| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | 0 | 123.4 | 0 | 173.4 | 176.3 | -88.1 | 0 | 0 | 106.4 | C3 D232 L233 | M1-C3 VanDerWaalsContact CG-SG 3.57Å; M1-D232 WeakPolarHBondContact CE-OD1 3.34Å; M1-L233 HydrophobicContact CE-CB 4.18Å | |||
| 2 | E | 30.6 | Very low | 35.6 | Very low | 150 Ų | 150 | 102.3 Ų | 102.3 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | trans | -114.8 | 94.4 | 163.8 | -85.5 | -170.7 | 167.5 | 0 | 0 | 106.9 | K4 | E2-K4 PolarHBondContact O-N 2.93Š| ||
| 3 | C | 36.5 | Very low | 36.1 | Very low | 30 Ų | 30 | 95.5 Ų | 95.5 | 20% | 0.203 | 53% | 0.529 | C | S | . | . | trans | -79.2 | 105.3 | 164.7 | -63 | 0 | 0 | 0 | 0 | 106.6 | M1 H5 P11 C13 | M1-C3 VanDerWaalsContact CG-SG 3.57Å; C3-H5 PolarHBondContact O-N 2.88Å; C3-P11 HydrophobicContact CB-CB 3.92Å; C3-C13 HydrophobicContact CB-CB 4.18Å; C3-C13 WeakPolarHBondContact CB-SG 3.37Å; C3-C13 WeakPolarHBondContact SG-CB 3.2Å; C3-C13 CovalentContact SG-SG 2.05Å; C3-C13 PolarHBondContact SG-SG 3.34Å | ||
| 4 | K | 33.7 | Very low | 36.2 | Very low | 157 Ų | 157 | 89.8 Ų | 89.8 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.9 | 170.2 | -70 | -172.3 | 179.9 | -179.3 | 0 | 107.7 | E2 S6 I12 | E2-K4 PolarHBondContact O-N 2.93Å; K4-S6 PolarHBondContact O-N 2.87Å; K4-S6 VanDerWaalsContact O-N 3.12Å; K4-I12 PolarHBondContact O-N 2.88Å |
| 5 | H | 31.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 87.3 Ų | 87.3 | 80% | 0.796 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 118 | 167.4 | -72.8 | 28.1 | 0 | 0 | 0 | 106.9 | C3 | C3-H5 PolarHBondContact O-N 2.88Å |
| 6 | S | 36.1 | Very low | 37.3 | Very low | 19 Ų | 19 | 82.6 Ų | 82.6 | 13% | 0.133 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 154.6 | 167.4 | 90.2 | 0 | 0 | 0 | 0 | 108.4 | K4 T8 G9 N10 | K4-S6 PolarHBondContact O-N 2.87Å; K4-S6 VanDerWaalsContact O-N 3.12Å; S6-T8 PolarHBondContact O-N 2.96Å; S6-T8 WeakPolarHBondContact OG-CA 3.34Å; S6-T8 PolarHBondContact OG-N 3Å; S6-T8 PolarHBondContact OG-OG1 2.78Å; S6-G9 PolarHBondContact O-N 2.74Å; S6-G9 VanDerWaalsContact O-N 3.09Å; S6-G9 PolarHBondContact OG-N 2.88Å; S6-N10 WeakPolarHBondContact CB-O 3.28Å; S6-N10 PolarHBondContact N-O 3.04Å; S6-N10 PolarHBondContact OG-O 2.71Å |
| 7 | T | 36.4 | Very low | 38.4 | Very low | 155 Ų | 155 | 80.6 Ų | 80.6 | 95% | 0.951 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.7 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 8 | T | 43.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 76.7 Ų | 76.7 | 71% | 0.712 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 7.8 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | S6 N10 | S6-T8 PolarHBondContact O-N 2.96Å; S6-T8 WeakPolarHBondContact OG-CA 3.34Å; S6-T8 PolarHBondContact OG-N 3Å; S6-T8 PolarHBondContact OG-OG1 2.78Å; T8-N10 VanDerWaalsContact C-N 3.26Å; T8-N10 PolarHBondContact O-N 2.83Å |
| 9 | G | 32.3 | Very low | 42.6 | Very low | 65 Ų | 65 | 77.9 Ų | 77.9 | 67% | 0.67 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 80 | -2.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S6 | S6-G9 PolarHBondContact O-N 2.74Å; S6-G9 VanDerWaalsContact O-N 3.09Å; S6-G9 PolarHBondContact OG-N 2.88Å |
| 10 | N | 37.6 | Very low | 44.9 | Very low | 119 Ų | 119 | 76.1 Ų | 76.1 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -99.1 | 125 | 168.5 | -77.7 | -9.8 | 0 | 0 | 0 | 109 | S6 T8 I12 | S6-N10 WeakPolarHBondContact CB-O 3.28Å; S6-N10 PolarHBondContact N-O 3.04Å; S6-N10 PolarHBondContact OG-O 2.71Å; T8-N10 VanDerWaalsContact C-N 3.26Å; T8-N10 PolarHBondContact O-N 2.83Å; N10-I12 PolarHBondContact O-N 3.46Å |
| 11 | P | 34.4 | Very low | 47.2 | Very low | 46 Ų | 46 | 72.8 Ų | 72.8 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 124.1 | 172.8 | 21.2 | -29.1 | 0 | 0 | 0 | 109.8 | C3 C13 F226 | C3-P11 HydrophobicContact CB-CB 3.92Å; P11-C13 PolarHBondContact O-N 3.01Å; P11-F226 HydrophobicContact CG-CB 3.94Å; P11-F226 HydrophobicContact CG-CD2 4.49Å; P11-F226 HydrophobicContact CG-CG 4.23Å |
| 12 | I | 38.6 | Very low | 49.8 | Very low | 81 Ų | 81 | 73.5 Ų | 73.5 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 99.5 | 168.2 | -59 | 164.8 | 0 | 0 | 0 | 105.4 | K4 N10 V14 P202 | K4-I12 PolarHBondContact O-N 2.88Å; N10-I12 PolarHBondContact O-N 3.46Å; I12-V14 HydrophobicContact CG2-CG2 3.44Å; I12-V14 VanDerWaalsContact CG2-CG2 3.44Å; I12-V14 PolarHBondContact O-N 2.69Å; I12-P202 HydrophobicContact CG2-CG 4.47Å |
| 13 | C | 42.1 | Very low | 52.9 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 10% | 0.095 | 41% | 0.406 | C | S | . | . | trans | -86.3 | 98.5 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 107.7 | C3 P11 L233 | C3-C13 HydrophobicContact CB-CB 4.18Å; C3-C13 WeakPolarHBondContact CB-SG 3.37Å; C3-C13 WeakPolarHBondContact SG-CB 3.2Å; C3-C13 CovalentContact SG-SG 2.05Å; C3-C13 PolarHBondContact SG-SG 3.34Å; P11-C13 PolarHBondContact O-N 3.01Å; C13-L233 HydrophobicContact CB-CB 4.38Å; C13-L233 HydrophobicContact CB-CD2 3.69Å; C13-L233 HydrophobicContact CB-CG 4.43Å | ||
| 14 | V | 37.8 | Very low | 55.5 | Low | 15 Ų | 15 | 73.1 Ų | 73.1 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | trans | -100.1 | 101.8 | 174.8 | -157.9 | 0 | 0 | 0 | 0 | 108.6 | I12 Q154 I156 | I12-V14 HydrophobicContact CG2-CG2 3.44Å; I12-V14 VanDerWaalsContact CG2-CG2 3.44Å; I12-V14 PolarHBondContact O-N 2.69Å; V14-Q154 HydrophobicContact CG1-CB 4.31Å; V14-Q154 WeakPolarHBondContact CG1-O 3.48Å; V14-I156 HydrophobicContact CB-CB 4.48Å; V14-I156 HydrophobicContact CB-CD1 4.19Å; V14-I156 HydrophobicContact CB-CG1 4Å; V14-I156 HydrophobicContact CB-CG2 3.81Å; V14-I156 HydrophobicContact CG1-CB 4.31Å; V14-I156 HydrophobicContact CG1-CG1 4.07Å; V14-I156 HydrophobicContact CG1-CG2 3.74Å; V14-I156 HydrophobicContact CG2-CG2 4.16Å; V14-I156 VanDerWaalsContact O-CD1 3.23Å; V14-I156 WeakPolarHBondContact O-CD1 3.39Å; V14-I156 WeakPolarHBondContact O-CG1 2.89Å | ||
| 15 | Q | 41.9 | Very low | 58.4 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | trans | -143.5 | 74.2 | 159 | -81.9 | -161.2 | -2.8 | 0 | 0 | 109.3 | R157 K197 | Q15-R157 VanDerWaalsContact CD-NH1 3.27Å; Q15-K197 VanDerWaalsContact O-O 3.11Å | ||
| 16 | A | 48.3 | Very low | 61.5 | Low | 12 Ų | 12 | 64.5 Ų | 64.5 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | trans | -72.9 | 135.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | D155 R157 | A16-D155 HydrophobicContact CB-CB 3.73Å; A16-D155 VanDerWaalsContact O-OD2 3.1Å; A16-R157 PolarHBondContact O-NE 2.87Å; A16-R157 PolarHBondContact O-NH2 2.85Å | ||
| 17 | A | 55.2 | Low | 64.4 | Low | 49 Ų | 49 | 64.1 Ų | 64.1 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | trans | -130.9 | 44.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | Q198 | A17-Q198 PolarHBondContact O-NE2 2.95Š| ||
| 18 | G | 72 | Confident | 67.4 | Low | 10 Ų | 10 | 57.2 Ų | 57.2 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 143.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P20 K171 | G18-P20 WeakPolarHBondContact O-CD 3.3Å; G18-K171 CarbonylContact C-O 3.25Å; G18-K171 VanDerWaalsContact CA-O 3.26Å; G18-K171 WeakPolarHBondContact CA-O 3.43Å |
| 19 | E | 85.3 | Confident | 70 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.1 | 175.4 | -173.8 | -165.7 | 144.2 | 0 | 0 | 107.9 | V21 K170 K171 | E19-V21 PolarHBondContact O-N 3.36Å; E19-K170 VanDerWaalsContact O-CA 3.31Å; E19-K170 WeakPolarHBondContact O-CA 3.19Å; E19-K171 HydrophobicContact CB-CG 4.17Å; E19-K171 PolarHBondContact N-O 2.81Å; E19-K171 PolarHBondContact O-N 2.94Å; E19-K171 WeakPolarHBondContact OE1-CE 3.28Å; E19-K171 IonicContact OE1-NZ 3.72Å; E19-K171 PolarHBondContact OE1-NZ 3.44Å; E19-K171 VanDerWaalsContact OE1-NZ 3.13Å; E19-K171 WeakPolarHBondContact OE2-CE 3.19Å; E19-K171 IonicContact OE2-NZ 3.96Å |
| 20 | P | 88.6 | Confident | 73.1 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 127.8 | 170.7 | -23.4 | 33.8 | 0 | 0 | 0 | 110.4 | G18 Q22 I168 | G18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-Q22 PolarHBondContact O-N 3.46Å; P20-Q22 PolarHBondContact O-NE2 3.27Å; P20-I168 HydrophobicContact CB-CG2 4.28Å |
| 21 | V | 92.2 | Very high | 76 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 123.5 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 108.5 | E19 Q23 E26 F27 L71 L169 K171 | E19-V21 PolarHBondContact O-N 3.36Å; V21-Q23 WeakPolarHBondContact CG1-O 2.93Å; V21-E26 HydrophobicContact CG1-CB 3.96Å; V21-F27 HydrophobicContact CG1-CD2 4.24Å; V21-F27 HydrophobicContact CG2-CD2 3.76Å; V21-F27 HydrophobicContact CG2-CE2 3.94Å; V21-L71 HydrophobicContact CB-CD2 4.29Å; V21-L71 HydrophobicContact CG1-CD2 3.92Å; V21-L71 WeakPolarHBondContact O-CD2 3.24Å; V21-L169 HydrophobicContact CB-CB 4.38Å; V21-L169 HydrophobicContact CB-CD2 4.02Å; V21-L169 HydrophobicContact CB-CG 4.02Å; V21-L169 HydrophobicContact CG1-CD2 4.07Å; V21-L169 HydrophobicContact CG2-CD2 4.1Å; V21-L169 HydrophobicContact CG2-CG 3.84Å; V21-L169 PolarHBondContact N-O 2.77Å; V21-K171 HydrophobicContact CG2-CB 4.14Å; V21-K171 HydrophobicContact CG2-CD 4.19Å; V21-K171 HydrophobicContact CG2-CG 4.37Å |
| 22 | Q | 92.4 | Very high | 79.1 | Confident | 133 Ų | 133 | 41.3 Ų | 41.3 | 62% | 0.621 | 22% | 0.219 | S | C | * | . | trans | -88 | -30.2 | -175.8 | -60.4 | -59.3 | -46.9 | 0 | 0 | 112.3 | P20 | P20-Q22 PolarHBondContact O-N 3.46Å; P20-Q22 PolarHBondContact O-NE2 3.27Å | ||
| 23 | Q | 94 | Very high | 81.9 | Confident | 129 Ų | 129 | 37.5 Ų | 37.5 | 60% | 0.603 | 20% | 0.199 | S | C | * | . | trans | -116.5 | 125.7 | -176.5 | -60.3 | -177.2 | 14.4 | 0 | 0 | 110.7 | V21 T25 E26 | V21-Q23 WeakPolarHBondContact CG1-O 2.93Å; Q23-T25 PolarHBondContact O-N 3.34Å; Q23-T25 VanDerWaalsContact O-N 3.07Å; Q23-E26 HydrophobicContact CB-CB 4.34Å; Q23-E26 VanDerWaalsContact O-CB 3.23Å; Q23-E26 WeakPolarHBondContact O-CB 3.48Å; Q23-E26 PolarHBondContact O-N 3.4Å | ||
| 24 | R | 92.2 | Very high | 84.4 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29 | 179.2 | -68.1 | 164.3 | -173.3 | -98.9 | -8.3 | 113.7 | L69 L71 D75 R77 | R24-L69 HydrophobicContact CB-CB 4.15Å; R24-L69 WeakPolarHBondContact CG-O 3.22Å; R24-L69 PolarHBondContact NH1-O 2.8Å; R24-L69 WeakPolarHBondContact O-CD2 3.42Å; R24-L71 HydrophobicContact CG-CD1 3.97Å; R24-L71 HydrophobicContact CG-CD2 4.02Å; R24-L71 HydrophobicContact CG-CG 3.63Å; R24-D75 VanDerWaalsContact CZ-CG 3.46Å; R24-D75 IonicContact CZ-OD1 3.17Å; R24-D75 IonicContact CZ-OD2 2.95Å; R24-D75 IonicContact NE-OD2 3.92Å; R24-D75 IonicContact NH1-OD1 2.77Å; R24-D75 PolarHBondContact NH1-OD1 3.22Å; R24-D75 IonicContact NH1-OD2 2.64Å; R24-D75 PolarHBondContact NH1-OD2 3.36Å; R24-D75 IonicContact NH2-OD1 3.69Å; R24-D75 PolarHBondContact NH2-OD1 3.34Å; R24-D75 IonicContact NH2-OD2 3.24Å; R24-D75 PolarHBondContact NH2-OD2 2.85Å; R24-R77 PolarHBondContact NH1-O 2.71Å |
| 25 | T | 94.4 | Very high | 87 | Confident | 83 Ų | 83 | 38 Ų | 38 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.1 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | Q23 P28 | Q23-T25 PolarHBondContact O-N 3.34Å; Q23-T25 VanDerWaalsContact O-N 3.07Å; T25-P28 WeakPolarHBondContact O-CD 3.29Å |
| 26 | E | 96.4 | Very high | 89.3 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -44 | 177.3 | -166.8 | 179.9 | 169.9 | 0 | 0 | 111.1 | V21 Q23 P28 K171 | V21-E26 HydrophobicContact CG1-CB 3.96Å; Q23-E26 HydrophobicContact CB-CB 4.34Å; Q23-E26 VanDerWaalsContact O-CB 3.23Å; Q23-E26 WeakPolarHBondContact O-CB 3.48Å; Q23-E26 PolarHBondContact O-N 3.4Å; E26-P28 VanDerWaalsContact C-CD 3.45Å; E26-P28 WeakPolarHBondContact O-CD 3.1Å; E26-K171 VanDerWaalsContact CD-NZ 3.34Å; E26-K171 WeakPolarHBondContact OE1-CD 3.34Å; E26-K171 IonicContact OE1-NZ 2.71Å; E26-K171 PolarHBondContact OE1-NZ 2.81Å; E26-K171 IonicContact OE2-NZ 2.78Å; E26-K171 PolarHBondContact OE2-NZ 3.45Å |
| 27 | F | 97.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -123.1 | 66.7 | 174.7 | -62.2 | -87.3 | 0 | 0 | 0 | 110.7 | V21 F29 I30 V150 K171 L210 P213 | V21-F27 HydrophobicContact CG1-CD2 4.24Å; V21-F27 HydrophobicContact CG2-CD2 3.76Å; V21-F27 HydrophobicContact CG2-CE2 3.94Å; F27-F29 HydrophobicContact CB-CZ 4.39Å; F27-F29 HydrophobicContact CD1-CE1 4.47Å; F27-F29 HydrophobicContact CD1-CE2 4.4Å; F27-F29 AromaticContact CD1-CZ 3.79Å; F27-F29 HydrophobicContact CD1-CZ 3.79Å; F27-F29 PolarHBondContact O-N 2.77Å; F27-I30 HydrophobicContact CB-CG1 3.65Å; F27-I30 PolarHBondContact O-N 3.24Å; F27-I30 VanDerWaalsContact O-N 3.12Å; F27-V150 HydrophobicContact CB-CG2 4.21Å; F27-V150 HydrophobicContact CD1-CB 4.24Å; F27-V150 HydrophobicContact CD1-CG1 3.9Å; F27-V150 HydrophobicContact CD1-CG2 4.25Å; F27-V150 HydrophobicContact CD2-CG2 4.14Å; F27-V150 HydrophobicContact CE1-CB 4.42Å; F27-V150 HydrophobicContact CE1-CG1 4.3Å; F27-V150 HydrophobicContact CG-CB 4.42Å; F27-V150 HydrophobicContact CG-CG1 4.36Å; F27-V150 HydrophobicContact CG-CG2 3.93Å; F27-K171 HydrophobicContact CE2-CB 3.89Å; F27-K171 HydrophobicContact CE2-CD 3.59Å; F27-K171 HydrophobicContact CE2-CG 4.35Å; F27-K171 HydrophobicContact CZ-CB 3.99Å; F27-K171 HydrophobicContact CZ-CD 3.98Å; F27-L210 HydrophobicContact CD1-CD1 4.49Å; F27-L210 HydrophobicContact CE1-CD1 4.33Å; F27-P213 HydrophobicContact CE1-CB 4.19Å; F27-P213 WeakPolarHBondContact CE1-O 3.4Å; F27-P213 HydrophobicContact CZ-CB 4.41Å |
| 28 | P | 97.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.1 | -166.7 | 29.8 | -33.6 | 0 | 0 | 0 | 114.1 | T25 E26 L69 G128 V129 K130 | T25-P28 WeakPolarHBondContact O-CD 3.29Å; E26-P28 VanDerWaalsContact C-CD 3.45Å; E26-P28 WeakPolarHBondContact O-CD 3.1Å; P28-L69 HydrophobicContact CB-CD2 4.11Å; P28-G128 WeakPolarHBondContact CB-O 3.21Å; P28-V129 WeakPolarHBondContact O-CA 3.43Å; P28-V129 VanDerWaalsContact O-CG1 3.31Å; P28-V129 WeakPolarHBondContact O-CG1 3.46Å; P28-K130 HydrophobicContact CB-CB 4.3Å; P28-K130 HydrophobicContact CB-CG 4.1Å; P28-K130 HydrophobicContact CG-CB 3.87Å; P28-K130 HydrophobicContact CG-CD 3.78Å; P28-K130 HydrophobicContact CG-CG 3.7Å; P28-K130 PolarHBondContact O-N 3.37Å; P28-K130 VanDerWaalsContact O-N 3.12Å |
| 29 | F | 98.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -7.1 | 176.3 | 47.8 | -96.3 | 0 | 0 | 0 | 112.9 | F27 S43 L44 K130 I132 P208 L210 | F27-F29 HydrophobicContact CB-CZ 4.39Å; F27-F29 HydrophobicContact CD1-CE1 4.47Å; F27-F29 HydrophobicContact CD1-CE2 4.4Å; F27-F29 AromaticContact CD1-CZ 3.79Å; F27-F29 HydrophobicContact CD1-CZ 3.79Å; F27-F29 PolarHBondContact O-N 2.77Å; F29-S43 CarbonylContact O-C 3.54Å; F29-S43 WeakPolarHBondContact O-CA 3.38Å; F29-L44 PolarHBondContact O-N 2.67Å; F29-K130 WeakPolarHBondContact CA-O 3.04Å; F29-K130 WeakPolarHBondContact CB-O 3.38Å; F29-I132 HydrophobicContact CB-CB 3.89Å; F29-I132 HydrophobicContact CB-CG2 4.18Å; F29-I132 HydrophobicContact CD1-CB 4.1Å; F29-I132 HydrophobicContact CD1-CD1 4.26Å; F29-I132 HydrophobicContact CD2-CB 4.01Å; F29-I132 HydrophobicContact CD2-CD1 3.83Å; F29-I132 HydrophobicContact CD2-CG2 4.17Å; F29-I132 HydrophobicContact CE1-CD1 4.01Å; F29-I132 HydrophobicContact CE2-CD1 3.55Å; F29-I132 HydrophobicContact CG-CB 3.74Å; F29-I132 HydrophobicContact CG-CD1 4.17Å; F29-I132 HydrophobicContact CG-CG1 4.48Å; F29-I132 HydrophobicContact CG-CG2 4.24Å; F29-I132 HydrophobicContact CZ-CD1 3.65Å; F29-P208 HydrophobicContact CE2-CG 4.33Å; F29-L210 HydrophobicContact CE2-CD1 4.17Å; F29-L210 HydrophobicContact CE2-CD2 4.25Å; F29-L210 HydrophobicContact CZ-CD1 3.96Å; F29-L210 HydrophobicContact CZ-CD2 4.47Å |
| 30 | I | 98.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130 | -175.9 | -61.9 | -64.3 | 0 | 0 | 0 | 111.3 | F27 T41 V150 Y152 L169 P208 | F27-I30 HydrophobicContact CB-CG1 3.65Å; F27-I30 PolarHBondContact O-N 3.24Å; F27-I30 VanDerWaalsContact O-N 3.12Å; I30-T41 HydrophobicContact CG2-CG2 3.87Å; I30-V150 HydrophobicContact CD1-CB 4.44Å; I30-V150 HydrophobicContact CD1-CG1 3.41Å; I30-V150 VanDerWaalsContact CD1-CG1 3.41Å; I30-V150 HydrophobicContact CD1-CG2 4.27Å; I30-V150 HydrophobicContact CG1-CG1 3.89Å; I30-V150 HydrophobicContact CG1-CG2 3.97Å; I30-Y152 HydrophobicContact CG2-CE2 3.65Å; I30-L169 HydrophobicContact CG2-CD1 3.84Å; I30-P208 HydrophobicContact CD1-CG 3.43Å; I30-P208 VanDerWaalsContact CD1-CG 3.43Å |
| 31 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L33 T41 G42 V50 V66 S67 F68 | A31-L33 HydrophobicContact CB-CD2 4.08Å; A31-T41 CarbonylContact O-C 3.58Å; A31-T41 WeakPolarHBondContact O-CA 3.4Å; A31-G42 PolarHBondContact N-O 3.13Å; A31-G42 PolarHBondContact O-N 3.31Å; A31-V50 HydrophobicContact CB-CG1 3.84Å; A31-V50 HydrophobicContact CB-CG2 4.43Å; A31-V66 HydrophobicContact CB-CG1 3.98Å; A31-S67 WeakPolarHBondContact CA-O 3.4Å; A31-F68 HydrophobicContact CB-CD1 4.19Å; A31-F68 HydrophobicContact CB-CE1 3.63Å; A31-F68 HydrophobicContact CB-CZ 4.21Å |
| 32 | L | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.3 | 160.7 | 174.3 | 64.4 | 0 | 0 | 0 | 108.5 | M34 M39 V66 S67 E73 Y152 | L32-M34 HydrophobicContact CD1-SD 3.78Å; L32-M34 HydrophobicContact CD2-CG 4.19Å; L32-M34 HydrophobicContact CD2-SD 3.81Å; L32-M34 HydrophobicContact CG-CG 4.01Å; L32-M34 HydrophobicContact CG-SD 3.74Å; L32-M39 HydrophobicContact CD1-CB 4.04Å; L32-M39 HydrophobicContact CD1-SD 4.35Å; L32-V66 WeakPolarHBondContact O-CA 3.41Å; L32-S67 PolarHBondContact N-O 3.02Å; L32-S67 PolarHBondContact O-N 2.7Å; L32-E73 HydrophobicContact CD2-CB 4.17Å; L32-Y152 HydrophobicContact CB-CD2 4.11Å; L32-Y152 HydrophobicContact CB-CE1 4.22Å; L32-Y152 HydrophobicContact CB-CE2 3.57Å; L32-Y152 HydrophobicContact CD1-CD1 4.13Å; L32-Y152 HydrophobicContact CD1-CD2 3.7Å; L32-Y152 HydrophobicContact CD1-CE1 4.45Å; L32-Y152 HydrophobicContact CD1-CE2 4.07Å; L32-Y152 HydrophobicContact CD1-CG 3.74Å; L32-Y152 HydrophobicContact CG-CE2 4.4Å |
| 33 | L | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.1 | 179.2 | -53.4 | -178.9 | 0 | 0 | 0 | 108.7 | A31 M39 C40 V50 T52 I63 V66 I117 | A31-L33 HydrophobicContact CB-CD2 4.08Å; L33-M39 CarbonylContact O-C 3.54Å; L33-M39 WeakPolarHBondContact O-CA 3.49Å; L33-C40 HydrophobicContact CB-CB 4.08Å; L33-C40 WeakPolarHBondContact CB-O 3.27Å; L33-C40 HydrophobicContact CD1-CB 4.19Å; L33-C40 PolarHBondContact N-O 2.89Å; L33-C40 PolarHBondContact O-N 3.27Å; L33-V50 HydrophobicContact CD2-CG1 4.25Å; L33-T52 HydrophobicContact CD1-CG2 3.9Å; L33-T52 VanDerWaalsContact CD1-OG1 3.22Å; L33-T52 WeakPolarHBondContact CD1-OG1 3.47Å; L33-I63 HydrophobicContact CB-CD1 4.18Å; L33-I63 HydrophobicContact CD1-CD1 4.13Å; L33-V66 HydrophobicContact CD2-CB 4.27Å; L33-V66 HydrophobicContact CD2-CG1 3.84Å; L33-V66 HydrophobicContact CD2-CG2 3.82Å; L33-I117 HydrophobicContact CD1-CD1 3.88Å; L33-I117 HydrophobicContact CD2-CD1 3.96Å |
| 34 | M | 95.2 | Very high | 95.4 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 13% | 0.128 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.8 | -178.7 | -58.8 | -65.6 | -67.2 | 0 | 0 | 110.6 | L32 M39 I63 V64 R65 E73 | L32-M34 HydrophobicContact CD1-SD 3.78Å; L32-M34 HydrophobicContact CD2-CG 4.19Å; L32-M34 HydrophobicContact CD2-SD 3.81Å; L32-M34 HydrophobicContact CG-CG 4.01Å; L32-M34 HydrophobicContact CG-SD 3.74Å; M34-M39 HydrophobicContact CE-CB 4.47Å; M34-M39 HydrophobicContact SD-CB 3.64Å; M34-I63 CarbonylContact O-C 3.6Å; M34-I63 WeakPolarHBondContact O-CA 3.48Å; M34-V64 WeakPolarHBondContact O-CG2 3.25Å; M34-V64 PolarHBondContact O-N 2.9Å; M34-R65 HydrophobicContact CB-CB 4.21Å; M34-R65 PolarHBondContact N-O 3.15Å; M34-R65 PolarHBondContact O-N 3.27Å; M34-E73 HydrophobicContact CE-CB 4.49Å |
| 35 | T | 92.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | trans | -103.4 | 176.2 | 156.8 | 78.6 | 0 | 0 | 0 | 0 | 108.3 | A37 S38 P62 I63 | T35-A37 PolarHBondContact O-N 3.07Å; T35-A37 PolarHBondContact OG1-N 2.86Å; T35-A37 VanDerWaalsContact OG1-N 3.15Å; T35-S38 PolarHBondContact N-O 3.24Å; T35-S38 PolarHBondContact OG1-N 2.92Å; T35-S38 PolarHBondContact OG1-O 2.65Å; T35-S38 VanDerWaalsContact OG1-O 3.05Å; T35-S38 PolarHBondContact OG1-OG 3.06Å; T35-S38 VanDerWaalsContact OG1-OG 3.08Å; T35-P62 WeakPolarHBondContact CA-O 3.44Å; T35-P62 WeakPolarHBondContact CB-O 3.49Å; T35-P62 WeakPolarHBondContact CG2-O 3.41Å; T35-I63 HydrophobicContact CG2-CG1 4.09Å | ||
| 36 | D | 89.2 | Confident | 95.9 | Very high | 134 Ų | 134 | 23.1 Ų | 23.1 | 72% | 0.717 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -68.6 | -15.8 | 174.1 | -63.2 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 37 | A | 86.4 | Confident | 96 | Very high | 80 Ų | 80 | 22.3 Ų | 22.3 | 66% | 0.661 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -119.6 | -18.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T35 T61 | T35-A37 PolarHBondContact O-N 3.07Å; T35-A37 PolarHBondContact OG1-N 2.86Å; T35-A37 VanDerWaalsContact OG1-N 3.15Å; A37-T61 HydrophobicContact CB-CG2 4.09Å |
| 38 | S | 89.3 | Confident | 96 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 43% | 0.427 | 16% | 0.158 | S | C | . | . | trans | -156.2 | 165.6 | -170.6 | 72.1 | 0 | 0 | 0 | 0 | 112 | T35 | T35-S38 PolarHBondContact N-O 3.24Å; T35-S38 PolarHBondContact OG1-N 2.92Å; T35-S38 PolarHBondContact OG1-O 2.65Å; T35-S38 VanDerWaalsContact OG1-O 3.05Å; T35-S38 PolarHBondContact OG1-OG 3.06Å; T35-S38 VanDerWaalsContact OG1-OG 3.08Å | ||
| 39 | M | 91.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 15% | 0.153 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 153.8 | 170.6 | 67.9 | -171.9 | 167 | 0 | 0 | 111.5 | L32 L33 M34 Y152 | L32-M39 HydrophobicContact CD1-CB 4.04Å; L32-M39 HydrophobicContact CD1-SD 4.35Å; L33-M39 CarbonylContact O-C 3.54Å; L33-M39 WeakPolarHBondContact O-CA 3.49Å; M34-M39 HydrophobicContact CE-CB 4.47Å; M34-M39 HydrophobicContact SD-CB 3.64Å; M39-Y152 WeakPolarHBondContact CE-O 3.35Å |
| 40 | C | 95.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 171.5 | 168.5 | -84.6 | 0 | 0 | 0 | 0 | 109.4 | L33 C56 G203 S205 | L33-C40 HydrophobicContact CB-CB 4.08Å; L33-C40 WeakPolarHBondContact CB-O 3.27Å; L33-C40 HydrophobicContact CD1-CB 4.19Å; L33-C40 PolarHBondContact N-O 2.89Å; L33-C40 PolarHBondContact O-N 3.27Å; C40-C56 HydrophobicContact CB-CB 3.76Å; C40-C56 WeakPolarHBondContact CB-SG 3.35Å; C40-C56 WeakPolarHBondContact SG-CB 3.31Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.63Å; C40-G203 CarbonylContact C-O 3.54Å; C40-S205 WeakPolarHBondContact CB-O 3.43Å |
| 41 | T | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 154.6 | 170.9 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | I30 A31 T52 G151 Y152 G203 S205 G206 G207 | I30-T41 HydrophobicContact CG2-CG2 3.87Å; A31-T41 CarbonylContact O-C 3.58Å; A31-T41 WeakPolarHBondContact O-CA 3.4Å; T41-T52 PolarHBondContact O-OG1 2.94Å; T41-G151 WeakPolarHBondContact OG1-CA 3.3Å; T41-Y152 HydrophobicContact CG2-CD2 4.2Å; T41-Y152 HydrophobicContact CG2-CE2 4.4Å; T41-Y152 PolarHBondContact OG1-N 2.64Å; T41-G203 PolarHBondContact N-O 2.97Å; T41-G203 PolarHBondContact OG1-O 3.19Å; T41-S205 PolarHBondContact N-O 3.23Å; T41-S205 VanDerWaalsContact O-O 3.09Å; T41-G206 CarbonylContact O-C 3.56Å; T41-G206 VanDerWaalsContact O-CA 3.22Å; T41-G206 WeakPolarHBondContact O-CA 3.42Å; T41-G207 VanDerWaalsContact CG2-CA 3.47Å |
| 42 | G | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A31 L51 | A31-G42 PolarHBondContact N-O 3.13Å; A31-G42 PolarHBondContact O-N 3.31Å; G42-L51 CarbonylContact C-O 3.45Å; G42-L51 VanDerWaalsContact CA-O 3.25Å; G42-L51 WeakPolarHBondContact CA-O 3.43Å |
| 43 | S | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132 | 178.6 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | F29 V45 V50 L51 P208 | F29-S43 CarbonylContact O-C 3.54Å; F29-S43 WeakPolarHBondContact O-CA 3.38Å; S43-V45 PolarHBondContact O-N 2.91Å; S43-V50 CarbonylContact O-C 3.58Å; S43-V50 VanDerWaalsContact O-CA 3.32Å; S43-V50 WeakPolarHBondContact O-CA 3.38Å; S43-L51 PolarHBondContact N-O 2.85Å; S43-L51 PolarHBondContact O-N 2.97Å; S43-P208 WeakPolarHBondContact OG-CB 3.4Å; S43-P208 WeakPolarHBondContact OG-CD 3.42Å; S43-P208 WeakPolarHBondContact OG-CG 3.48Å |
| 44 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 111.6 | 174.6 | -170.9 | 70 | 0 | 0 | 0 | 110.4 | F29 S46 V50 F68 L119 V123 L125 V129 V131 I132 | F29-L44 PolarHBondContact O-N 2.67Å; L44-S46 WeakPolarHBondContact CD1-O 3.23Å; L44-S46 WeakPolarHBondContact CG-O 3.48Å; L44-V50 HydrophobicContact CD1-CG2 4.03Å; L44-F68 HydrophobicContact CB-CE1 3.81Å; L44-F68 HydrophobicContact CB-CZ 4.28Å; L44-F68 HydrophobicContact CD1-CE1 4.17Å; L44-F68 HydrophobicContact CD1-CZ 3.76Å; L44-F68 HydrophobicContact CD2-CE1 4.43Å; L44-F68 HydrophobicContact CG-CE1 4.36Å; L44-F68 HydrophobicContact CG-CZ 4.41Å; L44-L119 HydrophobicContact CD1-CD1 4.42Å; L44-V123 HydrophobicContact CD1-CG2 3.86Å; L44-V123 HydrophobicContact CD2-CB 4.14Å; L44-V123 HydrophobicContact CD2-CG1 4.01Å; L44-V123 HydrophobicContact CD2-CG2 4.06Å; L44-L125 HydrophobicContact CD2-CD2 4.27Å; L44-V129 HydrophobicContact CD2-CG1 3.59Å; L44-V131 HydrophobicContact CD2-CG2 4.06Å; L44-V131 HydrophobicContact CG-CG2 4.21Å; L44-V131 WeakPolarHBondContact O-CA 3.46Å; L44-I132 WeakPolarHBondContact O-CG2 3.38Å; L44-I132 PolarHBondContact O-N 3.23Å |
| 45 | V | 98.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | trans | -110.1 | -7.6 | -175.6 | -66.2 | 0 | 0 | 0 | 0 | 113.6 | S43 A49 L51 V131 I132 L134 I217 I251 | S43-V45 PolarHBondContact O-N 2.91Å; V45-A49 HydrophobicContact CG2-CB 4.19Å; V45-A49 WeakPolarHBondContact CG2-O 3.23Å; V45-A49 PolarHBondContact N-O 3.39Å; V45-L51 HydrophobicContact CB-CB 4.49Å; V45-L51 HydrophobicContact CG1-CB 3.69Å; V45-L51 HydrophobicContact CG1-CD2 4.06Å; V45-L51 HydrophobicContact CG2-CB 3.94Å; V45-V131 VanDerWaalsContact O-CG1 3.3Å; V45-V131 WeakPolarHBondContact O-CG1 3.38Å; V45-I132 HydrophobicContact CG1-CG2 4.13Å; V45-L134 HydrophobicContact CB-CD2 4.02Å; V45-L134 HydrophobicContact CG1-CD2 3.64Å; V45-I217 HydrophobicContact CG1-CG2 4.5Å; V45-I251 HydrophobicContact CG2-CB 4.47Å; V45-I251 HydrophobicContact CG2-CG2 3.65Å | ||
| 46 | S | 98.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -148.6 | 175.6 | 163.6 | 80.5 | 0 | 0 | 0 | 0 | 108.9 | L44 R48 A49 I251 | L44-S46 WeakPolarHBondContact CD1-O 3.23Å; L44-S46 WeakPolarHBondContact CG-O 3.48Å; S46-R48 PolarHBondContact O-N 2.64Å; S46-R48 PolarHBondContact OG-N 2.92Å; S46-A49 PolarHBondContact N-O 3.19Å; S46-A49 WeakPolarHBondContact OG-CB 3.47Å; S46-A49 PolarHBondContact OG-N 3.29Å; S46-I251 WeakPolarHBondContact CB-OXT 3.43Å; S46-I251 PolarHBondContact OG-OXT 3.29Å |
| 47 | S | 98.2 | Very high | 96.5 | Very high | 48 Ų | 48 | 20.7 Ų | 20.7 | 34% | 0.336 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -62.4 | -4.5 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 114 | L122 V123 | S47-L122 CarbonylContact O-C 3.58Å; S47-L122 WeakPolarHBondContact O-CA 3.32Å; S47-V123 PolarHBondContact O-N 3.3Å |
| 48 | R | 98.1 | Very high | 96.8 | Very high | 113 Ų | 113 | 17 Ų | 17 | 43% | 0.426 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -139.8 | -5.3 | -179.8 | 71.4 | -179 | -162.2 | 156.2 | 7.9 | 115.5 | S46 T118 L119 L122 | S46-R48 PolarHBondContact O-N 2.64Å; S46-R48 PolarHBondContact OG-N 2.92Å; R48-T118 CarbonylContact O-C 3.53Å; R48-T118 WeakPolarHBondContact O-CA 3.45Å; R48-L119 WeakPolarHBondContact O-CB 3.13Å; R48-L119 WeakPolarHBondContact O-CG 3.42Å; R48-L119 PolarHBondContact O-N 2.9Å; R48-L122 HydrophobicContact CB-CD2 3.69Å; R48-L122 HydrophobicContact CG-CD2 4.44Å |
| 49 | A | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V45 S46 I116 I117 I251 | V45-A49 HydrophobicContact CG2-CB 4.19Å; V45-A49 WeakPolarHBondContact CG2-O 3.23Å; V45-A49 PolarHBondContact N-O 3.39Å; S46-A49 PolarHBondContact N-O 3.19Å; S46-A49 WeakPolarHBondContact OG-CB 3.47Å; S46-A49 PolarHBondContact OG-N 3.29Å; A49-I116 HydrophobicContact CB-CG2 3.98Å; A49-I117 WeakPolarHBondContact CA-O 3.08Å; A49-I251 HydrophobicContact CB-CB 3.74Å; A49-I251 HydrophobicContact CB-CG2 3.73Å |
| 50 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | A31 L33 S43 L44 V66 F68 I116 I117 L119 | A31-V50 HydrophobicContact CB-CG1 3.84Å; A31-V50 HydrophobicContact CB-CG2 4.43Å; L33-V50 HydrophobicContact CD2-CG1 4.25Å; S43-V50 CarbonylContact O-C 3.58Å; S43-V50 VanDerWaalsContact O-CA 3.32Å; S43-V50 WeakPolarHBondContact O-CA 3.38Å; L44-V50 HydrophobicContact CD1-CG2 4.03Å; V50-V66 HydrophobicContact CG2-CG1 4.1Å; V50-F68 HydrophobicContact CG2-CE1 4.32Å; V50-F68 HydrophobicContact CG2-CZ 3.75Å; V50-I116 WeakPolarHBondContact O-CA 3.34Å; V50-I117 HydrophobicContact CB-CB 4.32Å; V50-I117 PolarHBondContact N-O 3.24Å; V50-I117 PolarHBondContact O-N 2.64Å; V50-L119 HydrophobicContact CG2-CD1 4.22Å; V50-L119 HydrophobicContact CG2-CD2 4.31Å; V50-L119 HydrophobicContact CG2-CG 4.4Å |
| 51 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.8 | 172.9 | 178.1 | 61.6 | 0 | 0 | 0 | 109.7 | G42 S43 V45 M114 I116 L134 I217 V220 V240 I247 | G42-L51 CarbonylContact C-O 3.45Å; G42-L51 VanDerWaalsContact CA-O 3.25Å; G42-L51 WeakPolarHBondContact CA-O 3.43Å; S43-L51 PolarHBondContact N-O 2.85Å; S43-L51 PolarHBondContact O-N 2.97Å; V45-L51 HydrophobicContact CB-CB 4.49Å; V45-L51 HydrophobicContact CG1-CB 3.69Å; V45-L51 HydrophobicContact CG1-CD2 4.06Å; V45-L51 HydrophobicContact CG2-CB 3.94Å; L51-M114 HydrophobicContact CD1-CG 3.53Å; L51-M114 HydrophobicContact CD1-SD 3.79Å; L51-I116 HydrophobicContact CB-CD1 4.09Å; L51-I116 HydrophobicContact CD1-CD1 3.52Å; L51-I116 HydrophobicContact CG-CD1 4.38Å; L51-L134 HydrophobicContact CD2-CD2 4.14Å; L51-I217 HydrophobicContact CD2-CD1 3.92Å; L51-I217 HydrophobicContact CD2-CG2 4.46Å; L51-V220 HydrophobicContact CD1-CG2 4.22Å; L51-V220 HydrophobicContact CD2-CG2 3.91Å; L51-V220 HydrophobicContact CG-CG2 3.78Å; L51-V240 HydrophobicContact CD2-CG2 3.89Å; L51-I247 HydrophobicContact CD1-CD1 4.49Å; L51-I247 HydrophobicContact CD1-CG1 4.3Å; L51-I247 HydrophobicContact CD2-CD1 4.35Å |
| 52 | T | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -176 | -179.7 | -170 | 0 | 0 | 0 | 0 | 110.5 | L33 T41 A115 I117 G206 V220 | L33-T52 HydrophobicContact CD1-CG2 3.9Å; L33-T52 VanDerWaalsContact CD1-OG1 3.22Å; L33-T52 WeakPolarHBondContact CD1-OG1 3.47Å; T41-T52 PolarHBondContact O-OG1 2.94Å; T52-A115 HydrophobicContact CG2-CB 4.2Å; T52-A115 PolarHBondContact N-O 3.3Å; T52-A115 PolarHBondContact O-N 3.27Å; T52-A115 VanDerWaalsContact O-O 3.12Å; T52-I117 HydrophobicContact CG2-CD1 3.86Å; T52-I117 HydrophobicContact CG2-CG1 4.17Å; T52-G206 WeakPolarHBondContact OG1-CA 3.3Å; T52-V220 VanDerWaalsContact C-CG1 3.48Å |
| 53 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -81 | 145.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H55 C56 D113 G206 V220 | A53-H55 VanDerWaalsContact C-N 3.31Å; A53-H55 PolarHBondContact O-N 3.12Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 3.12Å; A53-D113 VanDerWaalsContact CA-O 3.32Å; A53-D113 WeakPolarHBondContact CA-O 3.31Å; A53-G206 VanDerWaalsContact N-CA 3.31Å; A53-V220 HydrophobicContact CB-CG1 4.16Å | ||
| 54 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C56 V57 C58 D113 | G54-C56 PolarHBondContact O-N 3.16Å; G54-C56 VanDerWaalsContact O-N 3.14Å; G54-V57 WeakPolarHBondContact O-CG2 3.39Å; G54-V57 PolarHBondContact O-N 3.21Å; G54-C58 PolarHBondContact O-N 2.98Å; G54-C58 PolarHBondContact O-SG 3.04Å; G54-D113 VanDerWaalsContact CA-OD1 3.27Å; G54-D113 WeakPolarHBondContact CA-OD1 3.4Å; G54-D113 PolarHBondContact N-O 2.74Å; G54-D113 PolarHBondContact N-OD1 3.49Å |
| 55 | H | 94.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 34 Ų | 34 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -23.6 | -177.7 | 78.5 | -101.9 | 0 | 0 | 0 | 114.1 | A53 V57 Y92 K99 D113 S205 S222 | A53-H55 VanDerWaalsContact C-N 3.31Å; A53-H55 PolarHBondContact O-N 3.12Å; H55-V57 PolarHBondContact O-N 3.2Å; H55-Y92 HydrophobicContact CB-CE1 4.28Å; H55-Y92 WeakPolarHBondContact CB-OH 3.39Å; H55-K99 PolarHBondContact O-NZ 3Å; H55-K99 VanDerWaalsContact O-NZ 3.12Å; H55-D113 IonicContact CE1-OD2 2.68Å; H55-D113 IonicContact CG-OD2 3.94Å; H55-D113 PolarHBondContact N-OD1 3.18Å; H55-D113 IonicContact ND1-OD1 2.83Å; H55-D113 IonicContact ND1-OD2 3.89Å; H55-D113 PolarHBondContact ND1-OD2 3.44Å; H55-S205 VanDerWaalsContact CE1-CB 3.42Å; H55-S205 WeakPolarHBondContact CE1-CB 3.19Å; H55-S205 PolarHBondContact CE1-OG 3.18Å; H55-S205 VanDerWaalsContact CE1-OG 3.26Å; H55-S205 WeakPolarHBondContact NE2-CB 3.16Å; H55-S205 PolarHBondContact NE2-OG 2.62Å; H55-S222 PolarHBondContact CE1-O 2.93Å; H55-S222 VanDerWaalsContact CE1-O 3.22Å |
| 56 | C | 95.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -25.3 | 174.8 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | C40 A53 G54 | C40-C56 HydrophobicContact CB-CB 3.76Å; C40-C56 WeakPolarHBondContact CB-SG 3.35Å; C40-C56 WeakPolarHBondContact SG-CB 3.31Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.63Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 3.12Å; G54-C56 PolarHBondContact O-N 3.16Å; G54-C56 VanDerWaalsContact O-N 3.14Å |
| 57 | V | 95.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -113.1 | -8.7 | -177.4 | -62.2 | 0 | 0 | 0 | 0 | 114.2 | G54 H55 G59 I63 I86 V88 A115 I117 | G54-V57 WeakPolarHBondContact O-CG2 3.39Å; G54-V57 PolarHBondContact O-N 3.21Å; H55-V57 PolarHBondContact O-N 3.2Å; V57-G59 PolarHBondContact O-N 3.04Å; V57-I63 HydrophobicContact CG1-CD1 3.48Å; V57-I63 VanDerWaalsContact CG1-CD1 3.48Å; V57-I63 HydrophobicContact CG1-CG1 4.33Å; V57-I86 HydrophobicContact CB-CD1 4.41Å; V57-I86 HydrophobicContact CB-CG2 3.69Å; V57-I86 HydrophobicContact CG1-CD1 4.09Å; V57-I86 HydrophobicContact CG1-CG2 3.75Å; V57-I86 HydrophobicContact CG2-CG2 3.7Å; V57-V88 HydrophobicContact CG2-CG2 3.54Å; V57-A115 HydrophobicContact CG2-CB 3.57Å; V57-I117 HydrophobicContact CG1-CD1 4.38Å; V57-I117 HydrophobicContact CG1-CG1 4.38Å |
| 58 | C | 92.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -73.5 | -11 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 114 | G54 C96 K99 | G54-C58 PolarHBondContact O-N 2.98Å; G54-C58 PolarHBondContact O-SG 3.04Å; C58-C96 HydrophobicContact CB-CB 3.7Å; C58-C96 WeakPolarHBondContact CB-SG 3.18Å; C58-C96 WeakPolarHBondContact SG-CA 3.22Å; C58-C96 WeakPolarHBondContact SG-CB 3.3Å; C58-C96 CovalentContact SG-SG 2.02Å; C58-C96 PolarHBondContact SG-SG 2.73Å; C58-K99 HydrophobicContact CB-CD 3.87Å |
| 59 | G | 85 | Confident | 95.3 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -67.2 | 167.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V57 | V57-G59 PolarHBondContact O-N 3.04Š|
| 60 | Q | 83.3 | Confident | 95.2 | Very high | 169 Ų | 169 | 25.9 Ų | 25.9 | 79% | 0.79 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -73.1 | -31.3 | 173.5 | -68.9 | -175.2 | -32.6 | 0 | 0 | 112.2 | ||
| 61 | T | 89.3 | Confident | 94.9 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -86.2 | 117 | 174.7 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | A37 | A37-T61 HydrophobicContact CB-CG2 4.09Š|
| 62 | P | 93.9 | Very high | 94.6 | Very high | 82 Ų | 82 | 29.1 Ų | 29.1 | 53% | 0.532 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 159.3 | 179.1 | 30.3 | -35 | 0 | 0 | 0 | 111 | T35 V64 | T35-P62 WeakPolarHBondContact CA-O 3.44Å; T35-P62 WeakPolarHBondContact CB-O 3.49Å; T35-P62 WeakPolarHBondContact CG2-O 3.41Å; P62-V64 HydrophobicContact CG-CG1 4.41Å; P62-V64 PolarHBondContact O-N 3.26Å |
| 63 | I | 96.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -67 | 122.6 | 164.7 | -64.4 | 176.5 | 0 | 0 | 0 | 107.2 | L33 M34 T35 V57 V66 P83 I117 | L33-I63 HydrophobicContact CB-CD1 4.18Å; L33-I63 HydrophobicContact CD1-CD1 4.13Å; M34-I63 CarbonylContact O-C 3.6Å; M34-I63 WeakPolarHBondContact O-CA 3.48Å; T35-I63 HydrophobicContact CG2-CG1 4.09Å; V57-I63 HydrophobicContact CG1-CD1 3.48Å; V57-I63 VanDerWaalsContact CG1-CD1 3.48Å; V57-I63 HydrophobicContact CG1-CG1 4.33Å; I63-V66 HydrophobicContact CG2-CG2 4.07Å; I63-P83 HydrophobicContact CG2-CG 4.4Å; I63-P83 WeakPolarHBondContact O-CG 3.43Å; I63-I117 HydrophobicContact CD1-CD1 3.36Å; I63-I117 HydrophobicContact CD1-CG1 4.4Å |
| 64 | V | 96.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 36% | 0.358 | 19% | 0.187 | S | C | . | . | trans | -103.8 | -20.7 | -178.9 | -63.9 | 0 | 0 | 0 | 0 | 112 | M34 P62 | M34-V64 WeakPolarHBondContact O-CG2 3.25Å; M34-V64 PolarHBondContact O-N 2.9Å; P62-V64 HydrophobicContact CG-CG1 4.41Å; P62-V64 PolarHBondContact O-N 3.26Å | ||
| 65 | R | 97 | Very high | 93.1 | Very high | 68 Ų | 68 | 35.6 Ų | 35.6 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 135.6 | -176.1 | 179.6 | 171.8 | 73.6 | 119.6 | -7.7 | 111.6 | M34 S67 E73 N80 | M34-R65 HydrophobicContact CB-CB 4.21Å; M34-R65 PolarHBondContact N-O 3.15Å; M34-R65 PolarHBondContact O-N 3.27Å; R65-S67 WeakPolarHBondContact CG-OG 3.49Å; R65-S67 PolarHBondContact NH1-OG 2.88Å; R65-E73 PolarHBondContact NH2-O 2.82Å; R65-N80 WeakPolarHBondContact CD-OD1 3.45Å; R65-N80 HydrophobicContact CG-CB 4.5Å; R65-N80 PolarHBondContact NH1-OD1 2.9Å |
| 66 | V | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | A31 L32 L33 V50 I63 F68 N80 H81 L119 | A31-V66 HydrophobicContact CB-CG1 3.98Å; L32-V66 WeakPolarHBondContact O-CA 3.41Å; L33-V66 HydrophobicContact CD2-CB 4.27Å; L33-V66 HydrophobicContact CD2-CG1 3.84Å; L33-V66 HydrophobicContact CD2-CG2 3.82Å; V50-V66 HydrophobicContact CG2-CG1 4.1Å; I63-V66 HydrophobicContact CG2-CG2 4.07Å; V66-F68 HydrophobicContact CG1-CE2 4.08Å; V66-F68 HydrophobicContact CG1-CZ 3.94Å; V66-N80 CarbonylContact O-C 3.55Å; V66-N80 WeakPolarHBondContact O-CA 3.17Å; V66-H81 HydrophobicContact CB-CB 4.4Å; V66-H81 PolarHBondContact N-O 3.15Å; V66-H81 PolarHBondContact O-N 2.94Å; V66-L119 HydrophobicContact CB-CD2 3.94Å; V66-L119 HydrophobicContact CG1-CD2 3.99Å; V66-L119 HydrophobicContact CG2-CD2 3.87Å |
| 67 | S | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.4 | -169.2 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | A31 L32 R65 T78 I79 N80 | A31-S67 WeakPolarHBondContact CA-O 3.4Å; L32-S67 PolarHBondContact N-O 3.02Å; L32-S67 PolarHBondContact O-N 2.7Å; R65-S67 WeakPolarHBondContact CG-OG 3.49Å; R65-S67 PolarHBondContact NH1-OG 2.88Å; S67-T78 VanDerWaalsContact CB-OG1 3.27Å; S67-T78 WeakPolarHBondContact CB-OG1 3.47Å; S67-I79 WeakPolarHBondContact CA-O 3.26Å; S67-N80 PolarHBondContact OG-OD1 3.26Å |
| 68 | F | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 158.8 | 175.8 | -59.6 | -75.8 | 0 | 0 | 0 | 111.8 | A31 L44 V50 V66 S70 T78 I79 H81 L119 V123 V129 | A31-F68 HydrophobicContact CB-CD1 4.19Å; A31-F68 HydrophobicContact CB-CE1 3.63Å; A31-F68 HydrophobicContact CB-CZ 4.21Å; L44-F68 HydrophobicContact CB-CE1 3.81Å; L44-F68 HydrophobicContact CB-CZ 4.28Å; L44-F68 HydrophobicContact CD1-CE1 4.17Å; L44-F68 HydrophobicContact CD1-CZ 3.76Å; L44-F68 HydrophobicContact CD2-CE1 4.43Å; L44-F68 HydrophobicContact CG-CE1 4.36Å; L44-F68 HydrophobicContact CG-CZ 4.41Å; V50-F68 HydrophobicContact CG2-CE1 4.32Å; V50-F68 HydrophobicContact CG2-CZ 3.75Å; V66-F68 HydrophobicContact CG1-CE2 4.08Å; V66-F68 HydrophobicContact CG1-CZ 3.94Å; F68-S70 PolarHBondContact O-N 2.84Å; F68-T78 PolarHBondContact N-OG1 2.86Å; F68-T78 WeakPolarHBondContact O-CA 3.43Å; F68-T78 WeakPolarHBondContact O-CB 3.27Å; F68-T78 PolarHBondContact O-OG1 3.47Å; F68-I79 PolarHBondContact N-O 2.87Å; F68-I79 PolarHBondContact O-N 2.79Å; F68-H81 AromaticContact CD2-CD2 3.94Å; F68-H81 AromaticContact CE2-CD2 3.93Å; F68-L119 HydrophobicContact CE2-CD1 3.96Å; F68-L119 HydrophobicContact CZ-CD1 4.12Å; F68-V123 HydrophobicContact CD2-CG2 4.36Å; F68-V123 HydrophobicContact CE2-CG2 3.71Å; F68-V123 HydrophobicContact CZ-CG2 4.21Å; F68-V129 HydrophobicContact CB-CG1 4.13Å; F68-V129 HydrophobicContact CB-CG2 3.71Å; F68-V129 HydrophobicContact CD1-CG1 3.97Å; F68-V129 HydrophobicContact CG-CG1 3.95Å; F68-V129 HydrophobicContact CG-CG2 4.29Å |
| 69 | L | 97.5 | Very high | 93 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 55.5 | 34.7 | -179 | -52.5 | -177.4 | 0 | 0 | 0 | 112.7 | R24 P28 I79 V129 | R24-L69 HydrophobicContact CB-CB 4.15Å; R24-L69 WeakPolarHBondContact CG-O 3.22Å; R24-L69 PolarHBondContact NH1-O 2.8Å; R24-L69 WeakPolarHBondContact O-CD2 3.42Å; P28-L69 HydrophobicContact CB-CD2 4.11Å; L69-I79 HydrophobicContact CD1-CD1 3.88Å; L69-V129 HydrophobicContact CD1-CG2 4.01Å; L69-V129 HydrophobicContact CD2-CG2 4.29Å; L69-V129 HydrophobicContact CG-CG2 3.84Å |
| 70 | S | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -98.7 | 117.8 | -178.6 | -147 | 0 | 0 | 0 | 0 | 109.1 | F68 S72 Y152 | F68-S70 PolarHBondContact O-N 2.84Å; S70-S72 VanDerWaalsContact C-N 3.35Å; S70-S72 PolarHBondContact OG-O 3.35Å; S70-Y152 WeakPolarHBondContact O-CE1 3.31Å; S70-Y152 PolarHBondContact O-OH 2.8Å | ||
| 71 | L | 93.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -83 | -19.7 | 171 | -66.2 | -177.9 | 0 | 0 | 0 | 112 | V21 R24 D75 L169 | V21-L71 HydrophobicContact CB-CD2 4.29Å; V21-L71 HydrophobicContact CG1-CD2 3.92Å; V21-L71 WeakPolarHBondContact O-CD2 3.24Å; R24-L71 HydrophobicContact CG-CD1 3.97Å; R24-L71 HydrophobicContact CG-CD2 4.02Å; R24-L71 HydrophobicContact CG-CG 3.63Å; L71-D75 PolarHBondContact N-OD2 2.97Å; L71-L169 HydrophobicContact CD2-CD2 4.42Å; L71-L169 PolarHBondContact O-N 3.22Å |
| 72 | S | 91.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -150.6 | 172.4 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | S70 F74 D75 G167 | S70-S72 VanDerWaalsContact C-N 3.35Å; S70-S72 PolarHBondContact OG-O 3.35Å; S72-F74 PolarHBondContact O-N 2.87Å; S72-D75 WeakPolarHBondContact O-CB 3.44Å; S72-D75 PolarHBondContact O-N 2.77Å; S72-G167 CarbonylContact C-O 3.54Å; S72-G167 VanDerWaalsContact C-O 3.25Å; S72-G167 WeakPolarHBondContact CA-O 3.29Å; S72-G167 VanDerWaalsContact CB-O 3.24Å; S72-G167 WeakPolarHBondContact CB-O 3.49Å |
| 73 | E | 87.7 | Confident | 94.9 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.6 | 177.1 | 66.3 | 169.3 | 159.9 | 0 | 0 | 113.9 | L32 M34 R65 R164 G167 | L32-E73 HydrophobicContact CD2-CB 4.17Å; M34-E73 HydrophobicContact CE-CB 4.49Å; R65-E73 PolarHBondContact NH2-O 2.82Å; E73-R164 VanDerWaalsContact CD-NH1 3.3Å; E73-R164 WeakPolarHBondContact OE1-CD 3.39Å; E73-R164 IonicContact OE1-CZ 3.77Å; E73-R164 IonicContact OE1-NE 2.82Å; E73-R164 IonicContact OE1-NH1 3.54Å; E73-R164 PolarHBondContact OE1-NH1 2.87Å; E73-R164 IonicContact OE2-NH1 3.25Å; E73-R164 PolarHBondContact OE2-NH1 2.85Å; E73-G167 PolarHBondContact N-O 3.22Å |
| 74 | F | 87.1 | Confident | 95 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.9 | -180 | -55.8 | -68.6 | 0 | 0 | 0 | 113.6 | S72 Q76 D160 R164 | S72-F74 PolarHBondContact O-N 2.87Å; F74-Q76 PolarHBondContact O-N 2.85Å; F74-D160 VanDerWaalsContact CE2-OD2 3.28Å; F74-D160 WeakPolarHBondContact CE2-OD2 3.46Å; F74-R164 VanDerWaalsContact CZ-CZ 3.5Å; F74-R164 VanDerWaalsContact CZ-NH1 3.3Å |
| 75 | D | 88 | Confident | 95.1 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -67.4 | 106.7 | -175.9 | -168.7 | -21.1 | 0 | 0 | 0 | 111.6 | R24 L71 S72 R77 T78 | R24-D75 VanDerWaalsContact CZ-CG 3.46Å; R24-D75 IonicContact CZ-OD1 3.17Å; R24-D75 IonicContact CZ-OD2 2.95Å; R24-D75 IonicContact NE-OD2 3.92Å; R24-D75 IonicContact NH1-OD1 2.77Å; R24-D75 PolarHBondContact NH1-OD1 3.22Å; R24-D75 IonicContact NH1-OD2 2.64Å; R24-D75 PolarHBondContact NH1-OD2 3.36Å; R24-D75 IonicContact NH2-OD1 3.69Å; R24-D75 PolarHBondContact NH2-OD1 3.34Å; R24-D75 IonicContact NH2-OD2 3.24Å; R24-D75 PolarHBondContact NH2-OD2 2.85Å; L71-D75 PolarHBondContact N-OD2 2.97Å; S72-D75 WeakPolarHBondContact O-CB 3.44Å; S72-D75 PolarHBondContact O-N 2.77Å; D75-R77 PolarHBondContact O-N 3.5Å; D75-R77 PolarHBondContact OD1-N 3.29Å; D75-T78 WeakPolarHBondContact O-CG2 3.39Å | ||
| 76 | Q | 90.1 | Very high | 95.1 | Very high | 190 Ų | 190 | 60.4 Ų | 60.4 | 89% | 0.888 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -14.5 | -177.8 | -64.1 | -175.1 | -19.6 | 0 | 0 | 113.9 | F74 T78 | F74-Q76 PolarHBondContact O-N 2.85Å; Q76-T78 VanDerWaalsContact C-N 3.27Å; Q76-T78 PolarHBondContact O-N 3.18Å |
| 77 | R | 92.7 | Very high | 95.1 | Very high | 191 Ų | 191 | 63.8 Ų | 63.8 | 72% | 0.721 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 14 | -178.9 | -68.1 | 179.9 | -66.6 | 175.2 | -5.2 | 112.6 | R24 D75 | R24-R77 PolarHBondContact NH1-O 2.71Å; D75-R77 PolarHBondContact O-N 3.5Å; D75-R77 PolarHBondContact OD1-N 3.29Å |
| 78 | T | 96 | Very high | 95.1 | Very high | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | trans | -77.1 | 155.1 | 178 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | S67 F68 D75 Q76 N80 | S67-T78 VanDerWaalsContact CB-OG1 3.27Å; S67-T78 WeakPolarHBondContact CB-OG1 3.47Å; F68-T78 PolarHBondContact N-OG1 2.86Å; F68-T78 WeakPolarHBondContact O-CA 3.43Å; F68-T78 WeakPolarHBondContact O-CB 3.27Å; F68-T78 PolarHBondContact O-OG1 3.47Å; D75-T78 WeakPolarHBondContact O-CG2 3.39Å; Q76-T78 VanDerWaalsContact C-N 3.27Å; Q76-T78 PolarHBondContact O-N 3.18Å; T78-N80 VanDerWaalsContact CG2-OD1 3.29Å; T78-N80 WeakPolarHBondContact CG2-OD1 3.21Å | ||
| 79 | I | 97.2 | Very high | 95.1 | Very high | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.2 | 171.7 | -60.3 | 169.8 | 0 | 0 | 0 | 108.5 | S67 F68 L69 T127 V129 | S67-I79 WeakPolarHBondContact CA-O 3.26Å; F68-I79 PolarHBondContact N-O 2.87Å; F68-I79 PolarHBondContact O-N 2.79Å; L69-I79 HydrophobicContact CD1-CD1 3.88Å; I79-T127 VanDerWaalsContact CD1-CB 3.42Å; I79-T127 HydrophobicContact CD1-CG2 3.9Å; I79-T127 VanDerWaalsContact CD1-OG1 3.25Å; I79-T127 WeakPolarHBondContact CD1-OG1 3.22Å; I79-V129 HydrophobicContact CD1-CG2 3.91Å |
| 80 | N | 97.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.3 | -174.1 | -63.7 | -57.7 | 0 | 0 | 0 | 112.1 | R65 V66 S67 T78 | R65-N80 WeakPolarHBondContact CD-OD1 3.45Å; R65-N80 HydrophobicContact CG-CB 4.5Å; R65-N80 PolarHBondContact NH1-OD1 2.9Å; V66-N80 CarbonylContact O-C 3.55Å; V66-N80 WeakPolarHBondContact O-CA 3.17Å; S67-N80 PolarHBondContact OG-OD1 3.26Å; T78-N80 VanDerWaalsContact CG2-OD1 3.29Å; T78-N80 WeakPolarHBondContact CG2-OD1 3.21Å |
| 81 | H | 98.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 11% | 0.111 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 166 | 170.7 | -70.6 | -107.6 | 0 | 0 | 0 | 110.1 | V66 F68 L119 N121 | V66-H81 HydrophobicContact CB-CB 4.4Å; V66-H81 PolarHBondContact N-O 3.15Å; V66-H81 PolarHBondContact O-N 2.94Å; F68-H81 AromaticContact CD2-CD2 3.94Å; F68-H81 AromaticContact CE2-CD2 3.93Å; H81-L119 HydrophobicContact CB-CD1 4.1Å; H81-L119 HydrophobicContact CB-CD2 4Å; H81-L119 HydrophobicContact CB-CG 4.43Å; H81-N121 PolarHBondContact ND1-O 2.96Å |
| 82 | R | 98.2 | Very high | 95.3 | Very high | 187 Ų | 187 | 71.2 Ų | 71.2 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | trans | -115 | 148.1 | 171.6 | -67.9 | -174.6 | 179.9 | -177 | 0.1 | 110.1 | L119 T120 | R82-L119 WeakPolarHBondContact O-CA 3.43Å; R82-T120 PolarHBondContact O-N 3.47Å; R82-T120 PolarHBondContact O-OG1 2.64Å | ||
| 83 | P | 98 | Very high | 95.4 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.5 | 168.6 | 29.6 | -32.1 | 0 | 0 | 0 | 110.3 | I63 I86 I117 | I63-P83 HydrophobicContact CG2-CG 4.4Å; I63-P83 WeakPolarHBondContact O-CG 3.43Å; P83-I86 HydrophobicContact CB-CD1 4.47Å; P83-I86 HydrophobicContact CB-CG1 4.4Å; P83-I117 HydrophobicContact CB-CG2 3.57Å |
| 84 | L | 97.9 | Very high | 95.6 | Very high | 119 Ų | 119 | 75.4 Ų | 75.4 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -47.3 | 168.7 | 176.1 | 64.4 | 0 | 0 | 0 | 110.9 | T118 | L84-T118 WeakPolarHBondContact CB-O 3.12Å; L84-T118 HydrophobicContact CD2-CG2 4.45Å; L84-T118 PolarHBondContact N-O 3.45Å |
| 85 | E | 97.7 | Very high | 95.9 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.8 | -177.5 | -171.3 | -174.1 | -170.4 | 0 | 0 | 109 | K87 T118 | E85-K87 VanDerWaalsContact CD-CE 3.41Å; E85-K87 HydrophobicContact CG-CG 4.44Å; E85-K87 WeakPolarHBondContact OE1-CE 3.49Å; E85-K87 IonicContact OE1-NZ 3.66Å; E85-T118 PolarHBondContact N-O 3.45Å; E85-T118 PolarHBondContact O-N 3.1Å |
| 86 | I | 97.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.4 | 174.8 | -59.7 | 177.9 | 0 | 0 | 0 | 108.4 | V57 P83 I116 I117 | V57-I86 HydrophobicContact CB-CD1 4.41Å; V57-I86 HydrophobicContact CB-CG2 3.69Å; V57-I86 HydrophobicContact CG1-CD1 4.09Å; V57-I86 HydrophobicContact CG1-CG2 3.75Å; V57-I86 HydrophobicContact CG2-CG2 3.7Å; P83-I86 HydrophobicContact CB-CD1 4.47Å; P83-I86 HydrophobicContact CB-CG1 4.4Å; I86-I116 WeakPolarHBondContact CA-O 3.41Å; I86-I117 HydrophobicContact CG1-CG1 4.29Å; I86-I117 HydrophobicContact CG1-CG2 4.41Å |
| 87 | K | 98.2 | Very high | 96.3 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.7 | 173.9 | -65.4 | -175.8 | -176.1 | -176.3 | 0 | 109.7 | E85 A115 I116 F246 N250 | E85-K87 VanDerWaalsContact CD-CE 3.41Å; E85-K87 HydrophobicContact CG-CG 4.44Å; E85-K87 WeakPolarHBondContact OE1-CE 3.49Å; E85-K87 IonicContact OE1-NZ 3.66Å; K87-A115 CarbonylContact O-C 3.58Å; K87-A115 WeakPolarHBondContact O-CA 3.38Å; K87-A115 WeakPolarHBondContact O-CB 3.25Å; K87-I116 PolarHBondContact N-O 3.38Å; K87-I116 PolarHBondContact O-N 3.12Å; K87-F246 HydrophobicContact CB-CE2 4.45Å; K87-F246 HydrophobicContact CB-CZ 4.44Å; K87-N250 HydrophobicContact CD-CB 4.29Å; K87-N250 WeakPolarHBondContact CD-OD1 3.5Å; K87-N250 WeakPolarHBondContact CE-OD1 3.33Å; K87-N250 PolarHBondContact NZ-OD1 2.79Å |
| 88 | V | 98.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.4 | 175 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | V57 Y92 A115 | V57-V88 HydrophobicContact CG2-CG2 3.54Å; V88-Y92 HydrophobicContact CG1-CD1 3.97Å; V88-A115 HydrophobicContact CG2-CB 4.27Å |
| 89 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -50.2 | 128.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E91 Y92 N93 Y112 M114 M243 F246 | A89-E91 PolarHBondContact O-N 3.08Å; A89-E91 VanDerWaalsContact O-N 3.14Å; A89-Y92 WeakPolarHBondContact O-CA 3.33Å; A89-Y92 PolarHBondContact O-N 3.22Å; A89-N93 PolarHBondContact O-N 3.12Å; A89-N93 VanDerWaalsContact O-N 3.11Å; A89-Y112 WeakPolarHBondContact CB-O 3Å; A89-M114 HydrophobicContact CB-CB 4.25Å; A89-M114 PolarHBondContact N-O 3.28Å; A89-M243 HydrophobicContact CB-CE 3.54Å; A89-F246 HydrophobicContact CB-CD1 4.1Å; A89-F246 HydrophobicContact CB-CD2 4.4Å; A89-F246 HydrophobicContact CB-CE1 4.16Å; A89-F246 HydrophobicContact CB-CE2 4.45Å; A89-F246 HydrophobicContact CB-CG 4.22Å; A89-F246 HydrophobicContact CB-CZ 4.34Å; A89-F246 VanDerWaalsContact N-CZ 3.33Å | ||
| 90 | P | 97.2 | Very high | 95.6 | Very high | 87 Ų | 87 | 67.8 Ų | 67.8 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -38 | -176.2 | -29 | 35.6 | 0 | 0 | 0 | 113.4 | Y92 N93 P94 | P90-Y92 PolarHBondContact O-N 3.05Å; P90-N93 WeakPolarHBondContact O-CB 3.48Å; P90-N93 PolarHBondContact O-N 3.15Å; P90-P94 WeakPolarHBondContact O-CD 3.15Å |
| 91 | E | 96.4 | Very high | 95.3 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.2 | 179 | -61.1 | 85.8 | 169.3 | 0 | 0 | 112.7 | A89 L109 Y112 | A89-E91 PolarHBondContact O-N 3.08Å; A89-E91 VanDerWaalsContact O-N 3.14Å; E91-L109 VanDerWaalsContact O-CD1 3.26Å; E91-L109 WeakPolarHBondContact O-CD1 3.38Å; E91-Y112 HydrophobicContact CB-CD1 3.57Å; E91-Y112 HydrophobicContact CB-CD2 3.87Å; E91-Y112 HydrophobicContact CB-CE1 4Å; E91-Y112 HydrophobicContact CB-CE2 4.26Å; E91-Y112 HydrophobicContact CB-CG 3.5Å; E91-Y112 VanDerWaalsContact CB-CG 3.5Å; E91-Y112 HydrophobicContact CG-CD1 3.9Å; E91-Y112 HydrophobicContact CG-CE1 3.89Å; E91-Y112 HydrophobicContact CG-CG 4.31Å |
| 92 | Y | 96.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 73.7 Ų | 73.7 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -17.4 | 177.1 | -161 | -99.2 | 0 | 0 | 0 | 113.5 | H55 V88 A89 P90 P94 V95 C96 L109 Y112 D113 | H55-Y92 HydrophobicContact CB-CE1 4.28Å; H55-Y92 WeakPolarHBondContact CB-OH 3.39Å; V88-Y92 HydrophobicContact CG1-CD1 3.97Å; A89-Y92 WeakPolarHBondContact O-CA 3.33Å; A89-Y92 PolarHBondContact O-N 3.22Å; P90-Y92 PolarHBondContact O-N 3.05Å; Y92-P94 VanDerWaalsContact C-N 3.31Å; Y92-V95 HydrophobicContact CD1-CB 4.36Å; Y92-V95 HydrophobicContact CD2-CG2 4.5Å; Y92-V95 HydrophobicContact CE1-CB 4.07Å; Y92-V95 HydrophobicContact CE1-CG1 3.96Å; Y92-V95 HydrophobicContact CE2-CB 4.25Å; Y92-V95 HydrophobicContact CE2-CG1 4.28Å; Y92-V95 HydrophobicContact CE2-CG2 4.29Å; Y92-V95 WeakPolarHBondContact O-CB 3.42Å; Y92-V95 PolarHBondContact O-N 2.86Å; Y92-C96 PolarHBondContact O-N 3.45Å; Y92-L109 HydrophobicContact CD2-CB 3.69Å; Y92-L109 HydrophobicContact CE2-CB 3.91Å; Y92-Y112 VanDerWaalsContact CB-O 3.28Å; Y92-Y112 WeakPolarHBondContact CB-O 3.15Å; Y92-D113 VanDerWaalsContact CD2-CA 3.42Å; Y92-D113 HydrophobicContact CD2-CB 3.83Å; Y92-D113 WeakPolarHBondContact CE1-OD1 3.3Å; Y92-D113 HydrophobicContact CE2-CB 3.45Å; Y92-D113 VanDerWaalsContact CE2-CB 3.45Å; Y92-D113 PolarHBondContact OH-OD1 2.98Å |
| 93 | N | 94.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 40% | 0.401 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.6 | -36 | -179.2 | -169.9 | 39.9 | 0 | 0 | 0 | 114.6 | A89 P90 V95 C96 Q97 | A89-N93 PolarHBondContact O-N 3.12Å; A89-N93 VanDerWaalsContact O-N 3.11Å; P90-N93 WeakPolarHBondContact O-CB 3.48Å; P90-N93 PolarHBondContact O-N 3.15Å; N93-V95 PolarHBondContact O-N 3.32Å; N93-C96 WeakPolarHBondContact O-CA 3.15Å; N93-C96 WeakPolarHBondContact O-CB 3.44Å; N93-C96 PolarHBondContact O-N 2.94Å; N93-Q97 PolarHBondContact O-N 2.93Å |
| 94 | P | 93 | Very high | 93.9 | Very high | 69 Ų | 69 | 79.4 Ų | 79.4 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58 | -33.6 | 173.5 | -26.5 | 36.2 | 0 | 0 | 0 | 113.8 | P90 Y92 Q97 L98 | P90-P94 WeakPolarHBondContact O-CD 3.15Å; Y92-P94 VanDerWaalsContact C-N 3.31Å; P94-Q97 PolarHBondContact O-N 3.34Å; P94-L98 WeakPolarHBondContact O-CG 3.19Å; P94-L98 PolarHBondContact O-N 3.09Å |
| 95 | V | 93.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | Y92 N93 Q97 L98 K99 I105 L109 | Y92-V95 HydrophobicContact CD1-CB 4.36Å; Y92-V95 HydrophobicContact CD2-CG2 4.5Å; Y92-V95 HydrophobicContact CE1-CB 4.07Å; Y92-V95 HydrophobicContact CE1-CG1 3.96Å; Y92-V95 HydrophobicContact CE2-CB 4.25Å; Y92-V95 HydrophobicContact CE2-CG1 4.28Å; Y92-V95 HydrophobicContact CE2-CG2 4.29Å; Y92-V95 WeakPolarHBondContact O-CB 3.42Å; Y92-V95 PolarHBondContact O-N 2.86Å; N93-V95 PolarHBondContact O-N 3.32Å; V95-Q97 VanDerWaalsContact C-N 3.33Å; V95-Q97 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.31Å; V95-K99 WeakPolarHBondContact O-CB 3.44Å; V95-K99 PolarHBondContact O-N 3.06Å; V95-I105 HydrophobicContact CG1-CD1 3.75Å; V95-I105 HydrophobicContact CG1-CG1 4.25Å; V95-I105 HydrophobicContact CG1-CG2 4.39Å; V95-I105 HydrophobicContact CG2-CG2 4.48Å; V95-L109 HydrophobicContact CG2-CB 4.29Å; V95-L109 HydrophobicContact CG2-CD1 3.6Å; V95-L109 HydrophobicContact CG2-CG 3.94Å |
| 96 | C | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 172.9 | -75.4 | 0 | 0 | 0 | 0 | 112.1 | C58 Y92 N93 K99 R100 | C58-C96 HydrophobicContact CB-CB 3.7Å; C58-C96 WeakPolarHBondContact CB-SG 3.18Å; C58-C96 WeakPolarHBondContact SG-CA 3.22Å; C58-C96 WeakPolarHBondContact SG-CB 3.3Å; C58-C96 CovalentContact SG-SG 2.02Å; C58-C96 PolarHBondContact SG-SG 2.73Å; Y92-C96 PolarHBondContact O-N 3.45Å; N93-C96 WeakPolarHBondContact O-CA 3.15Å; N93-C96 WeakPolarHBondContact O-CB 3.44Å; N93-C96 PolarHBondContact O-N 2.94Å; C96-K99 PolarHBondContact O-N 3.05Å; C96-R100 WeakPolarHBondContact O-CG 3.41Å; C96-R100 PolarHBondContact O-N 3.04Å |
| 97 | Q | 92.6 | Very high | 91.6 | Very high | 104 Ų | 104 | 81.5 Ų | 81.5 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 179.2 | -176.9 | 177 | 0.1 | 0 | 0 | 111.3 | N93 P94 V95 K99 R100 E101 | N93-Q97 PolarHBondContact O-N 2.93Å; P94-Q97 PolarHBondContact O-N 3.34Å; V95-Q97 VanDerWaalsContact C-N 3.33Å; V95-Q97 PolarHBondContact O-N 2.83Å; Q97-K99 VanDerWaalsContact C-N 3.3Å; Q97-K99 PolarHBondContact O-N 3.12Å; Q97-R100 PolarHBondContact O-N 3.43Å; Q97-E101 VanDerWaalsContact CG-OE1 3.23Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.44Å; Q97-E101 PolarHBondContact NE2-OE1 2.77Å; Q97-E101 WeakPolarHBondContact O-CG 3.16Å; Q97-E101 PolarHBondContact O-N 2.83Å |
| 98 | L | 92.6 | Very high | 90.7 | Very high | 56 Ų | 56 | 80.5 Ų | 80.5 | 29% | 0.293 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 177 | -69.5 | 174 | 0 | 0 | 0 | 111.9 | P94 V95 E101 N102 K103 I105 | P94-L98 WeakPolarHBondContact O-CG 3.19Å; P94-L98 PolarHBondContact O-N 3.09Å; V95-L98 PolarHBondContact O-N 3.31Å; L98-E101 CarbonylContact O-C 3.53Å; L98-E101 PolarHBondContact O-N 2.77Å; L98-N102 PolarHBondContact O-N 3.32Å; L98-N102 VanDerWaalsContact O-N 3.13Å; L98-K103 HydrophobicContact CB-CB 4.28Å; L98-K103 HydrophobicContact CD2-CB 3.77Å; L98-K103 HydrophobicContact CD2-CD 3.83Å; L98-K103 HydrophobicContact CD2-CG 4.45Å; L98-K103 PolarHBondContact O-N 2.87Å; L98-I105 HydrophobicContact CB-CG1 4.23Å |
| 99 | K | 90.2 | Very high | 90.2 | Very high | 85 Ų | 85 | 80.4 Ų | 80.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.5 | -171 | 175.4 | -178.6 | 176.5 | 0 | 111.9 | H55 C58 V95 C96 Q97 E101 N102 | H55-K99 PolarHBondContact O-NZ 3Å; H55-K99 VanDerWaalsContact O-NZ 3.12Å; C58-K99 HydrophobicContact CB-CD 3.87Å; V95-K99 WeakPolarHBondContact O-CB 3.44Å; V95-K99 PolarHBondContact O-N 3.06Å; C96-K99 PolarHBondContact O-N 3.05Å; Q97-K99 VanDerWaalsContact C-N 3.3Å; Q97-K99 PolarHBondContact O-N 3.12Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 2.92Å; K99-N102 PolarHBondContact O-N 3.47Å; K99-N102 VanDerWaalsContact O-N 3.1Å |
| 100 | R | 89.9 | Confident | 89.8 | Confident | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.525 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 177.3 | -71.7 | 173 | -175.9 | 166.3 | 2 | 112.6 | C96 Q97 N102 | C96-R100 WeakPolarHBondContact O-CG 3.41Å; C96-R100 PolarHBondContact O-N 3.04Å; Q97-R100 PolarHBondContact O-N 3.43Å; R100-N102 PolarHBondContact O-N 2.9Å |
| 101 | E | 91.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.6 | 175.3 | -65.7 | 174.6 | -167.9 | 0 | 0 | 113.2 | Q97 L98 K99 K103 | Q97-E101 VanDerWaalsContact CG-OE1 3.23Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.44Å; Q97-E101 PolarHBondContact NE2-OE1 2.77Å; Q97-E101 WeakPolarHBondContact O-CG 3.16Å; Q97-E101 PolarHBondContact O-N 2.83Å; L98-E101 CarbonylContact O-C 3.53Å; L98-E101 PolarHBondContact O-N 2.77Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 2.92Å; E101-K103 HydrophobicContact CB-CD 4.12Å; E101-K103 HydrophobicContact CB-CG 4.06Å; E101-K103 PolarHBondContact O-N 3.4Å; E101-K103 WeakPolarHBondContact OE2-CD 3.49Å; E101-K103 WeakPolarHBondContact OE2-CE 3.31Å; E101-K103 IonicContact OE2-NZ 2.95Å; E101-K103 PolarHBondContact OE2-NZ 3.38Å |
| 102 | N | 87.5 | Confident | 89.7 | Confident | 151 Ų | 151 | 75.6 Ų | 75.6 | 81% | 0.807 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33 | -175.4 | -156.8 | 30.4 | 0 | 0 | 0 | 113.7 | L98 K99 R100 | L98-N102 PolarHBondContact O-N 3.32Å; L98-N102 VanDerWaalsContact O-N 3.13Å; K99-N102 PolarHBondContact O-N 3.47Å; K99-N102 VanDerWaalsContact O-N 3.1Å; R100-N102 PolarHBondContact O-N 2.9Å |
| 103 | K | 90.7 | Very high | 89.8 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 150.2 | 177.7 | -72 | 179.1 | -179.9 | 164.6 | 0 | 111.1 | L98 E101 I105 | L98-K103 HydrophobicContact CB-CB 4.28Å; L98-K103 HydrophobicContact CD2-CB 3.77Å; L98-K103 HydrophobicContact CD2-CD 3.83Å; L98-K103 HydrophobicContact CD2-CG 4.45Å; L98-K103 PolarHBondContact O-N 2.87Å; E101-K103 HydrophobicContact CB-CD 4.12Å; E101-K103 HydrophobicContact CB-CG 4.06Å; E101-K103 PolarHBondContact O-N 3.4Å; E101-K103 WeakPolarHBondContact OE2-CD 3.49Å; E101-K103 WeakPolarHBondContact OE2-CE 3.31Å; E101-K103 IonicContact OE2-NZ 2.95Å; E101-K103 PolarHBondContact OE2-NZ 3.38Å; K103-I105 PolarHBondContact O-N 2.05Å |
| 104 | R | 87.2 | Confident | 90 | Very high | 219 Ų | 219 | 71.5 Ų | 71.5 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 127.9 | 178 | -175.6 | 175.7 | 178.5 | 145.3 | 0.5 | 111.1 | T106 | R104-T106 HydrophobicContact CG-CG2 4.37Š|
| 105 | I | 83 | Confident | 90.2 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 124.1 | 170.9 | -60.4 | 156.9 | 0 | 0 | 0 | 108.2 | V95 L98 K103 K107 | V95-I105 HydrophobicContact CG1-CD1 3.75Å; V95-I105 HydrophobicContact CG1-CG1 4.25Å; V95-I105 HydrophobicContact CG1-CG2 4.39Å; V95-I105 HydrophobicContact CG2-CG2 4.48Å; L98-I105 HydrophobicContact CB-CG1 4.23Å; K103-I105 PolarHBondContact O-N 2.05Å; I105-K107 WeakPolarHBondContact CG2-O 3.48Å |
| 106 | T | 81.3 | Confident | 90.5 | Very high | 117 Ų | 117 | 67.8 Ų | 67.8 | 72% | 0.718 | 32% | 0.316 | S | S | * | . | trans | -109.7 | -9.2 | -178.2 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | R104 | R104-T106 HydrophobicContact CG-CG2 4.37Š| ||
| 107 | K | 80.5 | Confident | 90.8 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -123.2 | 125.9 | 179.2 | -63.9 | -179.5 | -178.5 | 176.4 | 0 | 109.4 | I105 L109 F184 | I105-K107 WeakPolarHBondContact CG2-O 3.48Å; K107-L109 HydrophobicContact CB-CD2 4.49Å; K107-L109 PolarHBondContact O-N 2.83Å; K107-F184 HydrophobicContact CB-CE2 4.47Å; K107-F184 HydrophobicContact CD-CZ 4.32Å; K107-F184 HydrophobicContact CG-CZ 4.44Å |
| 108 | S | 77.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | trans | -73.2 | 120.7 | 163.5 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | G110 F184 E236 | S108-G110 PolarHBondContact OG-N 3.26Å; S108-F184 WeakPolarHBondContact O-CD2 3.13Å; S108-E236 PolarHBondContact OG-OE2 3.02Å | ||
| 109 | L | 89.3 | Confident | 91.4 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | trans | -103.6 | 39.3 | 170.7 | -63.2 | -174 | 0 | 0 | 0 | 110.4 | E91 Y92 V95 K107 G111 Y112 D113 F184 | E91-L109 VanDerWaalsContact O-CD1 3.26Å; E91-L109 WeakPolarHBondContact O-CD1 3.38Å; Y92-L109 HydrophobicContact CD2-CB 3.69Å; Y92-L109 HydrophobicContact CE2-CB 3.91Å; V95-L109 HydrophobicContact CG2-CB 4.29Å; V95-L109 HydrophobicContact CG2-CD1 3.6Å; V95-L109 HydrophobicContact CG2-CG 3.94Å; K107-L109 HydrophobicContact CB-CD2 4.49Å; K107-L109 PolarHBondContact O-N 2.83Å; L109-G111 PolarHBondContact O-N 2.88Å; L109-G111 VanDerWaalsContact O-N 3.09Å; L109-Y112 HydrophobicContact CB-CD2 4.34Å; L109-Y112 HydrophobicContact CD2-CD2 4.4Å; L109-Y112 WeakPolarHBondContact O-CA 3.41Å; L109-Y112 PolarHBondContact O-N 2.84Å; L109-D113 PolarHBondContact O-N 2.85Å; L109-F184 HydrophobicContact CD2-CB 3.67Å; L109-F184 HydrophobicContact CD2-CD1 4.29Å; L109-F184 HydrophobicContact CD2-CG 3.95Å | ||
| 110 | G | 88.7 | Confident | 91.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S108 Y112 S222 S238 | S108-G110 PolarHBondContact OG-N 3.26Å; G110-Y112 VanDerWaalsContact C-N 3.29Å; G110-Y112 PolarHBondContact O-N 3.28Å; G110-S222 WeakPolarHBondContact CA-OG 3.37Å; G110-S238 WeakPolarHBondContact O-CA 3.41Å; G110-S238 WeakPolarHBondContact O-CB 3.3Å; G110-S238 PolarHBondContact O-OG 3.22Å |
| 111 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L109 F184 G185 | L109-G111 PolarHBondContact O-N 2.88Å; L109-G111 VanDerWaalsContact O-N 3.09Å; G111-F184 VanDerWaalsContact CA-O 3.24Å; G111-F184 WeakPolarHBondContact CA-O 3.4Å; G111-F184 PolarHBondContact N-O 3.42Å; G111-G185 WeakPolarHBondContact CA-O 3.36Å |
| 112 | Y | 97.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -3.9 | 179.8 | -59.2 | -60.6 | 0 | 0 | 0 | 113.8 | A89 E91 Y92 L109 G110 M114 G185 M243 | A89-Y112 WeakPolarHBondContact CB-O 3Å; E91-Y112 HydrophobicContact CB-CD1 3.57Å; E91-Y112 HydrophobicContact CB-CD2 3.87Å; E91-Y112 HydrophobicContact CB-CE1 4Å; E91-Y112 HydrophobicContact CB-CE2 4.26Å; E91-Y112 HydrophobicContact CB-CG 3.5Å; E91-Y112 VanDerWaalsContact CB-CG 3.5Å; E91-Y112 HydrophobicContact CG-CD1 3.9Å; E91-Y112 HydrophobicContact CG-CE1 3.89Å; E91-Y112 HydrophobicContact CG-CG 4.31Å; Y92-Y112 VanDerWaalsContact CB-O 3.28Å; Y92-Y112 WeakPolarHBondContact CB-O 3.15Å; L109-Y112 HydrophobicContact CB-CD2 4.34Å; L109-Y112 HydrophobicContact CD2-CD2 4.4Å; L109-Y112 WeakPolarHBondContact O-CA 3.41Å; L109-Y112 PolarHBondContact O-N 2.84Å; G110-Y112 VanDerWaalsContact C-N 3.29Å; G110-Y112 PolarHBondContact O-N 3.28Å; Y112-M114 PolarHBondContact O-N 3.14Å; Y112-G185 VanDerWaalsContact CE2-CA 3.42Å; Y112-M243 HydrophobicContact CD1-CE 4.39Å; Y112-M243 HydrophobicContact CD1-SD 3.94Å |
| 113 | D | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -68.1 | 72.1 | -174 | -172.2 | 13.2 | 0 | 0 | 0 | 113.2 | A53 G54 H55 Y92 L109 S222 S238 | A53-D113 VanDerWaalsContact CA-O 3.32Å; A53-D113 WeakPolarHBondContact CA-O 3.31Å; G54-D113 VanDerWaalsContact CA-OD1 3.27Å; G54-D113 WeakPolarHBondContact CA-OD1 3.4Å; G54-D113 PolarHBondContact N-O 2.74Å; G54-D113 PolarHBondContact N-OD1 3.49Å; H55-D113 IonicContact CE1-OD2 2.68Å; H55-D113 IonicContact CG-OD2 3.94Å; H55-D113 PolarHBondContact N-OD1 3.18Å; H55-D113 IonicContact ND1-OD1 2.83Å; H55-D113 IonicContact ND1-OD2 3.89Å; H55-D113 PolarHBondContact ND1-OD2 3.44Å; Y92-D113 VanDerWaalsContact CD2-CA 3.42Å; Y92-D113 HydrophobicContact CD2-CB 3.83Å; Y92-D113 WeakPolarHBondContact CE1-OD1 3.3Å; Y92-D113 HydrophobicContact CE2-CB 3.45Å; Y92-D113 VanDerWaalsContact CE2-CB 3.45Å; Y92-D113 PolarHBondContact OH-OD1 2.98Å; L109-D113 PolarHBondContact O-N 2.85Å; D113-S222 WeakPolarHBondContact CB-OG 3.39Å; D113-S222 WeakPolarHBondContact OD2-CB 3.34Å; D113-S222 PolarHBondContact OD2-OG 2.04Å; D113-S238 VanDerWaalsContact C-OG 3.29Å; D113-S238 WeakPolarHBondContact CA-OG 3.38Å; D113-S238 WeakPolarHBondContact CB-OG 3.22Å; D113-S238 PolarHBondContact N-OG 3.29Å; D113-S238 VanDerWaalsContact N-OG 3.13Å; D113-S238 PolarHBondContact O-OG 3.24Å | ||
| 114 | M | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -136.7 | 141.2 | -171.8 | -165.5 | 173.7 | -72 | 0 | 0 | 111.7 | L51 A89 Y112 V220 V240 M243 F246 I247 | L51-M114 HydrophobicContact CD1-CG 3.53Å; L51-M114 HydrophobicContact CD1-SD 3.79Å; A89-M114 HydrophobicContact CB-CB 4.25Å; A89-M114 PolarHBondContact N-O 3.28Å; Y112-M114 PolarHBondContact O-N 3.14Å; M114-V220 HydrophobicContact CE-CG2 4.37Å; M114-V240 HydrophobicContact CE-CG2 4.38Å; M114-M243 HydrophobicContact CB-CE 4.25Å; M114-M243 HydrophobicContact CE-CB 3.44Å; M114-M243 VanDerWaalsContact CE-CB 3.44Å; M114-M243 HydrophobicContact CE-CG 3.56Å; M114-M243 HydrophobicContact SD-CB 3.44Å; M114-M243 WeakPolarHBondContact SD-CB 3.35Å; M114-M243 HydrophobicContact SD-CE 4.35Å; M114-M243 HydrophobicContact SD-CG 3.99Å; M114-F246 HydrophobicContact CB-CD1 4.44Å; M114-F246 HydrophobicContact CB-CE1 4.27Å; M114-F246 HydrophobicContact CG-CD1 4.11Å; M114-F246 HydrophobicContact CG-CE1 3.92Å; M114-F246 HydrophobicContact SD-CD1 3.89Å; M114-F246 HydrophobicContact SD-CE1 4.27Å; M114-I247 HydrophobicContact CE-CD1 4.13Å; M114-I247 HydrophobicContact SD-CD1 3.51Å; M114-I247 VanDerWaalsContact SD-CD1 3.51Å; M114-I247 HydrophobicContact SD-CG1 3.43Å; M114-I247 WeakPolarHBondContact SD-CG1 3.47Å | ||
| 115 | A | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | T52 V57 K87 V88 | T52-A115 HydrophobicContact CG2-CB 4.2Å; T52-A115 PolarHBondContact N-O 3.3Å; T52-A115 PolarHBondContact O-N 3.27Å; T52-A115 VanDerWaalsContact O-O 3.12Å; V57-A115 HydrophobicContact CG2-CB 3.57Å; K87-A115 CarbonylContact O-C 3.58Å; K87-A115 WeakPolarHBondContact O-CA 3.38Å; K87-A115 WeakPolarHBondContact O-CB 3.25Å; V88-A115 HydrophobicContact CG2-CB 4.27Å |
| 116 | I | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.2 | 170.4 | -57.7 | -64.3 | 0 | 0 | 0 | 108.3 | A49 V50 L51 I86 K87 F246 I247 N250 I251 | A49-I116 HydrophobicContact CB-CG2 3.98Å; V50-I116 WeakPolarHBondContact O-CA 3.34Å; L51-I116 HydrophobicContact CB-CD1 4.09Å; L51-I116 HydrophobicContact CD1-CD1 3.52Å; L51-I116 HydrophobicContact CG-CD1 4.38Å; I86-I116 WeakPolarHBondContact CA-O 3.41Å; K87-I116 PolarHBondContact N-O 3.38Å; K87-I116 PolarHBondContact O-N 3.12Å; I116-F246 HydrophobicContact CG1-CE1 3.98Å; I116-F246 HydrophobicContact CG1-CZ 4.16Å; I116-I247 HydrophobicContact CD1-CG2 4.25Å; I116-N250 HydrophobicContact CB-CB 4.45Å; I116-N250 HydrophobicContact CG1-CB 4.17Å; I116-N250 WeakPolarHBondContact CG2-O 3.5Å; I116-I251 HydrophobicContact CD1-CG2 4Å; I116-I251 HydrophobicContact CG2-CG2 4.31Å |
| 117 | I | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.5 | 170.2 | -57 | 167.4 | 0 | 0 | 0 | 107.6 | L33 A49 V50 T52 V57 I63 P83 I86 L119 | L33-I117 HydrophobicContact CD1-CD1 3.88Å; L33-I117 HydrophobicContact CD2-CD1 3.96Å; A49-I117 WeakPolarHBondContact CA-O 3.08Å; V50-I117 HydrophobicContact CB-CB 4.32Å; V50-I117 PolarHBondContact N-O 3.24Å; V50-I117 PolarHBondContact O-N 2.64Å; T52-I117 HydrophobicContact CG2-CD1 3.86Å; T52-I117 HydrophobicContact CG2-CG1 4.17Å; V57-I117 HydrophobicContact CG1-CD1 4.38Å; V57-I117 HydrophobicContact CG1-CG1 4.38Å; I63-I117 HydrophobicContact CD1-CD1 3.36Å; I63-I117 HydrophobicContact CD1-CG1 4.4Å; P83-I117 HydrophobicContact CB-CG2 3.57Å; I86-I117 HydrophobicContact CG1-CG1 4.29Å; I86-I117 HydrophobicContact CG1-CG2 4.41Å; I117-L119 HydrophobicContact CG2-CD2 4.31Å |
| 118 | T | 98.7 | Very high | 96 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.7 | 168.6 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | R48 L84 E85 | R48-T118 CarbonylContact O-C 3.53Å; R48-T118 WeakPolarHBondContact O-CA 3.45Å; L84-T118 WeakPolarHBondContact CB-O 3.12Å; L84-T118 HydrophobicContact CD2-CG2 4.45Å; L84-T118 PolarHBondContact N-O 3.45Å; E85-T118 PolarHBondContact N-O 3.45Å; E85-T118 PolarHBondContact O-N 3.1Å |
| 119 | L | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 150 | 179.4 | -56.8 | 176.7 | 0 | 0 | 0 | 111.4 | L44 R48 V50 V66 F68 H81 R82 I117 N121 V123 | L44-L119 HydrophobicContact CD1-CD1 4.42Å; R48-L119 WeakPolarHBondContact O-CB 3.13Å; R48-L119 WeakPolarHBondContact O-CG 3.42Å; R48-L119 PolarHBondContact O-N 2.9Å; V50-L119 HydrophobicContact CG2-CD1 4.22Å; V50-L119 HydrophobicContact CG2-CD2 4.31Å; V50-L119 HydrophobicContact CG2-CG 4.4Å; V66-L119 HydrophobicContact CB-CD2 3.94Å; V66-L119 HydrophobicContact CG1-CD2 3.99Å; V66-L119 HydrophobicContact CG2-CD2 3.87Å; F68-L119 HydrophobicContact CE2-CD1 3.96Å; F68-L119 HydrophobicContact CZ-CD1 4.12Å; H81-L119 HydrophobicContact CB-CD1 4.1Å; H81-L119 HydrophobicContact CB-CD2 4Å; H81-L119 HydrophobicContact CB-CG 4.43Å; R82-L119 WeakPolarHBondContact O-CA 3.43Å; I117-L119 HydrophobicContact CG2-CD2 4.31Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.37Å; L119-V123 HydrophobicContact CD1-CG2 3.61Å |
| 120 | T | 98.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -62.6 | -35.8 | 177.9 | -47.4 | 0 | 0 | 0 | 0 | 113.3 | R82 | R82-T120 PolarHBondContact O-N 3.47Å; R82-T120 PolarHBondContact O-OG1 2.64Å |
| 121 | N | 98.2 | Very high | 97.8 | Very high | 113 Ų | 113 | 48 Ų | 48 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -128.4 | 147.8 | 179.3 | -62.4 | -54.7 | 0 | 0 | 0 | 109.4 | H81 L119 | H81-N121 PolarHBondContact ND1-O 2.96Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.37Å |
| 122 | L | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 60% | 0.597 | 25% | 0.253 | S | S | * | . | trans | -58 | 140.3 | 171.8 | -56.4 | -176.1 | 0 | 0 | 0 | 110.1 | S47 R48 N124 | S47-L122 CarbonylContact O-C 3.58Å; S47-L122 WeakPolarHBondContact O-CA 3.32Å; R48-L122 HydrophobicContact CB-CD2 3.69Å; R48-L122 HydrophobicContact CG-CD2 4.44Å; L122-N124 PolarHBondContact O-N 2.98Å | ||
| 123 | V | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | trans | -70.5 | 123.7 | 169.2 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | L44 S47 F68 L119 L125 V129 | L44-V123 HydrophobicContact CD1-CG2 3.86Å; L44-V123 HydrophobicContact CD2-CB 4.14Å; L44-V123 HydrophobicContact CD2-CG1 4.01Å; L44-V123 HydrophobicContact CD2-CG2 4.06Å; S47-V123 PolarHBondContact O-N 3.3Å; F68-V123 HydrophobicContact CD2-CG2 4.36Å; F68-V123 HydrophobicContact CE2-CG2 3.71Å; F68-V123 HydrophobicContact CZ-CG2 4.21Å; L119-V123 HydrophobicContact CD1-CG2 3.61Å; V123-L125 HydrophobicContact CB-CD2 4.49Å; V123-L125 HydrophobicContact CG1-CD2 4.13Å; V123-L125 PolarHBondContact O-N 2.96Å; V123-L125 VanDerWaalsContact O-N 3.15Å; V123-V129 HydrophobicContact CG1-CB 3.74Å; V123-V129 HydrophobicContact CG1-CG1 3.56Å; V123-V129 HydrophobicContact CG1-CG2 4.16Å | ||
| 124 | N | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | trans | -74 | 103.1 | 171.7 | -177.5 | 1.5 | 0 | 0 | 0 | 109.8 | L122 E126 T127 | L122-N124 PolarHBondContact O-N 2.98Å; N124-E126 PolarHBondContact O-N 2.86Å; N124-E126 VanDerWaalsContact OD1-CB 3.3Å; N124-E126 WeakPolarHBondContact OD1-CB 3.12Å; N124-E126 WeakPolarHBondContact OD1-CG 3.39Å; N124-E126 PolarHBondContact OD1-N 2.82Å; N124-T127 HydrophobicContact CB-CG2 4.03Å; N124-T127 WeakPolarHBondContact O-CB 3.42Å; N124-T127 WeakPolarHBondContact O-CG2 3.22Å; N124-T127 PolarHBondContact O-N 3.29Å; N124-T127 PolarHBondContact O-OG1 3.01Å | ||
| 125 | L | 97.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 42% | 0.419 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -68.2 | -17.2 | -178 | -56.3 | -178.2 | 0 | 0 | 0 | 113.4 | L44 V123 T127 G128 V129 V131 | L44-L125 HydrophobicContact CD2-CD2 4.27Å; V123-L125 HydrophobicContact CB-CD2 4.49Å; V123-L125 HydrophobicContact CG1-CD2 4.13Å; V123-L125 PolarHBondContact O-N 2.96Å; V123-L125 VanDerWaalsContact O-N 3.15Å; L125-T127 PolarHBondContact O-N 2.89Å; L125-G128 PolarHBondContact O-N 2.78Å; L125-G128 VanDerWaalsContact O-N 3.16Å; L125-V129 WeakPolarHBondContact CD2-O 3.47Å; L125-V131 HydrophobicContact CD1-CG2 4.37Å; L125-V131 HydrophobicContact CD2-CG2 4.17Å |
| 126 | E | 96.8 | Very high | 98.1 | Very high | 180 Ų | 180 | 52.9 Ų | 52.9 | 84% | 0.841 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -66.1 | -18 | 174.6 | -58.9 | 179.4 | 163.7 | 0 | 0 | 112.5 | N124 G128 | N124-E126 PolarHBondContact O-N 2.86Å; N124-E126 VanDerWaalsContact OD1-CB 3.3Å; N124-E126 WeakPolarHBondContact OD1-CB 3.12Å; N124-E126 WeakPolarHBondContact OD1-CG 3.39Å; N124-E126 PolarHBondContact OD1-N 2.82Å; E126-G128 PolarHBondContact O-N 2.88Å |
| 127 | T | 95.7 | Very high | 98 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -72.6 | -7.6 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | I79 N124 L125 V129 | I79-T127 VanDerWaalsContact CD1-CB 3.42Å; I79-T127 HydrophobicContact CD1-CG2 3.9Å; I79-T127 VanDerWaalsContact CD1-OG1 3.25Å; I79-T127 WeakPolarHBondContact CD1-OG1 3.22Å; N124-T127 HydrophobicContact CB-CG2 4.03Å; N124-T127 WeakPolarHBondContact O-CB 3.42Å; N124-T127 WeakPolarHBondContact O-CG2 3.22Å; N124-T127 PolarHBondContact O-N 3.29Å; N124-T127 PolarHBondContact O-OG1 3.01Å; L125-T127 PolarHBondContact O-N 2.89Å; T127-V129 WeakPolarHBondContact OG1-CG2 2.99Å |
| 128 | G | 96.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 97.8 | -7.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P28 L125 E126 | P28-G128 WeakPolarHBondContact CB-O 3.21Å; L125-G128 PolarHBondContact O-N 2.78Å; L125-G128 VanDerWaalsContact O-N 3.16Å; E126-G128 PolarHBondContact O-N 2.88Å |
| 129 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | trans | -63.3 | 138.8 | 166.9 | -174.3 | 0 | 0 | 0 | 0 | 109 | P28 L44 F68 L69 I79 V123 L125 T127 | P28-V129 WeakPolarHBondContact O-CA 3.43Å; P28-V129 VanDerWaalsContact O-CG1 3.31Å; P28-V129 WeakPolarHBondContact O-CG1 3.46Å; L44-V129 HydrophobicContact CD2-CG1 3.59Å; F68-V129 HydrophobicContact CB-CG1 4.13Å; F68-V129 HydrophobicContact CB-CG2 3.71Å; F68-V129 HydrophobicContact CD1-CG1 3.97Å; F68-V129 HydrophobicContact CG-CG1 3.95Å; F68-V129 HydrophobicContact CG-CG2 4.29Å; L69-V129 HydrophobicContact CD1-CG2 4.01Å; L69-V129 HydrophobicContact CD2-CG2 4.29Å; L69-V129 HydrophobicContact CG-CG2 3.84Å; I79-V129 HydrophobicContact CD1-CG2 3.91Å; V123-V129 HydrophobicContact CG1-CB 3.74Å; V123-V129 HydrophobicContact CG1-CG1 3.56Å; V123-V129 HydrophobicContact CG1-CG2 4.16Å; L125-V129 WeakPolarHBondContact CD2-O 3.47Å; T127-V129 WeakPolarHBondContact OG1-CG2 2.99Å | ||
| 130 | K | 98.2 | Very high | 97.7 | Very high | 133 Ų | 133 | 72 Ų | 72 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | trans | -125.7 | 153.5 | 179.2 | -58 | -172.1 | 179 | 179.9 | 0 | 111.6 | P28 F29 | P28-K130 HydrophobicContact CB-CB 4.3Å; P28-K130 HydrophobicContact CB-CG 4.1Å; P28-K130 HydrophobicContact CG-CB 3.87Å; P28-K130 HydrophobicContact CG-CD 3.78Å; P28-K130 HydrophobicContact CG-CG 3.7Å; P28-K130 PolarHBondContact O-N 3.37Å; P28-K130 VanDerWaalsContact O-N 3.12Å; F29-K130 WeakPolarHBondContact CA-O 3.04Å; F29-K130 WeakPolarHBondContact CB-O 3.38Å | ||
| 131 | V | 98.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 131.9 | 169 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | L44 V45 L125 | L44-V131 HydrophobicContact CD2-CG2 4.06Å; L44-V131 HydrophobicContact CG-CG2 4.21Å; L44-V131 WeakPolarHBondContact O-CA 3.46Å; V45-V131 VanDerWaalsContact O-CG1 3.3Å; V45-V131 WeakPolarHBondContact O-CG1 3.38Å; L125-V131 HydrophobicContact CD1-CG2 4.37Å; L125-V131 HydrophobicContact CD2-CG2 4.17Å |
| 132 | I | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 142.3 | 170.5 | -171.7 | 159.5 | 0 | 0 | 0 | 111 | F29 L44 V45 L210 I217 | F29-I132 HydrophobicContact CB-CB 3.89Å; F29-I132 HydrophobicContact CB-CG2 4.18Å; F29-I132 HydrophobicContact CD1-CB 4.1Å; F29-I132 HydrophobicContact CD1-CD1 4.26Å; F29-I132 HydrophobicContact CD2-CB 4.01Å; F29-I132 HydrophobicContact CD2-CD1 3.83Å; F29-I132 HydrophobicContact CD2-CG2 4.17Å; F29-I132 HydrophobicContact CE1-CD1 4.01Å; F29-I132 HydrophobicContact CE2-CD1 3.55Å; F29-I132 HydrophobicContact CG-CB 3.74Å; F29-I132 HydrophobicContact CG-CD1 4.17Å; F29-I132 HydrophobicContact CG-CG1 4.48Å; F29-I132 HydrophobicContact CG-CG2 4.24Å; F29-I132 HydrophobicContact CZ-CD1 3.65Å; L44-I132 WeakPolarHBondContact O-CG2 3.38Å; L44-I132 PolarHBondContact O-N 3.23Å; V45-I132 HydrophobicContact CG1-CG2 4.13Å; I132-L210 HydrophobicContact CD1-CD2 3.29Å; I132-I217 HydrophobicContact CD1-CB 4.28Å; I132-I217 HydrophobicContact CG2-CG2 4.27Å |
| 133 | S | 98.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 68.7 Ų | 68.7 | 49% | 0.49 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -73 | 144 | 174.1 | 51.8 | 0 | 0 | 0 | 0 | 112 | P216 I217 | S133-P216 CarbonylContact O-C 3.54Å; S133-P216 VanDerWaalsContact O-CA 3.27Å; S133-P216 WeakPolarHBondContact O-CA 3.37Å; S133-P216 VanDerWaalsContact O-CB 3.3Å; S133-P216 WeakPolarHBondContact O-CB 3.21Å; S133-I217 PolarHBondContact O-N 2.83Å |
| 134 | L | 98.8 | Very high | 97 | Very high | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 141.5 | 171.3 | -58.8 | 176 | 0 | 0 | 0 | 110.2 | V45 L51 I217 V240 L244 I247 L248 I251 | V45-L134 HydrophobicContact CB-CD2 4.02Å; V45-L134 HydrophobicContact CG1-CD2 3.64Å; L51-L134 HydrophobicContact CD2-CD2 4.14Å; L134-I217 HydrophobicContact CD2-CG2 3.79Å; L134-V240 HydrophobicContact CB-CG1 4.17Å; L134-V240 HydrophobicContact CD2-CG1 3.99Å; L134-L244 HydrophobicContact CB-CD2 4.29Å; L134-L244 HydrophobicContact CD1-CD2 4.17Å; L134-I247 HydrophobicContact CD1-CG2 3.55Å; L134-I247 HydrophobicContact CD2-CG2 4.25Å; L134-L248 HydrophobicContact CD1-CD2 3.85Å; L134-I251 HydrophobicContact CD1-CD1 4.08Å |
| 135 | A | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 143.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D139 P216 I217 V218 P241 | A135-D139 HydrophobicContact CB-CB 3.73Å; A135-P216 HydrophobicContact CB-CB 4.12Å; A135-P216 HydrophobicContact CB-CG 4.07Å; A135-I217 WeakPolarHBondContact CB-O 3.42Å; A135-I217 PolarHBondContact N-O 3.05Å; A135-V218 HydrophobicContact CB-CB 4.2Å; A135-V218 HydrophobicContact CB-CG1 3.41Å; A135-V218 VanDerWaalsContact CB-CG1 3.41Å; A135-P241 HydrophobicContact CB-CG 3.72Å |
| 136 | T | 98.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 171.8 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | L138 D139 P241 | T136-L138 PolarHBondContact O-N 2.81Å; T136-L138 VanDerWaalsContact O-N 3.08Å; T136-L138 PolarHBondContact OG1-N 2.91Å; T136-D139 WeakPolarHBondContact CB-OD2 3.47Å; T136-D139 PolarHBondContact N-OD2 2.89Å; T136-D139 WeakPolarHBondContact O-CB 3.44Å; T136-D139 PolarHBondContact O-N 3.4Å; T136-D139 PolarHBondContact OG1-OD2 3.3Å; T136-P241 VanDerWaalsContact O-CB 3.28Å; T136-P241 WeakPolarHBondContact O-CB 3.33Å; T136-P241 VanDerWaalsContact O-CG 3.3Å; T136-P241 WeakPolarHBondContact O-CG 2.99Å |
| 137 | E | 96.4 | Very high | 96.6 | Very high | 137 Ų | 137 | 62.1 Ų | 62.1 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -57.9 | -21 | 174.2 | -63.6 | -176.1 | 175.8 | 0 | 0 | 113.6 | L244 | E137-L244 HydrophobicContact CG-CD1 4.29Š|
| 138 | L | 96.4 | Very high | 96.5 | Very high | 164 Ų | 164 | 63.4 Ų | 63.4 | 86% | 0.859 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -82.6 | -14.5 | 176.3 | -59.5 | 177.6 | 0 | 0 | 0 | 113.4 | T136 | T136-L138 PolarHBondContact O-N 2.81Å; T136-L138 VanDerWaalsContact O-N 3.08Å; T136-L138 PolarHBondContact OG1-N 2.91Å |
| 139 | D | 97 | Very high | 96.4 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -95.3 | 11.8 | -173.9 | -65.5 | -52 | 0 | 0 | 0 | 112.5 | A135 T136 P141 L211 V218 | A135-D139 HydrophobicContact CB-CB 3.73Å; T136-D139 WeakPolarHBondContact CB-OD2 3.47Å; T136-D139 PolarHBondContact N-OD2 2.89Å; T136-D139 WeakPolarHBondContact O-CB 3.44Å; T136-D139 PolarHBondContact O-N 3.4Å; T136-D139 PolarHBondContact OG1-OD2 3.3Å; D139-P141 VanDerWaalsContact O-CD 3.31Å; D139-P141 WeakPolarHBondContact O-CD 3.4Å; D139-P141 VanDerWaalsContact O-N 3.15Å; D139-L211 HydrophobicContact CB-CD1 3.91Å; D139-V218 HydrophobicContact CB-CG1 4.44Å; D139-V218 WeakPolarHBondContact O-CG1 3.09Å |
| 140 | I | 95.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 117.6 | 174.5 | -62.4 | 174.5 | 0 | 0 | 0 | 108 | P241 R242 | I140-P241 HydrophobicContact CD1-CB 4.29Å; I140-P241 HydrophobicContact CG1-CB 3.65Å; I140-P241 HydrophobicContact CG1-CG 3.99Å; I140-R242 HydrophobicContact CD1-CG 4.3Å |
| 141 | P | 95.6 | Very high | 96 | Very high | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 140.2 | -172.2 | 30.3 | -36.2 | 0 | 0 | 0 | 111.4 | D139 I176 I188 L211 | D139-P141 VanDerWaalsContact O-CD 3.31Å; D139-P141 WeakPolarHBondContact O-CD 3.4Å; D139-P141 VanDerWaalsContact O-N 3.15Å; P141-I176 HydrophobicContact CB-CD1 4.37Å; P141-I176 HydrophobicContact CB-CG1 3.96Å; P141-I176 HydrophobicContact CB-CG2 4.49Å; P141-I176 HydrophobicContact CG-CD1 4.08Å; P141-I176 HydrophobicContact CG-CG1 4.17Å; P141-I176 HydrophobicContact CG-CG2 4.4Å; P141-I188 HydrophobicContact CG-CD1 4.01Å; P141-I188 HydrophobicContact CG-CG1 4.47Å; P141-I188 HydrophobicContact CG-CG2 4.2Å; P141-L211 HydrophobicContact CB-CD2 4.07Å |
| 142 | I | 94.5 | Very high | 95.7 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 66% | 0.662 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 152.4 | 176.7 | 61.5 | 172.5 | 0 | 0 | 0 | 111.3 | S145 | I142-S145 VanDerWaalsContact O-CB 3.31Å; I142-S145 WeakPolarHBondContact O-CB 3.4Å; I142-S145 PolarHBondContact O-N 2.82Å; I142-S145 PolarHBondContact O-OG 3.01Å |
| 143 | P | 94.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 148.4 | 172.3 | -27.7 | 35.9 | 0 | 0 | 0 | 113.3 | S145 | P143-S145 PolarHBondContact O-N 2.86Š|
| 144 | E | 94.6 | Very high | 94.3 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -2.8 | -175.3 | -53 | -58.3 | 141.8 | 0 | 0 | 116 | I176 K191 | E144-I176 WeakPolarHBondContact CA-O 3.21Å; E144-I176 PolarHBondContact N-O 2.97Å; E144-K191 IonicContact OE1-NZ 2.69Å; E144-K191 PolarHBondContact OE1-NZ 3.28Å; E144-K191 IonicContact OE2-NZ 2.78Å; E144-K191 PolarHBondContact OE2-NZ 2.85Å |
| 145 | S | 95.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | trans | -65.1 | 152.4 | 168.1 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | I142 P143 T175 I176 | I142-S145 VanDerWaalsContact O-CB 3.31Å; I142-S145 WeakPolarHBondContact O-CB 3.4Å; I142-S145 PolarHBondContact O-N 2.82Å; I142-S145 PolarHBondContact O-OG 3.01Å; P143-S145 PolarHBondContact O-N 2.86Å; S145-T175 WeakPolarHBondContact O-CA 3.42Å; S145-I176 WeakPolarHBondContact O-CG1 3.43Å; S145-I176 PolarHBondContact O-N 3.02Å; S145-I176 WeakPolarHBondContact OG-CG1 3.34Å | ||
| 146 | I | 94 | Very high | 91.2 | Very high | 66 Ų | 66 | 57 Ų | 57 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.4 | 174.6 | -57.3 | -55.1 | 0 | 0 | 0 | 109.1 | A174 T175 P194 | I146-A174 WeakPolarHBondContact CA-O 3.12Å; I146-T175 WeakPolarHBondContact CD1-OG1 3.13Å; I146-P194 VanDerWaalsContact CD1-CD 3.49Å; I146-P194 HydrophobicContact CD1-CG 3.87Å |
| 147 | A | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 156.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S173 A174 I176 L209 L210 | A147-S173 CarbonylContact O-C 3.5Å; A147-S173 VanDerWaalsContact O-CA 3.3Å; A147-S173 WeakPolarHBondContact O-CA 3.35Å; A147-A174 PolarHBondContact N-O 2.02Å; A147-A174 PolarHBondContact O-N 2.79Å; A147-I176 HydrophobicContact CB-CD1 3.73Å; A147-I176 HydrophobicContact CB-CG1 4.28Å; A147-L209 HydrophobicContact CB-CD1 3.59Å; A147-L209 HydrophobicContact CB-CD2 4.27Å; A147-L209 HydrophobicContact CB-CG 3.78Å; A147-L210 WeakPolarHBondContact CA-O 3.43Å |
| 148 | Y | 94.2 | Very high | 87.4 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.1 | -176.7 | -57.3 | -95.4 | 0 | 0 | 0 | 110.1 | G172 L209 L210 P213 | Y148-G172 WeakPolarHBondContact CA-O 3.27Å; Y148-L209 CarbonylContact O-C 3.48Å; Y148-L209 WeakPolarHBondContact O-CA 3.34Å; Y148-L210 PolarHBondContact N-O 3.24Å; Y148-L210 PolarHBondContact O-N 3.09Å; Y148-P213 HydrophobicContact CD1-CG 3.84Å; Y148-P213 HydrophobicContact CD2-CG 4.28Å; Y148-P213 HydrophobicContact CE1-CG 3.84Å; Y148-P213 HydrophobicContact CE2-CG 4.31Å; Y148-P213 HydrophobicContact CG-CG 4.05Å |
| 149 | M | 93.3 | Very high | 85.6 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.7 | 177.2 | 65.8 | -178.7 | 75.3 | 0 | 0 | 109.8 | K171 G172 A174 | M149-K171 CarbonylContact O-C 3.57Å; M149-K171 WeakPolarHBondContact O-CA 3.44Å; M149-G172 PolarHBondContact N-O 3.1Å; M149-G172 PolarHBondContact O-N 3.41Å; M149-A174 HydrophobicContact CE-CB 3.16Å |
| 150 | V | 94.2 | Very high | 83.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.2 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 109.1 | F27 I30 L169 K170 P208 L210 | F27-V150 HydrophobicContact CB-CG2 4.21Å; F27-V150 HydrophobicContact CD1-CB 4.24Å; F27-V150 HydrophobicContact CD1-CG1 3.9Å; F27-V150 HydrophobicContact CD1-CG2 4.25Å; F27-V150 HydrophobicContact CD2-CG2 4.14Å; F27-V150 HydrophobicContact CE1-CB 4.42Å; F27-V150 HydrophobicContact CE1-CG1 4.3Å; F27-V150 HydrophobicContact CG-CB 4.42Å; F27-V150 HydrophobicContact CG-CG1 4.36Å; F27-V150 HydrophobicContact CG-CG2 3.93Å; I30-V150 HydrophobicContact CD1-CB 4.44Å; I30-V150 HydrophobicContact CD1-CG1 3.41Å; I30-V150 VanDerWaalsContact CD1-CG1 3.41Å; I30-V150 HydrophobicContact CD1-CG2 4.27Å; I30-V150 HydrophobicContact CG1-CG1 3.89Å; I30-V150 HydrophobicContact CG1-CG2 3.97Å; V150-L169 HydrophobicContact CG2-CD1 3.59Å; V150-L169 HydrophobicContact CG2-CG 4.22Å; V150-K170 VanDerWaalsContact CA-O 3.27Å; V150-K170 WeakPolarHBondContact CA-O 3.45Å; V150-K170 WeakPolarHBondContact CG2-O 3.42Å; V150-P208 HydrophobicContact CG1-CG 3.68Å; V150-P208 WeakPolarHBondContact O-CD 3.43Å; V150-L210 HydrophobicContact CG1-CD1 4.17Å |
| 151 | G | 94.7 | Very high | 81.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T41 K170 D204 | T41-G151 WeakPolarHBondContact OG1-CA 3.3Å; G151-K170 PolarHBondContact N-O 2.81Å; G151-K170 PolarHBondContact O-N 2.77Å; G151-D204 VanDerWaalsContact C-OD1 3.25Å; G151-D204 VanDerWaalsContact CA-OD1 3.31Å; G151-D204 WeakPolarHBondContact CA-OD1 3.02Å |
| 152 | Y | 92.5 | Very high | 79.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | trans | -105.6 | 16.4 | -175.8 | -59.8 | -88.6 | 0 | 0 | 0 | 113 | I30 L32 M39 T41 S70 G167 L169 D204 | I30-Y152 HydrophobicContact CG2-CE2 3.65Å; L32-Y152 HydrophobicContact CB-CD2 4.11Å; L32-Y152 HydrophobicContact CB-CE1 4.22Å; L32-Y152 HydrophobicContact CB-CE2 3.57Å; L32-Y152 HydrophobicContact CD1-CD1 4.13Å; L32-Y152 HydrophobicContact CD1-CD2 3.7Å; L32-Y152 HydrophobicContact CD1-CE1 4.45Å; L32-Y152 HydrophobicContact CD1-CE2 4.07Å; L32-Y152 HydrophobicContact CD1-CG 3.74Å; L32-Y152 HydrophobicContact CG-CE2 4.4Å; M39-Y152 WeakPolarHBondContact CE-O 3.35Å; T41-Y152 HydrophobicContact CG2-CD2 4.2Å; T41-Y152 HydrophobicContact CG2-CE2 4.4Å; T41-Y152 PolarHBondContact OG1-N 2.64Å; S70-Y152 WeakPolarHBondContact O-CE1 3.31Å; S70-Y152 PolarHBondContact O-OH 2.8Å; Y152-G167 PolarHBondContact O-N 2.89Å; Y152-L169 HydrophobicContact CD1-CB 4.04Å; Y152-L169 HydrophobicContact CD1-CD1 4.31Å; Y152-L169 HydrophobicContact CD2-CD1 4.34Å; Y152-L169 HydrophobicContact CE1-CB 3.64Å; Y152-L169 HydrophobicContact CE1-CD1 3.94Å; Y152-L169 HydrophobicContact CE1-CG 4.29Å; Y152-L169 HydrophobicContact CE2-CD1 3.95Å; Y152-D204 PolarHBondContact N-OD1 3.49Å | ||
| 153 | G | 87.5 | Confident | 77.8 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -59.5 | 161.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P202 D204 | G153-P202 CarbonylContact C-O 3.47Å; G153-P202 WeakPolarHBondContact CA-O 3.41Å; G153-D204 VanDerWaalsContact CA-CG 3.47Å; G153-D204 VanDerWaalsContact CA-OD1 3.29Å; G153-D204 WeakPolarHBondContact CA-OD1 3.47Å; G153-D204 PolarHBondContact N-OD1 2.97Å | ||
| 154 | Q | 79.3 | Confident | 76.3 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | trans | -66.9 | 138.9 | 178.9 | -69 | 177.1 | 4.3 | 0 | 0 | 112.9 | V14 Y165 P202 | V14-Q154 HydrophobicContact CG1-CB 4.31Å; V14-Q154 WeakPolarHBondContact CG1-O 3.48Å; Q154-Y165 CarbonylContact C-O 3.51Å; Q154-Y165 VanDerWaalsContact CA-O 3.32Å; Q154-Y165 WeakPolarHBondContact CA-O 3.32Å; Q154-P202 PolarHBondContact N-O 2.9Å | ||
| 155 | D | 69.8 | Low | 74.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | trans | -130.4 | 103.9 | 172.5 | -169.9 | -20.3 | 0 | 0 | 0 | 109.5 | A16 R157 D158 Y165 K170 | A16-D155 HydrophobicContact CB-CB 3.73Å; A16-D155 VanDerWaalsContact O-OD2 3.1Å; D155-R157 PolarHBondContact O-N 3.01Å; D155-R157 WeakPolarHBondContact OD1-CB 3.32Å; D155-R157 PolarHBondContact OD1-N 3.19Å; D155-D158 PolarHBondContact O-N 2.75Å; D155-D158 PolarHBondContact OD1-N 3.43Å; D155-Y165 PolarHBondContact N-O 3.17Å; D155-Y165 WeakPolarHBondContact O-CD1 3.34Å; D155-K170 HydrophobicContact CB-CD 4.46Å; D155-K170 IonicContact OD2-NZ 3.09Å; D155-K170 PolarHBondContact OD2-NZ 3.47Å | ||
| 156 | I | 62.8 | Low | 74.1 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18 | 178.1 | 54.5 | 166.2 | 0 | 0 | 0 | 113.9 | V14 Y165 | V14-I156 HydrophobicContact CB-CB 4.48Å; V14-I156 HydrophobicContact CB-CD1 4.19Å; V14-I156 HydrophobicContact CB-CG1 4Å; V14-I156 HydrophobicContact CB-CG2 3.81Å; V14-I156 HydrophobicContact CG1-CB 4.31Å; V14-I156 HydrophobicContact CG1-CG1 4.07Å; V14-I156 HydrophobicContact CG1-CG2 3.74Å; V14-I156 HydrophobicContact CG2-CG2 4.16Å; V14-I156 VanDerWaalsContact O-CD1 3.23Å; V14-I156 WeakPolarHBondContact O-CD1 3.39Å; V14-I156 WeakPolarHBondContact O-CG1 2.89Å; I156-Y165 VanDerWaalsContact CA-CD1 3.43Å; I156-Y165 HydrophobicContact CB-CD1 4.31Å; I156-Y165 HydrophobicContact CG2-CD1 4.37Å; I156-Y165 HydrophobicContact CG2-CG 4.37Å; I156-Y165 WeakPolarHBondContact O-CE1 3.14Å |
| 157 | R | 58.7 | Low | 73.7 | Confident | 113 Ų | 113 | 49.7 Ų | 49.7 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.1 | -176.7 | -66.5 | -174.3 | -71.5 | -141 | -5.4 | 113 | Q15 A16 D155 | Q15-R157 VanDerWaalsContact CD-NH1 3.27Å; A16-R157 PolarHBondContact O-NE 2.87Å; A16-R157 PolarHBondContact O-NH2 2.85Å; D155-R157 PolarHBondContact O-N 3.01Å; D155-R157 WeakPolarHBondContact OD1-CB 3.32Å; D155-R157 PolarHBondContact OD1-N 3.19Å |
| 158 | D | 56.3 | Low | 73.4 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -139.7 | 75.6 | -175 | 179.4 | 37.4 | 0 | 0 | 0 | 109 | D155 K170 | D155-D158 PolarHBondContact O-N 2.75Å; D155-D158 PolarHBondContact OD1-N 3.43Å; D158-K170 VanDerWaalsContact OD2-CE 3.28Å; D158-K170 WeakPolarHBondContact OD2-CE 3.4Å; D158-K170 IonicContact OD2-NZ 3.64Å; D158-K170 PolarHBondContact OD2-NZ 2.94Å |
| 159 | P | 57.2 | Low | 73.3 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | trans | -65 | 146.5 | 171.8 | 29.3 | -33.4 | 0 | 0 | 0 | 110 | R164 Y165 | P159-R164 CarbonylContact C-O 3.53Å; P159-R164 VanDerWaalsContact CA-O 3.3Å; P159-R164 WeakPolarHBondContact CA-O 3.2Å; P159-Y165 HydrophobicContact CB-CD1 4Å; P159-Y165 HydrophobicContact CB-CE1 4.11Å | ||
| 160 | D | 57.3 | Low | 73.2 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | trans | -58.7 | 166.8 | 165.7 | 91.9 | -29.9 | 0 | 0 | 0 | 110.5 | F74 S162 G163 R164 I168 | F74-D160 VanDerWaalsContact CE2-OD2 3.28Å; F74-D160 WeakPolarHBondContact CE2-OD2 3.46Å; D160-S162 PolarHBondContact O-N 2.83Å; D160-S162 WeakPolarHBondContact OD1-CA 3.49Å; D160-S162 WeakPolarHBondContact OD1-CB 3.42Å; D160-S162 PolarHBondContact OD1-N 2.95Å; D160-S162 WeakPolarHBondContact OD2-CB 3.35Å; D160-S162 PolarHBondContact OD2-OG 2.84Å; D160-G163 PolarHBondContact O-N 3.23Å; D160-G163 PolarHBondContact OD1-N 2.84Å; D160-R164 PolarHBondContact N-O 2.87Å; D160-R164 WeakPolarHBondContact OD1-CA 3.5Å; D160-R164 WeakPolarHBondContact OD1-CB 3.49Å; D160-R164 PolarHBondContact OD1-N 2.88Å; D160-I168 HydrophobicContact CB-CD1 3.91Å; D160-I168 HydrophobicContact CB-CG1 4.37Å | ||
| 161 | P | 52.8 | Low | 73.1 | Confident | 142 Ų | 142 | 49 Ų | 49 | 92% | 0.922 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.6 | 177.3 | -26.2 | 35.5 | 0 | 0 | 0 | 114.7 | ||
| 162 | S | 54.1 | Low | 72.8 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 58% | 0.58 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.1 | 177.4 | -33.2 | 0 | 0 | 0 | 0 | 113.2 | D160 | D160-S162 PolarHBondContact O-N 2.83Å; D160-S162 WeakPolarHBondContact OD1-CA 3.49Å; D160-S162 WeakPolarHBondContact OD1-CB 3.42Å; D160-S162 PolarHBondContact OD1-N 2.95Å; D160-S162 WeakPolarHBondContact OD2-CB 3.35Å; D160-S162 PolarHBondContact OD2-OG 2.84Å |
| 163 | G | 55.5 | Low | 72.7 | Confident | 46 Ų | 46 | 51 Ų | 51 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 82.5 | 9.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D160 | D160-G163 PolarHBondContact O-N 3.23Å; D160-G163 PolarHBondContact OD1-N 2.84Å |
| 164 | R | 62.7 | Low | 72.9 | Confident | 123 Ų | 123 | 50.7 Ų | 50.7 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | trans | -85.7 | 132.8 | 176.6 | -62.4 | -177.3 | 177.9 | -163.8 | 0.5 | 109.9 | E73 F74 P159 D160 G166 | E73-R164 VanDerWaalsContact CD-NH1 3.3Å; E73-R164 WeakPolarHBondContact OE1-CD 3.39Å; E73-R164 IonicContact OE1-CZ 3.77Å; E73-R164 IonicContact OE1-NE 2.82Å; E73-R164 IonicContact OE1-NH1 3.54Å; E73-R164 PolarHBondContact OE1-NH1 2.87Å; E73-R164 IonicContact OE2-NH1 3.25Å; E73-R164 PolarHBondContact OE2-NH1 2.85Å; F74-R164 VanDerWaalsContact CZ-CZ 3.5Å; F74-R164 VanDerWaalsContact CZ-NH1 3.3Å; P159-R164 CarbonylContact C-O 3.53Å; P159-R164 VanDerWaalsContact CA-O 3.3Å; P159-R164 WeakPolarHBondContact CA-O 3.2Å; D160-R164 PolarHBondContact N-O 2.87Å; D160-R164 WeakPolarHBondContact OD1-CA 3.5Å; D160-R164 WeakPolarHBondContact OD1-CB 3.49Å; D160-R164 PolarHBondContact OD1-N 2.88Å; R164-G166 VanDerWaalsContact C-N 3.32Å; R164-G166 PolarHBondContact O-N 2.83Å | ||
| 165 | Y | 64.9 | Low | 73.5 | Confident | 117 Ų | 117 | 47.4 Ų | 47.4 | 46% | 0.459 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78.3 | -12.7 | -176.6 | -60.8 | -69.1 | 0 | 0 | 0 | 113.9 | Q154 D155 I156 P159 | Q154-Y165 CarbonylContact C-O 3.51Å; Q154-Y165 VanDerWaalsContact CA-O 3.32Å; Q154-Y165 WeakPolarHBondContact CA-O 3.32Å; D155-Y165 PolarHBondContact N-O 3.17Å; D155-Y165 WeakPolarHBondContact O-CD1 3.34Å; I156-Y165 VanDerWaalsContact CA-CD1 3.43Å; I156-Y165 HydrophobicContact CB-CD1 4.31Å; I156-Y165 HydrophobicContact CG2-CD1 4.37Å; I156-Y165 HydrophobicContact CG2-CG 4.37Å; I156-Y165 WeakPolarHBondContact O-CE1 3.14Å; P159-Y165 HydrophobicContact CB-CD1 4Å; P159-Y165 HydrophobicContact CB-CE1 4.11Å |
| 166 | G | 79.9 | Confident | 74.8 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | -129.3 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R164 | R164-G166 VanDerWaalsContact C-N 3.32Å; R164-G166 PolarHBondContact O-N 2.83Å | ||
| 167 | G | 85.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | 90.1 | 11.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S72 E73 Y152 | S72-G167 CarbonylContact C-O 3.54Å; S72-G167 VanDerWaalsContact C-O 3.25Å; S72-G167 WeakPolarHBondContact CA-O 3.29Å; S72-G167 VanDerWaalsContact CB-O 3.24Å; S72-G167 WeakPolarHBondContact CB-O 3.49Å; E73-G167 PolarHBondContact N-O 3.22Å; Y152-G167 PolarHBondContact O-N 2.89Å | ||
| 168 | I | 89.4 | Confident | 77.9 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.195 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -104.9 | 132.4 | 166.3 | -63.5 | 171.5 | 0 | 0 | 0 | 107.7 | P20 D160 K170 | P20-I168 HydrophobicContact CB-CG2 4.28Å; D160-I168 HydrophobicContact CB-CD1 3.91Å; D160-I168 HydrophobicContact CB-CG1 4.37Å; I168-K170 HydrophobicContact CG2-CG 4.39Å; I168-K170 PolarHBondContact O-N 2.6Å |
| 169 | L | 92 | Very high | 79.5 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -68.4 | 118 | 177.4 | -174.5 | 61.9 | 0 | 0 | 0 | 109.9 | V21 I30 L71 V150 Y152 | V21-L169 HydrophobicContact CB-CB 4.38Å; V21-L169 HydrophobicContact CB-CD2 4.02Å; V21-L169 HydrophobicContact CB-CG 4.02Å; V21-L169 HydrophobicContact CG1-CD2 4.07Å; V21-L169 HydrophobicContact CG2-CD2 4.1Å; V21-L169 HydrophobicContact CG2-CG 3.84Å; V21-L169 PolarHBondContact N-O 2.77Å; I30-L169 HydrophobicContact CG2-CD1 3.84Å; L71-L169 HydrophobicContact CD2-CD2 4.42Å; L71-L169 PolarHBondContact O-N 3.22Å; V150-L169 HydrophobicContact CG2-CD1 3.59Å; V150-L169 HydrophobicContact CG2-CG 4.22Å; Y152-L169 HydrophobicContact CD1-CB 4.04Å; Y152-L169 HydrophobicContact CD1-CD1 4.31Å; Y152-L169 HydrophobicContact CD2-CD1 4.34Å; Y152-L169 HydrophobicContact CE1-CB 3.64Å; Y152-L169 HydrophobicContact CE1-CD1 3.94Å; Y152-L169 HydrophobicContact CE1-CG 4.29Å; Y152-L169 HydrophobicContact CE2-CD1 3.95Å | ||
| 170 | K | 91.1 | Very high | 81.1 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 152 | -179.3 | -72.3 | 175.7 | 175.2 | 178.1 | 0 | 110.8 | E19 V150 G151 D155 D158 I168 | E19-K170 VanDerWaalsContact O-CA 3.31Å; E19-K170 WeakPolarHBondContact O-CA 3.19Å; V150-K170 VanDerWaalsContact CA-O 3.27Å; V150-K170 WeakPolarHBondContact CA-O 3.45Å; V150-K170 WeakPolarHBondContact CG2-O 3.42Å; G151-K170 PolarHBondContact N-O 2.81Å; G151-K170 PolarHBondContact O-N 2.77Å; D155-K170 HydrophobicContact CB-CD 4.46Å; D155-K170 IonicContact OD2-NZ 3.09Å; D155-K170 PolarHBondContact OD2-NZ 3.47Å; D158-K170 VanDerWaalsContact OD2-CE 3.28Å; D158-K170 WeakPolarHBondContact OD2-CE 3.4Å; D158-K170 IonicContact OD2-NZ 3.64Å; D158-K170 PolarHBondContact OD2-NZ 2.94Å; I168-K170 HydrophobicContact CG2-CG 4.39Å; I168-K170 PolarHBondContact O-N 2.6Å |
| 171 | K | 91 | Very high | 82.6 | Confident | 38 Ų | 38 | 47 Ų | 47 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.1 | 175.9 | 71.1 | -166.9 | 178.7 | -163.6 | 0 | 111.1 | G18 E19 V21 E26 F27 M149 | G18-K171 CarbonylContact C-O 3.25Å; G18-K171 VanDerWaalsContact CA-O 3.26Å; G18-K171 WeakPolarHBondContact CA-O 3.43Å; E19-K171 HydrophobicContact CB-CG 4.17Å; E19-K171 PolarHBondContact N-O 2.81Å; E19-K171 PolarHBondContact O-N 2.94Å; E19-K171 WeakPolarHBondContact OE1-CE 3.28Å; E19-K171 IonicContact OE1-NZ 3.72Å; E19-K171 PolarHBondContact OE1-NZ 3.44Å; E19-K171 VanDerWaalsContact OE1-NZ 3.13Å; E19-K171 WeakPolarHBondContact OE2-CE 3.19Å; E19-K171 IonicContact OE2-NZ 3.96Å; V21-K171 HydrophobicContact CG2-CB 4.14Å; V21-K171 HydrophobicContact CG2-CD 4.19Å; V21-K171 HydrophobicContact CG2-CG 4.37Å; E26-K171 VanDerWaalsContact CD-NZ 3.34Å; E26-K171 WeakPolarHBondContact OE1-CD 3.34Å; E26-K171 IonicContact OE1-NZ 2.71Å; E26-K171 PolarHBondContact OE1-NZ 2.81Å; E26-K171 IonicContact OE2-NZ 2.78Å; E26-K171 PolarHBondContact OE2-NZ 3.45Å; F27-K171 HydrophobicContact CE2-CB 3.89Å; F27-K171 HydrophobicContact CE2-CD 3.59Å; F27-K171 HydrophobicContact CE2-CG 4.35Å; F27-K171 HydrophobicContact CZ-CB 3.99Å; F27-K171 HydrophobicContact CZ-CD 3.98Å; M149-K171 CarbonylContact O-C 3.57Å; M149-K171 WeakPolarHBondContact O-CA 3.44Å |
| 172 | G | 89 | Confident | 84.4 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y148 M149 | Y148-G172 WeakPolarHBondContact CA-O 3.27Å; M149-G172 PolarHBondContact N-O 3.1Å; M149-G172 PolarHBondContact O-N 3.41Å |
| 173 | S | 90.4 | Very high | 86.2 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.9 | 175.7 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | A147 G193 S196 | A147-S173 CarbonylContact O-C 3.5Å; A147-S173 VanDerWaalsContact O-CA 3.3Å; A147-S173 WeakPolarHBondContact O-CA 3.35Å; S173-G193 PolarHBondContact O-N 3.06Å; S173-S196 PolarHBondContact O-OG 2.86Å |
| 174 | A | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 162.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I146 A147 M149 V190 | I146-A174 WeakPolarHBondContact CA-O 3.12Å; A147-A174 PolarHBondContact N-O 2.02Å; A147-A174 PolarHBondContact O-N 2.79Å; M149-A174 HydrophobicContact CE-CB 3.16Å; A174-V190 HydrophobicContact CB-CB 3.79Å; A174-V190 HydrophobicContact CB-CG1 4.2Å; A174-V190 HydrophobicContact CB-CG2 3.95Å |
| 175 | T | 92.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.6 | 167.2 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | S145 I146 V190 K191 P194 | S145-T175 WeakPolarHBondContact O-CA 3.42Å; I146-T175 WeakPolarHBondContact CD1-OG1 3.13Å; T175-V190 WeakPolarHBondContact O-CA 3.32Å; T175-K191 HydrophobicContact CG2-CG 4.48Å; T175-K191 PolarHBondContact N-O 2.9Å; T175-K191 WeakPolarHBondContact O-CG 3.3Å; T175-K191 PolarHBondContact O-N 3.39Å; T175-P194 WeakPolarHBondContact OG1-CD 3.27Å |
| 176 | I | 95.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 138.2 | 175.5 | -54.8 | -57.5 | 0 | 0 | 0 | 109.4 | P141 E144 S145 A147 I188 V190 L209 | P141-I176 HydrophobicContact CB-CD1 4.37Å; P141-I176 HydrophobicContact CB-CG1 3.96Å; P141-I176 HydrophobicContact CB-CG2 4.49Å; P141-I176 HydrophobicContact CG-CD1 4.08Å; P141-I176 HydrophobicContact CG-CG1 4.17Å; P141-I176 HydrophobicContact CG-CG2 4.4Å; E144-I176 WeakPolarHBondContact CA-O 3.21Å; E144-I176 PolarHBondContact N-O 2.97Å; S145-I176 WeakPolarHBondContact O-CG1 3.43Å; S145-I176 PolarHBondContact O-N 3.02Å; S145-I176 WeakPolarHBondContact OG-CG1 3.34Å; A147-I176 HydrophobicContact CB-CD1 3.73Å; A147-I176 HydrophobicContact CB-CG1 4.28Å; I176-I188 HydrophobicContact CD1-CG2 3.79Å; I176-I188 HydrophobicContact CG2-CG2 4.36Å; I176-V190 HydrophobicContact CD1-CG1 3.64Å; I176-L209 HydrophobicContact CD1-CD2 3.84Å |
| 177 | M | 93.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.4 | 177 | 66.1 | 177.8 | -66.6 | 0 | 0 | 110.9 | R180 C189 K191 L227 L230 C234 | M177-R180 HydrophobicContact CE-CG 4.18Å; M177-C189 HydrophobicContact CG-CB 3.97Å; M177-C189 PolarHBondContact N-O 3.21Å; M177-C189 VanDerWaalsContact O-O 3.13Å; M177-K191 HydrophobicContact CB-CG 4.41Å; M177-K191 HydrophobicContact SD-CB 3.7Å; M177-K191 HydrophobicContact SD-CG 4.09Å; M177-L227 HydrophobicContact CE-CD1 3.98Å; M177-L230 HydrophobicContact CE-CD1 4.05Å; M177-C234 HydrophobicContact SD-CB 4.35Å |
| 178 | A | 92.9 | Very high | 92 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 50% | 0.496 | 21% | 0.213 | S | C | . | . | trans | -62.9 | 137.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R180 | A178-R180 PolarHBondContact O-N 3.33Š| ||
| 179 | C | 90.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 39 Ų | 39 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | trans | -67.1 | 102.7 | 172.8 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | H181 T183 P187 C189 | C179-H181 PolarHBondContact O-N 2.98Å; C179-H181 VanDerWaalsContact O-N 3.09Å; C179-T183 HydrophobicContact CB-CG2 3.44Å; C179-T183 VanDerWaalsContact CB-CG2 3.44Å; C179-P187 PolarHBondContact SG-O 3.2Å; C179-C189 WeakPolarHBondContact CA-SG 3.37Å; C179-C189 HydrophobicContact CB-CB 3.96Å; C179-C189 WeakPolarHBondContact CB-SG 3.45Å; C179-C189 WeakPolarHBondContact SG-CB 3.32Å; C179-C189 CovalentContact SG-SG 2.03Å; C179-C189 PolarHBondContact SG-SG 3.32Å | ||
| 180 | R | 89.8 | Confident | 92.3 | Very high | 157 Ų | 157 | 38.8 Ų | 38.8 | 59% | 0.592 | 20% | 0.203 | S | C | * | . | trans | -84.9 | 36.7 | -176.9 | -63.9 | -176.6 | -177.6 | 177.8 | -1.6 | 112.9 | M177 A178 L227 L230 | M177-R180 HydrophobicContact CE-CG 4.18Å; A178-R180 PolarHBondContact O-N 3.33Å; R180-L227 HydrophobicContact CB-CD1 4.39Å; R180-L230 VanDerWaalsContact NH1-CD2 3.27Å | ||
| 181 | H | 89 | Confident | 92.3 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -155.4 | 172.5 | 178.2 | 65.3 | 96.1 | 0 | 0 | 0 | 109.8 | C179 T183 L227 E236 | C179-H181 PolarHBondContact O-N 2.98Å; C179-H181 VanDerWaalsContact O-N 3.09Å; H181-T183 PolarHBondContact O-N 3.35Å; H181-L227 HydrophobicContact CB-CD2 4.07Å; H181-E236 IonicContact CE1-OE1 3.43Å; H181-E236 PolarHBondContact CE1-OE1 3.39Å; H181-E236 IonicContact NE2-OE1 2.81Å |
| 182 | K | 90.2 | Very high | 92 | Very high | 170 Ų | 170 | 40.5 Ų | 40.5 | 74% | 0.739 | 21% | 0.213 | S | C | * | . | trans | -67.4 | 124.4 | 174.1 | -174.4 | 174 | -175.7 | 172.3 | 0 | 109.9 | F184 | K182-F184 HydrophobicContact CD-CE2 4.5Å; K182-F184 HydrophobicContact CD-CZ 4.46Å; K182-F184 HydrophobicContact CG-CE2 4.42Å | ||
| 183 | T | 92.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | trans | -116.5 | 162.7 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | C179 H181 P187 | C179-T183 HydrophobicContact CB-CG2 3.44Å; C179-T183 VanDerWaalsContact CB-CG2 3.44Å; H181-T183 PolarHBondContact O-N 3.35Å; T183-P187 HydrophobicContact CG2-CG 3.8Å | ||
| 184 | F | 92.3 | Very high | 90.8 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -131.4 | 131.9 | 171.7 | -65.7 | -92.9 | 0 | 0 | 0 | 108.9 | K107 S108 L109 G111 K182 | K107-F184 HydrophobicContact CB-CE2 4.47Å; K107-F184 HydrophobicContact CD-CZ 4.32Å; K107-F184 HydrophobicContact CG-CZ 4.44Å; S108-F184 WeakPolarHBondContact O-CD2 3.13Å; L109-F184 HydrophobicContact CD2-CB 3.67Å; L109-F184 HydrophobicContact CD2-CD1 4.29Å; L109-F184 HydrophobicContact CD2-CG 3.95Å; G111-F184 VanDerWaalsContact CA-O 3.24Å; G111-F184 WeakPolarHBondContact CA-O 3.4Å; G111-F184 PolarHBondContact N-O 3.42Å; K182-F184 HydrophobicContact CD-CE2 4.5Å; K182-F184 HydrophobicContact CD-CZ 4.46Å; K182-F184 HydrophobicContact CG-CE2 4.42Å |
| 185 | G | 92.4 | Very high | 89.7 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 78 | 15 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G111 Y112 | G111-G185 WeakPolarHBondContact CA-O 3.36Å; Y112-G185 VanDerWaalsContact CE2-CA 3.42Å |
| 186 | D | 94.1 | Very high | 88.4 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | trans | 48.3 | 62.7 | 177.5 | -165.3 | 15.8 | 0 | 0 | 0 | 113.2 | R242 | D186-R242 VanDerWaalsContact CG-NE 3.32Å; D186-R242 VanDerWaalsContact CG-NH2 3.29Å; D186-R242 WeakPolarHBondContact O-CD 3.4Å; D186-R242 VanDerWaalsContact O-CZ 3.3Å; D186-R242 PolarHBondContact O-NH1 3.09Å; D186-R242 IonicContact OD1-CZ 2.85Å; D186-R242 IonicContact OD1-NH1 3.79Å; D186-R242 IonicContact OD1-NH2 3.13Å; D186-R242 PolarHBondContact OD1-NH2 2.95Å; D186-R242 IonicContact OD2-CZ 2.79Å; D186-R242 IonicContact OD2-NE 3.64Å; D186-R242 PolarHBondContact OD2-NE 3.45Å; D186-R242 IonicContact OD2-NH1 2.77Å; D186-R242 IonicContact OD2-NH2 3.24Å; D186-R242 PolarHBondContact OD2-NH2 2.93Å | ||
| 187 | P | 96.1 | Very high | 87 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 161.8 | 176.9 | 28.2 | -31.6 | 0 | 0 | 0 | 111.4 | C179 T183 E236 Y237 | C179-P187 PolarHBondContact SG-O 3.2Å; T183-P187 HydrophobicContact CG2-CG 3.8Å; P187-E236 HydrophobicContact CB-CB 4.05Å; P187-E236 HydrophobicContact CB-CG 4.32Å; P187-E236 HydrophobicContact CG-CB 4.42Å; P187-E236 HydrophobicContact CG-CG 4.15Å; P187-E236 WeakPolarHBondContact CG-OE1 3.35Å; P187-Y237 CarbonylContact C-O 3.59Å; P187-Y237 VanDerWaalsContact CA-O 3.32Å; P187-Y237 WeakPolarHBondContact CA-O 3.39Å; P187-Y237 WeakPolarHBondContact CB-O 3.39Å |
| 188 | I | 96.6 | Very high | 85.9 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.1 | 165.3 | -62.2 | 165.4 | 0 | 0 | 0 | 107.4 | P141 I176 V190 L209 V218 E236 Y237 | P141-I188 HydrophobicContact CG-CD1 4.01Å; P141-I188 HydrophobicContact CG-CG1 4.47Å; P141-I188 HydrophobicContact CG-CG2 4.2Å; I176-I188 HydrophobicContact CD1-CG2 3.79Å; I176-I188 HydrophobicContact CG2-CG2 4.36Å; I188-V190 HydrophobicContact CG2-CG1 4.3Å; I188-L209 HydrophobicContact CG2-CD2 3.79Å; I188-V218 HydrophobicContact CD1-CB 4.36Å; I188-V218 VanDerWaalsContact CD1-O 3.32Å; I188-V218 WeakPolarHBondContact CD1-O 3.37Å; I188-E236 CarbonylContact O-C 3.56Å; I188-Y237 PolarHBondContact N-O 2.84Å; I188-Y237 PolarHBondContact O-N 3.13Å |
| 189 | C | 94.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.1 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 110.5 | M177 C179 C234 V235 | M177-C189 HydrophobicContact CG-CB 3.97Å; M177-C189 PolarHBondContact N-O 3.21Å; M177-C189 VanDerWaalsContact O-O 3.13Å; C179-C189 WeakPolarHBondContact CA-SG 3.37Å; C179-C189 HydrophobicContact CB-CB 3.96Å; C179-C189 WeakPolarHBondContact CB-SG 3.45Å; C179-C189 WeakPolarHBondContact SG-CB 3.32Å; C179-C189 CovalentContact SG-SG 2.03Å; C179-C189 PolarHBondContact SG-SG 3.32Å; C189-C234 WeakPolarHBondContact CB-SG 3.49Å; C189-V235 WeakPolarHBondContact CA-O 3.43Å |
| 190 | V | 93 | Very high | 84.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.1 | 176.9 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | A174 T175 I176 I188 L209 C234 V235 Y237 | A174-V190 HydrophobicContact CB-CB 3.79Å; A174-V190 HydrophobicContact CB-CG1 4.2Å; A174-V190 HydrophobicContact CB-CG2 3.95Å; T175-V190 WeakPolarHBondContact O-CA 3.32Å; I176-V190 HydrophobicContact CD1-CG1 3.64Å; I188-V190 HydrophobicContact CG2-CG1 4.3Å; V190-L209 HydrophobicContact CG1-CD1 4.31Å; V190-L209 HydrophobicContact CG1-CD2 3.9Å; V190-C234 WeakPolarHBondContact O-CA 3.48Å; V190-V235 HydrophobicContact CG2-CB 4.09Å; V190-V235 PolarHBondContact N-O 2.99Å; V190-V235 PolarHBondContact O-N 2.82Å; V190-Y237 HydrophobicContact CG1-CD2 4.16Å; V190-Y237 HydrophobicContact CG1-CE2 4.23Å; V190-Y237 HydrophobicContact CG2-CD2 4.02Å; V190-Y237 HydrophobicContact CG2-CE2 3.48Å; V190-Y237 VanDerWaalsContact CG2-CE2 3.48Å |
| 191 | K | 89.6 | Confident | 84.4 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 167.3 | 166.1 | 55.2 | 171.5 | 176.2 | 174.9 | 0 | 109.3 | E144 T175 M177 | E144-K191 IonicContact OE1-NZ 2.69Å; E144-K191 PolarHBondContact OE1-NZ 3.28Å; E144-K191 IonicContact OE2-NZ 2.78Å; E144-K191 PolarHBondContact OE2-NZ 2.85Å; T175-K191 HydrophobicContact CG2-CG 4.48Å; T175-K191 PolarHBondContact N-O 2.9Å; T175-K191 WeakPolarHBondContact O-CG 3.3Å; T175-K191 PolarHBondContact O-N 3.39Å; M177-K191 HydrophobicContact CB-CG 4.41Å; M177-K191 HydrophobicContact SD-CB 3.7Å; M177-K191 HydrophobicContact SD-CG 4.09Å |
| 192 | P | 85 | Confident | 84.2 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 17% | 0.169 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 146 | 169.9 | -25 | 35 | 0 | 0 | 0 | 112.2 | S196 Q198 I199 | P192-S196 WeakPolarHBondContact CB-O 3.45Å; P192-Q198 VanDerWaalsContact CA-O 3.31Å; P192-Q198 WeakPolarHBondContact CA-O 3.32Å; P192-Q198 WeakPolarHBondContact CB-O 3.29Å; P192-I199 HydrophobicContact CG-CB 4.44Å |
| 193 | G | 80.7 | Confident | 84 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | trans | -67.9 | 167.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S173 N195 S196 | S173-G193 PolarHBondContact O-N 3.06Å; G193-N195 PolarHBondContact O-N 3.46Å; G193-N195 VanDerWaalsContact O-N 3.12Å; G193-S196 WeakPolarHBondContact CA-OG 3.33Å; G193-S196 PolarHBondContact N-OG 2.78Å; G193-S196 PolarHBondContact O-N 2.93Å | ||
| 194 | P | 73.5 | Confident | 84.1 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30.3 | -173.3 | 24.4 | -34.7 | 0 | 0 | 0 | 113.7 | I146 T175 | I146-P194 VanDerWaalsContact CD1-CD 3.49Å; I146-P194 HydrophobicContact CD1-CG 3.87Å; T175-P194 WeakPolarHBondContact OG1-CD 3.27Å |
| 195 | N | 68.9 | Low | 84.2 | Confident | 164 Ų | 164 | 38.6 Ų | 38.6 | 88% | 0.877 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 10.5 | 178.9 | -61.4 | -39.4 | 0 | 0 | 0 | 112.5 | G193 | G193-N195 PolarHBondContact O-N 3.46Å; G193-N195 VanDerWaalsContact O-N 3.12Å |
| 196 | S | 65.3 | Low | 84.5 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | trans | -128.8 | 136.2 | -175.4 | 86.4 | 0 | 0 | 0 | 0 | 110.4 | S173 P192 G193 Q198 | S173-S196 PolarHBondContact O-OG 2.86Å; P192-S196 WeakPolarHBondContact CB-O 3.45Å; G193-S196 WeakPolarHBondContact CA-OG 3.33Å; G193-S196 PolarHBondContact N-OG 2.78Å; G193-S196 PolarHBondContact O-N 2.93Å; S196-Q198 PolarHBondContact O-N 3.25Å | ||
| 197 | K | 66.6 | Low | 84.7 | Confident | 158 Ų | 158 | 33.9 Ų | 33.9 | 69% | 0.687 | 19% | 0.191 | S | C | * | . | trans | -89 | 21.2 | 162.3 | -65.2 | -177.1 | -179.4 | 177.3 | 0 | 110.8 | Q15 | Q15-K197 VanDerWaalsContact O-O 3.11Š| ||
| 198 | Q | 70 | Confident | 84.8 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | trans | -87.3 | 137.3 | -170.5 | -65.3 | 163.6 | -2.7 | 0 | 0 | 110 | A17 P192 S196 | A17-Q198 PolarHBondContact O-NE2 2.95Å; P192-Q198 VanDerWaalsContact CA-O 3.31Å; P192-Q198 WeakPolarHBondContact CA-O 3.32Å; P192-Q198 WeakPolarHBondContact CB-O 3.29Å; S196-Q198 PolarHBondContact O-N 3.25Å | ||
| 199 | I | 77.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | trans | -148.5 | 155.4 | 167.5 | -155.7 | 170.5 | 0 | 0 | 0 | 108.2 | P192 L233 V235 | P192-I199 HydrophobicContact CG-CB 4.44Å; I199-L233 HydrophobicContact CD1-CB 4.33Å; I199-L233 HydrophobicContact CD1-CD2 4.11Å; I199-L233 HydrophobicContact CD1-CG 4.13Å; I199-L233 WeakPolarHBondContact CD1-O 3.19Å; I199-L233 HydrophobicContact CG2-CD2 3.64Å; I199-V235 HydrophobicContact CD1-CB 4.08Å; I199-V235 HydrophobicContact CD1-CG2 3.56Å; I199-V235 HydrophobicContact CG1-CB 4.06Å; I199-V235 HydrophobicContact CG1-CG2 3.5Å | ||
| 200 | A | 81.9 | Confident | 85 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | trans | -57.8 | 138.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D204 V235 | A200-D204 WeakPolarHBondContact CA-OD2 3.49Å; A200-D204 HydrophobicContact CB-CB 3.89Å; A200-V235 HydrophobicContact CB-CG1 4.2Å; A200-V235 HydrophobicContact CB-CG2 4.39Å | ||
| 201 | G | 83.5 | Confident | 85.1 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | trans | -122.6 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G203 D204 | G201-G203 PolarHBondContact O-N 3.01Å; G201-D204 PolarHBondContact N-OD2 2.99Å; G201-D204 WeakPolarHBondContact O-CB 3.07Å; G201-D204 PolarHBondContact O-N 2.96Å | ||
| 202 | P | 83.9 | Confident | 85.4 | Confident | 56 Ų | 56 | 35.7 Ų | 35.7 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 122.5 | 176.1 | -24.5 | 34.4 | 0 | 0 | 0 | 111.5 | I12 G153 Q154 | I12-P202 HydrophobicContact CG2-CG 4.47Å; G153-P202 CarbonylContact C-O 3.47Å; G153-P202 WeakPolarHBondContact CA-O 3.41Å; Q154-P202 PolarHBondContact N-O 2.9Å |
| 203 | G | 87.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -24.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C40 T41 G201 S205 | C40-G203 CarbonylContact C-O 3.54Å; T41-G203 PolarHBondContact N-O 2.97Å; T41-G203 PolarHBondContact OG1-O 3.19Å; G201-G203 PolarHBondContact O-N 3.01Å; G203-S205 PolarHBondContact O-N 2.77Å |
| 204 | D | 93.5 | Very high | 86.6 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -15.8 | 169.4 | -66.2 | -41.4 | 0 | 0 | 0 | 112.2 | G151 Y152 G153 A200 G201 G206 G207 A221 | G151-D204 VanDerWaalsContact C-OD1 3.25Å; G151-D204 VanDerWaalsContact CA-OD1 3.31Å; G151-D204 WeakPolarHBondContact CA-OD1 3.02Å; Y152-D204 PolarHBondContact N-OD1 3.49Å; G153-D204 VanDerWaalsContact CA-CG 3.47Å; G153-D204 VanDerWaalsContact CA-OD1 3.29Å; G153-D204 WeakPolarHBondContact CA-OD1 3.47Å; G153-D204 PolarHBondContact N-OD1 2.97Å; A200-D204 WeakPolarHBondContact CA-OD2 3.49Å; A200-D204 HydrophobicContact CB-CB 3.89Å; G201-D204 PolarHBondContact N-OD2 2.99Å; G201-D204 WeakPolarHBondContact O-CB 3.07Å; G201-D204 PolarHBondContact O-N 2.96Å; D204-G206 PolarHBondContact O-N 3.42Å; D204-G207 VanDerWaalsContact O-CA 3.3Å; D204-G207 WeakPolarHBondContact O-CA 3.43Å; D204-G207 PolarHBondContact O-N 3.02Å; D204-A221 WeakPolarHBondContact O-CB 3.5Å |
| 205 | S | 95.1 | Very high | 87.7 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | 127.8 | 173.8 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | C40 T41 H55 G203 G207 | C40-S205 WeakPolarHBondContact CB-O 3.43Å; T41-S205 PolarHBondContact N-O 3.23Å; T41-S205 VanDerWaalsContact O-O 3.09Å; H55-S205 VanDerWaalsContact CE1-CB 3.42Å; H55-S205 WeakPolarHBondContact CE1-CB 3.19Å; H55-S205 PolarHBondContact CE1-OG 3.18Å; H55-S205 VanDerWaalsContact CE1-OG 3.26Å; H55-S205 WeakPolarHBondContact NE2-CB 3.16Å; H55-S205 PolarHBondContact NE2-OG 2.62Å; G203-S205 PolarHBondContact O-N 2.77Å; S205-G207 PolarHBondContact O-N 3.44Å |
| 206 | G | 97.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -8.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T41 T52 A53 D204 A221 | T41-G206 CarbonylContact O-C 3.56Å; T41-G206 VanDerWaalsContact O-CA 3.22Å; T41-G206 WeakPolarHBondContact O-CA 3.42Å; T52-G206 WeakPolarHBondContact OG1-CA 3.3Å; A53-G206 VanDerWaalsContact N-CA 3.31Å; D204-G206 PolarHBondContact O-N 3.42Å; G206-A221 PolarHBondContact N-O 3.13Å |
| 207 | G | 97.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 154.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T41 D204 S205 A221 | T41-G207 VanDerWaalsContact CG2-CA 3.47Å; D204-G207 VanDerWaalsContact O-CA 3.3Å; D204-G207 WeakPolarHBondContact O-CA 3.43Å; D204-G207 PolarHBondContact O-N 3.02Å; S205-G207 PolarHBondContact O-N 3.44Å; G207-A221 PolarHBondContact O-N 3.05Å |
| 208 | P | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.3 | -172.8 | 30.9 | -34.9 | 0 | 0 | 0 | 113.1 | F29 I30 S43 V150 L210 I217 G219 | F29-P208 HydrophobicContact CE2-CG 4.33Å; I30-P208 HydrophobicContact CD1-CG 3.43Å; I30-P208 VanDerWaalsContact CD1-CG 3.43Å; S43-P208 WeakPolarHBondContact OG-CB 3.4Å; S43-P208 WeakPolarHBondContact OG-CD 3.42Å; S43-P208 WeakPolarHBondContact OG-CG 3.48Å; V150-P208 HydrophobicContact CG1-CG 3.68Å; V150-P208 WeakPolarHBondContact O-CD 3.43Å; P208-L210 HydrophobicContact CB-CD2 3.59Å; P208-L210 HydrophobicContact CB-CG 4.06Å; P208-L210 HydrophobicContact CG-CD2 4.04Å; P208-L210 HydrophobicContact CG-CG 4.27Å; P208-I217 HydrophobicContact CB-CB 4.43Å; P208-I217 HydrophobicContact CB-CD1 3.57Å; P208-I217 HydrophobicContact CB-CG1 3.64Å; P208-G219 CarbonylContact C-O 3.52Å; P208-G219 WeakPolarHBondContact CA-O 3.43Å |
| 209 | L | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.8 | 151.6 | -166.9 | 67.9 | 0 | 0 | 0 | 108 | A147 Y148 I176 I188 V190 V218 G219 Y237 | A147-L209 HydrophobicContact CB-CD1 3.59Å; A147-L209 HydrophobicContact CB-CD2 4.27Å; A147-L209 HydrophobicContact CB-CG 3.78Å; Y148-L209 CarbonylContact O-C 3.48Å; Y148-L209 WeakPolarHBondContact O-CA 3.34Å; I176-L209 HydrophobicContact CD1-CD2 3.84Å; I188-L209 HydrophobicContact CG2-CD2 3.79Å; V190-L209 HydrophobicContact CG1-CD1 4.31Å; V190-L209 HydrophobicContact CG1-CD2 3.9Å; L209-V218 HydrophobicContact CB-CG2 4.16Å; L209-V218 HydrophobicContact CD2-CG2 4.23Å; L209-V218 HydrophobicContact CG-CG2 4.05Å; L209-V218 WeakPolarHBondContact O-CG2 3.32Å; L209-V218 PolarHBondContact O-N 2.8Å; L209-G219 PolarHBondContact N-O 3.39Å; L209-G219 PolarHBondContact O-N 2.98Å; L209-Y237 HydrophobicContact CB-CD1 3.49Å; L209-Y237 VanDerWaalsContact CB-CD1 3.49Å; L209-Y237 HydrophobicContact CB-CE1 3.64Å; L209-Y237 HydrophobicContact CB-CG 4.11Å; L209-Y237 HydrophobicContact CD1-CE1 4.17Å; L209-Y237 HydrophobicContact CD1-CE2 4.38Å; L209-Y237 HydrophobicContact CD2-CD1 4.28Å; L209-Y237 HydrophobicContact CD2-CD2 4.25Å; L209-Y237 HydrophobicContact CD2-CG 4.05Å; L209-Y237 HydrophobicContact CG-CD1 4.33Å; L209-Y237 HydrophobicContact CG-CE1 4.39Å |
| 210 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.8 | -171.2 | -48.8 | 169.8 | 0 | 0 | 0 | 110.8 | F27 F29 I132 A147 Y148 V150 P208 T212 P216 I217 | F27-L210 HydrophobicContact CD1-CD1 4.49Å; F27-L210 HydrophobicContact CE1-CD1 4.33Å; F29-L210 HydrophobicContact CE2-CD1 4.17Å; F29-L210 HydrophobicContact CE2-CD2 4.25Å; F29-L210 HydrophobicContact CZ-CD1 3.96Å; F29-L210 HydrophobicContact CZ-CD2 4.47Å; I132-L210 HydrophobicContact CD1-CD2 3.29Å; A147-L210 WeakPolarHBondContact CA-O 3.43Å; Y148-L210 PolarHBondContact N-O 3.24Å; Y148-L210 PolarHBondContact O-N 3.09Å; V150-L210 HydrophobicContact CG1-CD1 4.17Å; P208-L210 HydrophobicContact CB-CD2 3.59Å; P208-L210 HydrophobicContact CB-CG 4.06Å; P208-L210 HydrophobicContact CG-CD2 4.04Å; P208-L210 HydrophobicContact CG-CG 4.27Å; L210-T212 WeakPolarHBondContact CB-O 3.43Å; L210-P216 WeakPolarHBondContact CA-O 3.44Å; L210-I217 HydrophobicContact CD2-CB 4.22Å |
| 211 | L | 96.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 20.9 Ų | 20.9 | 26% | 0.257 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -69.2 | -38.9 | 171.7 | -71.4 | -179.9 | 0 | 0 | 0 | 112.3 | D139 P141 P216 V218 | D139-L211 HydrophobicContact CB-CD1 3.91Å; P141-L211 HydrophobicContact CB-CD2 4.07Å; L211-P216 HydrophobicContact CD1-CG 3.95Å; L211-P216 HydrophobicContact CG-CG 4.47Å; L211-P216 PolarHBondContact N-O 3.39Å; L211-V218 HydrophobicContact CD1-CG1 3.86Å; L211-V218 HydrophobicContact CD2-CG1 3.79Å; L211-V218 HydrophobicContact CD2-CG2 4.33Å; L211-V218 HydrophobicContact CG-CG1 3.45Å; L211-V218 VanDerWaalsContact CG-CG1 3.45Å; L211-V218 HydrophobicContact CG-CG2 4.38Å |
| 212 | T | 96.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 20.6 Ų | 20.6 | 39% | 0.387 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -129.6 | 163.4 | 171.9 | 79.4 | 0 | 0 | 0 | 0 | 108.7 | L210 Q214 G215 | L210-T212 WeakPolarHBondContact CB-O 3.43Å; T212-Q214 PolarHBondContact O-N 3.46Å; T212-Q214 PolarHBondContact OG1-N 3.18Å; T212-G215 WeakPolarHBondContact CB-O 2.94Å; T212-G215 PolarHBondContact N-O 2.85Å; T212-G215 PolarHBondContact O-N 3.09Å; T212-G215 PolarHBondContact OG1-N 2.74Å; T212-G215 PolarHBondContact OG1-O 2.88Å |
| 213 | P | 94 | Very high | 96 | Very high | 36 Ų | 36 | 20.6 Ų | 20.6 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.3 | 176.8 | -24.5 | 34.8 | 0 | 0 | 0 | 114.2 | F27 Y148 | F27-P213 HydrophobicContact CE1-CB 4.19Å; F27-P213 WeakPolarHBondContact CE1-O 3.4Å; F27-P213 HydrophobicContact CZ-CB 4.41Å; Y148-P213 HydrophobicContact CD1-CG 3.84Å; Y148-P213 HydrophobicContact CD2-CG 4.28Å; Y148-P213 HydrophobicContact CE1-CG 3.84Å; Y148-P213 HydrophobicContact CE2-CG 4.31Å; Y148-P213 HydrophobicContact CG-CG 4.05Å |
| 214 | Q | 96 | Very high | 95.8 | Very high | 136 Ų | 136 | 22.7 Ų | 22.7 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | 0.2 | 177.4 | -67.5 | 70.8 | 41.2 | 0 | 0 | 113.6 | T212 | T212-Q214 PolarHBondContact O-N 3.46Å; T212-Q214 PolarHBondContact OG1-N 3.18Å |
| 215 | G | 96.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | trans | 106.1 | -167.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T212 | T212-G215 WeakPolarHBondContact CB-O 2.94Å; T212-G215 PolarHBondContact N-O 2.85Å; T212-G215 PolarHBondContact O-N 3.09Å; T212-G215 PolarHBondContact OG1-N 2.74Å; T212-G215 PolarHBondContact OG1-O 2.88Å | ||
| 216 | P | 98.4 | Very high | 94.4 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 18% | 0.175 | 15% | 0.153 | C | C | . | . | cis | -65.1 | 166.3 | -5.5 | 30.2 | -37.6 | 0 | 0 | 0 | 112.9 | S133 A135 L210 L211 V218 | S133-P216 CarbonylContact O-C 3.54Å; S133-P216 VanDerWaalsContact O-CA 3.27Å; S133-P216 WeakPolarHBondContact O-CA 3.37Å; S133-P216 VanDerWaalsContact O-CB 3.3Å; S133-P216 WeakPolarHBondContact O-CB 3.21Å; A135-P216 HydrophobicContact CB-CB 4.12Å; A135-P216 HydrophobicContact CB-CG 4.07Å; L210-P216 WeakPolarHBondContact CA-O 3.44Å; L211-P216 HydrophobicContact CD1-CG 3.95Å; L211-P216 HydrophobicContact CG-CG 4.47Å; L211-P216 PolarHBondContact N-O 3.39Å; P216-V218 PolarHBondContact O-N 3.39Å | ||
| 217 | I | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 118.5 | 168.1 | -172.6 | -178.7 | 0 | 0 | 0 | 109.9 | V45 L51 I132 S133 L134 A135 P208 L210 G219 V220 V240 | V45-I217 HydrophobicContact CG1-CG2 4.5Å; L51-I217 HydrophobicContact CD2-CD1 3.92Å; L51-I217 HydrophobicContact CD2-CG2 4.46Å; I132-I217 HydrophobicContact CD1-CB 4.28Å; I132-I217 HydrophobicContact CG2-CG2 4.27Å; S133-I217 PolarHBondContact O-N 2.83Å; L134-I217 HydrophobicContact CD2-CG2 3.79Å; A135-I217 WeakPolarHBondContact CB-O 3.42Å; A135-I217 PolarHBondContact N-O 3.05Å; P208-I217 HydrophobicContact CB-CB 4.43Å; P208-I217 HydrophobicContact CB-CD1 3.57Å; P208-I217 HydrophobicContact CB-CG1 3.64Å; L210-I217 HydrophobicContact CD2-CB 4.22Å; I217-G219 WeakPolarHBondContact CG1-O 3.28Å; I217-V220 HydrophobicContact CD1-CG2 4.06Å; I217-V240 HydrophobicContact CD1-CG2 4.29Å; I217-V240 HydrophobicContact CG1-CG2 4.12Å; I217-V240 HydrophobicContact CG2-CG1 4.43Å; I217-V240 HydrophobicContact CG2-CG2 4.39Å; I217-V240 WeakPolarHBondContact O-CB 3.5Å; I217-V240 WeakPolarHBondContact O-CG1 3.45Å |
| 218 | V | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -24.2 | 177.4 | -76.3 | 0 | 0 | 0 | 0 | 113.5 | A135 D139 I188 L209 L211 P216 V240 P241 | A135-V218 HydrophobicContact CB-CB 4.2Å; A135-V218 HydrophobicContact CB-CG1 3.41Å; A135-V218 VanDerWaalsContact CB-CG1 3.41Å; D139-V218 HydrophobicContact CB-CG1 4.44Å; D139-V218 WeakPolarHBondContact O-CG1 3.09Å; I188-V218 HydrophobicContact CD1-CB 4.36Å; I188-V218 VanDerWaalsContact CD1-O 3.32Å; I188-V218 WeakPolarHBondContact CD1-O 3.37Å; L209-V218 HydrophobicContact CB-CG2 4.16Å; L209-V218 HydrophobicContact CD2-CG2 4.23Å; L209-V218 HydrophobicContact CG-CG2 4.05Å; L209-V218 WeakPolarHBondContact O-CG2 3.32Å; L209-V218 PolarHBondContact O-N 2.8Å; L211-V218 HydrophobicContact CD1-CG1 3.86Å; L211-V218 HydrophobicContact CD2-CG1 3.79Å; L211-V218 HydrophobicContact CD2-CG2 4.33Å; L211-V218 HydrophobicContact CG-CG1 3.45Å; L211-V218 VanDerWaalsContact CG-CG1 3.45Å; L211-V218 HydrophobicContact CG-CG2 4.38Å; P216-V218 PolarHBondContact O-N 3.39Å; V218-V240 PolarHBondContact O-N 3.28Å; V218-P241 VanDerWaalsContact O-CD 3.29Å; V218-P241 WeakPolarHBondContact O-CD 2.94Å |
| 219 | G | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P208 L209 I217 S238 | P208-G219 CarbonylContact C-O 3.52Å; P208-G219 WeakPolarHBondContact CA-O 3.43Å; L209-G219 PolarHBondContact N-O 3.39Å; L209-G219 PolarHBondContact O-N 2.98Å; I217-G219 WeakPolarHBondContact CG1-O 3.28Å; G219-S238 CarbonylContact C-O 3.56Å; G219-S238 WeakPolarHBondContact CA-O 3.28Å |
| 220 | V | 98.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.1 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | L51 T52 A53 M114 I217 S222 Y237 S238 V240 | L51-V220 HydrophobicContact CD1-CG2 4.22Å; L51-V220 HydrophobicContact CD2-CG2 3.91Å; L51-V220 HydrophobicContact CG-CG2 3.78Å; T52-V220 VanDerWaalsContact C-CG1 3.48Å; A53-V220 HydrophobicContact CB-CG1 4.16Å; M114-V220 HydrophobicContact CE-CG2 4.37Å; I217-V220 HydrophobicContact CD1-CG2 4.06Å; V220-S222 PolarHBondContact O-N 3.43Å; V220-Y237 VanDerWaalsContact C-CD1 3.41Å; V220-Y237 CarbonylContact O-C 3.57Å; V220-Y237 WeakPolarHBondContact O-CA 3.31Å; V220-S238 PolarHBondContact N-O 3.15Å; V220-S238 PolarHBondContact O-N 2.92Å; V220-V240 HydrophobicContact CG2-CG2 4.06Å |
| 221 | A | 96.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 122.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D204 G206 G207 Y237 | D204-A221 WeakPolarHBondContact O-CB 3.5Å; G206-A221 PolarHBondContact N-O 3.13Å; G207-A221 PolarHBondContact O-N 3.05Å; A221-Y237 VanDerWaalsContact CA-CE1 3.49Å; A221-Y237 HydrophobicContact CB-CD1 3.98Å; A221-Y237 HydrophobicContact CB-CE1 3.52Å |
| 222 | S | 95.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -83.7 | -175.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | H55 G110 D113 V220 E236 | H55-S222 PolarHBondContact CE1-O 2.93Å; H55-S222 VanDerWaalsContact CE1-O 3.22Å; G110-S222 WeakPolarHBondContact CA-OG 3.37Å; D113-S222 WeakPolarHBondContact CB-OG 3.39Å; D113-S222 WeakPolarHBondContact OD2-CB 3.34Å; D113-S222 PolarHBondContact OD2-OG 2.04Å; V220-S222 PolarHBondContact O-N 3.43Å; S222-E236 WeakPolarHBondContact CA-O 3.31Å; S222-E236 WeakPolarHBondContact CB-O 3.2Å; S222-E236 PolarHBondContact N-O 3.38Å |
| 223 | N | 86.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 40.7 Ų | 40.7 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.5 | -170.4 | -65.3 | -68.9 | 0 | 0 | 0 | 112.1 | V235 E236 | N223-V235 WeakPolarHBondContact O-CA 3.48Å; N223-E236 PolarHBondContact N-O 2.74Å; N223-E236 PolarHBondContact O-N 3.25Å |
| 224 | G | 84.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 39 Ų | 39 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | C234 | G224-C234 CarbonylContact C-O 3.5Å; G224-C234 WeakPolarHBondContact CA-O 3.23Å |
| 225 | V | 79 | Confident | 86.9 | Confident | 30 Ų | 30 | 32.8 Ų | 32.8 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 116.3 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | L227 C234 E236 | V225-L227 HydrophobicContact CG1-CD2 4.01Å; V225-C234 PolarHBondContact N-O 3.44Å; V225-C234 PolarHBondContact O-N 2.81Å; V225-E236 HydrophobicContact CG2-CG 3.92Å |
| 226 | F | 79.5 | Confident | 86.8 | Confident | 87 Ų | 87 | 32.5 Ų | 32.5 | 38% | 0.382 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.6 | 171.5 | -177 | -104.9 | 0 | 0 | 0 | 109.6 | P11 P228 | P11-F226 HydrophobicContact CG-CB 3.94Å; P11-F226 HydrophobicContact CG-CD2 4.49Å; P11-F226 HydrophobicContact CG-CG 4.23Å; F226-P228 HydrophobicContact CD1-CG 4.17Å; F226-P228 HydrophobicContact CE1-CB 4.36Å; F226-P228 HydrophobicContact CE1-CG 4.24Å; F226-P228 WeakPolarHBondContact O-CD 3.35Å |
| 227 | L | 79 | Confident | 86.8 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 100.4 | 179.2 | -60.4 | -177.9 | 0 | 0 | 0 | 109.4 | M177 R180 H181 V225 A229 L230 A231 D232 C234 | M177-L227 HydrophobicContact CE-CD1 3.98Å; R180-L227 HydrophobicContact CB-CD1 4.39Å; H181-L227 HydrophobicContact CB-CD2 4.07Å; V225-L227 HydrophobicContact CG1-CD2 4.01Å; L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 2.68Å; L227-L230 HydrophobicContact CB-CB 4.32Å; L227-L230 HydrophobicContact CB-CD1 4.43Å; L227-L230 HydrophobicContact CB-CG 4.38Å; L227-L230 HydrophobicContact CD1-CD1 3.84Å; L227-L230 PolarHBondContact O-N 2.9Å; L227-A231 PolarHBondContact O-N 3.25Å; L227-D232 PolarHBondContact N-O 3.02Å; L227-D232 PolarHBondContact O-N 2.71Å; L227-C234 HydrophobicContact CD1-CB 3.57Å; L227-C234 HydrophobicContact CG-CB 3.93Å |
| 228 | P | 76.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 31.4 Ų | 31.4 | 70% | 0.695 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -57.4 | -37.4 | -175.5 | -26.1 | 34.6 | 0 | 0 | 0 | 113.4 | F226 L230 A231 | F226-P228 HydrophobicContact CD1-CG 4.17Å; F226-P228 HydrophobicContact CE1-CB 4.36Å; F226-P228 HydrophobicContact CE1-CG 4.24Å; F226-P228 WeakPolarHBondContact O-CD 3.35Å; P228-L230 PolarHBondContact O-N 3.18Å; P228-A231 PolarHBondContact O-N 2.64Å |
| 229 | A | 75.9 | Confident | 86.7 | Confident | 103 Ų | 103 | 31.4 Ų | 31.4 | 85% | 0.851 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -65.9 | -19.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L227 | L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 2.68Å |
| 230 | L | 74.1 | Confident | 86.7 | Confident | 70 Ų | 70 | 31.4 Ų | 31.4 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -107.6 | -8.8 | 176.3 | -56 | -176.7 | 0 | 0 | 0 | 112.7 | M177 R180 L227 P228 D232 | M177-L230 HydrophobicContact CE-CD1 4.05Å; R180-L230 VanDerWaalsContact NH1-CD2 3.27Å; L227-L230 HydrophobicContact CB-CB 4.32Å; L227-L230 HydrophobicContact CB-CD1 4.43Å; L227-L230 HydrophobicContact CB-CG 4.38Å; L227-L230 HydrophobicContact CD1-CD1 3.84Å; L227-L230 PolarHBondContact O-N 2.9Å; P228-L230 PolarHBondContact O-N 3.18Å; L230-D232 HydrophobicContact CB-CB 3.87Å; L230-D232 PolarHBondContact O-N 2.78Å; L230-D232 VanDerWaalsContact O-N 3.17Å |
| 231 | A | 74.7 | Confident | 86.7 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 35.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L227 P228 | L227-A231 PolarHBondContact O-N 3.25Å; P228-A231 PolarHBondContact O-N 2.64Å |
| 232 | D | 77 | Confident | 86.7 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.8 | -169.4 | -155.1 | -4.8 | 0 | 0 | 0 | 111.2 | M1 L227 L230 | M1-D232 WeakPolarHBondContact CE-OD1 3.34Å; L227-D232 PolarHBondContact N-O 3.02Å; L227-D232 PolarHBondContact O-N 2.71Å; L230-D232 HydrophobicContact CB-CB 3.87Å; L230-D232 PolarHBondContact O-N 2.78Å; L230-D232 VanDerWaalsContact O-N 3.17Å |
| 233 | L | 78.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.4 | 177.3 | -171.9 | 72.6 | 0 | 0 | 0 | 110 | M1 C13 I199 V235 | M1-L233 HydrophobicContact CE-CB 4.18Å; C13-L233 HydrophobicContact CB-CB 4.38Å; C13-L233 HydrophobicContact CB-CD2 3.69Å; C13-L233 HydrophobicContact CB-CG 4.43Å; I199-L233 HydrophobicContact CD1-CB 4.33Å; I199-L233 HydrophobicContact CD1-CD2 4.11Å; I199-L233 HydrophobicContact CD1-CG 4.13Å; I199-L233 WeakPolarHBondContact CD1-O 3.19Å; I199-L233 HydrophobicContact CG2-CD2 3.64Å; L233-V235 HydrophobicContact CD2-CG2 4.44Å |
| 234 | C | 87.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 148 | 163.8 | 175 | 0 | 0 | 0 | 0 | 108.7 | M177 C189 V190 G224 V225 L227 | M177-C234 HydrophobicContact SD-CB 4.35Å; C189-C234 WeakPolarHBondContact CB-SG 3.49Å; V190-C234 WeakPolarHBondContact O-CA 3.48Å; G224-C234 CarbonylContact C-O 3.5Å; G224-C234 WeakPolarHBondContact CA-O 3.23Å; V225-C234 PolarHBondContact N-O 3.44Å; V225-C234 PolarHBondContact O-N 2.81Å; L227-C234 HydrophobicContact CD1-CB 3.57Å; L227-C234 HydrophobicContact CG-CB 3.93Å |
| 235 | V | 90.9 | Very high | 88 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.9 | 167.4 | 170.1 | 0 | 0 | 0 | 0 | 109.6 | C189 V190 I199 A200 N223 L233 Y237 | C189-V235 WeakPolarHBondContact CA-O 3.43Å; V190-V235 HydrophobicContact CG2-CB 4.09Å; V190-V235 PolarHBondContact N-O 2.99Å; V190-V235 PolarHBondContact O-N 2.82Å; I199-V235 HydrophobicContact CD1-CB 4.08Å; I199-V235 HydrophobicContact CD1-CG2 3.56Å; I199-V235 HydrophobicContact CG1-CB 4.06Å; I199-V235 HydrophobicContact CG1-CG2 3.5Å; A200-V235 HydrophobicContact CB-CG1 4.2Å; A200-V235 HydrophobicContact CB-CG2 4.39Å; N223-V235 WeakPolarHBondContact O-CA 3.48Å; L233-V235 HydrophobicContact CD2-CG2 4.44Å; V235-Y237 HydrophobicContact CB-CE2 4.12Å; V235-Y237 HydrophobicContact CG1-CD2 3.87Å; V235-Y237 HydrophobicContact CG1-CE2 3.46Å; V235-Y237 VanDerWaalsContact CG1-CE2 3.46Å |
| 236 | E | 94.5 | Very high | 89 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136 | 169.5 | -64.7 | -173.3 | 131.1 | 0 | 0 | 109.9 | S108 H181 P187 I188 S222 N223 V225 | S108-E236 PolarHBondContact OG-OE2 3.02Å; H181-E236 IonicContact CE1-OE1 3.43Å; H181-E236 PolarHBondContact CE1-OE1 3.39Å; H181-E236 IonicContact NE2-OE1 2.81Å; P187-E236 HydrophobicContact CB-CB 4.05Å; P187-E236 HydrophobicContact CB-CG 4.32Å; P187-E236 HydrophobicContact CG-CB 4.42Å; P187-E236 HydrophobicContact CG-CG 4.15Å; P187-E236 WeakPolarHBondContact CG-OE1 3.35Å; I188-E236 CarbonylContact O-C 3.56Å; S222-E236 WeakPolarHBondContact CA-O 3.31Å; S222-E236 WeakPolarHBondContact CB-O 3.2Å; S222-E236 PolarHBondContact N-O 3.38Å; N223-E236 PolarHBondContact N-O 2.74Å; N223-E236 PolarHBondContact O-N 3.25Å; V225-E236 HydrophobicContact CG2-CG 3.92Å |
| 237 | Y | 97.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.9 | 167 | -73.2 | -106.3 | 0 | 0 | 0 | 108.7 | P187 I188 V190 L209 V220 A221 V235 S239 | P187-Y237 CarbonylContact C-O 3.59Å; P187-Y237 VanDerWaalsContact CA-O 3.32Å; P187-Y237 WeakPolarHBondContact CA-O 3.39Å; P187-Y237 WeakPolarHBondContact CB-O 3.39Å; I188-Y237 PolarHBondContact N-O 2.84Å; I188-Y237 PolarHBondContact O-N 3.13Å; V190-Y237 HydrophobicContact CG1-CD2 4.16Å; V190-Y237 HydrophobicContact CG1-CE2 4.23Å; V190-Y237 HydrophobicContact CG2-CD2 4.02Å; V190-Y237 HydrophobicContact CG2-CE2 3.48Å; V190-Y237 VanDerWaalsContact CG2-CE2 3.48Å; L209-Y237 HydrophobicContact CB-CD1 3.49Å; L209-Y237 VanDerWaalsContact CB-CD1 3.49Å; L209-Y237 HydrophobicContact CB-CE1 3.64Å; L209-Y237 HydrophobicContact CB-CG 4.11Å; L209-Y237 HydrophobicContact CD1-CE1 4.17Å; L209-Y237 HydrophobicContact CD1-CE2 4.38Å; L209-Y237 HydrophobicContact CD2-CD1 4.28Å; L209-Y237 HydrophobicContact CD2-CD2 4.25Å; L209-Y237 HydrophobicContact CD2-CG 4.05Å; L209-Y237 HydrophobicContact CG-CD1 4.33Å; L209-Y237 HydrophobicContact CG-CE1 4.39Å; V220-Y237 VanDerWaalsContact C-CD1 3.41Å; V220-Y237 CarbonylContact O-C 3.57Å; V220-Y237 WeakPolarHBondContact O-CA 3.31Å; A221-Y237 VanDerWaalsContact CA-CE1 3.49Å; A221-Y237 HydrophobicContact CB-CD1 3.98Å; A221-Y237 HydrophobicContact CB-CE1 3.52Å; V235-Y237 HydrophobicContact CB-CE2 4.12Å; V235-Y237 HydrophobicContact CG1-CD2 3.87Å; V235-Y237 HydrophobicContact CG1-CE2 3.46Å; V235-Y237 VanDerWaalsContact CG1-CE2 3.46Å; Y237-S239 PolarHBondContact O-N 3.2Å |
| 238 | S | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 132.3 | 168.4 | -51.9 | 0 | 0 | 0 | 0 | 109 | G110 D113 G219 V220 V240 | G110-S238 WeakPolarHBondContact O-CA 3.41Å; G110-S238 WeakPolarHBondContact O-CB 3.3Å; G110-S238 PolarHBondContact O-OG 3.22Å; D113-S238 VanDerWaalsContact C-OG 3.29Å; D113-S238 WeakPolarHBondContact CA-OG 3.38Å; D113-S238 WeakPolarHBondContact CB-OG 3.22Å; D113-S238 PolarHBondContact N-OG 3.29Å; D113-S238 VanDerWaalsContact N-OG 3.13Å; D113-S238 PolarHBondContact O-OG 3.24Å; G219-S238 CarbonylContact C-O 3.56Å; G219-S238 WeakPolarHBondContact CA-O 3.28Å; V220-S238 PolarHBondContact N-O 3.15Å; V220-S238 PolarHBondContact O-N 2.92Å; S238-V240 PolarHBondContact O-N 3.47Å |
| 239 | S | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.3 | -173.2 | 177.4 | 0 | 0 | 0 | 0 | 111 | Y237 R242 M243 | Y237-S239 PolarHBondContact O-N 3.2Å; S239-R242 PolarHBondContact O-N 2.91Å; S239-R242 WeakPolarHBondContact OG-CG 3.38Å; S239-R242 PolarHBondContact OG-NH1 2.03Å; S239-M243 WeakPolarHBondContact O-CB 3.4Å; S239-M243 VanDerWaalsContact O-CG 3.22Å; S239-M243 WeakPolarHBondContact O-CG 3.43Å; S239-M243 PolarHBondContact O-N 2.71Å; S239-M243 VanDerWaalsContact O-N 3.15Å |
| 240 | V | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -49.2 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L51 M114 L134 I217 V218 V220 S238 R242 M243 L244 I247 | L51-V240 HydrophobicContact CD2-CG2 3.89Å; M114-V240 HydrophobicContact CE-CG2 4.38Å; L134-V240 HydrophobicContact CB-CG1 4.17Å; L134-V240 HydrophobicContact CD2-CG1 3.99Å; I217-V240 HydrophobicContact CD1-CG2 4.29Å; I217-V240 HydrophobicContact CG1-CG2 4.12Å; I217-V240 HydrophobicContact CG2-CG1 4.43Å; I217-V240 HydrophobicContact CG2-CG2 4.39Å; I217-V240 WeakPolarHBondContact O-CB 3.5Å; I217-V240 WeakPolarHBondContact O-CG1 3.45Å; V218-V240 PolarHBondContact O-N 3.28Å; V220-V240 HydrophobicContact CG2-CG2 4.06Å; S238-V240 PolarHBondContact O-N 3.47Å; V240-R242 VanDerWaalsContact C-N 3.25Å; V240-R242 PolarHBondContact O-N 3.22Å; V240-M243 CarbonylContact O-C 3.04Å; V240-M243 PolarHBondContact O-N 3.32Å; V240-L244 HydrophobicContact CG1-CD2 4.38Å; V240-L244 PolarHBondContact O-N 3.3Å; V240-I247 HydrophobicContact CB-CD1 4.39Å; V240-I247 HydrophobicContact CG1-CD1 3.87Å; V240-I247 HydrophobicContact CG2-CD1 4.49Å |
| 241 | P | 98.2 | Very high | 94 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -52.9 | -40.1 | 175.5 | -31.5 | 38.1 | 0 | 0 | 0 | 114.2 | A135 T136 I140 V218 M243 L244 | A135-P241 HydrophobicContact CB-CG 3.72Å; T136-P241 VanDerWaalsContact O-CB 3.28Å; T136-P241 WeakPolarHBondContact O-CB 3.33Å; T136-P241 VanDerWaalsContact O-CG 3.3Å; T136-P241 WeakPolarHBondContact O-CG 2.99Å; I140-P241 HydrophobicContact CD1-CB 4.29Å; I140-P241 HydrophobicContact CG1-CB 3.65Å; I140-P241 HydrophobicContact CG1-CG 3.99Å; V218-P241 VanDerWaalsContact O-CD 3.29Å; V218-P241 WeakPolarHBondContact O-CD 2.94Å; P241-M243 VanDerWaalsContact C-N 3.3Å; P241-M243 PolarHBondContact O-N 2.96Å; P241-L244 WeakPolarHBondContact O-CG 3.24Å |
| 242 | R | 97.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 34% | 0.336 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -77.9 | -16.7 | -178.5 | -62.9 | 177.3 | -179.1 | 114 | -3.5 | 113.3 | I140 D186 S239 V240 | I140-R242 HydrophobicContact CD1-CG 4.3Å; D186-R242 VanDerWaalsContact CG-NE 3.32Å; D186-R242 VanDerWaalsContact CG-NH2 3.29Å; D186-R242 WeakPolarHBondContact O-CD 3.4Å; D186-R242 VanDerWaalsContact O-CZ 3.3Å; D186-R242 PolarHBondContact O-NH1 3.09Å; D186-R242 IonicContact OD1-CZ 2.85Å; D186-R242 IonicContact OD1-NH1 3.79Å; D186-R242 IonicContact OD1-NH2 3.13Å; D186-R242 PolarHBondContact OD1-NH2 2.95Å; D186-R242 IonicContact OD2-CZ 2.79Å; D186-R242 IonicContact OD2-NE 3.64Å; D186-R242 PolarHBondContact OD2-NE 3.45Å; D186-R242 IonicContact OD2-NH1 2.77Å; D186-R242 IonicContact OD2-NH2 3.24Å; D186-R242 PolarHBondContact OD2-NH2 2.93Å; S239-R242 PolarHBondContact O-N 2.91Å; S239-R242 WeakPolarHBondContact OG-CG 3.38Å; S239-R242 PolarHBondContact OG-NH1 2.03Å; V240-R242 VanDerWaalsContact C-N 3.25Å; V240-R242 PolarHBondContact O-N 3.22Å |
| 243 | M | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -108 | 9.7 | -176.1 | -65.9 | -64.4 | -68.5 | 0 | 0 | 113.3 | A89 Y112 M114 S239 V240 P241 K245 F246 I247 | A89-M243 HydrophobicContact CB-CE 3.54Å; Y112-M243 HydrophobicContact CD1-CE 4.39Å; Y112-M243 HydrophobicContact CD1-SD 3.94Å; M114-M243 HydrophobicContact CB-CE 4.25Å; M114-M243 HydrophobicContact CE-CB 3.44Å; M114-M243 VanDerWaalsContact CE-CB 3.44Å; M114-M243 HydrophobicContact CE-CG 3.56Å; M114-M243 HydrophobicContact SD-CB 3.44Å; M114-M243 WeakPolarHBondContact SD-CB 3.35Å; M114-M243 HydrophobicContact SD-CE 4.35Å; M114-M243 HydrophobicContact SD-CG 3.99Å; S239-M243 WeakPolarHBondContact O-CB 3.4Å; S239-M243 VanDerWaalsContact O-CG 3.22Å; S239-M243 WeakPolarHBondContact O-CG 3.43Å; S239-M243 PolarHBondContact O-N 2.71Å; S239-M243 VanDerWaalsContact O-N 3.15Å; V240-M243 CarbonylContact O-C 3.04Å; V240-M243 PolarHBondContact O-N 3.32Å; P241-M243 VanDerWaalsContact C-N 3.3Å; P241-M243 PolarHBondContact O-N 2.96Å; M243-K245 PolarHBondContact O-N 3.35Å; M243-K245 VanDerWaalsContact O-N 3.16Å; M243-F246 HydrophobicContact CE-CB 4.2Å; M243-F246 HydrophobicContact CE-CD1 4.29Å; M243-F246 HydrophobicContact CE-CG 4.46Å; M243-F246 WeakPolarHBondContact O-CA 3.47Å; M243-F246 WeakPolarHBondContact O-CB 3.49Å; M243-F246 PolarHBondContact O-N 2.95Å; M243-I247 HydrophobicContact CB-CD1 4.12Å; M243-I247 HydrophobicContact CB-CG1 4.49Å; M243-I247 WeakPolarHBondContact O-CG1 3.5Å; M243-I247 PolarHBondContact O-N 3.35Å |
| 244 | L | 98.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.3 | -33.8 | -179.3 | -70 | 176.7 | 0 | 0 | 0 | 113.5 | L134 E137 V240 P241 F246 I247 L248 | L134-L244 HydrophobicContact CB-CD2 4.29Å; L134-L244 HydrophobicContact CD1-CD2 4.17Å; E137-L244 HydrophobicContact CG-CD1 4.29Å; V240-L244 HydrophobicContact CG1-CD2 4.38Å; V240-L244 PolarHBondContact O-N 3.3Å; P241-L244 WeakPolarHBondContact O-CG 3.24Å; L244-F246 PolarHBondContact O-N 3.14Å; L244-I247 PolarHBondContact O-N 2.89Å; L244-L248 HydrophobicContact CB-CD1 4.14Å; L244-L248 HydrophobicContact CB-CG 4.36Å; L244-L248 HydrophobicContact CD2-CG 4.38Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.47Å; L244-L248 PolarHBondContact O-N 3.11Å |
| 245 | K | 97.8 | Very high | 97.4 | Very high | 191 Ų | 191 | 37.1 Ų | 37.1 | 83% | 0.83 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.1 | -31.3 | 175.5 | -68.9 | -176 | -179.2 | 175.4 | 0 | 113.1 | M243 P249 | M243-K245 PolarHBondContact O-N 3.35Å; M243-K245 VanDerWaalsContact O-N 3.16Å; K245-P249 WeakPolarHBondContact O-CD 3.26Å; K245-P249 WeakPolarHBondContact O-CG 3.08Å |
| 246 | F | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -83.4 | -43.2 | 171.8 | 167 | -107.6 | 0 | 0 | 0 | 111.2 | K87 A89 M114 I116 M243 L244 N250 | K87-F246 HydrophobicContact CB-CE2 4.45Å; K87-F246 HydrophobicContact CB-CZ 4.44Å; A89-F246 HydrophobicContact CB-CD1 4.1Å; A89-F246 HydrophobicContact CB-CD2 4.4Å; A89-F246 HydrophobicContact CB-CE1 4.16Å; A89-F246 HydrophobicContact CB-CE2 4.45Å; A89-F246 HydrophobicContact CB-CG 4.22Å; A89-F246 HydrophobicContact CB-CZ 4.34Å; A89-F246 VanDerWaalsContact N-CZ 3.33Å; M114-F246 HydrophobicContact CB-CD1 4.44Å; M114-F246 HydrophobicContact CB-CE1 4.27Å; M114-F246 HydrophobicContact CG-CD1 4.11Å; M114-F246 HydrophobicContact CG-CE1 3.92Å; M114-F246 HydrophobicContact SD-CD1 3.89Å; M114-F246 HydrophobicContact SD-CE1 4.27Å; I116-F246 HydrophobicContact CG1-CE1 3.98Å; I116-F246 HydrophobicContact CG1-CZ 4.16Å; M243-F246 HydrophobicContact CE-CB 4.2Å; M243-F246 HydrophobicContact CE-CD1 4.29Å; M243-F246 HydrophobicContact CE-CG 4.46Å; M243-F246 WeakPolarHBondContact O-CA 3.47Å; M243-F246 WeakPolarHBondContact O-CB 3.49Å; M243-F246 PolarHBondContact O-N 2.95Å; L244-F246 PolarHBondContact O-N 3.14Å; F246-N250 PolarHBondContact O-ND2 3.43Å |
| 247 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -54.5 | -172.7 | -62.7 | 160.2 | 0 | 0 | 0 | 111.9 | L51 M114 I116 L134 V240 M243 L244 N250 I251 | L51-I247 HydrophobicContact CD1-CD1 4.49Å; L51-I247 HydrophobicContact CD1-CG1 4.3Å; L51-I247 HydrophobicContact CD2-CD1 4.35Å; M114-I247 HydrophobicContact CE-CD1 4.13Å; M114-I247 HydrophobicContact SD-CD1 3.51Å; M114-I247 VanDerWaalsContact SD-CD1 3.51Å; M114-I247 HydrophobicContact SD-CG1 3.43Å; M114-I247 WeakPolarHBondContact SD-CG1 3.47Å; I116-I247 HydrophobicContact CD1-CG2 4.25Å; L134-I247 HydrophobicContact CD1-CG2 3.55Å; L134-I247 HydrophobicContact CD2-CG2 4.25Å; V240-I247 HydrophobicContact CB-CD1 4.39Å; V240-I247 HydrophobicContact CG1-CD1 3.87Å; V240-I247 HydrophobicContact CG2-CD1 4.49Å; M243-I247 HydrophobicContact CB-CD1 4.12Å; M243-I247 HydrophobicContact CB-CG1 4.49Å; M243-I247 WeakPolarHBondContact O-CG1 3.5Å; M243-I247 PolarHBondContact O-N 3.35Å; L244-I247 PolarHBondContact O-N 2.89Å; I247-N250 PolarHBondContact O-N 3.08Å; I247-I251 HydrophobicContact CG2-CD1 4.49Å; I247-I251 HydrophobicContact CG2-CG2 3.94Å; I247-I251 PolarHBondContact O-N 3.16Å |
| 248 | L | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -59.9 | -41 | -166.2 | -64.8 | 173.5 | 0 | 0 | 0 | 114.1 | L134 L244 N250 I251 | L134-L248 HydrophobicContact CD1-CD2 3.85Å; L244-L248 HydrophobicContact CB-CD1 4.14Å; L244-L248 HydrophobicContact CB-CG 4.36Å; L244-L248 HydrophobicContact CD2-CG 4.38Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.47Å; L244-L248 PolarHBondContact O-N 3.11Å; L248-N250 PolarHBondContact O-N 2.78Å; L248-I251 HydrophobicContact CD2-CD1 4.47Å |
| 249 | P | 98.2 | Very high | 98.1 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -71.9 | -7.2 | 177.4 | -19 | 34.1 | 0 | 0 | 0 | 114.6 | K245 | K245-P249 WeakPolarHBondContact O-CD 3.26Å; K245-P249 WeakPolarHBondContact O-CG 3.08Å |
| 250 | N | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -115.5 | 2.5 | -170.1 | -70.4 | -58.1 | 0 | 0 | 0 | 114.6 | K87 I116 F246 I247 L248 | K87-N250 HydrophobicContact CD-CB 4.29Å; K87-N250 WeakPolarHBondContact CD-OD1 3.5Å; K87-N250 WeakPolarHBondContact CE-OD1 3.33Å; K87-N250 PolarHBondContact NZ-OD1 2.79Å; I116-N250 HydrophobicContact CB-CB 4.45Å; I116-N250 HydrophobicContact CG1-CB 4.17Å; I116-N250 WeakPolarHBondContact CG2-O 3.5Å; F246-N250 PolarHBondContact O-ND2 3.43Å; I247-N250 PolarHBondContact O-N 3.08Å; L248-N250 PolarHBondContact O-N 2.78Å |
| 251 | I | 96.6 | Very high | 98 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | trans | -103 | 0 | -178.9 | 60.8 | 172.7 | 0 | 0 | 0 | 114.6 | V45 S46 A49 I116 L134 I247 L248 | V45-I251 HydrophobicContact CG2-CB 4.47Å; V45-I251 HydrophobicContact CG2-CG2 3.65Å; S46-I251 WeakPolarHBondContact CB-OXT 3.43Å; S46-I251 PolarHBondContact OG-OXT 3.29Å; A49-I251 HydrophobicContact CB-CB 3.74Å; A49-I251 HydrophobicContact CB-CG2 3.73Å; I116-I251 HydrophobicContact CD1-CG2 4Å; I116-I251 HydrophobicContact CG2-CG2 4.31Å; L134-I251 HydrophobicContact CD1-CD1 4.08Å; I247-I251 HydrophobicContact CG2-CD1 4.49Å; I247-I251 HydrophobicContact CG2-CG2 3.94Å; I247-I251 PolarHBondContact O-N 3.16Å; L248-I251 HydrophobicContact CD2-CD1 4.47Å |
Retrieved 251 of 251 residues in 231.3 ms
(Link to these results)