40 VanDerWaalsContact O-N 3.14Å |
| 41 | A | 85.2 | Confident | 89.9 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -90.5 | -1.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P38 E39 | P38-A41 PolarHBondContact O-N 3.15Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.26Å |
| 42 | S | 87.4 | Confident | 90.2 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -61.5 | 147.8 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | E39 A44 P45 R230 E233 R235 | E39-S42 WeakPolarHBondContact O-CB 3.31Å; E39-S42 PolarHBondContact O-N 2.77Å; S42-A44 PolarHBondContact O-N 2.91Å; S42-A44 PolarHBondContact OG-N 3.13Å; S42-A44 VanDerWaalsContact OG-N 3.11Å; S42-A44 PolarHBondContact OG-O 2.63Å; S42-P45 WeakPolarHBondContact O-CD 3.17Å; S42-R230 PolarHBondContact OG-NH1 3.26Å; S42-E233 WeakPolarHBondContact CA-OE1 3.35Å; S42-E233 PolarHBondContact OG-OE1 3.1Å; S42-E233 PolarHBondContact OG-OE2 2.68Å; S42-R235 PolarHBondContact OG-NH1 3.02Å |
| 43 | R | 87.9 | Confident | 90.5 | Very high | 136 Ų | 136 | 63 Ų | 63 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -60 | -25.7 | 168.8 | -67.5 | 178.5 | -179.5 | 149.9 | -1 | 112.4 | P45 V229 E233 | R43-P45 WeakPolarHBondContact O-CD 3.28Å; R43-V229 HydrophobicContact CB-CG1 3.98Å; R43-E233 PolarHBondContact N-OE1 3.33Å |
| 44 | A | 88.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -118.7 | 77.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S42 I49 V229 R230 | S42-A44 PolarHBondContact O-N 2.91Å; S42-A44 PolarHBondContact OG-N 3.13Å; S42-A44 VanDerWaalsContact OG-N 3.11Å; S42-A44 PolarHBondContact OG-O 2.63Å; A44-I49 HydrophobicContact CB-CD1 4.16Å; A44-V229 HydrophobicContact CB-CB 4.41Å; A44-V229 HydrophobicContact CB-CG1 3.83Å; A44-R230 PolarHBondContact O-NH1 2.9Å; A44-R230 VanDerWaalsContact O-NH1 3.12Å; A44-R230 PolarHBondContact O-NH2 3.16Å |
| 45 | P | 91.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | trans | -68 | 145.2 | -178.9 | 27.6 | -31 | 0 | 0 | 0 | 109.9 | S42 R43 A47 L48 I49 | S42-P45 WeakPolarHBondContact O-CD 3.17Å; R43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-A47 PolarHBondContact O-N 3.39Å; P45-A47 VanDerWaalsContact O-N 3.11Å; P45-L48 HydrophobicContact CG-CB 3.87Å; P45-L48 WeakPolarHBondContact O-CB 3.33Å; P45-L48 PolarHBondContact O-N 2.83Å; P45-I49 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 90.1 | Very high | 90.7 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.9 | -34.6 | -177.9 | -26.8 | 33.8 | 0 | 0 | 0 | 113.7 | E39 L48 I49 Y50 | E39-P46 HydrophobicContact CB-CG 4.09Å; P46-L48 VanDerWaalsContact C-N 3.35Å; P46-L48 PolarHBondContact O-N 3.44Å; P46-I49 PolarHBondContact O-N 2.84Å; P46-Y50 HydrophobicContact CB-CD2 4.31Å; P46-Y50 HydrophobicContact CB-CE2 3.9Å; P46-Y50 WeakPolarHBondContact O-CD2 3.41Å; P46-Y50 PolarHBondContact O-N 3Å |
| 47 | A | 91.3 | Very high | 90.9 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 63% | 0.628 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | P45 A51 | P45-A47 PolarHBondContact O-N 3.39Å; P45-A47 VanDerWaalsContact O-N 3.11Å; A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.26Å |
| 48 | L | 93.7 | Very high | 91 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.2 | -179.7 | 72.4 | 0 | 0 | 0 | 110.7 | P45 P46 A51 L52 | P45-L48 HydrophobicContact CG-CB 3.87Å; P45-L48 WeakPolarHBondContact O-CB 3.33Å; P45-L48 PolarHBondContact O-N 2.83Å; P46-L48 VanDerWaalsContact C-N 3.35Å; P46-L48 PolarHBondContact O-N 3.44Å; L48-A51 PolarHBondContact O-N 3.48Å; L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 3.41Å |
| 49 | I | 94.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -50.6 | -179.5 | -67.6 | 158.9 | 0 | 0 | 0 | 110.4 | A44 P45 P46 A51 L52 V53 D184 V226 R230 | A44-I49 HydrophobicContact CB-CD1 4.16Å; P45-I49 PolarHBondContact O-N 3.07Å; P46-I49 PolarHBondContact O-N 2.84Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.31Å; I49-L52 PolarHBondContact O-N 3.35Å; I49-V53 HydrophobicContact CG2-CG2 4.19Å; I49-V53 VanDerWaalsContact O-CB 3.27Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 VanDerWaalsContact O-CG2 3.23Å; I49-V53 WeakPolarHBondContact O-CG2 3.3Å; I49-V53 PolarHBondContact O-N 3.37Å; I49-D184 HydrophobicContact CD1-CB 3.93Å; I49-V226 HydrophobicContact CD1-CG1 4.04Å; I49-V226 HydrophobicContact CG1-CG1 4.33Å; I49-R230 VanDerWaalsContact CD1-NH2 3.25Å |
| 50 | Y | 94.6 | Very high | 91.6 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 178.7 | -64.1 | -47.6 | 0 | 0 | 0 | 112.2 | P46 T54 K183 L187 | P46-Y50 HydrophobicContact CB-CD2 4.31Å; P46-Y50 HydrophobicContact CB-CE2 3.9Å; P46-Y50 WeakPolarHBondContact O-CD2 3.41Å; P46-Y50 PolarHBondContact O-N 3Å; Y50-T54 WeakPolarHBondContact O-CB 3.26Å; Y50-T54 VanDerWaalsContact O-CG2 3.32Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.03Å; Y50-T54 PolarHBondContact O-OG1 3.36Å; Y50-K183 WeakPolarHBondContact OH-CE 3.32Å; Y50-K183 PolarHBondContact OH-NZ 3.41Å; Y50-L187 HydrophobicContact CD1-CD1 4.12Å; Y50-L187 HydrophobicContact CE1-CD1 3.52Å |
| 51 | A | 95.1 | Very high | 91.8 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A47 L48 I49 T54 A55 | A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.26Å; L48-A51 PolarHBondContact O-N 3.48Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.31Å; A51-T54 PolarHBondContact O-N 2.78Å; A51-T54 PolarHBondContact O-OG1 2.97Å; A51-T54 VanDerWaalsContact O-OG1 3.1Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å |
| 52 | L | 94.8 | Very high | 92 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 56% | 0.56 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68 | -42 | 179.5 | -70.4 | 173.4 | 0 | 0 | 0 | 112.7 | L48 I49 T54 G56 | L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 3.41Å; I49-L52 PolarHBondContact O-N 3.35Å; L52-T54 PolarHBondContact O-N 3.02Å; L52-G56 WeakPolarHBondContact O-CA 3.41Å; L52-G56 PolarHBondContact O-N 2.96Å |
| 53 | V | 96 | Very high | 92 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -28.6 | 178.1 | 164.6 | 0 | 0 | 0 | 0 | 111.6 | I49 P57 Y108 L112 L187 A191 | I49-V53 HydrophobicContact CG2-CG2 4.19Å; I49-V53 VanDerWaalsContact O-CB 3.27Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 VanDerWaalsContact O-CG2 3.23Å; I49-V53 WeakPolarHBondContact O-CG2 3.3Å; I49-V53 PolarHBondContact O-N 3.37Å; V53-P57 VanDerWaalsContact O-CD 3.23Å; V53-P57 WeakPolarHBondContact O-CD 3.49Å; V53-P57 WeakPolarHBondContact O-CG 3.32Å; V53-Y108 WeakPolarHBondContact CG1-OH 3.49Å; V53-Y108 PolarHBondContact O-OH 3.25Å; V53-L112 HydrophobicContact CG1-CD1 3.35Å; V53-L112 HydrophobicContact CG1-CD2 4.29Å; V53-L112 HydrophobicContact CG1-CG 4.47Å; V53-L187 HydrophobicContact CG2-CB 4.4Å; V53-A191 HydrophobicContact CB-CB 4.34Å; V53-A191 HydrophobicContact CG1-CB 4.09Å; V53-A191 HydrophobicContact CG2-CB 4.09Å |
| 54 | T | 93.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -90.7 | -48 | 176.6 | 53 | 0 | 0 | 0 | 0 | 112.2 | Y50 A51 L52 T58 L112 | Y50-T54 WeakPolarHBondContact O-CB 3.26Å; Y50-T54 VanDerWaalsContact O-CG2 3.32Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.03Å; Y50-T54 PolarHBondContact O-OG1 3.36Å; A51-T54 PolarHBondContact O-N 2.78Å; A51-T54 PolarHBondContact O-OG1 2.97Å; A51-T54 VanDerWaalsContact O-OG1 3.1Å; L52-T54 PolarHBondContact O-N 3.02Å; T54-T58 WeakPolarHBondContact O-CB 3.35Å; T54-T58 WeakPolarHBondContact O-CG2 3.31Å; T54-T58 PolarHBondContact O-N 3.12Å; T54-T58 PolarHBondContact O-OG1 3.42Å; T54-L112 HydrophobicContact CG2-CD2 4.36Å |
| 55 | A | 94 | Very high | 91.7 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73 | -38 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A51 T58 L59 | A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å; A55-T58 VanDerWaalsContact C-OG1 3.3Å; A55-T58 VanDerWaalsContact CA-OG1 3.23Å; A55-T58 WeakPolarHBondContact CA-OG1 3.32Å; A55-T58 PolarHBondContact O-OG1 3.49Å; A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.94Å |
| 56 | G | 92.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -57.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L52 T58 L59 T60 | L52-G56 WeakPolarHBondContact O-CA 3.41Å; L52-G56 PolarHBondContact O-N 2.96Å; G56-T58 PolarHBondContact O-N 3.48Å; G56-L59 PolarHBondContact O-N 3.25Å; G56-T60 WeakPolarHBondContact O-CB 3.47Å; G56-T60 VanDerWaalsContact O-CG2 3.28Å; G56-T60 WeakPolarHBondContact O-CG2 2.88Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 2.96Å |
| 57 | P | 92.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.5 | -27.2 | 39.5 | 0 | 0 | 0 | 113 | V53 T60 I61 Y108 A191 T195 | V53-P57 VanDerWaalsContact O-CD 3.23Å; V53-P57 WeakPolarHBondContact O-CD 3.49Å; V53-P57 WeakPolarHBondContact O-CG 3.32Å; P57-T60 VanDerWaalsContact CA-OG1 3.28Å; P57-T60 WeakPolarHBondContact CA-OG1 3.47Å; P57-T60 PolarHBondContact O-OG1 3.33Å; P57-I61 WeakPolarHBondContact O-CB 3.35Å; P57-I61 VanDerWaalsContact O-CD1 3.32Å; P57-I61 WeakPolarHBondContact O-CD1 3.34Å; P57-I61 WeakPolarHBondContact O-CG1 3.29Å; P57-I61 PolarHBondContact O-N 3Å; P57-Y108 HydrophobicContact CB-CD1 4.22Å; P57-Y108 HydrophobicContact CB-CD2 4.31Å; P57-Y108 HydrophobicContact CB-CE1 3.86Å; P57-Y108 HydrophobicContact CB-CE2 3.97Å; P57-Y108 HydrophobicContact CB-CG 4.44Å; P57-Y108 HydrophobicContact CG-CE1 4.01Å; P57-Y108 HydrophobicContact CG-CE2 3.9Å; P57-Y108 WeakPolarHBondContact CG-OH 3.32Å; P57-A191 HydrophobicContact CG-CB 4.16Å; P57-T195 WeakPolarHBondContact CG-OG1 3.2Å |
| 58 | T | 91.8 | Very high | 90.4 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.8 | 47.5 | 0 | 0 | 0 | 0 | 112 | T54 A55 G56 I61 L62 L105 | T54-T58 WeakPolarHBondContact O-CB 3.35Å; T54-T58 WeakPolarHBondContact O-CG2 3.31Å; T54-T58 PolarHBondContact O-N 3.12Å; T54-T58 PolarHBondContact O-OG1 3.42Å; A55-T58 VanDerWaalsContact C-OG1 3.3Å; A55-T58 VanDerWaalsContact CA-OG1 3.23Å; A55-T58 WeakPolarHBondContact CA-OG1 3.32Å; A55-T58 PolarHBondContact O-OG1 3.49Å; G56-T58 PolarHBondContact O-N 3.48Å; T58-I61 PolarHBondContact O-N 3.45Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.36Å; T58-L105 HydrophobicContact CG2-CD1 3.5Å; T58-L105 VanDerWaalsContact CG2-CD1 3.5Å; T58-L105 HydrophobicContact CG2-CD2 4.43Å |
| 59 | L | 92.6 | Very high | 89.6 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.4 | -176.2 | 63.7 | 0 | 0 | 0 | 111.6 | A55 G56 I61 L62 L63 | A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.94Å; G56-L59 PolarHBondContact O-N 3.25Å; L59-I61 PolarHBondContact O-N 2.87Å; L59-L62 PolarHBondContact O-N 2.91Å; L59-L63 HydrophobicContact CD1-CD1 4.27Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.95Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.48Å |
| 60 | T | 90.4 | Very high | 89 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | G56 P57 G64 T195 | G56-T60 WeakPolarHBondContact O-CB 3.47Å; G56-T60 VanDerWaalsContact O-CG2 3.28Å; G56-T60 WeakPolarHBondContact O-CG2 2.88Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 2.96Å; P57-T60 VanDerWaalsContact CA-OG1 3.28Å; P57-T60 WeakPolarHBondContact CA-OG1 3.47Å; P57-T60 PolarHBondContact O-OG1 3.33Å; T60-G64 PolarHBondContact O-N 3.04Å; T60-T195 HydrophobicContact CG2-CG2 3.88Å; T60-T195 WeakPolarHBondContact OG1-CG2 3.42Å |
| 61 | I | 89.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 174.1 | -65.2 | 162.9 | 0 | 0 | 0 | 110.2 | P57 T58 L59 L63 G64 E65 L101 F104 Y194 Y198 | P57-I61 WeakPolarHBondContact O-CB 3.35Å; P57-I61 VanDerWaalsContact O-CD1 3.32Å; P57-I61 WeakPolarHBondContact O-CD1 3.34Å; P57-I61 WeakPolarHBondContact O-CG1 3.29Å; P57-I61 PolarHBondContact O-N 3Å; T58-I61 PolarHBondContact O-N 3.45Å; L59-I61 PolarHBondContact O-N 2.87Å; I61-L63 PolarHBondContact O-N 3.48Å; I61-G64 PolarHBondContact O-N 2.74Å; I61-G64 VanDerWaalsContact O-N 3.16Å; I61-E65 PolarHBondContact O-N 3.07Å; I61-L101 HydrophobicContact CB-CD1 4.42Å; I61-L101 HydrophobicContact CG2-CD1 3.52Å; I61-F104 HydrophobicContact CD1-CB 4.15Å; I61-F104 HydrophobicContact CG2-CB 4.36Å; I61-Y194 HydrophobicContact CD1-CE1 4.43Å; I61-Y198 HydrophobicContact CB-CE1 4.31Å; I61-Y198 HydrophobicContact CG1-CD1 4.18Å; I61-Y198 HydrophobicContact CG1-CD2 4.34Å; I61-Y198 HydrophobicContact CG1-CE1 3.99Å; I61-Y198 HydrophobicContact CG1-CE2 4.14Å; I61-Y198 HydrophobicContact CG1-CG 4.35Å; I61-Y198 HydrophobicContact CG2-CE2 4.33Å; I61-Y198 PolarHBondContact O-OH 2.96Å |
| 62 | L | 88.9 | Confident | 86.8 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 178.7 | -178 | 63.9 | 0 | 0 | 0 | 112 | T58 L59 G64 E65 L66 | T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.36Å; L59-L62 PolarHBondContact O-N 2.91Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.49Å; L62-E65 PolarHBondContact O-N 2.92Å; L62-L66 HydrophobicContact CG-CD1 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.38Å |
| 63 | L | 88.3 | Confident | 85.2 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 175.9 | -72.7 | 173.3 | 0 | 0 | 0 | 111.9 | L59 I61 L66 A67 | L59-L63 HydrophobicContact CD1-CD1 4.27Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.95Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.48Å; I61-L63 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.12Å; L63-A67 WeakPolarHBondContact O-CB 3.46Å; L63-A67 PolarHBondContact O-N 3.35Å |
| 64 | G | 85.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T60 I61 L62 R68 | T60-G64 PolarHBondContact O-N 3.04Å; I61-G64 PolarHBondContact O-N 2.74Å; I61-G64 VanDerWaalsContact O-N 3.16Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.49Å; G64-R68 WeakPolarHBondContact O-CB 3.27Å; G64-R68 PolarHBondContact O-N 3.32Å; G64-R68 VanDerWaalsContact O-N 3.11Å |
| 65 | E | 85 | Confident | 81.1 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 9% | 0.093 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.6 | -41.5 | 176.3 | -66.9 | -56.9 | 133.8 | 0 | 0 | 112.1 | I61 L62 R68 A69 R100 | I61-E65 PolarHBondContact O-N 3.07Å; L62-E65 PolarHBondContact O-N 2.92Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-A69 PolarHBondContact O-N 2.89Å; E65-R100 VanDerWaalsContact CD-CD 3.5Å; E65-R100 WeakPolarHBondContact OE1-CD 3.12Å; E65-R100 WeakPolarHBondContact OE1-CG 3.32Å; E65-R100 WeakPolarHBondContact OE2-CD 3.42Å |
| 66 | L | 84.6 | Confident | 78.7 | Confident | 79 Ų | 79 | 72 Ų | 72 | 41% | 0.414 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 173.6 | -73 | 170.8 | 0 | 0 | 0 | 111 | L62 L63 R68 A69 F70 | L62-L66 HydrophobicContact CG-CD1 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.38Å; L63-L66 PolarHBondContact O-N 3.12Å; L66-R68 PolarHBondContact O-N 3.07Å; L66-A69 WeakPolarHBondContact O-CB 3.38Å; L66-A69 PolarHBondContact O-N 2.89Å; L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CE2 4.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 3.22Å |
| 67 | A | 82.9 | Confident | 76.4 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 24% | 0.24 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L63 F70 F71 F203 | L63-A67 WeakPolarHBondContact O-CB 3.46Å; L63-A67 PolarHBondContact O-N 3.35Å; A67-F70 PolarHBondContact O-N 2.95Å; A67-F71 WeakPolarHBondContact O-CB 3.2Å; A67-F71 WeakPolarHBondContact O-CD2 3.2Å; A67-F71 PolarHBondContact O-N 3.03Å; A67-F203 HydrophobicContact CB-CE1 4.25Å |
| 68 | R | 77.4 | Confident | 73.9 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.3 | -31.4 | 176.2 | -161.6 | 179.8 | -172.5 | 89 | 6.1 | 113.1 | G64 E65 L66 | G64-R68 WeakPolarHBondContact O-CB 3.27Å; G64-R68 PolarHBondContact O-N 3.32Å; G64-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 PolarHBondContact O-N 3.4Å; L66-R68 PolarHBondContact O-N 3.07Å |
| 69 | A | 77.1 | Confident | 71.6 | Confident | 74 Ų | 74 | 80 Ų | 80 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.7 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E65 L66 | E65-A69 PolarHBondContact O-N 2.89Å; L66-A69 WeakPolarHBondContact O-CB 3.38Å; L66-A69 PolarHBondContact O-N 2.89Å |
| 70 | F | 81.1 | Confident | 69.6 | Low | 154 Ų | 154 | 79.9 Ų | 79.9 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.9 | -29.7 | 178.9 | -71.8 | -69.3 | 0 | 0 | 0 | 113.9 | L66 A67 P72 | L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CE2 4.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 3.22Å; A67-F70 PolarHBondContact O-N 2.95Å; F70-P72 VanDerWaalsContact C-CD 3.49Å; F70-P72 WeakPolarHBondContact O-CD 3.39Å |
| 71 | F | 77.1 | Confident | 67.3 | Low | 166 Ų | 166 | 82.5 Ų | 82.5 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -120.3 | 77.5 | 178.6 | -58 | -76.6 | 0 | 0 | 0 | 111.1 | A67 A73 | A67-F71 WeakPolarHBondContact O-CB 3.2Å; A67-F71 WeakPolarHBondContact O-CD2 3.2Å; A67-F71 PolarHBondContact O-N 3.03Å; F71-A73 PolarHBondContact O-N 3.47Å |
| 72 | P | 67.3 | Low | 65.1 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 123.8 | 173.5 | -18 | 29.7 | 0 | 0 | 0 | 109.7 | F70 | F70-P72 VanDerWaalsContact C-CD 3.49Å; F70-P72 WeakPolarHBondContact O-CD 3.39Å |
| 73 | A | 60.2 | Low | 63 | Low | 66 Ų | 66 | 87 Ų | 87 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 140.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F71 | F71-A73 PolarHBondContact O-N 3.47Š|
| 74 | P | 52.9 | Low | 60.7 | Low | 72 Ų | 72 | 86.6 Ų | 86.6 | 47% | 0.468 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 150.6 | 175.5 | 22.4 | -31.6 | 0 | 0 | 0 | 110.8 | S76 | P74-S76 PolarHBondContact O-N 3.16Š|
| 75 | P | 50.5 | Low | 58.6 | Low | 142 Ų | 142 | 92.1 Ų | 92.1 | 92% | 0.922 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 8.4 | -166.2 | 23.1 | -33.4 | 0 | 0 | 0 | 116.6 | ||
| 76 | S | 45 | Very low | 56.6 | Low | 107 Ų | 107 | 97 Ų | 97 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 6.5 | -170.1 | 60.5 | 0 | 0 | 0 | 0 | 116.1 | P74 | P74-S76 PolarHBondContact O-N 3.16Š|
| 77 | S | 44.5 | Very low | 54.9 | Low | 58 Ų | 58 | 99.2 Ų | 99.2 | 41% | 0.406 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -132.2 | 96.1 | 172.7 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 78 | S | 40 | Very low | 53 | Low | 76 Ų | 76 | 102.2 Ų | 102.2 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | trans | 54.2 | 106.8 | 173.8 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | V80 | S78-V80 PolarHBondContact O-N 2.86Š| ||
| 79 | P | 43.6 | Very low | 51.5 | Low | 119 Ų | 119 | 100 Ų | 100 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | trans | -60.3 | 112.8 | 154 | 28.1 | -27.1 | 0 | 0 | 0 | 104.5 | S81 | P79-S81 PolarHBondContact O-N 2.76Š| ||
| 80 | V | 49.7 | Very low | 50.4 | Low | 96 Ų | 96 | 101.8 Ų | 101.8 | 58% | 0.582 | 66% | 0.655 | S | S | * | * | trans | -60.9 | 95.9 | 149 | 173.6 | 0 | 0 | 0 | 0 | 102 | S78 G82 | S78-V80 PolarHBondContact O-N 2.86Å; V80-G82 PolarHBondContact O-N 3.02Å | ||
| 81 | S | 42.9 | Very low | 49.2 | Very low | 93 Ų | 93 | 100.4 Ų | 100.4 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | trans | -28.3 | 127.6 | -173 | -168.2 | 0 | 0 | 0 | 0 | 109 | P79 E83 | P79-S81 PolarHBondContact O-N 2.76Å; S81-E83 PolarHBondContact O-N 2.79Å | ||
| 82 | G | 42.2 | Very low | 48.4 | Very low | 69 Ų | 69 | 96.8 Ų | 96.8 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | trans | -46.8 | 102.6 | 167 | 0 | 0 | 0 | 0 | 0 | 106.5 | V80 S84 | V80-G82 PolarHBondContact O-N 3.02Å; G82-S84 PolarHBondContact O-N 3.04Å | ||
| 83 | E | 44.5 | Very low | 48.2 | Very low | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | -64.1 | 102.4 | 179.3 | -170 | 179 | 155.1 | 0 | 0 | 102.5 | S81 T85 R99 | S81-E83 PolarHBondContact O-N 2.79Å; E83-T85 PolarHBondContact O-N 2.72Å; E83-R99 WeakPolarHBondContact OE1-CD 3.25Å; E83-R99 IonicContact OE1-CZ 2.76Å; E83-R99 IonicContact OE1-NE 3.78Å; E83-R99 IonicContact OE1-NH1 3.64Å; E83-R99 PolarHBondContact OE1-NH1 2.75Å; E83-R99 VanDerWaalsContact OE2-CD 3.29Å; E83-R99 WeakPolarHBondContact OE2-CD 3.29Å | ||
| 84 | S | 41.2 | Very low | 48.4 | Very low | 83 Ų | 83 | 106.3 Ų | 106.3 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | trans | -45.8 | 122.1 | 178.7 | 40.7 | 0 | 0 | 0 | 0 | 105.7 | G82 I86 | G82-S84 PolarHBondContact O-N 3.04Å; S84-I86 VanDerWaalsContact C-N 3.26Å; S84-I86 PolarHBondContact O-N 2.72Å | ||
| 85 | T | 40.3 | Very low | 49.4 | Very low | 117 Ų | 117 | 105.6 Ų | 105.6 | 72% | 0.718 | 67% | 0.666 | S | S | * | * | trans | -46 | 92.9 | 178.6 | 42.3 | 0 | 0 | 0 | 0 | 109 | E83 V87 | E83-T85 PolarHBondContact O-N 2.72Å; T85-V87 PolarHBondContact O-N 3Å | ||
| 86 | I | 43.3 | Very low | 50.6 | Low | 123 Ų | 123 | 104 Ų | 104 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | trans | -70.5 | 100.7 | 163.9 | -51.7 | 179.7 | 0 | 0 | 0 | 103.3 | S84 S88 | S84-I86 VanDerWaalsContact C-N 3.26Å; S84-I86 PolarHBondContact O-N 2.72Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.41Å | ||
| 87 | V | 49.5 | Very low | 52.1 | Low | 124 Ų | 124 | 102 Ų | 102 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | trans | -54.1 | 92 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | T85 | T85-V87 PolarHBondContact O-N 3Š| ||
| 88 | S | 43.3 | Very low | 53.8 | Low | 92 Ų | 92 | 102.8 Ų | 102.8 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | trans | -95.7 | 90.6 | 165.9 | -161.7 | 0 | 0 | 0 | 0 | 106.6 | I86 | I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.41Å | ||
| 89 | G | 45.6 | Very low | 55.7 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 67.9 | 127.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C91 | G89-C91 PolarHBondContact O-N 3.48Š|
| 90 | A | 53.2 | Low | 57.4 | Low | 110 Ų | 110 | 100.7 Ų | 100.7 | 91% | 0.909 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 89.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 91 | C | 57.3 | Low | 59.1 | Low | 125 Ų | 125 | 98.3 Ų | 98.3 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178 | -20.4 | 144 | -148 | 0 | 0 | 0 | 0 | 114 | G89 | G89-C91 PolarHBondContact O-N 3.48Š|
| 92 | C | 60.2 | Low | 61.2 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 62% | 0.615 | 59% | 0.585 | S | S | * | * | trans | -121.7 | 102.3 | -171.7 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | F94 | C92-F94 PolarHBondContact O-N 3.07Š| ||
| 93 | R | 61.9 | Low | 63.3 | Low | 248 Ų | 248 | 99.2 Ų | 99.2 | 94% | 0.936 | 57% | 0.566 | S | S | * | * | trans | -71.8 | 105.8 | 164.5 | -77 | -169.3 | -178.2 | 109.6 | -2.1 | 108.3 | S95 | R93-S95 PolarHBondContact O-N 2.99Š| ||
| 94 | F | 64.6 | Low | 65.4 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | trans | -62.6 | 129.5 | 168 | -71 | -79.4 | 0 | 0 | 0 | 109.5 | C92 L98 | C92-F94 PolarHBondContact O-N 3.07Å; F94-L98 HydrophobicContact CD1-CD2 3.93Å | ||
| 95 | S | 74.9 | Confident | 67.8 | Low | 58 Ų | 58 | 94 Ų | 94 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | trans | -62.1 | 136.6 | 174.4 | 63.8 | 0 | 0 | 0 | 0 | 109.3 | R93 P97 L98 R99 | R93-S95 PolarHBondContact O-N 2.99Å; S95-P97 VanDerWaalsContact C-N 3.31Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact OG-CB 3.32Å; S95-L98 WeakPolarHBondContact OG-CB 3.45Å; S95-R99 PolarHBondContact O-N 2.95Å | ||
| 96 | P | 74.8 | Confident | 70.2 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -47 | -40.5 | 176 | -28.9 | 35.2 | 0 | 0 | 0 | 115.8 | R100 | P96-R100 PolarHBondContact O-N 3.33Å |
| 97 | P | 76 | Confident | 72.5 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 176.7 | 25.6 | -35.8 | 0 | 0 | 0 | 113.2 | S95 R99 R100 L101 | S95-P97 VanDerWaalsContact C-N 3.31Å; P97-R99 PolarHBondContact O-N 2.8Å; P97-R100 PolarHBondContact O-N 3.43Å; P97-L101 WeakPolarHBondContact O-CB 3.31Å; P97-L101 PolarHBondContact O-N 3.46Å |
| 98 | L | 80 | Confident | 74.7 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 39% | 0.393 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 179.9 | -178.6 | 63.4 | 0 | 0 | 0 | 111.6 | F94 S95 R100 L101 V102 | F94-L98 HydrophobicContact CD1-CD2 3.93Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact OG-CB 3.32Å; S95-L98 WeakPolarHBondContact OG-CB 3.45Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.48Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-V102 HydrophobicContact CD1-CG2 4.43Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.43Å |
| 99 | R | 80.1 | Confident | 77.2 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 174.9 | -177.4 | -174 | -62.4 | -123.8 | -5 | 111.6 | E83 S95 P97 R103 | E83-R99 WeakPolarHBondContact OE1-CD 3.25Å; E83-R99 IonicContact OE1-CZ 2.76Å; E83-R99 IonicContact OE1-NE 3.78Å; E83-R99 IonicContact OE1-NH1 3.64Å; E83-R99 PolarHBondContact OE1-NH1 2.75Å; E83-R99 VanDerWaalsContact OE2-CD 3.29Å; E83-R99 WeakPolarHBondContact OE2-CD 3.29Å; S95-R99 PolarHBondContact O-N 2.95Å; P97-R99 PolarHBondContact O-N 2.8Å; R99-R103 WeakPolarHBondContact O-CB 3.17Å; R99-R103 PolarHBondContact O-N 2.84Å |
| 100 | R | 80.3 | Confident | 79.5 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 25% | 0.245 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 179.9 | -176.9 | 173.7 | -75.7 | -170.9 | 4.2 | 111.8 | E65 P96 P97 L98 R103 F104 | E65-R100 VanDerWaalsContact CD-CD 3.5Å; E65-R100 WeakPolarHBondContact OE1-CD 3.12Å; E65-R100 WeakPolarHBondContact OE1-CG 3.32Å; E65-R100 WeakPolarHBondContact OE2-CD 3.42Å; P96-R100 PolarHBondContact O-N 3.33Å; P97-R100 PolarHBondContact O-N 3.43Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.48Å; R100-R103 PolarHBondContact O-N 3.19Å; R100-F104 HydrophobicContact CG-CD2 3.53Å; R100-F104 HydrophobicContact CG-CE2 3.32Å; R100-F104 VanDerWaalsContact O-CD2 3.26Å; R100-F104 WeakPolarHBondContact O-CD2 3.27Å; R100-F104 PolarHBondContact O-N 3.27Å |
| 101 | L | 85.1 | Confident | 81.6 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 174.8 | -177.4 | 66.2 | 0 | 0 | 0 | 111.1 | I61 P97 L98 R103 F104 L105 | I61-L101 HydrophobicContact CB-CD1 4.42Å; I61-L101 HydrophobicContact CG2-CD1 3.52Å; P97-L101 WeakPolarHBondContact O-CB 3.31Å; P97-L101 PolarHBondContact O-N 3.46Å; L98-L101 PolarHBondContact O-N 2.89Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.42Å; L101-F104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.12Å; L101-L105 PolarHBondContact O-N 3.46Å |
| 102 | V | 86.6 | Confident | 83.4 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 58% | 0.582 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.8 | -40.4 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L98 G106 | L98-V102 HydrophobicContact CD1-CG2 4.43Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.43Å; V102-G106 WeakPolarHBondContact O-CA 3.43Å; V102-G106 PolarHBondContact O-N 3.25Å |
| 103 | R | 86.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -50 | 178.1 | 179.2 | 172.3 | 162.9 | -173.6 | -14.4 | 112.3 | R99 R100 L101 V107 V260 F263 | R99-R103 WeakPolarHBondContact O-CB 3.17Å; R99-R103 PolarHBondContact O-N 2.84Å; R100-R103 PolarHBondContact O-N 3.19Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.42Å; R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.33Å; R103-V107 PolarHBondContact O-N 2.86Å; R103-V107 VanDerWaalsContact O-N 3.12Å; R103-V260 PolarHBondContact NH2-O 2.96Å; R103-F263 VanDerWaalsContact CZ-CB 3.44Å |
| 104 | F | 88.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | -179.2 | -74.7 | -61.7 | 0 | 0 | 0 | 112.4 | I61 R100 L101 Y108 Y194 Y198 V260 | I61-F104 HydrophobicContact CD1-CB 4.15Å; I61-F104 HydrophobicContact CG2-CB 4.36Å; R100-F104 HydrophobicContact CG-CD2 3.53Å; R100-F104 HydrophobicContact CG-CE2 3.32Å; R100-F104 VanDerWaalsContact O-CD2 3.26Å; R100-F104 WeakPolarHBondContact O-CD2 3.27Å; R100-F104 PolarHBondContact O-N 3.27Å; L101-F104 PolarHBondContact O-N 3.38Å; F104-Y108 VanDerWaalsContact O-CB 3.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.26Å; F104-Y108 PolarHBondContact O-N 3.25Å; F104-Y194 PolarHBondContact O-OH 2.94Å; F104-Y198 HydrophobicContact CD1-CD2 4.11Å; F104-Y198 HydrophobicContact CD1-CE2 4.35Å; F104-Y198 HydrophobicContact CD2-CD2 4.38Å; F104-Y198 AromaticContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CE1-CD2 4.16Å; F104-Y198 HydrophobicContact CE1-CE2 4.41Å; F104-Y198 HydrophobicContact CE2-CD2 4.42Å; F104-Y198 AromaticContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CG-CD2 4.24Å; F104-Y198 HydrophobicContact CG-CE2 4.07Å; F104-Y198 HydrophobicContact CZ-CD2 4.33Å; F104-Y198 HydrophobicContact CZ-CE2 4.2Å; F104-V260 HydrophobicContact CE1-CG1 3.89Å |
| 105 | L | 91 | Very high | 88.2 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 29% | 0.288 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71 | -38.6 | 178.7 | -169.7 | 58.8 | 0 | 0 | 0 | 111.3 | T58 L101 Y108 S109 | T58-L105 HydrophobicContact CG2-CD1 3.5Å; T58-L105 VanDerWaalsContact CG2-CD1 3.5Å; T58-L105 HydrophobicContact CG2-CD2 4.43Å; L101-L105 WeakPolarHBondContact O-CB 3.12Å; L101-L105 PolarHBondContact O-N 3.46Å; L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.44Å; L105-Y108 PolarHBondContact O-N 2.82Å; L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.03Å; L105-S109 PolarHBondContact O-OG 3.18Å; L105-S109 VanDerWaalsContact O-OG 3.07Å |
| 106 | G | 91.6 | Very high | 89.2 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V102 Y108 S109 F110 | V102-G106 WeakPolarHBondContact O-CA 3.43Å; V102-G106 PolarHBondContact O-N 3.25Å; G106-Y108 VanDerWaalsContact C-N 3.33Å; G106-S109 PolarHBondContact O-N 3.47Å; G106-F110 WeakPolarHBondContact O-CB 3.42Å; G106-F110 PolarHBondContact O-N 3Å |
| 107 | V | 92.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 175 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | R103 F110 G111 Y194 L255 V259 V260 | R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.33Å; R103-V107 PolarHBondContact O-N 2.86Å; R103-V107 VanDerWaalsContact O-N 3.12Å; V107-F110 PolarHBondContact O-N 3.27Å; V107-G111 PolarHBondContact O-N 2.76Å; V107-Y194 HydrophobicContact CG1-CE2 4.15Å; V107-L255 HydrophobicContact CG1-CB 4.31Å; V107-V259 HydrophobicContact CG2-CG1 4.04Å; V107-V260 HydrophobicContact CG1-CG2 4.08Å |
| 108 | Y | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 176.2 | -178.9 | -107.3 | 0 | 0 | 0 | 112.2 | V53 P57 F104 L105 G106 F110 G111 L112 Y190 A191 Y194 | V53-Y108 WeakPolarHBondContact CG1-OH 3.49Å; V53-Y108 PolarHBondContact O-OH 3.25Å; P57-Y108 HydrophobicContact CB-CD1 4.22Å; P57-Y108 HydrophobicContact CB-CD2 4.31Å; P57-Y108 HydrophobicContact CB-CE1 3.86Å; P57-Y108 HydrophobicContact CB-CE2 3.97Å; P57-Y108 HydrophobicContact CB-CG 4.44Å; P57-Y108 HydrophobicContact CG-CE1 4.01Å; P57-Y108 HydrophobicContact CG-CE2 3.9Å; P57-Y108 WeakPolarHBondContact CG-OH 3.32Å; F104-Y108 VanDerWaalsContact O-CB 3.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.26Å; F104-Y108 PolarHBondContact O-N 3.25Å; L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.44Å; L105-Y108 PolarHBondContact O-N 2.82Å; G106-Y108 VanDerWaalsContact C-N 3.33Å; Y108-F110 VanDerWaalsContact C-N 3.33Å; Y108-F110 PolarHBondContact O-N 3.11Å; Y108-G111 PolarHBondContact O-N 3.16Å; Y108-L112 HydrophobicContact CE1-CD2 4.48Å; Y108-L112 WeakPolarHBondContact O-CB 3.21Å; Y108-L112 PolarHBondContact O-N 3.02Å; Y108-Y190 WeakPolarHBondContact CA-OH 3.46Å; Y108-Y190 AromaticContact CD2-CE1 3.63Å; Y108-Y190 HydrophobicContact CD2-CE1 3.63Å; Y108-Y190 AromaticContact CE2-CD1 3.88Å; Y108-Y190 HydrophobicContact CE2-CD1 3.88Å; Y108-Y190 AromaticContact CE2-CE1 3.32Å; Y108-Y190 HydrophobicContact CE2-CE1 3.32Å; Y108-Y190 PolarHBondContact O-OH 3.03Å; Y108-A191 WeakPolarHBondContact OH-CB 3.47Å; Y108-Y194 AromaticContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD1 3.5Å; Y108-Y194 VanDerWaalsContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD2 4.35Å; Y108-Y194 AromaticContact CD2-CE1 3.88Å; Y108-Y194 HydrophobicContact CD2-CE1 3.88Å; Y108-Y194 AromaticContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CE2-CD1 4.25Å; Y108-Y194 HydrophobicContact CE2-CG 4.37Å; Y108-Y194 HydrophobicContact CG-CD1 4.28Å; Y108-Y194 HydrophobicContact CG-CE1 4.23Å |
| 109 | S | 95.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 44% | 0.441 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 112 | L105 G106 L112 F113 | L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.03Å; L105-S109 PolarHBondContact O-OG 3.18Å; L105-S109 VanDerWaalsContact O-OG 3.07Å; G106-S109 PolarHBondContact O-N 3.47Å; S109-L112 PolarHBondContact O-N 2.85Å; S109-F113 WeakPolarHBondContact O-CB 3.48Å; S109-F113 PolarHBondContact O-N 2.75Å |
| 110 | F | 95.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.7 | 174 | -103.7 | 0 | 0 | 0 | 112 | G106 V107 Y108 F113 T114 L255 | G106-F110 WeakPolarHBondContact O-CB 3.42Å; G106-F110 PolarHBondContact O-N 3Å; V107-F110 PolarHBondContact O-N 3.27Å; Y108-F110 VanDerWaalsContact C-N 3.33Å; Y108-F110 PolarHBondContact O-N 3.11Å; F110-F113 PolarHBondContact O-N 3.01Å; F110-T114 WeakPolarHBondContact O-CB 3.41Å; F110-T114 PolarHBondContact O-N 2.96Å; F110-T114 PolarHBondContact O-OG1 2.71Å; F110-L255 HydrophobicContact CD1-CD1 4.36Å; F110-L255 HydrophobicContact CD1-CD2 3.94Å; F110-L255 HydrophobicContact CE1-CD2 3.82Å |
| 111 | G | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.3 | -32 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V107 Y108 T114 T115 Y190 | V107-G111 PolarHBondContact O-N 2.76Å; Y108-G111 PolarHBondContact O-N 3.16Å; G111-T114 PolarHBondContact O-N 3.46Å; G111-T115 WeakPolarHBondContact O-CB 3.34Å; G111-T115 PolarHBondContact O-N 3.39Å; G111-T115 PolarHBondContact O-OG1 3.46Å; G111-Y190 VanDerWaalsContact C-CZ 3.41Å; G111-Y190 VanDerWaalsContact CA-OH 3.25Å; G111-Y190 WeakPolarHBondContact CA-OH 3.4Å |
| 112 | L | 95.9 | Very high | 93.2 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 173.4 | -169.6 | 71.8 | 0 | 0 | 0 | 110.5 | V53 T54 Y108 S109 T114 T115 T116 L187 Y190 | V53-L112 HydrophobicContact CG1-CD1 3.35Å; V53-L112 HydrophobicContact CG1-CD2 4.29Å; V53-L112 HydrophobicContact CG1-CG 4.47Å; T54-L112 HydrophobicContact CG2-CD2 4.36Å; Y108-L112 HydrophobicContact CE1-CD2 4.48Å; Y108-L112 WeakPolarHBondContact O-CB 3.21Å; Y108-L112 PolarHBondContact O-N 3.02Å; S109-L112 PolarHBondContact O-N 2.85Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.92Å; L112-T115 PolarHBondContact O-N 2.9Å; L112-T116 PolarHBondContact O-N 2.96Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.14Å; L112-L187 HydrophobicContact CD1-CD2 3.84Å; L112-Y190 HydrophobicContact CB-CD1 4.39Å; L112-Y190 HydrophobicContact CB-CE1 3.96Å; L112-Y190 HydrophobicContact CD1-CD1 3.9Å; L112-Y190 HydrophobicContact CD1-CE1 4.25Å; L112-Y190 VanDerWaalsContact N-CE1 3.33Å |
| 113 | F | 96.4 | Very high | 93.4 | Very high | 134 Ų | 134 | 48.2 Ų | 48.2 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 175.8 | -176.7 | -109.6 | 0 | 0 | 0 | 111.8 | S109 F110 T115 T116 I117 | S109-F113 WeakPolarHBondContact O-CB 3.48Å; S109-F113 PolarHBondContact O-N 2.75Å; F110-F113 PolarHBondContact O-N 3.01Å; F113-T115 PolarHBondContact O-N 3.49Å; F113-T116 PolarHBondContact O-N 2.84Å; F113-I117 HydrophobicContact CD1-CD1 3.65Å; F113-I117 HydrophobicContact CE1-CD1 3.21Å; F113-I117 HydrophobicContact CE1-CG1 4.3Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CG-CD1 4.36Å; F113-I117 HydrophobicContact CZ-CD1 3.57Å; F113-I117 HydrophobicContact CZ-CG1 4.31Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.26Å |
| 114 | T | 95.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 46 Ų | 46 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.1 | F110 G111 L112 T116 I117 F118 I251 | F110-T114 WeakPolarHBondContact O-CB 3.41Å; F110-T114 PolarHBondContact O-N 2.96Å; F110-T114 PolarHBondContact O-OG1 2.71Å; G111-T114 PolarHBondContact O-N 3.46Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.92Å; T114-T116 VanDerWaalsContact C-N 3.34Å; T114-T116 PolarHBondContact O-N 3.25Å; T114-I117 PolarHBondContact O-N 3.5Å; T114-F118 HydrophobicContact CG2-CD2 3.62Å; T114-F118 HydrophobicContact CG2-CE2 3.55Å; T114-F118 VanDerWaalsContact O-CD2 3.27Å; T114-F118 WeakPolarHBondContact O-CD2 3.31Å; T114-F118 PolarHBondContact O-N 2.95Å; T114-I251 HydrophobicContact CG2-CG2 4.4Å |
| 115 | T | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | G111 L112 F113 F118 A119 A186 L187 I251 | G111-T115 WeakPolarHBondContact O-CB 3.34Å; G111-T115 PolarHBondContact O-N 3.39Å; G111-T115 PolarHBondContact O-OG1 3.46Å; L112-T115 PolarHBondContact O-N 2.9Å; F113-T115 PolarHBondContact O-N 3.49Å; T115-F118 PolarHBondContact O-N 2.97Å; T115-A119 WeakPolarHBondContact O-CB 3.2Å; T115-A119 PolarHBondContact O-N 3.43Å; T115-A186 HydrophobicContact CG2-CB 3.96Å; T115-L187 HydrophobicContact CG2-CD2 3.99Å; T115-I251 HydrophobicContact CG2-CD1 4.37Å |
| 116 | T | 95.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 174.5 | -60 | 0 | 0 | 0 | 0 | 111.9 | L112 F113 T114 A119 N120 | L112-T116 PolarHBondContact O-N 2.96Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.14Å; F113-T116 PolarHBondContact O-N 2.84Å; T114-T116 VanDerWaalsContact C-N 3.34Å; T114-T116 PolarHBondContact O-N 3.25Å; T116-A119 PolarHBondContact O-N 3.48Å; T116-N120 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N120 VanDerWaalsContact O-CB 3.32Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 2.9Å; T116-N120 PolarHBondContact O-ND2 3.25Å |
| 117 | I | 95.4 | Very high | 92.9 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 177.6 | -70.8 | 169.2 | 0 | 0 | 0 | 110.7 | F113 T114 A119 N120 A121 | F113-I117 HydrophobicContact CD1-CD1 3.65Å; F113-I117 HydrophobicContact CE1-CD1 3.21Å; F113-I117 HydrophobicContact CE1-CG1 4.3Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CG-CD1 4.36Å; F113-I117 HydrophobicContact CZ-CD1 3.57Å; F113-I117 HydrophobicContact CZ-CG1 4.31Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.26Å; T114-I117 PolarHBondContact O-N 3.5Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.23Å; I117-N120 PolarHBondContact O-N 2.96Å; I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 2.96Å |
| 118 | F | 94.6 | Very high | 92.7 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | -179.6 | -86.9 | -73.6 | 0 | 0 | 0 | 112.2 | T114 T115 G122 I251 | T114-F118 HydrophobicContact CG2-CD2 3.62Å; T114-F118 HydrophobicContact CG2-CE2 3.55Å; T114-F118 VanDerWaalsContact O-CD2 3.27Å; T114-F118 WeakPolarHBondContact O-CD2 3.31Å; T114-F118 PolarHBondContact O-N 2.95Å; T115-F118 PolarHBondContact O-N 2.97Å; F118-G122 PolarHBondContact O-N 3.01Å; F118-I251 HydrophobicContact CB-CD1 4.44Å; F118-I251 HydrophobicContact CD2-CD1 4.02Å; F118-I251 HydrophobicContact CG-CD1 4.45Å |
| 119 | A | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T115 T116 I117 A121 G122 Q123 K183 | T115-A119 WeakPolarHBondContact O-CB 3.2Å; T115-A119 PolarHBondContact O-N 3.43Å; T116-A119 PolarHBondContact O-N 3.48Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.23Å; A119-A121 PolarHBondContact O-N 2.91Å; A119-G122 PolarHBondContact O-N 3.43Å; A119-Q123 WeakPolarHBondContact O-CG 3.45Å; A119-Q123 PolarHBondContact O-N 3.35Å; A119-K183 HydrophobicContact CB-CB 4Å; A119-K183 HydrophobicContact CB-CG 3.93Å |
| 120 | N | 93.5 | Very high | 92.4 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.7 | -71.6 | -22.4 | 0 | 0 | 0 | 111.7 | T116 I117 Q123 V124 | T116-N120 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N120 VanDerWaalsContact O-CB 3.32Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 2.9Å; T116-N120 PolarHBondContact O-ND2 3.25Å; I117-N120 PolarHBondContact O-N 2.96Å; N120-Q123 PolarHBondContact O-N 2.81Å; N120-V124 WeakPolarHBondContact O-CG2 3.06Å; N120-V124 PolarHBondContact O-N 2.87Å; N120-V124 VanDerWaalsContact O-N 3.13Å |
| 121 | A | 91.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I117 A119 Q123 V124 V125 | I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 2.96Å; A119-A121 PolarHBondContact O-N 2.91Å; A121-Q123 VanDerWaalsContact C-N 3.31Å; A121-Q123 PolarHBondContact O-N 2.85Å; A121-V124 PolarHBondContact O-N 2.95Å; A121-V125 WeakPolarHBondContact O-CB 3.12Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.95Å |
| 122 | G | 90.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F118 A119 V124 V125 T126 F180 | F118-G122 PolarHBondContact O-N 3.01Å; A119-G122 PolarHBondContact O-N 3.43Å; G122-V124 VanDerWaalsContact C-N 3.33Å; G122-V124 PolarHBondContact O-N 2.72Å; G122-V125 PolarHBondContact O-N 3.37Å; G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 3.43Å; G122-F180 CarbonylContact C-O 3.31Å; G122-F180 VanDerWaalsContact C-O 3.31Å |
| 123 | Q | 91.2 | Very high | 92 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 177 | -74.1 | 179.5 | -8.7 | 0 | 0 | 113.6 | A119 N120 A121 G127 R178 F180 P181 | A119-Q123 WeakPolarHBondContact O-CG 3.45Å; A119-Q123 PolarHBondContact O-N 3.35Å; N120-Q123 PolarHBondContact O-N 2.81Å; A121-Q123 VanDerWaalsContact C-N 3.31Å; A121-Q123 PolarHBondContact O-N 2.85Å; Q123-G127 PolarHBondContact O-N 2.97Å; Q123-R178 HydrophobicContact CB-CB 4.02Å; Q123-R178 HydrophobicContact CB-CG 4.2Å; Q123-R178 HydrophobicContact CG-CB 4.19Å; Q123-R178 PolarHBondContact NE2-O 3.43Å; Q123-F180 WeakPolarHBondContact CA-O 3.4Å; Q123-F180 WeakPolarHBondContact CG-O 3.35Å; Q123-F180 PolarHBondContact N-O 3.44Å; Q123-P181 PolarHBondContact NE2-O 2.94Å |
| 124 | V | 89.3 | Confident | 91.8 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.4 | -35.7 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | V19 N120 A121 G122 | V19-V124 HydrophobicContact CG2-CG1 4.06Å; N120-V124 WeakPolarHBondContact O-CG2 3.06Å; N120-V124 PolarHBondContact O-N 2.87Å; N120-V124 VanDerWaalsContact O-N 3.13Å; A121-V124 PolarHBondContact O-N 2.95Å; G122-V124 VanDerWaalsContact C-N 3.33Å; G122-V124 PolarHBondContact O-N 2.72Å |
| 125 | V | 88.5 | Confident | 91.5 | Very high | 87 Ų | 87 | 32.1 Ų | 32.1 | 53% | 0.527 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -77.8 | -37.4 | -177.3 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | F20 A121 G122 | F20-V125 WeakPolarHBondContact CB-O 3.3Å; A121-V125 WeakPolarHBondContact O-CB 3.12Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.95Å; G122-V125 PolarHBondContact O-N 3.37Å |
| 126 | T | 85.9 | Confident | 91.4 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -90.2 | -37.7 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | F20 G122 N128 F180 | F20-T126 VanDerWaalsContact CD1-O 3.28Å; F20-T126 WeakPolarHBondContact CD1-O 3.38Å; G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 3.43Å; T126-N128 HydrophobicContact CG2-CB 4.07Å; T126-N128 PolarHBondContact O-N 3.34Å; T126-F180 HydrophobicContact CG2-CB 4.17Å; T126-F180 HydrophobicContact CG2-CD1 3.79Å; T126-F180 HydrophobicContact CG2-CG 4.23Å; T126-F180 WeakPolarHBondContact OG1-CD1 3.39Å |
| 127 | G | 83.5 | Confident | 91.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | 58.9 | 22.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | F20 Q123 R177 | F20-G127 WeakPolarHBondContact O-CA 3.39Å; Q123-G127 PolarHBondContact O-N 2.97Å; G127-R177 CarbonylContact C-O 3.5Å; G127-R177 WeakPolarHBondContact CA-O 3.49Å | ||
| 128 | N | 88.6 | Confident | 90.9 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 129.1 | -176.1 | -174.1 | 13.2 | 0 | 0 | 0 | 110.7 | E22 T126 R177 A179 F180 | E22-N128 PolarHBondContact OE2-OD1 2.93Å; T126-N128 HydrophobicContact CG2-CB 4.07Å; T126-N128 PolarHBondContact O-N 3.34Å; N128-R177 PolarHBondContact N-O 3Å; N128-R177 CarbonylContact O-C 3.52Å; N128-A179 HydrophobicContact CB-CB 4.48Å; N128-A179 WeakPolarHBondContact O-CB 3.22Å; N128-A179 PolarHBondContact O-N 3.41Å; N128-A179 VanDerWaalsContact O-N 3.08Å; N128-F180 HydrophobicContact CB-CB 3.9Å |
| 129 | P | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 148.5 | 174.9 | 24.3 | -35.7 | 0 | 0 | 0 | 113.8 | Y31 F133 A176 A179 H237 | Y31-P129 HydrophobicContact CD1-CB 4.19Å; Y31-P129 HydrophobicContact CD1-CG 4.19Å; Y31-P129 HydrophobicContact CE1-CB 4.14Å; Y31-P129 HydrophobicContact CE1-CG 3.7Å; P129-F133 HydrophobicContact CB-CB 3.79Å; P129-F133 HydrophobicContact CB-CD1 4.05Å; P129-F133 HydrophobicContact CB-CD2 4.09Å; P129-F133 HydrophobicContact CB-CG 3.69Å; P129-A176 CarbonylContact C-O 3.03Å; P129-A176 WeakPolarHBondContact CA-O 3.42Å; P129-A179 WeakPolarHBondContact O-CB 3.39Å; P129-H237 PolarHBondContact O-CE1 3.11Å; P129-H237 VanDerWaalsContact O-CE1 3.27Å |
| 130 | T | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 159 | 171.9 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | Y31 H132 F133 A176 A179 R235 | Y31-T130 WeakPolarHBondContact CD1-O 3.47Å; T130-H132 VanDerWaalsContact CB-CE1 3.46Å; T130-H132 WeakPolarHBondContact CB-CE1 3.37Å; T130-H132 PolarHBondContact O-N 3.02Å; T130-H132 PolarHBondContact OG1-CE1 3.05Å; T130-H132 PolarHBondContact OG1-ND1 3.13Å; T130-H132 PolarHBondContact OG1-NE2 3Å; T130-F133 WeakPolarHBondContact O-CB 3.33Å; T130-F133 PolarHBondContact O-N 3.06Å; T130-A176 WeakPolarHBondContact CG2-O 3.39Å; T130-A176 PolarHBondContact N-O 2.88Å; T130-A176 PolarHBondContact OG1-O 3.31Å; T130-A179 HydrophobicContact CG2-CB 3.71Å; T130-R235 VanDerWaalsContact CG2-O 3.25Å; T130-R235 WeakPolarHBondContact CG2-O 3.39Å |
| 131 | P | 93.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.2 | 176.1 | -24.8 | 31.6 | 0 | 0 | 0 | 115.3 | Y31 K33 Y234 | Y31-P131 CarbonylContact C-O 3.2Å; Y31-P131 WeakPolarHBondContact CA-O 3.28Å; K33-P131 HydrophobicContact CB-CB 4.41Å; K33-P131 WeakPolarHBondContact CB-O 3.43Å; K33-P131 HydrophobicContact CG-CB 3.94Å; K33-P131 VanDerWaalsContact CG-O 3.32Å; K33-P131 WeakPolarHBondContact CG-O 3.38Å; K33-P131 PolarHBondContact N-O 3.45Å; P131-Y234 WeakPolarHBondContact CD-O 3.47Å |
| 132 | H | 92.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 9.3 | 176.8 | 62.8 | -90 | 0 | 0 | 0 | 113.3 | Y31 K33 Y35 T130 L134 S135 Y234 | Y31-H132 CarbonylContact O-C 2.93Å; K33-H132 WeakPolarHBondContact O-CA 3.49Å; Y35-H132 AromaticContact CD2-CD2 3.97Å; T130-H132 VanDerWaalsContact CB-CE1 3.46Å; T130-H132 WeakPolarHBondContact CB-CE1 3.37Å; T130-H132 PolarHBondContact O-N 3.02Å; T130-H132 PolarHBondContact OG1-CE1 3.05Å; T130-H132 PolarHBondContact OG1-ND1 3.13Å; T130-H132 PolarHBondContact OG1-NE2 3Å; H132-L134 PolarHBondContact O-N 2.86Å; H132-S135 PolarHBondContact O-N 2.94Å; H132-S135 PolarHBondContact O-OG 2.72Å; H132-Y234 PolarHBondContact ND1-O 3.2Å |
| 133 | F | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | -172.1 | 170.5 | -99.9 | 0 | 0 | 0 | 113.6 | F24 Y31 P129 T130 S135 V136 C137 V173 A176 R177 | F24-F133 HydrophobicContact CB-CE1 4.4Å; F24-F133 AromaticContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CZ 4.22Å; F24-F133 HydrophobicContact CE1-CE1 4.05Å; F24-F133 HydrophobicContact CE1-CZ 4.39Å; F24-F133 AromaticContact CG-CE1 3.99Å; F24-F133 HydrophobicContact CG-CE1 3.99Å; Y31-F133 PolarHBondContact O-N 2.89Å; P129-F133 HydrophobicContact CB-CB 3.79Å; P129-F133 HydrophobicContact CB-CD1 4.05Å; P129-F133 HydrophobicContact CB-CD2 4.09Å; P129-F133 HydrophobicContact CB-CG 3.69Å; T130-F133 WeakPolarHBondContact O-CB 3.33Å; T130-F133 PolarHBondContact O-N 3.06Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å; F133-V136 PolarHBondContact O-N 3.26Å; F133-V136 VanDerWaalsContact O-N 3.15Å; F133-C137 HydrophobicContact CD1-CB 4.42Å; F133-C137 HydrophobicContact CE1-CB 3.94Å; F133-C137 HydrophobicContact CE2-CB 4.12Å; F133-C137 HydrophobicContact CZ-CB 3.76Å; F133-C137 VanDerWaalsContact O-CB 3.31Å; F133-C137 WeakPolarHBondContact O-CB 3.38Å; F133-C137 PolarHBondContact O-N 3.38Å; F133-V173 HydrophobicContact CE2-CG1 4.08Å; F133-A176 HydrophobicContact CD2-CB 3.94Å; F133-R177 HydrophobicContact CD2-CG 4.13Å; F133-R177 HydrophobicContact CE2-CG 3.71Å; F133-R177 VanDerWaalsContact CZ-CZ 3.48Å |
| 134 | L | 91.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -31 | -176.8 | -66.6 | 175.9 | 0 | 0 | 0 | 112.5 | F24 D28 Y31 A32 H132 V136 R138 P139 | F24-L134 HydrophobicContact CD2-CD2 3.68Å; F24-L134 HydrophobicContact CE2-CD2 3.93Å; F24-L134 HydrophobicContact CG-CD2 4.32Å; D28-L134 HydrophobicContact CB-CD1 4.39Å; D28-L134 VanDerWaalsContact O-CD1 3.27Å; D28-L134 WeakPolarHBondContact O-CD1 3.41Å; Y31-L134 WeakPolarHBondContact O-CB 3.37Å; Y31-L134 PolarHBondContact O-N 3.32Å; A32-L134 HydrophobicContact CB-CD1 4.32Å; H132-L134 PolarHBondContact O-N 2.86Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.18Å; L134-R138 PolarHBondContact O-N 3.22Å; L134-P139 HydrophobicContact CD2-CG 4.2Å |
| 135 | S | 90.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 40 Ų | 40 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -30.6 | 177.3 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | K33 Y35 H132 F133 | K33-S135 WeakPolarHBondContact O-CB 3.42Å; K33-S135 PolarHBondContact O-OG 3.13Å; Y35-S135 PolarHBondContact N-OG 3.39Å; H132-S135 PolarHBondContact O-N 2.94Å; H132-S135 PolarHBondContact O-OG 2.72Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å |
| 136 | V | 92.6 | Very high | 87.8 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89.3 | -44.3 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | Y35 F133 L134 R138 G168 L172 V173 | Y35-V136 HydrophobicContact CD2-CG2 3.45Å; Y35-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y35-V136 HydrophobicContact CE2-CG2 3.91Å; Y35-V136 HydrophobicContact CG-CG2 4.17Å; F133-V136 PolarHBondContact O-N 3.26Å; F133-V136 VanDerWaalsContact O-N 3.15Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.18Å; V136-R138 VanDerWaalsContact C-N 3.34Å; V136-R138 PolarHBondContact O-N 3.37Å; V136-G168 WeakPolarHBondContact O-CA 3.37Å; V136-L172 HydrophobicContact CG1-CB 3.51Å; V136-V173 HydrophobicContact CG1-CG2 4.09Å |
| 137 | C | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | -179 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | F133 C166 A167 G168 | F133-C137 HydrophobicContact CD1-CB 4.42Å; F133-C137 HydrophobicContact CE1-CB 3.94Å; F133-C137 HydrophobicContact CE2-CB 4.12Å; F133-C137 HydrophobicContact CZ-CB 3.76Å; F133-C137 VanDerWaalsContact O-CB 3.31Å; F133-C137 WeakPolarHBondContact O-CB 3.38Å; F133-C137 PolarHBondContact O-N 3.38Å; C137-C166 HydrophobicContact CB-CB 3.94Å; C137-C166 WeakPolarHBondContact CB-SG 3.19Å; C137-C166 CarbonylContact O-C 3.55Å; C137-C166 VanDerWaalsContact O-CA 3.26Å; C137-C166 WeakPolarHBondContact O-CA 3.38Å; C137-C166 WeakPolarHBondContact O-CB 3.4Å; C137-C166 WeakPolarHBondContact SG-CA 3.33Å; C137-C166 WeakPolarHBondContact SG-CB 3.41Å; C137-C166 CovalentContact SG-SG 2.04Å; C137-C166 PolarHBondContact SG-SG 3.45Å; C137-A167 PolarHBondContact O-N 3.01Å; C137-G168 PolarHBondContact O-N 3.19Å |
| 138 | R | 90.4 | Very high | 86.8 | Confident | 183 Ų | 183 | 41.5 Ų | 41.5 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | trans | 45.2 | 65.3 | -176.2 | -63.5 | -173 | -179.4 | 153.5 | -1.8 | 112.3 | L134 V136 A167 | L134-R138 PolarHBondContact O-N 3.22Å; V136-R138 VanDerWaalsContact C-N 3.34Å; V136-R138 PolarHBondContact O-N 3.37Å; R138-A167 WeakPolarHBondContact O-CB 3.3Å; R138-A167 PolarHBondContact O-N 3.41Å | ||
| 139 | P | 89.3 | Confident | 86 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 144.1 | -175.7 | 30.1 | -35.6 | 0 | 0 | 0 | 112.2 | F24 L134 Y141 L144 A165 | F24-P139 HydrophobicContact CE2-CB 4.28Å; F24-P139 HydrophobicContact CE2-CG 4.28Å; F24-P139 HydrophobicContact CZ-CB 4.14Å; L134-P139 HydrophobicContact CD2-CG 4.2Å; P139-Y141 HydrophobicContact CG-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CE1 3.74Å; P139-Y141 HydrophobicContact CG-CE2 4.02Å; P139-Y141 PolarHBondContact O-N 3.35Å; P139-L144 HydrophobicContact CB-CD1 3.88Å; P139-A165 WeakPolarHBondContact CA-O 3.35Å; P139-A165 WeakPolarHBondContact CB-O 3.22Å |
| 140 | N | 87.8 | Confident | 84.9 | Confident | 89 Ų | 89 | 47.4 Ų | 47.4 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | trans | -84.6 | 89.8 | 174.1 | -170.5 | -4.1 | 0 | 0 | 0 | 110.3 | T142 A143 L144 | N140-T142 VanDerWaalsContact C-N 3.26Å; N140-T142 PolarHBondContact O-N 2.94Å; N140-T142 PolarHBondContact OD1-OG1 2.99Å; N140-A143 HydrophobicContact CB-CB 4.11Å; N140-A143 PolarHBondContact O-N 3.48Å; N140-L144 WeakPolarHBondContact O-CG 3.23Å; N140-L144 PolarHBondContact O-N 3.14Å; N140-L144 VanDerWaalsContact O-N 3.07Å | ||
| 141 | Y | 83.9 | Confident | 83.7 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.8 | -174.4 | -65.6 | -69 | 0 | 0 | 0 | 114.2 | C26 Y27 P139 L144 G145 C146 | C26-Y141 HydrophobicContact CB-CD1 4.37Å; C26-Y141 HydrophobicContact CB-CE1 4.38Å; Y27-Y141 HydrophobicContact CD1-CE1 4.26Å; Y27-Y141 HydrophobicContact CD1-CE2 4.16Å; Y27-Y141 HydrophobicContact CD2-CD1 4.4Å; Y27-Y141 HydrophobicContact CD2-CE1 4.46Å; Y27-Y141 HydrophobicContact CE1-CD1 4.2Å; Y27-Y141 AromaticContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CE1 4.23Å; Y27-Y141 AromaticContact CE1-CE2 3.71Å; Y27-Y141 HydrophobicContact CE1-CE2 3.71Å; Y27-Y141 AromaticContact CE1-CG 3.94Å; Y27-Y141 HydrophobicContact CE1-CG 3.94Å; Y27-Y141 AromaticContact CE1-CZ 3.98Å; Y27-Y141 AromaticContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CE1 4.44Å; Y27-Y141 HydrophobicContact CE2-CG 4.1Å; Y27-Y141 HydrophobicContact CG-CE1 4.38Å; Y27-Y141 AromaticContact CZ-CD1 3.88Å; Y27-Y141 AromaticContact CZ-CD2 3.79Å; Y27-Y141 AromaticContact CZ-CG 3.58Å; Y27-Y141 WeakPolarHBondContact OH-CB 3.45Å; P139-Y141 HydrophobicContact CG-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CE1 3.74Å; P139-Y141 HydrophobicContact CG-CE2 4.02Å; P139-Y141 PolarHBondContact O-N 3.35Å; Y141-L144 PolarHBondContact O-N 2.94Å; Y141-G145 PolarHBondContact O-N 2.86Å; Y141-C146 HydrophobicContact CD1-CB 3.95Å; Y141-C146 HydrophobicContact CG-CB 4.5Å; Y141-C146 PolarHBondContact O-N 3.49Å |
| 142 | T | 82.9 | Confident | 82.5 | Confident | 120 Ų | 120 | 60 Ų | 60 | 74% | 0.736 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -40.7 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | N140 L144 G145 | N140-T142 VanDerWaalsContact C-N 3.26Å; N140-T142 PolarHBondContact O-N 2.94Å; N140-T142 PolarHBondContact OD1-OG1 2.99Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 3.17Å; T142-G145 PolarHBondContact O-N 2.98Å |
| 143 | A | 83 | Confident | 81.2 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N140 G145 | N140-A143 HydrophobicContact CB-CB 4.11Å; N140-A143 PolarHBondContact O-N 3.48Å; A143-G145 PolarHBondContact O-N 2.97Å |
| 144 | L | 81.4 | Confident | 79.5 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.2 | 176 | -64.7 | 168.5 | 0 | 0 | 0 | 113 | P139 N140 Y141 T142 C146 R158 V160 A165 | P139-L144 HydrophobicContact CB-CD1 3.88Å; N140-L144 WeakPolarHBondContact O-CG 3.23Å; N140-L144 PolarHBondContact O-N 3.14Å; N140-L144 VanDerWaalsContact O-N 3.07Å; Y141-L144 PolarHBondContact O-N 2.94Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 3.17Å; L144-C146 PolarHBondContact O-N 3.06Å; L144-R158 WeakPolarHBondContact O-CD 3.48Å; L144-R158 PolarHBondContact O-NE 2.96Å; L144-R158 PolarHBondContact O-NH1 2.91Å; L144-V160 HydrophobicContact CD1-CG1 4.36Å; L144-V160 HydrophobicContact CD1-CG2 4.41Å; L144-V160 HydrophobicContact CD2-CG1 3.86Å; L144-A165 HydrophobicContact CD1-CB 3.88Å; L144-A165 HydrophobicContact CD2-CB 3.76Å; L144-A165 HydrophobicContact CG-CB 4.41Å |
| 145 | G | 78.5 | Confident | 78 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 38% | 0.381 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 39.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y141 T142 A143 P147 R158 | Y141-G145 PolarHBondContact O-N 2.86Å; T142-G145 PolarHBondContact O-N 2.98Å; A143-G145 PolarHBondContact O-N 2.97Å; G145-P147 WeakPolarHBondContact O-CD 3.28Å; G145-R158 PolarHBondContact O-NH1 2.94Å |
| 146 | C | 81.6 | Confident | 76.6 | Confident | 8 Ų | 8 | 74.7 Ų | 74.7 | 5% | 0.054 | 44% | 0.44 | C | S | . | . | trans | -87.1 | 107.6 | 168.6 | -57.4 | 0 | 0 | 0 | 0 | 107.5 | C26 Y27 Y141 L144 | C26-C146 HydrophobicContact CB-CB 3.54Å; C26-C146 WeakPolarHBondContact CB-SG 3.44Å; C26-C146 WeakPolarHBondContact SG-CB 3.45Å; C26-C146 CovalentContact SG-SG 2.04Å; C26-C146 PolarHBondContact SG-SG 3.37Å; Y27-C146 HydrophobicContact CE2-CB 4.12Å; Y141-C146 HydrophobicContact CD1-CB 3.95Å; Y141-C146 HydrophobicContact CG-CB 4.5Å; Y141-C146 PolarHBondContact O-N 3.49Å; L144-C146 PolarHBondContact O-N 3.06Å | ||
| 147 | P | 75.1 | Confident | 75.3 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 146 | 174.2 | 26.7 | -32.3 | 0 | 0 | 0 | 110.1 | G145 | G145-P147 WeakPolarHBondContact O-CD 3.28Š|
| 148 | P | 72.5 | Confident | 74.6 | Confident | 95 Ų | 95 | 84.3 Ų | 84.3 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -63 | 146.5 | 175.1 | 26.3 | -32.5 | 0 | 0 | 0 | 110.1 | S150 | P148-S150 PolarHBondContact O-N 3.45Å; P148-S150 VanDerWaalsContact O-N 3.16Å |
| 149 | P | 71.4 | Confident | 74.2 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 63% | 0.63 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 121.7 | 176.9 | 23.7 | -31.5 | 0 | 0 | 0 | 109.3 | ||
| 150 | S | 67.1 | Low | 73.9 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -117.3 | 153.5 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 109.8 | P148 D152 R153 | P148-S150 PolarHBondContact O-N 3.45Å; P148-S150 VanDerWaalsContact O-N 3.16Å; S150-D152 PolarHBondContact O-N 3Å; S150-D152 VanDerWaalsContact O-N 3.11Å; S150-R153 CarbonylContact O-C 3.3Å; S150-R153 VanDerWaalsContact O-C 3.3Å; S150-R153 PolarHBondContact O-N 2.93Å |
| 151 | P | 68.3 | Low | 73.5 | Confident | 124 Ų | 124 | 80.3 Ų | 80.3 | 81% | 0.805 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.3 | 178.6 | 20 | -31.3 | 0 | 0 | 0 | 113.5 | R153 | P151-R153 VanDerWaalsContact C-N 3.32Š|
| 152 | D | 67.5 | Low | 73.2 | Confident | 154 Ų | 154 | 81.9 Ų | 81.9 | 82% | 0.824 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.3 | 177.6 | -59.3 | -39.1 | 0 | 0 | 0 | 113.8 | S150 | S150-D152 PolarHBondContact O-N 3Å; S150-D152 VanDerWaalsContact O-N 3.11Å |
| 153 | R | 66.3 | Low | 72.6 | Confident | 138 Ų | 138 | 82.4 Ų | 82.4 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -147.7 | 83.5 | -175.2 | -168.1 | 176 | -85 | -165.2 | 7.7 | 110.3 | S150 P151 G155 D157 | S150-R153 CarbonylContact O-C 3.3Å; S150-R153 VanDerWaalsContact O-C 3.3Å; S150-R153 PolarHBondContact O-N 2.93Å; P151-R153 VanDerWaalsContact C-N 3.32Å; R153-G155 PolarHBondContact O-N 3.41Å; R153-G155 VanDerWaalsContact O-N 3.12Å; R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 3.5Å |
| 154 | P | 58.1 | Low | 72.1 | Confident | 128 Ų | 128 | 83 Ų | 83 | 83% | 0.831 | 48% | 0.479 | S | S | * | . | trans | -76.5 | 5.4 | -171.1 | -12.4 | 28.3 | 0 | 0 | 0 | 114.8 | ||||
| 155 | G | 58.2 | Low | 72.1 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -102.1 | 151.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R153 D157 | R153-G155 PolarHBondContact O-N 3.41Å; R153-G155 VanDerWaalsContact O-N 3.12Å; G155-D157 VanDerWaalsContact CA-OD1 3.24Å; G155-D157 WeakPolarHBondContact CA-OD1 3.28Å; G155-D157 PolarHBondContact O-N 3.28Å |
| 156 | P | 61.9 | Low | 72.6 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | trans | -75.1 | 77.8 | 165.7 | 32.3 | -32.3 | 0 | 0 | 0 | 109 | F25 R158 | F25-P156 HydrophobicContact CB-CB 4.05Å; F25-P156 HydrophobicContact CD1-CB 4.46Å; P156-R158 PolarHBondContact O-N 2.58Å | ||
| 157 | D | 64.4 | Low | 72.9 | Confident | 92 Ų | 92 | 85.4 Ų | 85.4 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | trans | -75.2 | 3.5 | -158.5 | -80.5 | 11.1 | 0 | 0 | 0 | 116 | R153 G155 | R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 3.5Å; G155-D157 VanDerWaalsContact CA-OD1 3.24Å; G155-D157 WeakPolarHBondContact CA-OD1 3.28Å; G155-D157 PolarHBondContact O-N 3.28Å | ||
| 158 | R | 75.9 | Confident | 73.6 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | trans | -146 | 129.5 | 178.8 | -171.2 | 172.9 | -173.7 | 163.9 | -2.3 | 112.9 | C26 L144 G145 P156 | C26-R158 PolarHBondContact N-O 3.45Å; C26-R158 PolarHBondContact SG-O 2.98Å; L144-R158 WeakPolarHBondContact O-CD 3.48Å; L144-R158 PolarHBondContact O-NE 2.96Å; L144-R158 PolarHBondContact O-NH1 2.91Å; G145-R158 PolarHBondContact O-NH1 2.94Å; P156-R158 PolarHBondContact O-N 2.58Å | ||
| 159 | F | 83.3 | Confident | 74.4 | Confident | 98 Ų | 98 | 81.3 Ų | 81.3 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.6 | 171.5 | -173.2 | -110.8 | 0 | 0 | 0 | 109.7 | F25 T161 | F25-F159 HydrophobicContact CD1-CB 4.13Å; F25-F159 HydrophobicContact CD1-CD2 4.04Å; F25-F159 AromaticContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CE2 4.31Å; F25-F159 HydrophobicContact CE1-CB 3.89Å; F25-F159 AromaticContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CG 4.29Å; F25-F159 AromaticContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CE2 4.02Å; F25-F159 HydrophobicContact CG-CD2 4.06Å; F25-F159 HydrophobicContact CZ-CB 4.43Å; F25-F159 AromaticContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CE2 4.32Å; F25-F159 HydrophobicContact CZ-CG 4.37Å; F159-T161 HydrophobicContact CD1-CG2 3.73Å; F159-T161 HydrophobicContact CE1-CG2 3.3Å; F159-T161 HydrophobicContact CZ-CG2 4.24Å |
| 160 | V | 83.3 | Confident | 75.3 | Confident | 8 Ų | 8 | 82 Ų | 82 | 5% | 0.048 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.6 | -177.2 | -179.5 | 0 | 0 | 0 | 0 | 109 | G23 F24 L144 D162 A165 | G23-V160 CarbonylContact C-O 3.43Å; G23-V160 WeakPolarHBondContact CA-O 3.29Å; F24-V160 HydrophobicContact CE1-CB 4.28Å; F24-V160 HydrophobicContact CE1-CG1 4.17Å; F24-V160 HydrophobicContact CE2-CB 4.24Å; F24-V160 HydrophobicContact CZ-CB 4.05Å; F24-V160 HydrophobicContact CZ-CG1 4Å; F24-V160 PolarHBondContact N-O 3.32Å; F24-V160 PolarHBondContact O-N 3.42Å; L144-V160 HydrophobicContact CD1-CG1 4.36Å; L144-V160 HydrophobicContact CD1-CG2 4.41Å; L144-V160 HydrophobicContact CD2-CG1 3.86Å; V160-D162 HydrophobicContact CG1-CB 4.42Å; V160-A165 HydrophobicContact CG1-CB 3.81Å |
| 161 | T | 79.9 | Confident | 76.3 | Confident | 93 Ų | 93 | 83.8 Ų | 83.8 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | trans | -103.4 | -7.4 | 175.5 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | F159 | F159-T161 HydrophobicContact CD1-CG2 3.73Å; F159-T161 HydrophobicContact CE1-CG2 3.3Å; F159-T161 HydrophobicContact CZ-CG2 4.24Å | ||
| 162 | D | 75.7 | Confident | 77.3 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | trans | -73.2 | 132 | -174.3 | -166.1 | 2.4 | 0 | 0 | 0 | 111.9 | V160 S164 A165 | V160-D162 HydrophobicContact CG1-CB 4.42Å; D162-S164 VanDerWaalsContact C-N 3.31Å; D162-S164 VanDerWaalsContact CG-OG 3.28Å; D162-S164 PolarHBondContact OD1-N 3.43Å; D162-S164 VanDerWaalsContact OD1-N 3.12Å; D162-S164 PolarHBondContact OD1-OG 2.94Å; D162-S164 PolarHBondContact OD2-OG 2.85Å; D162-A165 VanDerWaalsContact O-CB 3.22Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 2.97Å | ||
| 163 | Q | 70.5 | Confident | 78.4 | Confident | 132 Ų | 132 | 74.7 Ų | 74.7 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -73.7 | -24.6 | 176.3 | -77.2 | 173.5 | 6.2 | 0 | 0 | 112.2 | V21 A165 | V21-Q163 HydrophobicContact CB-CG 4.48Å; V21-Q163 HydrophobicContact CG1-CG 4.03Å; V21-Q163 HydrophobicContact CG2-CG 4.36Å; Q163-A165 PolarHBondContact O-N 3.48Å |
| 164 | S | 73.6 | Confident | 79.4 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 64% | 0.643 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -73.5 | -5.6 | 177.8 | 84.2 | 0 | 0 | 0 | 0 | 113.5 | D162 C166 | D162-S164 VanDerWaalsContact C-N 3.31Å; D162-S164 VanDerWaalsContact CG-OG 3.28Å; D162-S164 PolarHBondContact OD1-N 3.43Å; D162-S164 VanDerWaalsContact OD1-N 3.12Å; D162-S164 PolarHBondContact OD1-OG 2.94Å; D162-S164 PolarHBondContact OD2-OG 2.85Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 2.9Å |
| 165 | A | 81.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -68.1 | -20.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F24 P139 L144 V160 D162 Q163 | F24-A165 HydrophobicContact CE1-CB 4.31Å; F24-A165 HydrophobicContact CZ-CB 4.06Å; P139-A165 WeakPolarHBondContact CA-O 3.35Å; P139-A165 WeakPolarHBondContact CB-O 3.22Å; L144-A165 HydrophobicContact CD1-CB 3.88Å; L144-A165 HydrophobicContact CD2-CB 3.76Å; L144-A165 HydrophobicContact CG-CB 4.41Å; V160-A165 HydrophobicContact CG1-CB 3.81Å; D162-A165 VanDerWaalsContact O-CB 3.22Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 2.97Å; Q163-A165 PolarHBondContact O-N 3.48Å |
| 166 | C | 87.9 | Confident | 82.4 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 130 | -176.5 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | C137 S164 V173 | C137-C166 HydrophobicContact CB-CB 3.94Å; C137-C166 WeakPolarHBondContact CB-SG 3.19Å; C137-C166 CarbonylContact O-C 3.55Å; C137-C166 VanDerWaalsContact O-CA 3.26Å; C137-C166 WeakPolarHBondContact O-CA 3.38Å; C137-C166 WeakPolarHBondContact O-CB 3.4Å; C137-C166 WeakPolarHBondContact SG-CA 3.33Å; C137-C166 WeakPolarHBondContact SG-CB 3.41Å; C137-C166 CovalentContact SG-SG 2.04Å; C137-C166 PolarHBondContact SG-SG 3.45Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 2.9Å; C166-V173 HydrophobicContact CB-CG1 4.23Å; C166-V173 HydrophobicContact CB-CG2 4.17Å |
| 167 | A | 89.1 | Confident | 83.7 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 69% | 0.694 | 38% | 0.377 | S | S | * | . | trans | -94 | -8.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C137 R138 | C137-A167 PolarHBondContact O-N 3.01Å; R138-A167 WeakPolarHBondContact O-CB 3.3Å; R138-A167 PolarHBondContact O-N 3.41Å | ||
| 168 | G | 88.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -68 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V136 C137 | V136-G168 WeakPolarHBondContact O-CA 3.37Å; C137-G168 PolarHBondContact O-N 3.19Å |
| 169 | S | 90.3 | Very high | 85.5 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | trans | -67.8 | 132.9 | 179.1 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | S171 L172 V173 | S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 3.4Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 WeakPolarHBondContact OG-CB 3.3Å; S169-L172 VanDerWaalsContact OG-CD1 3.26Å; S169-L172 WeakPolarHBondContact OG-CD1 3.23Å; S169-L172 VanDerWaalsContact OG-CG 3.25Å; S169-L172 WeakPolarHBondContact OG-CG 3.47Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.26Å | ||
| 170 | P | 88.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 72% | 0.721 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.1 | -31.1 | -170.8 | 23.6 | -34.1 | 0 | 0 | 0 | 112.9 | A174 | P170-A174 VanDerWaalsContact O-CB 3.25Å; P170-A174 WeakPolarHBondContact O-CB 3.23Å; P170-A174 PolarHBondContact O-N 2.92Å |
| 171 | S | 88.9 | Confident | 86.4 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.2 | -41.6 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 113 | S169 A175 | S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 3.4Å; S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 3.45Å |
| 172 | L | 89.6 | Confident | 87.1 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | 177.6 | -65.2 | -179.9 | 0 | 0 | 0 | 111.2 | V136 S169 A175 A176 | V136-L172 HydrophobicContact CG1-CB 3.51Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 WeakPolarHBondContact OG-CB 3.3Å; S169-L172 VanDerWaalsContact OG-CD1 3.26Å; S169-L172 WeakPolarHBondContact OG-CD1 3.23Å; S169-L172 VanDerWaalsContact OG-CG 3.25Å; S169-L172 WeakPolarHBondContact OG-CG 3.47Å; L172-A175 PolarHBondContact O-N 3.46Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.49Å |
| 173 | V | 90.2 | Very high | 88.1 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | F133 V136 C166 S169 A175 A176 R177 | F133-V173 HydrophobicContact CE2-CG1 4.08Å; V136-V173 HydrophobicContact CG1-CG2 4.09Å; C166-V173 HydrophobicContact CB-CG1 4.23Å; C166-V173 HydrophobicContact CB-CG2 4.17Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.26Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.09Å; V173-A176 PolarHBondContact O-N 3.47Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.9Å |
| 174 | A | 88.3 | Confident | 89.3 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P170 R177 | P170-A174 VanDerWaalsContact O-CB 3.25Å; P170-A174 WeakPolarHBondContact O-CB 3.23Å; P170-A174 PolarHBondContact O-N 2.92Å; A174-R177 PolarHBondContact O-N 3.47Å |
| 175 | A | 87.8 | Confident | 90.4 | Very high | 51 Ų | 51 | 41 Ų | 41 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S171 L172 V173 R177 R178 | S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 3.45Å; L172-A175 PolarHBondContact O-N 3.46Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.09Å; A175-R177 PolarHBondContact O-N 3Å; A175-R178 PolarHBondContact O-N 2.7Å; A175-R178 VanDerWaalsContact O-N 3.14Å |
| 176 | A | 89.9 | Confident | 91.1 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69 | -8.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P129 T130 F133 L172 V173 | P129-A176 CarbonylContact C-O 3.03Å; P129-A176 WeakPolarHBondContact CA-O 3.42Å; T130-A176 WeakPolarHBondContact CG2-O 3.39Å; T130-A176 PolarHBondContact N-O 2.88Å; T130-A176 PolarHBondContact OG1-O 3.31Å; F133-A176 HydrophobicContact CD2-CB 3.94Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.49Å; V173-A176 PolarHBondContact O-N 3.47Å |
| 177 | R | 90.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 10.7 | 172.7 | -68.9 | -179.9 | 176.8 | -80.7 | 9.8 | 113.6 | E22 G127 N128 F133 V173 A174 A175 | E22-R177 PolarHBondContact O-NH1 3.36Å; G127-R177 CarbonylContact C-O 3.5Å; G127-R177 WeakPolarHBondContact CA-O 3.49Å; N128-R177 PolarHBondContact N-O 3Å; N128-R177 CarbonylContact O-C 3.52Å; F133-R177 HydrophobicContact CD2-CG 4.13Å; F133-R177 HydrophobicContact CE2-CG 3.71Å; F133-R177 VanDerWaalsContact CZ-CZ 3.48Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.9Å; A174-R177 PolarHBondContact O-N 3.47Å; A175-R177 PolarHBondContact O-N 3Å |
| 178 | R | 89.2 | Confident | 92 | Very high | 128 Ų | 128 | 35.9 Ų | 35.9 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | trans | -113.4 | 46 | -177.1 | -66.6 | 179.2 | 179.2 | 165.9 | 0 | 112 | Q123 A175 | Q123-R178 HydrophobicContact CB-CB 4.02Å; Q123-R178 HydrophobicContact CB-CG 4.2Å; Q123-R178 HydrophobicContact CG-CB 4.19Å; Q123-R178 PolarHBondContact NE2-O 3.43Å; A175-R178 PolarHBondContact O-N 2.7Å; A175-R178 VanDerWaalsContact O-N 3.14Å | ||
| 179 | A | 89 | Confident | 92.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -76.4 | -39.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N128 P129 T130 P181 N236 D240 | N128-A179 HydrophobicContact CB-CB 4.48Å; N128-A179 WeakPolarHBondContact O-CB 3.22Å; N128-A179 PolarHBondContact O-N 3.41Å; N128-A179 VanDerWaalsContact O-N 3.08Å; P129-A179 WeakPolarHBondContact O-CB 3.39Å; T130-A179 HydrophobicContact CG2-CB 3.71Å; A179-P181 CarbonylContact O-C 3.44Å; A179-N236 PolarHBondContact O-ND2 3.24Å; A179-D240 WeakPolarHBondContact O-CB 3.06Å | ||
| 180 | F | 91.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -109.5 | 134.4 | -171.4 | -178.1 | -89 | 0 | 0 | 0 | 112.7 | G122 Q123 T126 N128 D240 A243 | G122-F180 CarbonylContact C-O 3.31Å; G122-F180 VanDerWaalsContact C-O 3.31Å; Q123-F180 WeakPolarHBondContact CA-O 3.4Å; Q123-F180 WeakPolarHBondContact CG-O 3.35Å; Q123-F180 PolarHBondContact N-O 3.44Å; T126-F180 HydrophobicContact CG2-CB 4.17Å; T126-F180 HydrophobicContact CG2-CD1 3.79Å; T126-F180 HydrophobicContact CG2-CG 4.23Å; T126-F180 WeakPolarHBondContact OG1-CD1 3.39Å; N128-F180 HydrophobicContact CB-CB 3.9Å; F180-D240 HydrophobicContact CD2-CB 4.39Å; F180-D240 WeakPolarHBondContact CD2-OD1 3.42Å; F180-A243 HydrophobicContact CD2-CB 4.33Å; F180-A243 HydrophobicContact CE2-CB 3.47Å; F180-A243 VanDerWaalsContact CE2-CB 3.47Å; F180-A243 HydrophobicContact CZ-CB 3.93Å |
| 181 | P | 93.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | S | Bend | cis | -75.1 | 165.6 | -18 | 32.1 | -34.7 | 0 | 0 | 0 | 111.2 | Q123 A179 K183 A243 | Q123-P181 PolarHBondContact NE2-O 2.94Å; A179-P181 CarbonylContact O-C 3.44Å; P181-K183 PolarHBondContact O-N 3.13Å; P181-A243 HydrophobicContact CB-CB 4.39Å |
| 182 | C | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | trans | -69.6 | 107.2 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | D184 A185 A186 N236 D240 V241 | C182-D184 PolarHBondContact O-N 3.49Å; C182-A185 HydrophobicContact CB-CB 3.85Å; C182-A185 PolarHBondContact O-N 3.47Å; C182-A186 PolarHBondContact O-N 2.71Å; C182-A186 VanDerWaalsContact O-N 3.09Å; C182-N236 HydrophobicContact CB-CB 4.45Å; C182-D240 WeakPolarHBondContact CB-O 3.41Å; C182-D240 PolarHBondContact N-O 3.18Å; C182-V241 HydrophobicContact CB-CB 4.48Å; C182-V241 HydrophobicContact CB-CG2 4.01Å | ||
| 183 | K | 95.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 22.3 Ų | 22.3 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | -179.8 | -179.9 | -178 | 64.6 | 174.8 | 0 | 112.6 | Y50 A119 P181 A185 A186 L187 | Y50-K183 WeakPolarHBondContact OH-CE 3.32Å; Y50-K183 PolarHBondContact OH-NZ 3.41Å; A119-K183 HydrophobicContact CB-CB 4Å; A119-K183 HydrophobicContact CB-CG 3.93Å; P181-K183 PolarHBondContact O-N 3.13Å; K183-A185 PolarHBondContact O-N 3.39Å; K183-A186 WeakPolarHBondContact O-CB 3.19Å; K183-A186 PolarHBondContact O-N 3.29Å; K183-L187 HydrophobicContact CG-CD1 4.05Å; K183-L187 HydrophobicContact CG-CG 4.46Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.36Å |
| 184 | D | 95.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | -176.4 | -63 | -38 | 0 | 0 | 0 | 111.9 | I49 C182 A186 L187 C188 V226 R230 | I49-D184 HydrophobicContact CD1-CB 3.93Å; C182-D184 PolarHBondContact O-N 3.49Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.1Å; D184-L187 PolarHBondContact O-N 3.39Å; D184-C188 WeakPolarHBondContact O-CB 3.4Å; D184-C188 PolarHBondContact O-N 2.87Å; D184-C188 PolarHBondContact O-SG 3.33Å; D184-V226 HydrophobicContact CB-CG1 4.36Å; D184-R230 IonicContact OD2-CZ 3.67Å; D184-R230 IonicContact OD2-NE 3.82Å; D184-R230 PolarHBondContact OD2-NE 2.91Å; D184-R230 IonicContact OD2-NH2 2.75Å; D184-R230 PolarHBondContact OD2-NH2 3.42Å |
| 185 | A | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C182 K183 C188 A189 V241 F245 | C182-A185 HydrophobicContact CB-CB 3.85Å; C182-A185 PolarHBondContact O-N 3.47Å; K183-A185 PolarHBondContact O-N 3.39Å; A185-C188 PolarHBondContact O-N 3.21Å; A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 2.99Å; A185-V241 HydrophobicContact CB-CG1 4.01Å; A185-F245 HydrophobicContact CB-CD1 3.75Å; A185-F245 HydrophobicContact CB-CE1 3.67Å; A185-F245 HydrophobicContact CB-CG 4.41Å; A185-F245 HydrophobicContact CB-CZ 4.26Å; A185-F245 VanDerWaalsContact O-CD1 3.3Å; A185-F245 WeakPolarHBondContact O-CD1 3.08Å |
| 186 | A | 97.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | T115 C182 K183 D184 Y190 G244 G248 | T115-A186 HydrophobicContact CG2-CB 3.96Å; C182-A186 PolarHBondContact O-N 2.71Å; C182-A186 VanDerWaalsContact O-N 3.09Å; K183-A186 WeakPolarHBondContact O-CB 3.19Å; K183-A186 PolarHBondContact O-N 3.29Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.1Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 3.02Å; A186-G244 WeakPolarHBondContact CA-O 3.09Å; A186-G244 WeakPolarHBondContact CB-O 3.2Å; A186-G248 WeakPolarHBondContact O-CA 3.23Å |
| 187 | L | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 178.6 | -65.8 | 173.4 | 0 | 0 | 0 | 112 | Y50 V53 L112 T115 K183 D184 Y190 A191 | Y50-L187 HydrophobicContact CD1-CD1 4.12Å; Y50-L187 HydrophobicContact CE1-CD1 3.52Å; V53-L187 HydrophobicContact CG2-CB 4.4Å; L112-L187 HydrophobicContact CD1-CD2 3.84Å; T115-L187 HydrophobicContact CG2-CD2 3.99Å; K183-L187 HydrophobicContact CG-CD1 4.05Å; K183-L187 HydrophobicContact CG-CG 4.46Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.36Å; D184-L187 PolarHBondContact O-N 3.39Å; L187-Y190 PolarHBondContact O-N 2.74Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 2.89Å |
| 188 | C | 97.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 7% | 0.068 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.8 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | D184 A185 Y190 A191 V192 A223 | D184-C188 WeakPolarHBondContact O-CB 3.4Å; D184-C188 PolarHBondContact O-N 2.87Å; D184-C188 PolarHBondContact O-SG 3.33Å; A185-C188 PolarHBondContact O-N 3.21Å; C188-Y190 PolarHBondContact O-N 2.88Å; C188-A191 PolarHBondContact O-N 3.46Å; C188-V192 WeakPolarHBondContact O-CG1 3.16Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.08Å; C188-V192 PolarHBondContact O-N 2.8Å; C188-A223 HydrophobicContact CB-CB 3.83Å |
| 189 | A | 97.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 5% | 0.05 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A185 A191 V192 T193 F245 | A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.08Å; A189-V192 WeakPolarHBondContact O-CG2 3.33Å; A189-V192 PolarHBondContact O-N 3.46Å; A189-T193 WeakPolarHBondContact O-CB 3.43Å; A189-T193 PolarHBondContact O-N 3.06Å; A189-T193 PolarHBondContact O-OG1 3.2Å; A189-F245 HydrophobicContact CB-CB 4.31Å; A189-F245 HydrophobicContact CB-CD1 3.8Å; A189-F245 WeakPolarHBondContact CB-O 3.46Å |
| 190 | Y | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | 176.5 | 174.3 | -99.6 | 0 | 0 | 0 | 111.6 | Y108 G111 L112 A186 L187 C188 Y194 I251 A252 L255 | Y108-Y190 WeakPolarHBondContact CA-OH 3.46Å; Y108-Y190 AromaticContact CD2-CE1 3.63Å; Y108-Y190 HydrophobicContact CD2-CE1 3.63Å; Y108-Y190 AromaticContact CE2-CD1 3.88Å; Y108-Y190 HydrophobicContact CE2-CD1 3.88Å; Y108-Y190 AromaticContact CE2-CE1 3.32Å; Y108-Y190 HydrophobicContact CE2-CE1 3.32Å; Y108-Y190 PolarHBondContact O-OH 3.03Å; G111-Y190 VanDerWaalsContact C-CZ 3.41Å; G111-Y190 VanDerWaalsContact CA-OH 3.25Å; G111-Y190 WeakPolarHBondContact CA-OH 3.4Å; L112-Y190 HydrophobicContact CB-CD1 4.39Å; L112-Y190 HydrophobicContact CB-CE1 3.96Å; L112-Y190 HydrophobicContact CD1-CD1 3.9Å; L112-Y190 HydrophobicContact CD1-CE1 4.25Å; L112-Y190 VanDerWaalsContact N-CE1 3.33Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 3.02Å; L187-Y190 PolarHBondContact O-N 2.74Å; C188-Y190 PolarHBondContact O-N 2.88Å; Y190-Y194 VanDerWaalsContact O-CB 3.27Å; Y190-Y194 WeakPolarHBondContact O-CB 3.43Å; Y190-Y194 PolarHBondContact O-N 2.87Å; Y190-I251 HydrophobicContact CD2-CB 4.35Å; Y190-I251 HydrophobicContact CD2-CG2 4.04Å; Y190-I251 HydrophobicContact CE2-CG2 4.01Å; Y190-A252 HydrophobicContact CD2-CB 3.65Å; Y190-A252 HydrophobicContact CE2-CB 3.93Å; Y190-L255 HydrophobicContact CE2-CD1 4.11Å |
| 191 | A | 96.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 5% | 0.05 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V53 P57 Y108 L187 C188 A189 T195 | V53-A191 HydrophobicContact CB-CB 4.34Å; V53-A191 HydrophobicContact CG1-CB 4.09Å; V53-A191 HydrophobicContact CG2-CB 4.09Å; P57-A191 HydrophobicContact CG-CB 4.16Å; Y108-A191 WeakPolarHBondContact OH-CB 3.47Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 2.89Å; C188-A191 PolarHBondContact O-N 3.46Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.08Å; A191-T195 VanDerWaalsContact O-CB 3.28Å; A191-T195 WeakPolarHBondContact O-CB 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 PolarHBondContact O-OG1 3.36Å |
| 192 | V | 95.9 | Very high | 92 | Very high | 20 Ų | 20 | 18.3 Ų | 18.3 | 12% | 0.121 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.8 | -37.4 | -176.7 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | C188 A189 T195 A196 L219 L220 A223 | C188-V192 WeakPolarHBondContact O-CG1 3.16Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.08Å; C188-V192 PolarHBondContact O-N 2.8Å; A189-V192 WeakPolarHBondContact O-CG2 3.33Å; A189-V192 PolarHBondContact O-N 3.46Å; V192-T195 PolarHBondContact O-N 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.39Å; V192-A196 PolarHBondContact O-N 3.03Å; V192-L219 HydrophobicContact CB-CB 4.5Å; V192-L219 VanDerWaalsContact CG1-O 3.23Å; V192-L219 WeakPolarHBondContact CG1-O 3.29Å; V192-L220 HydrophobicContact CG2-CD2 3.82Å; V192-A223 HydrophobicContact CB-CB 4.44Å; V192-A223 HydrophobicContact CG1-CB 3.85Å; V192-A223 HydrophobicContact CG2-CB 3.78Å |
| 193 | T | 95.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 14% | 0.141 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 176 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | A189 T195 A196 M197 A252 | A189-T193 WeakPolarHBondContact O-CB 3.43Å; A189-T193 PolarHBondContact O-N 3.06Å; A189-T193 PolarHBondContact O-OG1 3.2Å; T193-T195 PolarHBondContact O-N 3.21Å; T193-A196 PolarHBondContact O-N 3.46Å; T193-M197 HydrophobicContact CG2-CE 3.79Å; T193-M197 HydrophobicContact CG2-SD 4.38Å; T193-M197 WeakPolarHBondContact O-CG 3.35Å; T193-M197 PolarHBondContact O-N 3.49Å; T193-A252 HydrophobicContact CG2-CB 3.74Å |
| 194 | Y | 94.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 176 | -173.4 | -88.6 | 0 | 0 | 0 | 111.5 | I61 F104 V107 Y108 Y190 M197 Y198 V256 | I61-Y194 HydrophobicContact CD1-CE1 4.43Å; F104-Y194 PolarHBondContact O-OH 2.94Å; V107-Y194 HydrophobicContact CG1-CE2 4.15Å; Y108-Y194 AromaticContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD1 3.5Å; Y108-Y194 VanDerWaalsContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD2 4.35Å; Y108-Y194 AromaticContact CD2-CE1 3.88Å; Y108-Y194 HydrophobicContact CD2-CE1 3.88Å; Y108-Y194 AromaticContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CE2-CD1 4.25Å; Y108-Y194 HydrophobicContact CE2-CG 4.37Å; Y108-Y194 HydrophobicContact CG-CD1 4.28Å; Y108-Y194 HydrophobicContact CG-CE1 4.23Å; Y190-Y194 VanDerWaalsContact O-CB 3.27Å; Y190-Y194 WeakPolarHBondContact O-CB 3.43Å; Y190-Y194 PolarHBondContact O-N 2.87Å; Y194-M197 PolarHBondContact O-N 2.83Å; Y194-Y198 WeakPolarHBondContact O-CB 3.41Å; Y194-Y198 PolarHBondContact O-N 3.3Å; Y194-V256 HydrophobicContact CD2-CG2 3.53Å; Y194-V256 HydrophobicContact CE2-CG2 3.72Å; Y194-V256 HydrophobicContact CG-CG2 4.46Å |
| 195 | T | 92.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | P57 T60 A191 V192 T193 M197 Y198 V199 L219 | P57-T195 WeakPolarHBondContact CG-OG1 3.2Å; T60-T195 HydrophobicContact CG2-CG2 3.88Å; T60-T195 WeakPolarHBondContact OG1-CG2 3.42Å; A191-T195 VanDerWaalsContact O-CB 3.28Å; A191-T195 WeakPolarHBondContact O-CB 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 PolarHBondContact O-OG1 3.36Å; V192-T195 PolarHBondContact O-N 3.28Å; T193-T195 PolarHBondContact O-N 3.21Å; T195-M197 VanDerWaalsContact C-N 3.33Å; T195-M197 PolarHBondContact O-N 3.45Å; T195-Y198 PolarHBondContact O-N 3.42Å; T195-V199 HydrophobicContact CG2-CG2 4.2Å; T195-V199 VanDerWaalsContact O-CB 3.32Å; T195-V199 WeakPolarHBondContact O-CB 3.34Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.13Å; T195-V199 PolarHBondContact O-N 3.41Å; T195-L219 HydrophobicContact CG2-CD1 4.03Å; T195-L219 HydrophobicContact CG2-CD2 4.4Å |
| 196 | A | 91.1 | Very high | 85.7 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V192 T193 T200 L219 | V192-A196 WeakPolarHBondContact O-CB 3.39Å; V192-A196 PolarHBondContact O-N 3.03Å; T193-A196 PolarHBondContact O-N 3.46Å; A196-T200 VanDerWaalsContact O-CB 3.29Å; A196-T200 WeakPolarHBondContact O-CB 3.25Å; A196-T200 PolarHBondContact O-N 2.89Å; A196-T200 PolarHBondContact O-OG1 3.04Å; A196-L219 HydrophobicContact CB-CD1 4.08Å |
| 197 | M | 89.2 | Confident | 83.9 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.3 | -70.9 | -177.4 | 179.6 | 0 | 0 | 111.7 | T193 Y194 T195 V199 T200 L201 T253 V256 | T193-M197 HydrophobicContact CG2-CE 3.79Å; T193-M197 HydrophobicContact CG2-SD 4.38Å; T193-M197 WeakPolarHBondContact O-CG 3.35Å; T193-M197 PolarHBondContact O-N 3.49Å; Y194-M197 PolarHBondContact O-N 2.83Å; T195-M197 VanDerWaalsContact C-N 3.33Å; T195-M197 PolarHBondContact O-N 3.45Å; M197-V199 PolarHBondContact O-N 3.31Å; M197-T200 PolarHBondContact O-N 2.95Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.22Å; M197-L201 PolarHBondContact O-N 3.18Å; M197-T253 HydrophobicContact CE-CG2 4.01Å; M197-T253 WeakPolarHBondContact CE-OG1 3.32Å; M197-V256 HydrophobicContact CB-CG1 4.13Å; M197-V256 HydrophobicContact CB-CG2 4.38Å; M197-V256 HydrophobicContact SD-CB 3.69Å; M197-V256 HydrophobicContact SD-CG1 3.8Å; M197-V256 HydrophobicContact SD-CG2 3.86Å |
| 198 | Y | 87.3 | Confident | 82.2 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.7 | -52 | 176.3 | 172.7 | -97.9 | 0 | 0 | 0 | 111.6 | I61 F104 Y194 T195 T200 L201 V202 | I61-Y198 HydrophobicContact CB-CE1 4.31Å; I61-Y198 HydrophobicContact CG1-CD1 4.18Å; I61-Y198 HydrophobicContact CG1-CD2 4.34Å; I61-Y198 HydrophobicContact CG1-CE1 3.99Å; I61-Y198 HydrophobicContact CG1-CE2 4.14Å; I61-Y198 HydrophobicContact CG1-CG 4.35Å; I61-Y198 HydrophobicContact CG2-CE2 4.33Å; I61-Y198 PolarHBondContact O-OH 2.96Å; F104-Y198 HydrophobicContact CD1-CD2 4.11Å; F104-Y198 HydrophobicContact CD1-CE2 4.35Å; F104-Y198 HydrophobicContact CD2-CD2 4.38Å; F104-Y198 AromaticContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CE1-CD2 4.16Å; F104-Y198 HydrophobicContact CE1-CE2 4.41Å; F104-Y198 HydrophobicContact CE2-CD2 4.42Å; F104-Y198 AromaticContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CG-CD2 4.24Å; F104-Y198 HydrophobicContact CG-CE2 4.07Å; F104-Y198 HydrophobicContact CZ-CD2 4.33Å; F104-Y198 HydrophobicContact CZ-CE2 4.2Å; Y194-Y198 WeakPolarHBondContact O-CB 3.41Å; Y194-Y198 PolarHBondContact O-N 3.3Å; T195-Y198 PolarHBondContact O-N 3.42Å; Y198-T200 VanDerWaalsContact C-N 3.31Å; Y198-T200 PolarHBondContact O-N 3.2Å; Y198-L201 PolarHBondContact O-N 3.39Å; Y198-L201 VanDerWaalsContact O-N 3.12Å; Y198-V202 HydrophobicContact CD1-CG2 4.47Å; Y198-V202 HydrophobicContact CD2-CG2 3.98Å; Y198-V202 HydrophobicContact CE1-CB 4.48Å; Y198-V202 HydrophobicContact CE1-CG2 4.1Å; Y198-V202 HydrophobicContact CE2-CG2 3.57Å; Y198-V202 HydrophobicContact CG-CG2 4.42Å; Y198-V202 WeakPolarHBondContact O-CG2 3.45Å; Y198-V202 PolarHBondContact O-N 2.98Å |
| 199 | V | 85.1 | Confident | 81.1 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 180 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | T195 M197 L201 V202 F203 L215 | T195-V199 HydrophobicContact CG2-CG2 4.2Å; T195-V199 VanDerWaalsContact O-CB 3.32Å; T195-V199 WeakPolarHBondContact O-CB 3.34Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.13Å; T195-V199 PolarHBondContact O-N 3.41Å; M197-V199 PolarHBondContact O-N 3.31Å; V199-L201 VanDerWaalsContact C-N 3.27Å; V199-L201 PolarHBondContact O-N 3.18Å; V199-V202 PolarHBondContact O-N 3.36Å; V199-F203 HydrophobicContact CB-CD2 4.17Å; V199-F203 HydrophobicContact CG1-CD2 3.76Å; V199-F203 HydrophobicContact CG1-CE2 4.38Å; V199-F203 HydrophobicContact CG2-CD2 4.32Å; V199-F203 HydrophobicContact CG2-CE2 4.24Å; V199-F203 WeakPolarHBondContact O-CB 3.49Å; V199-F203 WeakPolarHBondContact O-CD2 3.47Å; V199-F203 PolarHBondContact O-N 3.36Å; V199-L215 HydrophobicContact CG1-CD2 3.13Å; V199-L215 HydrophobicContact CG1-CG 3.79Å |
| 200 | T | 82.4 | Confident | 80.2 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 178 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | A196 M197 Y198 | A196-T200 VanDerWaalsContact O-CB 3.29Å; A196-T200 WeakPolarHBondContact O-CB 3.25Å; A196-T200 PolarHBondContact O-N 2.89Å; A196-T200 PolarHBondContact O-OG1 3.04Å; M197-T200 PolarHBondContact O-N 2.95Å; Y198-T200 VanDerWaalsContact C-N 3.31Å; Y198-T200 PolarHBondContact O-N 3.2Å |
| 201 | L | 76.9 | Confident | 79.3 | Confident | 89 Ų | 89 | 65 Ų | 65 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -79.3 | -39.5 | 178.6 | -68.1 | 171.8 | 0 | 0 | 0 | 112.5 | M197 Y198 V199 | M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.22Å; M197-L201 PolarHBondContact O-N 3.18Å; Y198-L201 PolarHBondContact O-N 3.39Å; Y198-L201 VanDerWaalsContact O-N 3.12Å; V199-L201 VanDerWaalsContact C-N 3.27Å; V199-L201 PolarHBondContact O-N 3.18Å |
| 202 | V | 75.2 | Confident | 78.4 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -83.6 | -46.4 | -174.3 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | Y198 V199 R204 | Y198-V202 HydrophobicContact CD1-CG2 4.47Å; Y198-V202 HydrophobicContact CD2-CG2 3.98Å; Y198-V202 HydrophobicContact CE1-CB 4.48Å; Y198-V202 HydrophobicContact CE1-CG2 4.1Å; Y198-V202 HydrophobicContact CE2-CG2 3.57Å; Y198-V202 HydrophobicContact CG-CG2 4.42Å; Y198-V202 WeakPolarHBondContact O-CG2 3.45Å; Y198-V202 PolarHBondContact O-N 2.98Å; V199-V202 PolarHBondContact O-N 3.36Å; V202-R204 PolarHBondContact O-N 3.31Å |
| 203 | F | 70.6 | Confident | 77.8 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 31% | 0.311 | 36% | 0.363 | S | S | . | . | trans | -86 | 83.8 | -178.8 | -63.9 | -81.3 | 0 | 0 | 0 | 110 | A67 V199 V205 | A67-F203 HydrophobicContact CB-CE1 4.25Å; V199-F203 HydrophobicContact CB-CD2 4.17Å; V199-F203 HydrophobicContact CG1-CD2 3.76Å; V199-F203 HydrophobicContact CG1-CE2 4.38Å; V199-F203 HydrophobicContact CG2-CD2 4.32Å; V199-F203 HydrophobicContact CG2-CE2 4.24Å; V199-F203 WeakPolarHBondContact O-CB 3.49Å; V199-F203 WeakPolarHBondContact O-CD2 3.47Å; V199-F203 PolarHBondContact O-N 3.36Å; F203-V205 HydrophobicContact CB-CG2 3.98Å; F203-V205 PolarHBondContact O-N 3.24Å | ||
| 204 | R | 64.2 | Low | 77.3 | Confident | 181 Ų | 181 | 74.2 Ų | 74.2 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | trans | -75 | 65.8 | 165.4 | -67.8 | -117.6 | 176.1 | 126.1 | -2.1 | 109.4 | V202 K206 | V202-R204 PolarHBondContact O-N 3.31Å; R204-K206 PolarHBondContact O-N 2.96Å | ||
| 205 | V | 59.4 | Low | 76.8 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | trans | -63.8 | 110.3 | 177.5 | -169.4 | 0 | 0 | 0 | 0 | 107.9 | F203 G207 V211 | F203-V205 HydrophobicContact CB-CG2 3.98Å; F203-V205 PolarHBondContact O-N 3.24Å; V205-G207 PolarHBondContact O-N 2.98Å; V205-V211 HydrophobicContact CB-CG1 4.49Å; V205-V211 HydrophobicContact CG1-CG1 4.49Å; V205-V211 HydrophobicContact CG2-CG1 4.3Å | ||
| 206 | K | 57.4 | Low | 76.5 | Confident | 186 Ų | 186 | 78.4 Ų | 78.4 | 81% | 0.809 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -75 | 69.2 | 168 | -74.5 | 175.4 | 175.4 | 174.7 | 0 | 107.7 | R204 | R204-K206 PolarHBondContact O-N 2.96Š|
| 207 | G | 59.9 | Low | 76.3 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 177.1 | 128.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V205 | V205-G207 PolarHBondContact O-N 2.98Š|
| 208 | S | 59.5 | Low | 76.3 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 44% | 0.441 | S | S | * | . | trans | 50.6 | 119.9 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 117.1 | L210 V211 | S208-L210 PolarHBondContact O-N 3.37Å; S208-L210 PolarHBondContact OG-N 3.12Å; S208-V211 PolarHBondContact O-N 3.22Å; S208-V211 VanDerWaalsContact O-N 3.13Å | ||
| 209 | R | 75.1 | Confident | 76.4 | Confident | 250 Ų | 250 | 85.6 Ų | 85.6 | 94% | 0.943 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.8 | 176 | -62.4 | -176.3 | -179 | -149.9 | 1.1 | 113.2 | ||
| 210 | L | 78.6 | Confident | 76.7 | Confident | 126 Ų | 126 | 88.9 Ų | 88.9 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13.7 | -177.6 | -64.5 | 173.7 | 0 | 0 | 0 | 114.8 | S208 K212 P213 S214 | S208-L210 PolarHBondContact O-N 3.37Å; S208-L210 PolarHBondContact OG-N 3.12Å; L210-K212 PolarHBondContact O-N 2.85Å; L210-P213 VanDerWaalsContact O-CD 3.26Å; L210-P213 WeakPolarHBondContact O-CD 3.25Å; L210-P213 VanDerWaalsContact O-CG 3.31Å; L210-P213 WeakPolarHBondContact O-CG 3.4Å; L210-S214 VanDerWaalsContact O-CB 3.31Å; L210-S214 WeakPolarHBondContact O-CB 3.05Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.5Å; L210-S214 VanDerWaalsContact O-OG 3.05Å |
| 211 | V | 79.3 | Confident | 77.2 | Confident | 51 Ų | 51 | 89 Ų | 89 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | -175 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | V205 S208 S214 L215 | V205-V211 HydrophobicContact CB-CG1 4.49Å; V205-V211 HydrophobicContact CG1-CG1 4.49Å; V205-V211 HydrophobicContact CG2-CG1 4.3Å; S208-V211 PolarHBondContact O-N 3.22Å; S208-V211 VanDerWaalsContact O-N 3.13Å; V211-S214 WeakPolarHBondContact CA-OG 3.22Å; V211-S214 PolarHBondContact O-OG 3.25Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 PolarHBondContact O-N 3.44Å |
| 212 | K | 76.2 | Confident | 77.9 | Confident | 104 Ų | 104 | 88 Ų | 88 | 45% | 0.452 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -55 | 177.6 | -66.9 | 179.7 | 179 | 174.6 | 0 | 112.3 | L210 S214 L215 C216 | L210-K212 PolarHBondContact O-N 2.85Å; K212-S214 VanDerWaalsContact C-N 3.33Å; K212-S214 PolarHBondContact O-N 3.14Å; K212-L215 PolarHBondContact O-N 3.18Å; K212-C216 PolarHBondContact O-N 3.28Å; K212-C216 PolarHBondContact O-SG 3.27Å; K212-C216 VanDerWaalsContact O-SG 3.37Å |
| 213 | P | 83.8 | Confident | 78.8 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 47% | 0.468 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 178.7 | 23.9 | -33.3 | 0 | 0 | 0 | 112.9 | L210 C216 L217 | L210-P213 VanDerWaalsContact O-CD 3.26Å; L210-P213 WeakPolarHBondContact O-CD 3.25Å; L210-P213 VanDerWaalsContact O-CG 3.31Å; L210-P213 WeakPolarHBondContact O-CG 3.4Å; P213-C216 PolarHBondContact O-N 3.43Å; P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.97Å |
| 214 | S | 85.7 | Confident | 80 | Confident | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.8 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | L210 V211 K212 L217 A218 | L210-S214 VanDerWaalsContact O-CB 3.31Å; L210-S214 WeakPolarHBondContact O-CB 3.05Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.5Å; L210-S214 VanDerWaalsContact O-OG 3.05Å; V211-S214 WeakPolarHBondContact CA-OG 3.22Å; V211-S214 PolarHBondContact O-OG 3.25Å; K212-S214 VanDerWaalsContact C-N 3.33Å; K212-S214 PolarHBondContact O-N 3.14Å; S214-L217 PolarHBondContact O-N 3.36Å; S214-A218 WeakPolarHBondContact O-CB 3.32Å; S214-A218 PolarHBondContact O-N 3.42Å |
| 215 | L | 83.8 | Confident | 81.5 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 177.5 | -173.8 | 51.9 | 0 | 0 | 0 | 112.1 | V199 V211 K212 L217 A218 L219 | V199-L215 HydrophobicContact CG1-CD2 3.13Å; V199-L215 HydrophobicContact CG1-CG 3.79Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 PolarHBondContact O-N 3.44Å; K212-L215 PolarHBondContact O-N 3.18Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-A218 PolarHBondContact O-N 3.45Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.21Å; L215-L219 VanDerWaalsContact O-N 3.13Å |
| 216 | C | 85.6 | Confident | 83.2 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 171 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | K212 P213 A218 L219 L220 | K212-C216 PolarHBondContact O-N 3.28Å; K212-C216 PolarHBondContact O-SG 3.27Å; K212-C216 VanDerWaalsContact O-SG 3.37Å; P213-C216 PolarHBondContact O-N 3.43Å; C216-A218 PolarHBondContact O-N 2.92Å; C216-L219 PolarHBondContact O-N 2.83Å; C216-L220 WeakPolarHBondContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CD1 3.44Å; C216-L220 VanDerWaalsContact O-CG 3.23Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 2.81Å |
| 217 | L | 87.3 | Confident | 85 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 178.5 | -176.7 | 63.8 | 0 | 0 | 0 | 111.9 | P213 S214 L215 L219 L220 C221 | P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.97Å; S214-L217 PolarHBondContact O-N 3.36Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 3.25Å; L217-C221 WeakPolarHBondContact O-CB 3.33Å; L217-C221 PolarHBondContact O-N 3.2Å |
| 218 | A | 89.1 | Confident | 86.7 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S214 L215 C216 P222 | S214-A218 WeakPolarHBondContact O-CB 3.32Å; S214-A218 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.45Å; C216-A218 PolarHBondContact O-N 2.92Å; A218-P222 WeakPolarHBondContact O-CD 3.24Å |
| 219 | L | 89.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.199 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.4 | -36.4 | 175.6 | -67.7 | 172.8 | 0 | 0 | 0 | 112.7 | V192 T195 A196 L215 C216 L217 P222 | V192-L219 HydrophobicContact CB-CB 4.5Å; V192-L219 VanDerWaalsContact CG1-O 3.23Å; V192-L219 WeakPolarHBondContact CG1-O 3.29Å; T195-L219 HydrophobicContact CG2-CD1 4.03Å; T195-L219 HydrophobicContact CG2-CD2 4.4Å; A196-L219 HydrophobicContact CB-CD1 4.08Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.21Å; L215-L219 VanDerWaalsContact O-N 3.13Å; C216-L219 PolarHBondContact O-N 2.83Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.95Å; L219-P222 WeakPolarHBondContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CG 2.95Å |
| 220 | L | 91.8 | Very high | 89.3 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.6 | -33.7 | -178.1 | -73.7 | 167 | 0 | 0 | 0 | 113.1 | V192 C216 L217 A223 F224 | V192-L220 HydrophobicContact CG2-CD2 3.82Å; C216-L220 WeakPolarHBondContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CD1 3.44Å; C216-L220 VanDerWaalsContact O-CG 3.23Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 2.81Å; L217-L220 PolarHBondContact O-N 3.25Å; L220-A223 PolarHBondContact O-N 3.33Å; L220-F224 PolarHBondContact O-N 3.29Å |
| 221 | C | 93.3 | Very high | 90.1 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.1 | -54.3 | -178.8 | -174.1 | 0 | 0 | 0 | 0 | 113.9 | L217 A223 F224 L225 | L217-C221 WeakPolarHBondContact O-CB 3.33Å; L217-C221 PolarHBondContact O-N 3.2Å; C221-A223 VanDerWaalsContact C-N 3.33Å; C221-A223 PolarHBondContact O-N 2.66Å; C221-F224 WeakPolarHBondContact O-CB 3.48Å; C221-F224 PolarHBondContact O-N 2.91Å; C221-L225 WeakPolarHBondContact O-CG 2.93Å; C221-L225 PolarHBondContact O-N 3.1Å |
| 222 | P | 91.6 | Very high | 90.8 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 179.7 | 23.7 | -34.3 | 0 | 0 | 0 | 113.2 | A218 L219 L225 V226 | A218-P222 WeakPolarHBondContact O-CD 3.24Å; L219-P222 WeakPolarHBondContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CG 2.95Å; P222-L225 PolarHBondContact O-N 3.49Å; P222-V226 WeakPolarHBondContact O-CG2 3.33Å; P222-V226 PolarHBondContact O-N 3.47Å; P222-V226 VanDerWaalsContact O-N 3.1Å |
| 223 | A | 94.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C188 V192 L220 C221 V226 G227 F245 | C188-A223 HydrophobicContact CB-CB 3.83Å; V192-A223 HydrophobicContact CB-CB 4.44Å; V192-A223 HydrophobicContact CG1-CB 3.85Å; V192-A223 HydrophobicContact CG2-CB 3.78Å; L220-A223 PolarHBondContact O-N 3.33Å; C221-A223 VanDerWaalsContact C-N 3.33Å; C221-A223 PolarHBondContact O-N 2.66Å; A223-V226 PolarHBondContact O-N 2.88Å; A223-G227 PolarHBondContact O-N 2.76Å; A223-F245 WeakPolarHBondContact O-CE1 3.33Å; A223-F245 VanDerWaalsContact O-CZ 3.29Å; A223-F245 WeakPolarHBondContact O-CZ 3.42Å |
| 224 | F | 95.2 | Very high | 92 | Very high | 129 Ų | 129 | 55 Ų | 55 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 174.8 | -177.3 | -102.4 | 0 | 0 | 0 | 111.7 | L220 C221 V226 G227 V228 F245 | L220-F224 PolarHBondContact O-N 3.29Å; C221-F224 WeakPolarHBondContact O-CB 3.48Å; C221-F224 PolarHBondContact O-N 2.91Å; F224-V226 VanDerWaalsContact C-N 3.32Å; F224-V226 PolarHBondContact O-N 3.25Å; F224-G227 WeakPolarHBondContact O-CA 3.33Å; F224-G227 PolarHBondContact O-N 3.02Å; F224-V228 HydrophobicContact CD1-CG2 3.96Å; F224-V228 HydrophobicContact CE1-CG2 3.54Å; F224-V228 HydrophobicContact CZ-CG2 3.91Å; F224-V228 PolarHBondContact O-N 2.97Å; F224-F245 HydrophobicContact CD2-CE2 4.2Å |
| 225 | L | 95.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -39 | 176.9 | -70.2 | 175.5 | 0 | 0 | 0 | 112.6 | C221 P222 G227 V228 V229 | C221-L225 WeakPolarHBondContact O-CG 2.93Å; C221-L225 PolarHBondContact O-N 3.1Å; P222-L225 PolarHBondContact O-N 3.49Å; L225-G227 VanDerWaalsContact C-N 3.29Å; L225-G227 PolarHBondContact O-N 3.01Å; L225-V228 PolarHBondContact O-N 3.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.28Å; L225-V229 PolarHBondContact O-N 3.03Å |
| 226 | V | 95.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.1 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | I49 D184 P222 A223 F224 V229 R230 | I49-V226 HydrophobicContact CD1-CG1 4.04Å; I49-V226 HydrophobicContact CG1-CG1 4.33Å; D184-V226 HydrophobicContact CB-CG1 4.36Å; P222-V226 WeakPolarHBondContact O-CG2 3.33Å; P222-V226 PolarHBondContact O-N 3.47Å; P222-V226 VanDerWaalsContact O-N 3.1Å; A223-V226 PolarHBondContact O-N 2.88Å; F224-V226 VanDerWaalsContact C-N 3.32Å; F224-V226 PolarHBondContact O-N 3.25Å; V226-V229 PolarHBondContact O-N 3.27Å; V226-R230 WeakPolarHBondContact O-CG 3.26Å; V226-R230 PolarHBondContact O-N 2.92Å |
| 227 | G | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A223 F224 L225 V229 R230 V231 | A223-G227 PolarHBondContact O-N 2.76Å; F224-G227 WeakPolarHBondContact O-CA 3.33Å; F224-G227 PolarHBondContact O-N 3.02Å; L225-G227 VanDerWaalsContact C-N 3.29Å; L225-G227 PolarHBondContact O-N 3.01Å; G227-V229 VanDerWaalsContact C-N 3.35Å; G227-V229 PolarHBondContact O-N 3.35Å; G227-R230 PolarHBondContact O-N 2.96Å; G227-V231 PolarHBondContact O-N 3.21Å; G227-V231 VanDerWaalsContact O-N 3.16Å |
| 228 | V | 95.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | F224 L225 R230 V231 A232 | F224-V228 HydrophobicContact CD1-CG2 3.96Å; F224-V228 HydrophobicContact CE1-CG2 3.54Å; F224-V228 HydrophobicContact CZ-CG2 3.91Å; F224-V228 PolarHBondContact O-N 2.97Å; L225-V228 PolarHBondContact O-N 3.32Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; V228-V231 PolarHBondContact O-N 3.45Å; V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.02Å |
| 229 | V | 95.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | R43 A44 L225 V226 G227 V231 A232 E233 | R43-V229 HydrophobicContact CB-CG1 3.98Å; A44-V229 HydrophobicContact CB-CB 4.41Å; A44-V229 HydrophobicContact CB-CG1 3.83Å; L225-V229 WeakPolarHBondContact O-CG2 3.28Å; L225-V229 PolarHBondContact O-N 3.03Å; V226-V229 PolarHBondContact O-N 3.27Å; G227-V229 VanDerWaalsContact C-N 3.35Å; G227-V229 PolarHBondContact O-N 3.35Å; V229-V231 VanDerWaalsContact C-N 3.33Å; V229-V231 PolarHBondContact O-N 2.88Å; V229-A232 PolarHBondContact O-N 2.84Å; V229-E233 HydrophobicContact CG1-CG 4.21Å; V229-E233 WeakPolarHBondContact O-CB 3.47Å; V229-E233 WeakPolarHBondContact O-CG 3.12Å; V229-E233 PolarHBondContact O-N 3.21Å |
| 230 | R | 94.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 178.1 | -71.8 | -72.5 | 179.2 | -113.8 | 2.9 | 113 | S42 A44 I49 D184 V226 G227 V228 E233 R235 N236 V241 | S42-R230 PolarHBondContact OG-NH1 3.26Å; A44-R230 PolarHBondContact O-NH1 2.9Å; A44-R230 VanDerWaalsContact O-NH1 3.12Å; A44-R230 PolarHBondContact O-NH2 3.16Å; I49-R230 VanDerWaalsContact CD1-NH2 3.25Å; D184-R230 IonicContact OD2-CZ 3.67Å; D184-R230 IonicContact OD2-NE 3.82Å; D184-R230 PolarHBondContact OD2-NE 2.91Å; D184-R230 IonicContact OD2-NH2 2.75Å; D184-R230 PolarHBondContact OD2-NH2 3.42Å; V226-R230 WeakPolarHBondContact O-CG 3.26Å; V226-R230 PolarHBondContact O-N 2.92Å; G227-R230 PolarHBondContact O-N 2.96Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; R230-E233 IonicContact NH1-OE2 3.72Å; R230-R235 PolarHBondContact O-N 3.42Å; R230-N236 PolarHBondContact O-N 2.04Å; R230-V241 HydrophobicContact CB-CG2 4.23Å |
| 231 | V | 94.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.8 | -44.9 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | G227 V228 V229 E233 Y234 W238 V241 | G227-V231 PolarHBondContact O-N 3.21Å; G227-V231 VanDerWaalsContact O-N 3.16Å; V228-V231 PolarHBondContact O-N 3.45Å; V229-V231 VanDerWaalsContact C-N 3.33Å; V229-V231 PolarHBondContact O-N 2.88Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.41Å; V231-Y234 PolarHBondContact O-N 3.47Å; V231-W238 HydrophobicContact CG2-CB 4.3Å; V231-V241 HydrophobicContact CG2-CB 4.44Å; V231-V241 HydrophobicContact CG2-CG2 3.84Å |
| 232 | A | 93.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.6 | -30.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V228 V229 Y234 | V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.02Å; V229-A232 PolarHBondContact O-N 2.84Å; A232-Y234 VanDerWaalsContact C-N 3.29Å |
| 233 | E | 92.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 10.8 | 174.8 | -65 | 179.8 | 149.4 | 0 | 0 | 113.1 | P36 S42 R43 V229 R230 V231 R235 | P36-E233 WeakPolarHBondContact CB-O 3.2Å; P36-E233 WeakPolarHBondContact CG-O 3.47Å; S42-E233 WeakPolarHBondContact CA-OE1 3.35Å; S42-E233 PolarHBondContact OG-OE1 3.1Å; S42-E233 PolarHBondContact OG-OE2 2.68Å; R43-E233 PolarHBondContact N-OE1 3.33Å; V229-E233 HydrophobicContact CG1-CG 4.21Å; V229-E233 WeakPolarHBondContact O-CB 3.47Å; V229-E233 WeakPolarHBondContact O-CG 3.12Å; V229-E233 PolarHBondContact O-N 3.21Å; R230-E233 IonicContact NH1-OE2 3.72Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.41Å; E233-R235 HydrophobicContact CB-CG 4.24Å; E233-R235 PolarHBondContact O-N 2.94Å; E233-R235 IonicContact OE1-NH1 3.56Å; E233-R235 IonicContact OE2-CZ 3.91Å; E233-R235 IonicContact OE2-NH1 3.03Å; E233-R235 PolarHBondContact OE2-NH1 3.2Å |
| 234 | Y | 92.3 | Very high | 94.9 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 38% | 0.376 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 24.4 | 179.6 | -50.6 | -61.7 | 0 | 0 | 0 | 114.1 | K33 P34 P131 H132 V231 A232 | K33-Y234 HydrophobicContact CB-CD1 4.16Å; K33-Y234 HydrophobicContact CB-CD2 4.11Å; K33-Y234 HydrophobicContact CB-CG 3.8Å; K33-Y234 HydrophobicContact CD-CD1 4.2Å; K33-Y234 HydrophobicContact CD-CE1 4.16Å; K33-Y234 HydrophobicContact CG-CD1 3.86Å; K33-Y234 HydrophobicContact CG-CE1 4.33Å; K33-Y234 HydrophobicContact CG-CG 4.03Å; P34-Y234 HydrophobicContact CG-CD2 4.44Å; P34-Y234 HydrophobicContact CG-CE2 4.36Å; P131-Y234 WeakPolarHBondContact CD-O 3.47Å; H132-Y234 PolarHBondContact ND1-O 3.2Å; V231-Y234 PolarHBondContact O-N 3.47Å; A232-Y234 VanDerWaalsContact C-N 3.29Å |
| 235 | R | 91.8 | Very high | 95 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -82.7 | -28.6 | -179.3 | -73.4 | -169.4 | 164.1 | 89.8 | 6.8 | 112.3 | P36 G37 P38 S42 T130 R230 E233 | P36-R235 HydrophobicContact CG-CG 4.02Å; P36-R235 PolarHBondContact O-NH2 3.04Å; G37-R235 PolarHBondContact O-NH2 3.44Å; P38-R235 PolarHBondContact O-NH2 3.29Å; S42-R235 PolarHBondContact OG-NH1 3.02Å; T130-R235 VanDerWaalsContact CG2-O 3.25Å; T130-R235 WeakPolarHBondContact CG2-O 3.39Å; R230-R235 PolarHBondContact O-N 3.42Å; E233-R235 HydrophobicContact CB-CG 4.24Å; E233-R235 PolarHBondContact O-N 2.94Å; E233-R235 IonicContact OE1-NH1 3.56Å; E233-R235 IonicContact OE2-CZ 3.91Å; E233-R235 IonicContact OE2-NH1 3.03Å; E233-R235 PolarHBondContact OE2-NH1 3.2Å |
| 236 | N | 94.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -143.3 | 154.7 | 178.6 | -63 | 97.5 | 0 | 0 | 0 | 110.4 | A179 C182 R230 D240 V241 | A179-N236 PolarHBondContact O-ND2 3.24Å; C182-N236 HydrophobicContact CB-CB 4.45Å; R230-N236 PolarHBondContact O-N 2.04Å; N236-D240 HydrophobicContact CB-CB 4.19Å; N236-V241 HydrophobicContact CB-CG2 3.96Å |
| 237 | H | 93.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | trans | -71.8 | 157.9 | 165.6 | -57.2 | 92.1 | 0 | 0 | 0 | 110.3 | Y31 P129 S239 D240 V241 | Y31-H237 AromaticContact CE1-CE1 3.8Å; Y31-H237 AromaticContact CE1-NE2 3.79Å; P129-H237 PolarHBondContact O-CE1 3.11Å; P129-H237 VanDerWaalsContact O-CE1 3.27Å; H237-S239 PolarHBondContact O-N 2.88Å; H237-D240 WeakPolarHBondContact CB-OD2 3.38Å; H237-D240 IonicContact CG-OD2 3.64Å; H237-D240 PolarHBondContact N-OD2 3.34Å; H237-D240 IonicContact ND1-OD2 2.63Å; H237-D240 PolarHBondContact ND1-OD2 3.47Å; H237-D240 WeakPolarHBondContact O-CB 3.34Å; H237-D240 PolarHBondContact O-N 3.18Å; H237-V241 PolarHBondContact O-N 3.07Å | ||
| 238 | W | 94.9 | Very high | 95.3 | Very high | 183 Ų | 183 | 44.7 Ų | 44.7 | 69% | 0.693 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.6 | -33.8 | 175.9 | 68.5 | -92.1 | 0 | 0 | 0 | 112.1 | V231 V241 L242 | V231-W238 HydrophobicContact CG2-CB 4.3Å; W238-V241 PolarHBondContact O-N 3.48Å; W238-L242 HydrophobicContact CZ3-CD2 4.19Å; W238-L242 PolarHBondContact O-N 2.84Å |
| 239 | S | 95.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -40.8 | 175.7 | 50 | 0 | 0 | 0 | 0 | 112 | H237 V241 L242 A243 | H237-S239 PolarHBondContact O-N 2.88Å; S239-V241 VanDerWaalsContact C-N 3.3Å; S239-V241 PolarHBondContact O-N 3.18Å; S239-L242 PolarHBondContact O-N 3.15Å; S239-A243 WeakPolarHBondContact O-CB 3.31Å; S239-A243 PolarHBondContact O-N 3.32Å |
| 240 | D | 95.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.3 | -53.5 | -30.5 | 0 | 0 | 0 | 111.3 | A179 F180 C182 N236 H237 G244 | A179-D240 WeakPolarHBondContact O-CB 3.06Å; F180-D240 HydrophobicContact CD2-CB 4.39Å; F180-D240 WeakPolarHBondContact CD2-OD1 3.42Å; C182-D240 WeakPolarHBondContact CB-O 3.41Å; C182-D240 PolarHBondContact N-O 3.18Å; N236-D240 HydrophobicContact CB-CB 4.19Å; H237-D240 WeakPolarHBondContact CB-OD2 3.38Å; H237-D240 IonicContact CG-OD2 3.64Å; H237-D240 PolarHBondContact N-OD2 3.34Å; H237-D240 IonicContact ND1-OD2 2.63Å; H237-D240 PolarHBondContact ND1-OD2 3.47Å; H237-D240 WeakPolarHBondContact O-CB 3.34Å; H237-D240 PolarHBondContact O-N 3.18Å; D240-G244 PolarHBondContact O-N 3.3Å |
| 241 | V | 97 | Very high | 95.5 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68 | -45.5 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | C182 A185 R230 V231 N236 H237 W238 S239 A243 G244 F245 | C182-V241 HydrophobicContact CB-CB 4.48Å; C182-V241 HydrophobicContact CB-CG2 4.01Å; A185-V241 HydrophobicContact CB-CG1 4.01Å; R230-V241 HydrophobicContact CB-CG2 4.23Å; V231-V241 HydrophobicContact CG2-CB 4.44Å; V231-V241 HydrophobicContact CG2-CG2 3.84Å; N236-V241 HydrophobicContact CB-CG2 3.96Å; H237-V241 PolarHBondContact O-N 3.07Å; W238-V241 PolarHBondContact O-N 3.48Å; S239-V241 VanDerWaalsContact C-N 3.3Å; S239-V241 PolarHBondContact O-N 3.18Å; V241-A243 PolarHBondContact O-N 3.12Å; V241-G244 PolarHBondContact O-N 3.24Å; V241-F245 HydrophobicContact CG1-CD2 4.02Å; V241-F245 HydrophobicContact CG1-CE2 3.57Å; V241-F245 HydrophobicContact CG1-CZ 3.95Å; V241-F245 PolarHBondContact O-N 2.04Å |
| 242 | L | 96.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 45% | 0.445 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.4 | -179.8 | 61 | 0 | 0 | 0 | 111.6 | W238 S239 G244 F245 L246 | W238-L242 HydrophobicContact CZ3-CD2 4.19Å; W238-L242 PolarHBondContact O-N 2.84Å; S239-L242 PolarHBondContact O-N 3.15Å; L242-G244 VanDerWaalsContact C-N 3.29Å; L242-G244 PolarHBondContact O-N 3.39Å; L242-F245 PolarHBondContact O-N 3.36Å; L242-L246 HydrophobicContact CD1-CD1 4.35Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.38Å |
| 243 | A | 96.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F180 P181 S239 V241 T247 | F180-A243 HydrophobicContact CD2-CB 4.33Å; F180-A243 HydrophobicContact CE2-CB 3.47Å; F180-A243 VanDerWaalsContact CE2-CB 3.47Å; F180-A243 HydrophobicContact CZ-CB 3.93Å; P181-A243 HydrophobicContact CB-CB 4.39Å; S239-A243 WeakPolarHBondContact O-CB 3.31Å; S239-A243 PolarHBondContact O-N 3.32Å; V241-A243 PolarHBondContact O-N 3.12Å; A243-T247 WeakPolarHBondContact O-CB 3.36Å; A243-T247 PolarHBondContact O-N 2.65Å; A243-T247 PolarHBondContact O-OG1 2.78Å |
| 244 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58 | -53.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A186 D240 V241 L242 L246 T247 G248 | A186-G244 WeakPolarHBondContact CA-O 3.09Å; A186-G244 WeakPolarHBondContact CB-O 3.2Å; D240-G244 PolarHBondContact O-N 3.3Å; V241-G244 PolarHBondContact O-N 3.24Å; L242-G244 VanDerWaalsContact C-N 3.29Å; L242-G244 PolarHBondContact O-N 3.39Å; G244-L246 PolarHBondContact O-N 3.01Å; G244-T247 PolarHBondContact O-N 3.23Å; G244-G248 PolarHBondContact O-N 2.63Å |
| 245 | F | 97.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 178.7 | -71.3 | -32.1 | 0 | 0 | 0 | 113 | A185 A189 A223 F224 V241 L242 T247 G248 A249 | A185-F245 HydrophobicContact CB-CD1 3.75Å; A185-F245 HydrophobicContact CB-CE1 3.67Å; A185-F245 HydrophobicContact CB-CG 4.41Å; A185-F245 HydrophobicContact CB-CZ 4.26Å; A185-F245 VanDerWaalsContact O-CD1 3.3Å; A185-F245 WeakPolarHBondContact O-CD1 3.08Å; A189-F245 HydrophobicContact CB-CB 4.31Å; A189-F245 HydrophobicContact CB-CD1 3.8Å; A189-F245 WeakPolarHBondContact CB-O 3.46Å; A223-F245 WeakPolarHBondContact O-CE1 3.33Å; A223-F245 VanDerWaalsContact O-CZ 3.29Å; A223-F245 WeakPolarHBondContact O-CZ 3.42Å; F224-F245 HydrophobicContact CD2-CE2 4.2Å; V241-F245 HydrophobicContact CG1-CD2 4.02Å; V241-F245 HydrophobicContact CG1-CE2 3.57Å; V241-F245 HydrophobicContact CG1-CZ 3.95Å; V241-F245 PolarHBondContact O-N 2.04Å; L242-F245 PolarHBondContact O-N 3.36Å; F245-T247 PolarHBondContact O-N 2.99Å; F245-G248 PolarHBondContact O-N 3.44Å; F245-A249 VanDerWaalsContact O-CB 3.26Å; F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 2.94Å |
| 246 | L | 97.4 | Very high | 95.3 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 58% | 0.576 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.9 | -44.2 | 177.8 | -70.3 | 173.3 | 0 | 0 | 0 | 111.6 | L242 G244 A250 | L242-L246 HydrophobicContact CD1-CD1 4.35Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.38Å; G244-L246 PolarHBondContact O-N 3.01Å; L246-A250 WeakPolarHBondContact O-CB 3.13Å; L246-A250 PolarHBondContact O-N 3.07Å |
| 247 | T | 96.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | A243 G244 F245 A250 I251 | A243-T247 WeakPolarHBondContact O-CB 3.36Å; A243-T247 PolarHBondContact O-N 2.65Å; A243-T247 PolarHBondContact O-OG1 2.78Å; G244-T247 PolarHBondContact O-N 3.23Å; F245-T247 PolarHBondContact O-N 2.99Å; T247-A250 PolarHBondContact O-N 2.58Å; T247-I251 HydrophobicContact CG2-CD1 3.94Å; T247-I251 VanDerWaalsContact O-CG1 3.29Å; T247-I251 WeakPolarHBondContact O-CG1 3.1Å; T247-I251 PolarHBondContact O-N 3.31Å |
| 248 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A186 G244 F245 I251 A252 | A186-G248 WeakPolarHBondContact O-CA 3.23Å; G244-G248 PolarHBondContact O-N 2.63Å; F245-G248 PolarHBondContact O-N 3.44Å; G248-I251 PolarHBondContact O-N 2.82Å; G248-A252 WeakPolarHBondContact O-CB 3.27Å; G248-A252 PolarHBondContact O-N 3.16Å |
| 249 | A | 96.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 40 Ų | 40 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F245 A252 T253 | F245-A249 VanDerWaalsContact O-CB 3.26Å; F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 3.11Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.34Å; A249-T253 PolarHBondContact O-N 3.2Å; A249-T253 PolarHBondContact O-OG1 3.34Å |
| 250 | A | 96.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 49% | 0.488 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L246 T247 T253 F254 | L246-A250 WeakPolarHBondContact O-CB 3.13Å; L246-A250 PolarHBondContact O-N 3.07Å; T247-A250 PolarHBondContact O-N 2.58Å; A250-T253 PolarHBondContact O-N 3.49Å; A250-F254 VanDerWaalsContact O-CB 3.31Å; A250-F254 WeakPolarHBondContact O-CB 3.19Å; A250-F254 PolarHBondContact O-N 3.01Å |
| 251 | I | 96.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.2 | -65.8 | 167.6 | 0 | 0 | 0 | 110.7 | T114 T115 F118 Y190 T247 G248 T253 F254 L255 | T114-I251 HydrophobicContact CG2-CG2 4.4Å; T115-I251 HydrophobicContact CG2-CD1 4.37Å; F118-I251 HydrophobicContact CB-CD1 4.44Å; F118-I251 HydrophobicContact CD2-CD1 4.02Å; F118-I251 HydrophobicContact CG-CD1 4.45Å; Y190-I251 HydrophobicContact CD2-CB 4.35Å; Y190-I251 HydrophobicContact CD2-CG2 4.04Å; Y190-I251 HydrophobicContact CE2-CG2 4.01Å; T247-I251 HydrophobicContact CG2-CD1 3.94Å; T247-I251 VanDerWaalsContact O-CG1 3.29Å; T247-I251 WeakPolarHBondContact O-CG1 3.1Å; T247-I251 PolarHBondContact O-N 3.31Å; G248-I251 PolarHBondContact O-N 2.82Å; I251-T253 PolarHBondContact O-N 3.07Å; I251-F254 PolarHBondContact O-N 3.11Å; I251-L255 HydrophobicContact CG2-CD1 3.88Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.29Å |
| 252 | A | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y190 T193 G248 A249 F254 L255 V256 | Y190-A252 HydrophobicContact CD2-CB 3.65Å; Y190-A252 HydrophobicContact CE2-CB 3.93Å; T193-A252 HydrophobicContact CG2-CB 3.74Å; G248-A252 WeakPolarHBondContact O-CB 3.27Å; G248-A252 PolarHBondContact O-N 3.16Å; A249-A252 PolarHBondContact O-N 3.11Å; A252-F254 PolarHBondContact O-N 3.33Å; A252-L255 PolarHBondContact O-N 3.12Å; A252-V256 WeakPolarHBondContact O-CG2 3.49Å; A252-V256 PolarHBondContact O-N 2.96Å |
| 253 | T | 93.6 | Very high | 87.7 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | M197 A249 A250 I251 V256 T257 | M197-T253 HydrophobicContact CE-CG2 4.01Å; M197-T253 WeakPolarHBondContact CE-OG1 3.32Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.34Å; A249-T253 PolarHBondContact O-N 3.2Å; A249-T253 PolarHBondContact O-OG1 3.34Å; A250-T253 PolarHBondContact O-N 3.49Å; I251-T253 PolarHBondContact O-N 3.07Å; T253-V256 PolarHBondContact O-N 2.65Å; T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CB 3.41Å; T253-T257 WeakPolarHBondContact O-CG2 3.17Å; T253-T257 PolarHBondContact O-N 3.22Å; T253-T257 PolarHBondContact O-OG1 3.29Å |
| 254 | F | 93.6 | Very high | 85.8 | Confident | 127 Ų | 127 | 54 Ų | 54 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 176.9 | 174.4 | -101.3 | 0 | 0 | 0 | 111.5 | A250 I251 A252 C258 | A250-F254 VanDerWaalsContact O-CB 3.31Å; A250-F254 WeakPolarHBondContact O-CB 3.19Å; A250-F254 PolarHBondContact O-N 3.01Å; I251-F254 PolarHBondContact O-N 3.11Å; A252-F254 PolarHBondContact O-N 3.33Å; F254-C258 HydrophobicContact CD2-CB 4.17Å; F254-C258 VanDerWaalsContact CD2-SG 3.54Å; F254-C258 HydrophobicContact CE2-CB 3.97Å; F254-C258 VanDerWaalsContact CE2-SG 3.56Å; F254-C258 HydrophobicContact CZ-CB 4.26Å; F254-C258 WeakPolarHBondContact O-CA 3.43Å; F254-C258 WeakPolarHBondContact O-CB 3.4Å; F254-C258 PolarHBondContact O-N 2.92Å |
| 255 | L | 91.6 | Very high | 83.2 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -68.4 | -41 | -179.6 | -68.8 | 173.6 | 0 | 0 | 0 | 112.3 | V107 F110 Y190 I251 A252 V259 V260 | V107-L255 HydrophobicContact CG1-CB 4.31Å; F110-L255 HydrophobicContact CD1-CD1 4.36Å; F110-L255 HydrophobicContact CD1-CD2 3.94Å; F110-L255 HydrophobicContact CE1-CD2 3.82Å; Y190-L255 HydrophobicContact CE2-CD1 4.11Å; I251-L255 HydrophobicContact CG2-CD1 3.88Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.29Å; A252-L255 PolarHBondContact O-N 3.12Å; L255-V259 HydrophobicContact CD2-CG2 3.81Å; L255-V259 WeakPolarHBondContact O-CA 3.06Å; L255-V259 WeakPolarHBondContact O-CB 3.26Å; L255-V259 PolarHBondContact O-N 3.31Å; L255-V260 PolarHBondContact O-N 3.39Å; L255-V260 VanDerWaalsContact O-N 3.15Å |
| 256 | V | 87.6 | Confident | 80.2 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -68.1 | -45.2 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | Y194 M197 A252 T253 V260 H261 | Y194-V256 HydrophobicContact CD2-CG2 3.53Å; Y194-V256 HydrophobicContact CE2-CG2 3.72Å; Y194-V256 HydrophobicContact CG-CG2 4.46Å; M197-V256 HydrophobicContact CB-CG1 4.13Å; M197-V256 HydrophobicContact CB-CG2 4.38Å; M197-V256 HydrophobicContact SD-CB 3.69Å; M197-V256 HydrophobicContact SD-CG1 3.8Å; M197-V256 HydrophobicContact SD-CG2 3.86Å; A252-V256 WeakPolarHBondContact O-CG2 3.49Å; A252-V256 PolarHBondContact O-N 2.96Å; T253-V256 PolarHBondContact O-N 2.65Å; V256-V260 VanDerWaalsContact O-CB 3.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 PolarHBondContact O-N 3.46Å; V256-H261 PolarHBondContact O-N 3.34Å; V256-H261 VanDerWaalsContact O-N 3.13Å |
| 257 | T | 85.2 | Confident | 77.6 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -74.9 | -48.4 | -178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | T253 H261 | T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CB 3.41Å; T253-T257 WeakPolarHBondContact O-CG2 3.17Å; T253-T257 PolarHBondContact O-N 3.22Å; T253-T257 PolarHBondContact O-OG1 3.29Å; T257-H261 WeakPolarHBondContact O-CB 3.37Å |
| 258 | C | 82.9 | Confident | 74.8 | Confident | 51 Ų | 51 | 72 Ų | 72 | 35% | 0.345 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -83 | -31 | -175.5 | -59 | 0 | 0 | 0 | 0 | 113.7 | F254 N262 | F254-C258 HydrophobicContact CD2-CB 4.17Å; F254-C258 VanDerWaalsContact CD2-SG 3.54Å; F254-C258 HydrophobicContact CE2-CB 3.97Å; F254-C258 VanDerWaalsContact CE2-SG 3.56Å; F254-C258 HydrophobicContact CZ-CB 4.26Å; F254-C258 WeakPolarHBondContact O-CA 3.43Å; F254-C258 WeakPolarHBondContact O-CB 3.4Å; F254-C258 PolarHBondContact O-N 2.92Å; C258-N262 VanDerWaalsContact O-CB 3.3Å; C258-N262 WeakPolarHBondContact O-CB 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å |
| 259 | V | 79.7 | Confident | 72.3 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 26% | 0.255 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -95.7 | -56.7 | -179.9 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | V107 L255 F263 | V107-V259 HydrophobicContact CG2-CG1 4.04Å; L255-V259 HydrophobicContact CD2-CG2 3.81Å; L255-V259 WeakPolarHBondContact O-CA 3.06Å; L255-V259 WeakPolarHBondContact O-CB 3.26Å; L255-V259 PolarHBondContact O-N 3.31Å; V259-F263 HydrophobicContact CG1-CD2 4.11Å; V259-F263 HydrophobicContact CG1-CE2 3.68Å; V259-F263 WeakPolarHBondContact O-CD2 3.25Å; V259-F263 PolarHBondContact O-N 3.15Å |
| 260 | V | 72.6 | Confident | 69.8 | Low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | I | π-helix | trans | -70.7 | -40.4 | -171.3 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | R103 F104 V107 L255 V256 | R103-V260 PolarHBondContact NH2-O 2.96Å; F104-V260 HydrophobicContact CE1-CG1 3.89Å; V107-V260 HydrophobicContact CG1-CG2 4.08Å; L255-V260 PolarHBondContact O-N 3.39Å; L255-V260 VanDerWaalsContact O-N 3.15Å; V256-V260 VanDerWaalsContact O-CB 3.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 PolarHBondContact O-N 3.46Å |
| 261 | H | 69.1 | Low | 66.7 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | I | π-helix | trans | -75.6 | -36.8 | 180 | -163.1 | -89.2 | 0 | 0 | 0 | 113 | V256 T257 F263 Q264 S265 | V256-H261 PolarHBondContact O-N 3.34Å; V256-H261 VanDerWaalsContact O-N 3.13Å; T257-H261 WeakPolarHBondContact O-CB 3.37Å; H261-F263 VanDerWaalsContact C-N 3.26Å; H261-F263 PolarHBondContact O-N 2.99Å; H261-Q264 CarbonylContact O-C 3.56Å; H261-Q264 WeakPolarHBondContact O-CA 3.38Å; H261-Q264 WeakPolarHBondContact O-CB 3.4Å; H261-Q264 PolarHBondContact O-N 2.91Å; H261-S265 PolarHBondContact CE1-OG 3.22Å; H261-S265 VanDerWaalsContact CE1-OG 3.23Å; H261-S265 PolarHBondContact ND1-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.45Å; H261-S265 PolarHBondContact O-OG 3.38Å; H261-S265 VanDerWaalsContact O-OG 3.12Å |
| 262 | N | 62.5 | Low | 63.9 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.2 | 176.4 | -91 | -66 | 0 | 0 | 0 | 112.9 | C258 Q264 S265 | C258-N262 VanDerWaalsContact O-CB 3.3Å; C258-N262 WeakPolarHBondContact O-CB 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å; N262-Q264 PolarHBondContact O-N 3.4Å; N262-S265 PolarHBondContact O-N 3.14Å |
| 263 | F | 56 | Low | 61.2 | Low | 139 Ų | 139 | 104.9 Ų | 104.9 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.5 | 172.2 | -75.5 | -60.6 | 0 | 0 | 0 | 113.7 | R103 V259 H261 | R103-F263 VanDerWaalsContact CZ-CB 3.44Å; V259-F263 HydrophobicContact CG1-CD2 4.11Å; V259-F263 HydrophobicContact CG1-CE2 3.68Å; V259-F263 WeakPolarHBondContact O-CD2 3.25Å; V259-F263 PolarHBondContact O-N 3.15Å; H261-F263 VanDerWaalsContact C-N 3.26Å; H261-F263 PolarHBondContact O-N 2.99Å |
| 264 | Q | 57.1 | Low | 58.3 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -29.3 | 172 | -64.3 | 176.7 | 40.4 | 0 | 0 | 111.8 | H261 N262 R266 | H261-Q264 CarbonylContact O-C 3.56Å; H261-Q264 WeakPolarHBondContact O-CA 3.38Å; H261-Q264 WeakPolarHBondContact O-CB 3.4Å; H261-Q264 PolarHBondContact O-N 2.91Å; N262-Q264 PolarHBondContact O-N 3.4Å; Q264-R266 PolarHBondContact O-N 2.92Å |
| 265 | S | 40.9 | Very low | 55.4 | Low | 61 Ų | 61 | 106.5 Ų | 106.5 | 43% | 0.427 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -85.8 | 13.3 | -175.8 | -53.5 | 0 | 0 | 0 | 0 | 115.9 | H261 N262 P267 | H261-S265 PolarHBondContact CE1-OG 3.22Å; H261-S265 VanDerWaalsContact CE1-OG 3.23Å; H261-S265 PolarHBondContact ND1-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.45Å; H261-S265 PolarHBondContact O-OG 3.38Å; H261-S265 VanDerWaalsContact O-OG 3.12Å; N262-S265 PolarHBondContact O-N 3.14Å; S265-P267 WeakPolarHBondContact O-CD 3.35Å |
| 266 | R | 35.5 | Very low | 52.8 | Low | 225 Ų | 225 | 116.6 Ų | 116.6 | 85% | 0.849 | 59% | 0.594 | S | S | * | * | trans | -99.6 | 77.3 | 164.3 | -81 | -175 | 170.2 | 179.5 | -2.3 | 110.7 | Q264 | Q264-R266 PolarHBondContact O-N 2.92Š| ||
| 267 | P | 42.6 | Very low | 50.4 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | trans | -64.2 | 140 | 151.8 | 26.3 | -22.6 | 0 | 0 | 0 | 107.5 | S265 S269 | S265-P267 WeakPolarHBondContact O-CD 3.35Å; P267-S269 VanDerWaalsContact C-N 3.33Å; P267-S269 PolarHBondContact O-N 3.2Å | ||
| 268 | H | 37.9 | Very low | 47.8 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 85% | 0.847 | 65% | 0.651 | S | S | * | * | trans | -56.6 | 98.4 | 170.5 | -85 | 51.4 | 0 | 0 | 0 | 108.9 | G270 | H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 2.9Å | ||
| 269 | S | 44.2 | Very low | 45.7 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -68.4 | 96.6 | 160.4 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | P267 | P267-S269 VanDerWaalsContact C-N 3.33Å; P267-S269 PolarHBondContact O-N 3.2Å | ||
| 270 | G | 44.4 | Very low | 43.4 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -172.8 | 38.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H268 | H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 2.9Å | ||
| 271 | R | 32.4 | Very low | 41.5 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -167.9 | 85.8 | 143.9 | -151.1 | 161.8 | 169.4 | 171.2 | -6.2 | 110.2 | L273 | R271-L273 HydrophobicContact CG-CD1 4.13Å; R271-L273 PolarHBondContact O-N 3.03Å | ||
| 272 | R | 37.7 | Very low | 39.6 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -84.8 | 101.6 | 162 | -165.8 | -163.6 | -65.1 | -121 | 5.6 | 106.3 | ||||
| 273 | L | 38.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 147 Ų | 147 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | -119.9 | 137.4 | 158.1 | -93.7 | 143.4 | 0 | 0 | 0 | 106.6 | R271 | R271-L273 HydrophobicContact CG-CD1 4.13Å; R271-L273 PolarHBondContact O-N 3.03Å | ||
| 274 | S | 32.5 | Very low | 37.1 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 147.2 | -149.3 | 41.7 | 0 | 0 | 0 | 0 | 116.2 | W276 | S274-W276 PolarHBondContact O-N 3.38Š| ||
| 275 | P | 33.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -89 | 92.2 | 164.6 | 10.3 | 7.3 | 0 | 0 | 0 | 110.6 | ||
| 276 | W | 35.8 | Very low | 35 | Very low | 218 Ų | 218 | 153.7 Ų | 153.7 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -165.5 | 55.7 | 162 | -86.9 | 107.8 | 0 | 0 | 0 | 110.7 | S274 L279 | S274-W276 PolarHBondContact O-N 3.38Å; W276-L279 HydrophobicContact CZ3-CD1 3.91Å | ||
| 277 | E | 37.3 | Very low | 34.7 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -147.3 | 66.8 | 165.4 | -70.9 | -173.3 | 127.3 | 0 | 0 | 108.1 | ||||
| 278 | D | 30.8 | Very low | 34.7 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -162.7 | 39.3 | 168.6 | -105.3 | -17.3 | 0 | 0 | 0 | 112.5 | ||||
| 279 | L | 38.4 | Very low | 34.2 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -119.8 | 63.3 | 170.5 | -101 | 156.7 | 0 | 0 | 0 | 109.1 | W276 | W276-L279 HydrophobicContact CZ3-CD1 3.91Š| ||
| 280 | S | 31.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -161.3 | 67.3 | 165 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 281 | Q | 33.6 | Very low | 32.6 | Very low | 192 Ų | 192 | 154 Ų | 154 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -140.9 | 101.9 | 160.9 | -121.4 | 168.2 | -3.4 | 0 | 0 | 109.5 | ||||
| 282 | A | 29.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -102.5 | 139.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 283 | P | 37.2 | Very low | 31.6 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -97.5 | 146.9 | -172.8 | 36.6 | -30.5 | 0 | 0 | 0 | 111.7 | ||||
| 284 | T | 27.1 | Very low | 31 | Very low | 157 Ų | 157 | 144 Ų | 144 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -166.3 | 152 | 145.6 | 17.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 285 | M | 26.5 | Very low | 30.6 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -91.2 | 159.3 | -161.6 | -132.1 | -171 | 158.1 | 0 | 0 | 114.5 | ||||
| 286 | D | 28.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | 69.1 | 117.3 | 142.5 | -69.6 | -12.8 | 0 | 0 | 0 | 125.2 | ||||
| 287 | S | 28.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 102.5 | 138.7 | 125.2 | -137.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 288 | P | 43.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -109.2 | 138.4 | -169.8 | 38 | -24.2 | 0 | 0 | 0 | 113.2 | ||||
| 289 | L | 27 | Very low | 29 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -173.1 | 144 | 146.8 | -139.3 | 75.4 | 0 | 0 | 0 | 112.6 | ||||
| 290 | E | 27.5 | Very low | 28.1 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 73.6 | 128.5 | 162.5 | -59.5 | -159.5 | 129.1 | 0 | 0 | 116.9 | ||||
| 291 | K | 27 | Very low | 27.6 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -160.9 | 151.3 | 45.4 | -129.5 | 150.6 | -169.4 | 174.1 | 0 | 112.3 | ||||
| 292 | L | 25.5 | Very low | 27.1 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 167.8 | 179.6 | -82.5 | 80.6 | 0 | 0 | 0 | 115.6 | ||||
| 293 | S | 24.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 94.7 | 143.1 | 143.4 | 75.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 294 | V | 24.4 | Very low | 26.9 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | cis | -170.9 | 150.5 | -2.7 | 130.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 295 | A | 24 | Very low | 26.9 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | 48.6 | 128.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 296 | Q | 25.5 | Very low | 27 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | 167.5 | 124.7 | 91.7 | -157.4 | 137.2 | -39.5 | 0 | 0 | 111.7 | |||||
| 297 | E | 22.3 | Very low | 27.7 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -95.1 | 166.1 | 152.3 | -107.3 | -85.1 | 117.9 | 0 | 0 | 106.7 | ||||
| 298 | P | 32 | Very low | 27.7 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | cis | -148.8 | 175.9 | 32.2 | 36.5 | -12.4 | 0 | 0 | 0 | 118 | ||||
| 299 | E | 24.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 158.2 | 98.9 | 132.1 | -89.6 | -165 | 117.5 | 0 | 0 | 116.6 | ||||
| 300 | T | 21.1 | Very low | 27 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | 39.1 | 118.4 | 113.6 | -35.7 | 0 | 0 | 0 | 0 | 125 | |||||
| 301 | C | 20.3 | Very low | 27.2 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | 68.6 | 115.3 | 135.7 | -71.2 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 302 | R | 22.2 | Very low | 28.4 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | 48.5 | 166.1 | 117.3 | -90.2 | -175.2 | -176 | 163.4 | 3.1 | 121.9 | |||||
| 303 | P | 37.5 | Very low | 28.4 | Very low | 97 Ų | 97 | 138 Ų | 138 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | cis | -145.5 | -176.1 | -7.8 | 37.9 | -14.9 | 0 | 0 | 0 | 118.6 | ||||
| 304 | H | 26.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 71.4 | 116.5 | 148.4 | -68.2 | -54.5 | 0 | 0 | 0 | 124.3 | ||||
| 305 | S | 27.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | 174.2 | 137.2 | 99.1 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 306 | T | 26.8 | Very low | 30 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -104.6 | -174.2 | 170.2 | -8.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 307 | P | 44.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -144 | 172.7 | -2.1 | 33.1 | -9.7 | 0 | 0 | 0 | 117.7 | ||||
| 308 | A | 27.3 | Very low | 30.4 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 171.6 | 108 | 132 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 309 | R | 28.4 | Very low | 30.3 | Very low | 232 Ų | 232 | 144.5 Ų | 144.5 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | 52.5 | 126.4 | 88.7 | -116.3 | -169.5 | -167.8 | -155 | 2 | 113.5 | |||||
| 310 | L | 29.2 | Very low | 30.5 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | cis | -154.7 | 159.7 | 35.7 | -84.8 | 153.4 | 0 | 0 | 0 | 111.8 | ||||
| 311 | T | 30.1 | Very low | 30.9 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -101.6 | -156.5 | -179.1 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 312 | P | 52.2 | Low | 31.3 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | -123.7 | -176.1 | -110.2 | 37.2 | -15.3 | 0 | 0 | 0 | 114.3 | |||||
| 313 | S | 25.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -162.7 | 159.9 | 152.8 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 314 | K | 31.4 | Very low | 31.5 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -115.7 | -154.5 | -149.4 | -151.9 | -170.8 | -158.6 | 178.1 | 0 | 110.6 | ||||
| 315 | P | 46.2 | Very low | 31.9 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 72% | 0.721 | 84% | 0.835 | S | S | * | * | -102.5 | 176.5 | -128 | 39.7 | -22.5 | 0 | 0 | 0 | 115.7 | |||||
| 316 | Q | 30.3 | Very low | 32.8 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -145.8 | 120.6 | 161 | -117 | 175 | 4.7 | 0 | 0 | 114 | ||||
| 317 | N | 28.2 | Very low | 32.9 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -78.5 | 147.3 | 160.4 | -81.4 | -31.4 | 0 | 0 | 0 | 109.7 | ||||
| 318 | C | 27 | Very low | 32 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -143.2 | 141 | 150.5 | -100.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 319 | A | 30.3 | Very low | 32.1 | Very low | 90 Ų | 90 | 152.9 Ų | 152.9 | 74% | 0.744 | 83% | 0.834 | S | S | * | * | trans | -99.1 | 159.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 320 | R | 28.9 | Very low | 32 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | 62.2 | 120.3 | 143.4 | -101.8 | -176.4 | 177 | -164.3 | -0 | 120.1 | ||||
| 321 | R | 28.9 | Very low | 32 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | 140.2 | 125.8 | 103.9 | -161 | 175 | -165.7 | -179 | 1.8 | 111.7 | |||||
| 322 | G | 29.2 | Very low | 32 | Very low | 77 Ų | 77 | 151.5 Ų | 151.5 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | 145.8 | 108.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 323 | H | 32.3 | Very low | 31 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | trans | -67.1 | 142.3 | 177.4 | -95.8 | -96.9 | 0 | 0 | 0 | 114.9 | ||||
| 324 | L | 30.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | 153.6 | 143.3 | 116.4 | -92.2 | 140.5 | 0 | 0 | 0 | 113.4 | |||||
| 325 | I | 35 | Very low | 31.2 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -98.4 | -165.9 | -169.4 | -34.9 | 174.1 | 0 | 0 | 0 | 110.3 | ||||
| 326 | P | 46.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 68% | 0.682 | 85% | 0.846 | S | S | * | * | -111.9 | -178.2 | -79.3 | 32.1 | -15.3 | 0 | 0 | 0 | 112.7 | |||||
| 327 | S | 28.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | 164 | 120.7 | 116.8 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 328 | C | 26 | Very low | 30.2 | Very low | 139 Ų | 139 | 144 Ų | 144 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | trans | -144.2 | 107.3 | 153.9 | -87.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 329 | V | 29.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | trans | -114.4 | 121 | 166 | 170.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 330 | S | 27.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -120.3 | 110.7 | 167.5 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 331 | S | 28.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | trans | -69.7 | 140.3 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 332 | R | 30.8 | Very low | 30.8 | Very low | 254 Ų | 254 | 139.1 Ų | 139.1 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | -129 | 117 | 162.2 | -130.4 | 177.4 | -166.3 | 175.4 | 3.8 | 108.1 | ||||
| 333 | A | 29.6 | Very low | 30.9 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -99.4 | 153.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 334 | P | 33.8 | Very low | 30.9 | Very low | 130 Ų | 130 | 144 Ų | 144 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | trans | -106.7 | 156.3 | 160.9 | 33.8 | -22.7 | 0 | 0 | 0 | 112.8 | ||||
| 335 | A | 28.2 | Very low | 31 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -79.3 | 152.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 336 | M | 28.7 | Very low | 30.8 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | trans | -123.8 | 130.1 | 164.8 | -77.8 | -142.5 | 127.8 | 0 | 0 | 111.4 | ||||
| 337 | C | 26.4 | Very low | 30.1 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -83 | 138.5 | 174.2 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 338 | S | 29 | Very low | 30.1 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | 47.3 | 119.5 | 135.1 | -42.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 339 | S | 30.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | -74.4 | 157.1 | 170.2 | 175.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 340 | P | 33 | Very low | 30.3 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 80% | 0.799 | 85% | 0.846 | S | S | * | * | trans | -118.8 | 154.7 | 148.2 | 15 | 5.6 | 0 | 0 | 0 | 114.4 | ||||
| 341 | R | 31 | Very low | 30.7 | Very low | 242 Ų | 242 | 156.2 Ų | 156.2 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 151.8 | -165 | -63.6 | 170 | -175.1 | 171.8 | 0.7 | 115.1 | ||
| 342 | V | 32.3 | Very low | 30.8 | Very low | 135 Ų | 135 | 157 Ų | 157 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 138.4 | 166.5 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 343 | P | 32.6 | Very low | 31 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87 | 136.4 | 166.5 | -6.4 | 24.9 | 0 | 0 | 0 | 112.7 | ||
| 344 | R | 32.3 | Very low | 31.1 | Very low | 242 Ų | 242 | 153.8 Ų | 153.8 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 145.8 | 173.8 | -72.7 | 178.6 | 173.4 | 175.6 | -2.9 | 112.2 | ||
| 345 | P | 31.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 142.5 | 170.8 | 29.6 | -30.1 | 0 | 0 | 0 | 112.4 | ||
| 346 | R | 31 | Very low | 31.5 | Very low | 245 Ų | 245 | 156.5 Ų | 156.5 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.9 | 176 | -79.2 | -168 | 175.1 | -150 | 1.6 | 111.5 | ||
| 347 | L | 30.3 | Very low | 31.8 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 129.9 | 167.9 | -135.2 | 76.7 | 0 | 0 | 0 | 110 | ||
| 348 | R | 28.5 | Very low | 32.2 | Very low | 241 Ų | 241 | 155.5 Ų | 155.5 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -114.7 | 133.2 | 166.5 | -162.9 | 171.7 | -174.4 | 172.5 | 0.4 | 109.1 | ||||
| 349 | S | 30 | Very low | 32.7 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -61.4 | 144.9 | -170.2 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 350 | E | 30.4 | Very low | 32.7 | Very low | 165 Ų | 165 | 158 Ų | 158 | 77% | 0.771 | 83% | 0.832 | S | S | * | * | trans | -65 | 156.2 | 165.1 | -140 | -141.8 | 136.4 | 0 | 0 | 112.5 | ||||
| 351 | P | 35 | Very low | 32.8 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -122.6 | 130.6 | 148.9 | 23 | -5.2 | 0 | 0 | 0 | 113.7 | ||||
| 352 | T | 32.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 77% | 0.767 | 82% | 0.823 | S | S | * | * | trans | -45.7 | 147.5 | 173.4 | -41.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 353 | P | 33.3 | Very low | 32.9 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | trans | -85.9 | 150.9 | -177.7 | 33.3 | -34.2 | 0 | 0 | 0 | 114.1 | ||||
| 354 | L | 32.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -114 | 154.1 | 166.8 | -81 | 176.5 | 0 | 0 | 0 | 111.4 | ||||
| 355 | P | 36.5 | Very low | 33.2 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 159.8 | -147.1 | 36.1 | -34.8 | 0 | 0 | 0 | 116.1 | ||
| 356 | L | 34.7 | Very low | 33.1 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61 | 151.6 | 173.3 | -72.8 | 156.1 | 0 | 0 | 0 | 114.1 | ||
| 357 | P | 34.9 | Very low | 33 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 142.8 | 151 | 1.9 | 18.8 | 0 | 0 | 0 | 112.9 | ||
| 358 | L | 34.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 169.4 | 177.5 | -84.3 | 163.9 | 0 | 0 | 0 | 113.8 | ||
| 359 | P | 38.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 162.2 | -156.2 | 39.3 | -33.8 | 0 | 0 | 0 | 114.8 | ||
| 360 | L | 31.3 | Very low | 33 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -140.4 | 159.4 | 166.1 | -86.6 | 169 | 0 | 0 | 0 | 110.9 | ||||
| 361 | P | 36.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -105.6 | 172 | -128.6 | 39.5 | -36.4 | 0 | 0 | 0 | 116.1 | |||||
| 362 | A | 32.8 | Very low | 33.2 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 163.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 363 | P | 32.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -123.9 | 143.1 | 140.8 | 26.4 | -9.7 | 0 | 0 | 0 | 113.9 | ||||
| 364 | T | 32.2 | Very low | 33.6 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -79.9 | 174.9 | 178.4 | 26.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 365 | P | 37.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -101.9 | 167.6 | -134.7 | 40.8 | -37.8 | 0 | 0 | 0 | 115.2 | ||||
| 366 | S | 30 | Very low | 33.6 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -128.6 | 144.4 | 164 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 367 | Q | 30.1 | Very low | 33.4 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 166.8 | -159.3 | -60.5 | 169.8 | 11.3 | 0 | 0 | 114.5 | ||||
| 368 | G | 27.8 | Very low | 33.1 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -65.3 | -162.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 369 | P | 34.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | cis | -144.1 | 172.1 | 45.7 | 37.9 | -16.5 | 0 | 0 | 0 | 116.5 | ||||
| 370 | S | 26.1 | Very low | 33.2 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -98.6 | -175.5 | 155.9 | -39.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 371 | P | 41.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -135.1 | 175.1 | -10.3 | 37.3 | -18.7 | 0 | 0 | 0 | 113.3 | ||||
| 372 | S | 28.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -177 | 130.2 | 143.6 | 33 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 373 | S | 29.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 112 Ų | 112 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -111.1 | 170.4 | 151.8 | -59.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 374 | P | 42.9 | Very low | 32.5 | Very low | 133 Ų | 133 | 109.7 Ų | 109.7 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | cis | -148.7 | -178.1 | 30.1 | 39.9 | -17.3 | 0 | 0 | 0 | 116.8 | ||||
| 375 | G | 27.6 | Very low | 32.5 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | trans | 126.6 | 155.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 376 | P | 42 | Very low | 32.2 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 90% | 0.903 | 84% | 0.838 | S | S | * | * | trans | -120.4 | 165.4 | -134 | 38 | -24.4 | 0 | 0 | 0 | 115.7 | ||||
| 377 | G | 30.8 | Very low | 32.2 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 176.5 | 117.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 378 | G | 29.5 | Very low | 32.2 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | -95.4 | -158.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | P | 43.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 90% | 0.903 | 85% | 0.845 | S | S | * | * | cis | -122.5 | 160.8 | -42.2 | 36.4 | -22.4 | 0 | 0 | 0 | 111.3 | ||||
| 380 | G | 30.8 | Very low | 32.2 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | -148.8 | 116.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 381 | G | 29.2 | Very low | 32.4 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | trans | -79.9 | 160.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 382 | G | 30.6 | Very low | 32.1 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -164.7 | 107.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 383 | G | 28.7 | Very low | 32.7 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 92% | 0.918 | 83% | 0.829 | S | S | * | * | trans | -77.9 | 150 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 384 | G | 29.7 | Very low | 33.4 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -149.3 | 106.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G386 | G384-G386 PolarHBondContact O-N 2.93Š| ||
| 385 | R | 32.5 | Very low | 33.2 | Very low | 266 Ų | 266 | 124.3 Ų | 124.3 | 100% | 1.004 | 81% | 0.812 | S | S | * | * | trans | -69.7 | 120.6 | 175.4 | -82.5 | 175.3 | 166.3 | -174.7 | -3.7 | 110.2 | ||||
| 386 | G | 30.2 | Very low | 34.1 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -129.4 | 117.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G384 K388 | G384-G386 PolarHBondContact O-N 2.93Å; G386-K388 PolarHBondContact O-N 3.33Å | ||
| 387 | R | 31.1 | Very low | 34.1 | Very low | 247 Ų | 247 | 128.8 Ų | 128.8 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -59.4 | 119.3 | -176.2 | -70.4 | 170.5 | 167.1 | 173.4 | -5 | 111.3 | ||||
| 388 | K | 28.6 | Very low | 34.6 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -84.5 | 111.5 | 163 | -82.3 | -177.5 | 176.3 | 179.5 | 0 | 109 | G386 L390 | G386-K388 PolarHBondContact O-N 3.33Å; K388-L390 PolarHBondContact O-N 3.34Å | ||
| 389 | L | 29.5 | Very low | 35.2 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 112.1 | 158.8 | -93.9 | 109.2 | 0 | 0 | 0 | 108.2 | ||||
| 390 | L | 32.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -79.5 | 115.3 | 165.7 | -92.1 | 145.8 | 0 | 0 | 0 | 108.3 | K388 | K388-L390 PolarHBondContact O-N 3.34Š| ||
| 391 | L | 30.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -102.5 | 138.3 | 158.1 | -131.2 | 81.7 | 0 | 0 | 0 | 108 | ||||
| 392 | P | 36.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | trans | -88.2 | 120.6 | -171.6 | 33.1 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 393 | T | 40.4 | Very low | 36.7 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 57% | 0.571 | 72% | 0.722 | S | S | * | * | trans | -127.6 | 78.6 | 168 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | L395 | T393-L395 VanDerWaalsContact C-N 3.28Š| ||
| 394 | P | 43.6 | Very low | 37.1 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 59% | 0.591 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -68.1 | -29.1 | 167.5 | 25.6 | -30 | 0 | 0 | 0 | 112 | L396 R397 | P394-L396 PolarHBondContact O-N 3.12Å; P394-R397 PolarHBondContact O-N 3.24Å |
| 395 | L | 39.8 | Very low | 37.6 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.3 | -26.2 | -176 | -77.2 | 174.9 | 0 | 0 | 0 | 115.5 | T393 | T393-L395 VanDerWaalsContact C-N 3.28Å |
| 396 | L | 45.5 | Very low | 37.7 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 56% | 0.555 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.6 | -34.7 | 178.9 | -140.8 | 83.4 | 0 | 0 | 0 | 110.7 | P394 L399 Y400 | P394-L396 PolarHBondContact O-N 3.12Å; L396-L399 PolarHBondContact O-N 3.03Å; L396-Y400 HydrophobicContact CD2-CE2 3.87Å; L396-Y400 HydrophobicContact CG-CD2 4.49Å; L396-Y400 HydrophobicContact CG-CE2 4Å; L396-Y400 WeakPolarHBondContact O-CD2 3.43Å; L396-Y400 PolarHBondContact O-N 3.08Å |
| 397 | R | 43.4 | Very low | 38 | Very low | 199 Ų | 199 | 131.2 Ų | 131.2 | 75% | 0.751 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.8 | -39.1 | -177.6 | -136.5 | 175.9 | -172.2 | 177.2 | 0.5 | 111.3 | P394 L399 Y400 T401 | P394-R397 PolarHBondContact O-N 3.24Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.16Å; R397-Y400 PolarHBondContact O-N 3.11Å; R397-Y400 VanDerWaalsContact O-N 3.15Å; R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.34Å |
| 398 | D | 39.9 | Very low | 38 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.5 | -30.8 | 178.5 | -70.4 | -23.5 | 0 | 0 | 0 | 113.1 | T401 L402 | D398-T401 WeakPolarHBondContact CA-OG1 3.37Å; D398-T401 PolarHBondContact O-OG1 3.49Å; D398-L402 WeakPolarHBondContact O-CB 3.45Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.16Å |
| 399 | L | 41.9 | Very low | 38.4 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 171.3 | -114.8 | 100.5 | 0 | 0 | 0 | 112.1 | L396 R397 S403 | L396-L399 PolarHBondContact O-N 3.03Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.16Å; L399-S403 WeakPolarHBondContact O-CB 3.34Å; L399-S403 PolarHBondContact O-N 3.33Å; L399-S403 PolarHBondContact O-OG 3.32Å |
| 400 | Y | 38.6 | Very low | 38.5 | Very low | 139 Ų | 139 | 122 Ų | 122 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.8 | -35.8 | 178.9 | -78.6 | -68.4 | 0 | 0 | 0 | 112.7 | L396 R397 S403 | L396-Y400 HydrophobicContact CD2-CE2 3.87Å; L396-Y400 HydrophobicContact CG-CD2 4.49Å; L396-Y400 HydrophobicContact CG-CE2 4Å; L396-Y400 WeakPolarHBondContact O-CD2 3.43Å; L396-Y400 PolarHBondContact O-N 3.08Å; R397-Y400 PolarHBondContact O-N 3.11Å; R397-Y400 VanDerWaalsContact O-N 3.15Å; Y400-S403 PolarHBondContact O-N 3.43Å |
| 401 | T | 43.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.7 | -33.6 | 176.3 | 34.1 | 0 | 0 | 0 | 0 | 113 | R397 D398 S403 | R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.34Å; D398-T401 WeakPolarHBondContact CA-OG1 3.37Å; D398-T401 PolarHBondContact O-OG1 3.49Å; T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 3.16Å |
| 402 | L | 40.8 | Very low | 38.8 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.2 | -18.7 | 172.7 | -101 | 148.1 | 0 | 0 | 0 | 113.8 | D398 | D398-L402 WeakPolarHBondContact O-CB 3.45Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.16Å |
| 403 | S | 44.8 | Very low | 38.6 | Very low | 61 Ų | 61 | 127 Ų | 127 | 43% | 0.427 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -2.6 | -175.4 | -54.6 | 0 | 0 | 0 | 0 | 114.7 | L399 Y400 T401 L405 | L399-S403 WeakPolarHBondContact O-CB 3.34Å; L399-S403 PolarHBondContact O-N 3.33Å; L399-S403 PolarHBondContact O-OG 3.32Å; Y400-S403 PolarHBondContact O-N 3.43Å; T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 3.16Å; S403-L405 PolarHBondContact O-N 2.99Å; S403-L405 VanDerWaalsContact O-N 3.08Å |
| 404 | G | 36 | Very low | 38.3 | Very low | 62 Ų | 62 | 130.2 Ų | 130.2 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.1 | 24.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | H406 | G404-H406 PolarHBondContact O-N 3.05Š|
| 405 | L | 40.5 | Very low | 37.7 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 41% | 0.408 | 70% | 0.696 | S | S | . | * | trans | -89.4 | 93.4 | -179.2 | -69.2 | 171.1 | 0 | 0 | 0 | 109.7 | S403 | S403-L405 PolarHBondContact O-N 2.99Å; S403-L405 VanDerWaalsContact O-N 3.08Å | ||
| 406 | H | 35.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | trans | -75.7 | 130.1 | 157.6 | -118.6 | 61.6 | 0 | 0 | 0 | 108.8 | G404 S408 | G404-H406 PolarHBondContact O-N 3.05Å; H406-S408 PolarHBondContact O-N 3.09Å | ||
| 407 | P | 35.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -74.6 | 113.2 | 173.9 | 28.6 | -29.5 | 0 | 0 | 0 | 109.3 | ||||
| 408 | S | 30.8 | Very low | 36.2 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | -75.4 | 147.5 | 156.3 | 48 | 0 | 0 | 0 | 0 | 108.8 | H406 F410 | H406-S408 PolarHBondContact O-N 3.09Å; S408-F410 PolarHBondContact O-N 3.03Å | ||
| 409 | P | 37 | Very low | 35.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -66.1 | 112.2 | -169.3 | 25.3 | -31.8 | 0 | 0 | 0 | 110.2 | H411 | P409-H411 PolarHBondContact O-N 2.88Å; P409-H411 VanDerWaalsContact O-N 3.09Å | ||
| 410 | F | 32.2 | Very low | 35.4 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | -63.6 | 106.1 | 168.9 | -104.1 | -95.7 | 0 | 0 | 0 | 108.4 | S408 R412 | S408-F410 PolarHBondContact O-N 3.03Å; F410-R412 PolarHBondContact O-N 3.35Å | ||
| 411 | H | 29.8 | Very low | 35.2 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | -66.7 | 103.2 | 163 | -157.5 | -63.2 | 0 | 0 | 0 | 106.8 | P409 D413 | P409-H411 PolarHBondContact O-N 2.88Å; P409-H411 VanDerWaalsContact O-N 3.09Å; H411-D413 IonicContact CE1-OD2 3.09Å; H411-D413 IonicContact ND1-OD2 2.66Å; H411-D413 PolarHBondContact O-N 3.38Å | ||
| 412 | R | 38.7 | Very low | 34.8 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -53.6 | 121.2 | 160.5 | -105.9 | -175.8 | 159.9 | 174.5 | -5.4 | 106.8 | F410 | F410-R412 PolarHBondContact O-N 3.35Š| ||
| 413 | D | 33.7 | Very low | 34.6 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -172.2 | 138.9 | 139.5 | -79.4 | -33.1 | 0 | 0 | 0 | 107.4 | H411 | H411-D413 IonicContact CE1-OD2 3.09Å; H411-D413 IonicContact ND1-OD2 2.66Å; H411-D413 PolarHBondContact O-N 3.38Å | ||
| 414 | N | 33.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 81.1 | 57.4 | -177.3 | -69.6 | -7 | 0 | 0 | 0 | 119.3 | ||||
| 415 | F | 30.7 | Very low | 34.2 | Very low | 210 Ų | 210 | 156.1 Ų | 156.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -108.9 | 108.8 | 139.9 | -92.8 | -85.4 | 0 | 0 | 0 | 108.9 | ||||
| 416 | S | 30.2 | Very low | 34.1 | Very low | 100 Ų | 100 | 160.7 Ų | 160.7 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -69.4 | 123.3 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | Y418 | S416-Y418 PolarHBondContact O-N 3.49Š| ||
| 417 | P | 36.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 164.6 Ų | 164.6 | 74% | 0.74 | 85% | 0.846 | S | S | * | * | trans | -93.6 | 88.1 | -174.1 | 35.4 | -30.1 | 0 | 0 | 0 | 110.7 | ||||
| 418 | Y | 30.6 | Very low | 33.8 | Very low | 209 Ų | 209 | 166.9 Ų | 166.9 | 82% | 0.82 | 85% | 0.85 | S | S | * | * | trans | -136.4 | 25.4 | 172.1 | -79.1 | -71.9 | 0 | 0 | 0 | 114.5 | S416 | S416-Y418 PolarHBondContact O-N 3.49Š| ||
| 419 | L | 33.1 | Very low | 34 | Very low | 159 Ų | 159 | 171 Ų | 171 | 83% | 0.832 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -120.1 | 8.3 | 180 | -95.5 | 165.9 | 0 | 0 | 0 | 116.4 | ||
| 420 | F | 33.1 | Very low | 33.8 | Very low | 217 Ų | 217 | 173.2 Ų | 173.2 | 95% | 0.952 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -139 | 66.3 | 173.4 | -77.7 | -81.4 | 0 | 0 | 0 | 111.4 | ||
| 421 | A | 34 | Very low | 33.9 | Very low | 105 Ų | 105 | 171.9 Ų | 171.9 | 87% | 0.868 | 86% | 0.863 | S | S | * | * | trans | -146.3 | 62.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 422 | S | 34.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 172.5 Ų | 172.5 | 81% | 0.811 | 87% | 0.87 | S | S | * | * | S | Bend | trans | -157.5 | 60.5 | 167.6 | -174 | 0 | 0 | 0 | 0 | 110.7 | ||
| 423 | R | 37 | Very low | 33.8 | Very low | 233 Ų | 233 | 168.9 Ų | 168.9 | 88% | 0.879 | 87% | 0.871 | S | S | * | * | trans | -173.2 | 97.6 | 156.6 | -111.9 | 172.1 | 92.9 | 147.9 | 5.5 | 105.7 | ||||
| 424 | D | 38.3 | Very low | 33.8 | Very low | 157 Ų | 157 | 171.3 Ų | 171.3 | 84% | 0.84 | 88% | 0.881 | S | S | * | * | trans | 173.5 | 70.7 | 148.2 | -79.8 | -17.9 | 0 | 0 | 0 | 108.2 | ||||
| 425 | H | 34.8 | Very low | 33.9 | Very low | 193 Ų | 193 | 172.2 Ų | 172.2 | 89% | 0.894 | 88% | 0.883 | S | S | * | * | trans | -153.2 | 81.8 | 156.1 | -102.1 | -61.5 | 0 | 0 | 0 | 107.1 | ||||
| 426 | L | 36.4 | Very low | 34.1 | Very low | 173 Ų | 173 | 169 Ų | 169 | 91% | 0.906 | 88% | 0.88 | S | S | * | * | trans | -175.4 | 84 | 157.7 | -100.3 | 169.1 | 0 | 0 | 0 | 106.7 | ||||
| 427 | L | 32.1 | Very low | 34.5 | Very low | 252 Ų | 252 | 175.3 Ų | 175.3 | 100% | 1.319 | 90% | 0.896 | S | S | * | * | trans | 176.4 | 0 | 142.9 | -94.3 | 163.9 | 0 | 0 | 0 | 109.2 |
Retrieved 427 of 427 residues in 1086.3 ms
(Link to these results)