| 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 | 34 | Very low | 31.2 | Very low | 233 Ų | 233 | 133.9 Ų | 133.9 | 100% | 1.148 | 69% | 0.69 | S | S | * | * | 0 | 86.6 | 0 | -76.5 | -167.1 | -153.1 | 0 | 0 | 105.6 | T3 | M1-T3 PolarHBondContact O-N 2.57Š| |||
| 2 | D | 29.7 | Very low | 30.8 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | trans | -82.9 | 104.5 | -179.3 | -61.6 | -47.7 | 0 | 0 | 0 | 107.9 | ||||
| 3 | T | 30.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | trans | -78.6 | 123.5 | 173.7 | 36.6 | 0 | 0 | 0 | 0 | 109.3 | M1 E5 C6 | M1-T3 PolarHBondContact O-N 2.57Å; T3-E5 PolarHBondContact O-N 3.06Å; T3-C6 PolarHBondContact O-N 2.88Å | ||
| 4 | P | 33 | Very low | 31.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -15.6 | -178.3 | -22.9 | 33.3 | 0 | 0 | 0 | 114.8 | C6 Q7 | P4-C6 PolarHBondContact O-N 3.07Å; P4-C6 VanDerWaalsContact O-N 3.14Å; P4-Q7 PolarHBondContact O-N 3.43Å |
| 5 | E | 32.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.4 | -17.3 | -178.5 | -69.5 | -175.1 | 148.5 | 0 | 0 | 114.7 | T3 | T3-E5 PolarHBondContact O-N 3.06Å |
| 6 | C | 31.7 | Very low | 32.3 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 51% | 0.507 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -78.6 | -32.6 | 178.8 | -142.5 | 0 | 0 | 0 | 0 | 112.4 | T3 P4 M10 | T3-C6 PolarHBondContact O-N 2.88Å; P4-C6 PolarHBondContact O-N 3.07Å; P4-C6 VanDerWaalsContact O-N 3.14Å; C6-M10 WeakPolarHBondContact O-CG 3.45Å; C6-M10 PolarHBondContact O-N 3.24Å |
| 7 | Q | 30.3 | Very low | 33.9 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.5 | -37.5 | -176.6 | -75.1 | -179.1 | -18.1 | 0 | 0 | 112.7 | P4 R9 M10 | P4-Q7 PolarHBondContact O-N 3.43Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 2.97Å; Q7-M10 PolarHBondContact O-N 2.89Å |
| 8 | D | 31.1 | Very low | 36 | Very low | 127 Ų | 127 | 125 Ų | 125 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.8 | -25.4 | 176.1 | -87.2 | -23.5 | 0 | 0 | 0 | 113.1 | C12 | D8-C12 PolarHBondContact O-SG 3.49Å |
| 9 | R | 31.1 | Very low | 38.3 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 56% | 0.562 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.7 | -27.4 | 172.5 | -76.7 | -175 | 178.2 | -177.6 | 4.3 | 113.1 | Q7 L11 C12 | Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 2.97Å; R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3.48Å; R9-C12 PolarHBondContact O-N 2.94Å |
| 10 | M | 31.2 | Very low | 40.7 | Very low | 85 Ų | 85 | 113.7 Ų | 113.7 | 42% | 0.419 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.6 | -30.4 | 178.6 | -80.9 | -171.1 | 159 | 0 | 0 | 113.3 | C6 Q7 M91 | C6-M10 WeakPolarHBondContact O-CG 3.45Å; C6-M10 PolarHBondContact O-N 3.24Å; Q7-M10 PolarHBondContact O-N 2.89Å; M10-M91 HydrophobicContact CE-CB 4.22Å; M10-M91 HydrophobicContact CE-CG 3.84Å |
| 11 | L | 27.7 | Very low | 43 | Very low | 150 Ų | 150 | 108.5 Ų | 108.5 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -17.3 | 178.2 | -91.1 | 121.7 | 0 | 0 | 0 | 114.3 | R9 | R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3.48Å |
| 12 | C | 27 | Very low | 45.5 | Very low | 102 Ų | 102 | 98.5 Ų | 98.5 | 69% | 0.689 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -99.4 | 4 | -167.1 | -70.6 | 0 | 0 | 0 | 0 | 115.8 | D8 R9 | D8-C12 PolarHBondContact O-SG 3.49Å; R9-C12 PolarHBondContact O-N 2.94Å |
| 13 | Q | 33.9 | Very low | 48.1 | Very low | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | trans | -133.3 | 39.8 | -172.2 | -70.8 | -169.5 | -14.3 | 0 | 0 | 115.5 | N15 | Q13-N15 PolarHBondContact O-N 2.78Š| ||
| 14 | K | 32.5 | Very low | 50.9 | Low | 189 Ų | 189 | 90.9 Ų | 90.9 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | trans | -62.9 | 6.9 | 166.5 | -86.4 | -169.2 | 172.1 | -170.2 | 0 | 115.4 | ||||
| 15 | N | 35 | Very low | 53.6 | Low | 156 Ų | 156 | 89.1 Ų | 89.1 | 83% | 0.834 | 45% | 0.454 | S | S | * | . | trans | -117.3 | 27.7 | -159.9 | -71 | -4.4 | 0 | 0 | 0 | 116 | Q13 | Q13-N15 PolarHBondContact O-N 2.78Š| ||
| 16 | G | 45.9 | Very low | 56.4 | Low | 33 Ų | 33 | 83 Ų | 83 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -91.8 | 117 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q18 | G16-Q18 PolarHBondContact O-N 3.12Š|
| 17 | K | 58 | Low | 59.3 | Low | 157 Ų | 157 | 80.5 Ų | 80.5 | 68% | 0.683 | 41% | 0.405 | S | S | * | . | trans | -52.6 | 111.6 | 175.5 | -84.9 | -173.9 | 174.6 | -172.6 | 0 | 108.4 | ||||
| 18 | Q | 72.2 | Confident | 62.2 | Low | 42 Ų | 42 | 74.7 Ų | 74.7 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | trans | -65 | 144.6 | 176.2 | -57.3 | -157.2 | 40.6 | 0 | 0 | 108 | G16 T95 E460 I464 | G16-Q18 PolarHBondContact O-N 3.12Å; Q18-T95 PolarHBondContact OE1-OG1 3.36Å; Q18-E460 PolarHBondContact NE2-OE1 3.36Å; Q18-I464 HydrophobicContact CB-CD1 3.7Å; Q18-I464 HydrophobicContact CB-CG1 4.34Å; Q18-I464 WeakPolarHBondContact O-CG1 3.41Å | ||
| 19 | C | 79.4 | Confident | 64.9 | Low | 20 Ų | 20 | 69.7 Ų | 69.7 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | trans | -153 | 157.8 | 170.3 | 68.2 | 0 | 0 | 0 | 0 | 107.8 | W21 L24 S468 | C19-W21 PolarHBondContact O-N 3.25Å; C19-L24 VanDerWaalsContact SG-CD2 3.5Å; C19-S468 WeakPolarHBondContact CB-OG 3.35Å | ||
| 20 | P | 86.8 | Confident | 67.7 | Low | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | trans | -55.1 | 144.4 | 174.8 | -24.6 | 33.6 | 0 | 0 | 0 | 110.8 | T22 K23 L443 E453 I464 L470 | P20-T22 PolarHBondContact O-N 3.03Å; P20-T22 VanDerWaalsContact O-N 3.14Å; P20-K23 HydrophobicContact CB-CG 4.36Å; P20-K23 WeakPolarHBondContact O-CA 3.33Å; P20-K23 WeakPolarHBondContact O-CB 3.31Å; P20-K23 PolarHBondContact O-N 3.32Å; P20-L443 HydrophobicContact CG-CB 4.41Å; P20-L443 HydrophobicContact CG-CD1 4.01Å; P20-E453 WeakPolarHBondContact CA-OE2 3.49Å; P20-I464 HydrophobicContact CG-CG2 4.48Å; P20-L470 HydrophobicContact CG-CD1 3.44Å; P20-L470 VanDerWaalsContact CG-CD1 3.44Å; P20-L470 HydrophobicContact CG-CD2 3.79Å; P20-L470 HydrophobicContact CG-CG 4.25Å | ||
| 21 | W | 88.7 | Confident | 70.5 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -61.5 | -28.6 | -174 | 74.5 | -80.5 | 0 | 0 | 0 | 113.3 | C19 K23 L24 F27 L48 A50 P58 I96 E453 | C19-W21 PolarHBondContact O-N 3.25Å; W21-K23 PolarHBondContact O-N 2.85Å; W21-L24 HydrophobicContact CB-CD1 4.14Å; W21-L24 WeakPolarHBondContact O-CB 3.28Å; W21-L24 PolarHBondContact O-N 3.05Å; W21-F27 AromaticContact CE3-CD2 3.71Å; W21-F27 HydrophobicContact CE3-CD2 3.71Å; W21-F27 AromaticContact CE3-CE2 3.63Å; W21-F27 HydrophobicContact CE3-CE2 3.63Å; W21-F27 HydrophobicContact CE3-CZ 4.39Å; W21-F27 AromaticContact CH2-CE2 3.81Å; W21-F27 HydrophobicContact CH2-CE2 3.81Å; W21-F27 HydrophobicContact CH2-CZ 4.27Å; W21-F27 AromaticContact CZ3-CD2 3.64Å; W21-F27 HydrophobicContact CZ3-CD2 3.64Å; W21-F27 AromaticContact CZ3-CE2 3.16Å; W21-F27 HydrophobicContact CZ3-CE2 3.16Å; W21-F27 AromaticContact CZ3-CZ 3.98Å; W21-F27 HydrophobicContact CZ3-CZ 3.98Å; W21-F27 WeakPolarHBondContact O-CB 3.5Å; W21-L48 HydrophobicContact CB-CD2 3.98Å; W21-L48 HydrophobicContact CD2-CD2 4.36Å; W21-L48 HydrophobicContact CE3-CD1 4.36Å; W21-L48 HydrophobicContact CE3-CD2 3.54Å; W21-L48 HydrophobicContact CE3-CG 3.77Å; W21-L48 HydrophobicContact CZ3-CD2 4.38Å; W21-L48 HydrophobicContact CZ3-CG 4.11Å; W21-A50 HydrophobicContact CH2-CB 3.63Å; W21-A50 HydrophobicContact CZ3-CB 4.31Å; W21-P58 HydrophobicContact CD2-CB 4.31Å; W21-P58 HydrophobicContact CE3-CB 4.1Å; W21-P58 HydrophobicContact CH2-CB 3.71Å; W21-P58 HydrophobicContact CZ2-CB 4.03Å; W21-P58 HydrophobicContact CZ3-CB 3.75Å; W21-I96 HydrophobicContact CB-CB 3.78Å; W21-I96 HydrophobicContact CB-CD1 3.88Å; W21-I96 HydrophobicContact CB-CG1 4.41Å; W21-I96 HydrophobicContact CB-CG2 3.97Å; W21-I96 HydrophobicContact CD2-CD1 3.99Å; W21-I96 HydrophobicContact CG-CD1 3.68Å; W21-E453 VanDerWaalsContact CD1-OE2 3.26Å; W21-E453 PolarHBondContact N-OE2 2.82Å |
| 22 | T | 86.3 | Confident | 73.6 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -70.5 | -11.1 | 174.8 | 59 | 0 | 0 | 0 | 0 | 113.7 | P20 F27 E450 | P20-T22 PolarHBondContact O-N 3.03Å; P20-T22 VanDerWaalsContact O-N 3.14Å; T22-F27 HydrophobicContact CG2-CE1 4.01Å; T22-F27 HydrophobicContact CG2-CZ 4.1Å; T22-F27 WeakPolarHBondContact O-CD1 3.37Å; T22-E450 HydrophobicContact CG2-CG 4.39Å |
| 23 | K | 85.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -103.4 | -1.7 | 175.3 | -59.4 | -64 | -173 | 175.9 | 0 | 113.1 | P20 W21 L470 | P20-K23 HydrophobicContact CB-CG 4.36Å; P20-K23 WeakPolarHBondContact O-CA 3.33Å; P20-K23 WeakPolarHBondContact O-CB 3.31Å; P20-K23 PolarHBondContact O-N 3.32Å; W21-K23 PolarHBondContact O-N 2.85Å; K23-L470 HydrophobicContact CG-CD2 4.13Å |
| 24 | L | 88.9 | Confident | 79.4 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -67.2 | 139 | 176.7 | -68.7 | 167.8 | 0 | 0 | 0 | 110.2 | C19 W21 F26 F27 L48 | C19-L24 VanDerWaalsContact SG-CD2 3.5Å; W21-L24 HydrophobicContact CB-CD1 4.14Å; W21-L24 WeakPolarHBondContact O-CB 3.28Å; W21-L24 PolarHBondContact O-N 3.05Å; L24-F26 HydrophobicContact CB-CD2 4.42Å; L24-F26 HydrophobicContact CB-CE1 4.32Å; L24-F26 HydrophobicContact CB-CE2 4.08Å; L24-F26 HydrophobicContact CB-CZ 4.04Å; L24-F26 HydrophobicContact CD1-CE2 3.85Å; L24-F26 HydrophobicContact CD1-CZ 3.83Å; L24-F26 HydrophobicContact CD2-CE1 4.34Å; L24-F26 HydrophobicContact CD2-CZ 4.02Å; L24-F26 HydrophobicContact CG-CE2 4.45Å; L24-F26 HydrophobicContact CG-CZ 4.19Å; L24-F26 PolarHBondContact O-N 2.85Å; L24-F26 VanDerWaalsContact O-N 3.09Å; L24-F27 HydrophobicContact CB-CB 4.45Å; L24-F27 VanDerWaalsContact O-CB 3.3Å; L24-F27 WeakPolarHBondContact O-CB 3.3Å; L24-F27 PolarHBondContact O-N 2.9Å; L24-L48 HydrophobicContact CD1-CD2 3.81Å |
| 25 | P | 89 | Confident | 82.3 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.4 | -175.4 | 25.5 | -34.4 | 0 | 0 | 0 | 113.3 | E125 N126 | P25-E125 HydrophobicContact CB-CG 4.46Å; P25-E125 CarbonylContact O-C 3.6Å; P25-E125 VanDerWaalsContact O-CA 3.3Å; P25-E125 WeakPolarHBondContact O-CA 3.3Å; P25-N126 PolarHBondContact O-N 2.59Å |
| 26 | F | 92.7 | Very high | 85 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.4 | 176.2 | 53.2 | -98 | 0 | 0 | 0 | 112.9 | L24 H28 F46 L48 I100 P123 V124 | L24-F26 HydrophobicContact CB-CD2 4.42Å; L24-F26 HydrophobicContact CB-CE1 4.32Å; L24-F26 HydrophobicContact CB-CE2 4.08Å; L24-F26 HydrophobicContact CB-CZ 4.04Å; L24-F26 HydrophobicContact CD1-CE2 3.85Å; L24-F26 HydrophobicContact CD1-CZ 3.83Å; L24-F26 HydrophobicContact CD2-CE1 4.34Å; L24-F26 HydrophobicContact CD2-CZ 4.02Å; L24-F26 HydrophobicContact CG-CE2 4.45Å; L24-F26 HydrophobicContact CG-CZ 4.19Å; L24-F26 PolarHBondContact O-N 2.85Å; L24-F26 VanDerWaalsContact O-N 3.09Å; F26-H28 PolarHBondContact O-CD2 2.87Å; F26-F46 HydrophobicContact CD2-CE2 4.17Å; F26-F46 HydrophobicContact CE2-CE2 4.15Å; F26-F46 HydrophobicContact CG-CE2 4.37Å; F26-F46 HydrophobicContact CZ-CE2 4.31Å; F26-L48 HydrophobicContact CD2-CB 3.95Å; F26-L48 HydrophobicContact CE2-CB 4.19Å; F26-L48 HydrophobicContact CE2-CD2 4.49Å; F26-L48 PolarHBondContact O-N 3.22Å; F26-I100 HydrophobicContact CE2-CD1 3.83Å; F26-I100 HydrophobicContact CE2-CG2 4.32Å; F26-I100 HydrophobicContact CZ-CD1 4.34Å; F26-I100 HydrophobicContact CZ-CG2 4.06Å; F26-P123 HydrophobicContact CB-CB 3.93Å; F26-P123 HydrophobicContact CD1-CB 3.51Å; F26-P123 HydrophobicContact CD1-CG 4.5Å; F26-P123 HydrophobicContact CE1-CB 4.27Å; F26-P123 HydrophobicContact CG-CB 3.87Å; F26-V124 WeakPolarHBondContact CA-O 3.45Å; F26-V124 WeakPolarHBondContact CB-O 3.17Å |
| 27 | F | 92.3 | Very high | 87.3 | Confident | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.8 | 169.4 | 175.6 | -117.4 | 0 | 0 | 0 | 111.3 | W21 T22 L24 L48 A50 N126 | W21-F27 AromaticContact CE3-CD2 3.71Å; W21-F27 HydrophobicContact CE3-CD2 3.71Å; W21-F27 AromaticContact CE3-CE2 3.63Å; W21-F27 HydrophobicContact CE3-CE2 3.63Å; W21-F27 HydrophobicContact CE3-CZ 4.39Å; W21-F27 AromaticContact CH2-CE2 3.81Å; W21-F27 HydrophobicContact CH2-CE2 3.81Å; W21-F27 HydrophobicContact CH2-CZ 4.27Å; W21-F27 AromaticContact CZ3-CD2 3.64Å; W21-F27 HydrophobicContact CZ3-CD2 3.64Å; W21-F27 AromaticContact CZ3-CE2 3.16Å; W21-F27 HydrophobicContact CZ3-CE2 3.16Å; W21-F27 AromaticContact CZ3-CZ 3.98Å; W21-F27 HydrophobicContact CZ3-CZ 3.98Å; W21-F27 WeakPolarHBondContact O-CB 3.5Å; T22-F27 HydrophobicContact CG2-CE1 4.01Å; T22-F27 HydrophobicContact CG2-CZ 4.1Å; T22-F27 WeakPolarHBondContact O-CD1 3.37Å; L24-F27 HydrophobicContact CB-CB 4.45Å; L24-F27 VanDerWaalsContact O-CB 3.3Å; L24-F27 WeakPolarHBondContact O-CB 3.3Å; L24-F27 PolarHBondContact O-N 2.9Å; F27-L48 CarbonylContact C-O 3.44Å; F27-L48 VanDerWaalsContact CA-O 3.29Å; F27-L48 WeakPolarHBondContact CA-O 3.3Å; F27-L48 HydrophobicContact CD2-CB 4.5Å; F27-L48 HydrophobicContact CD2-CG 4.24Å; F27-A50 HydrophobicContact CE2-CB 4.25Å; F27-A50 HydrophobicContact CZ-CB 4.34Å; F27-N126 WeakPolarHBondContact O-CB 3.48Å; F27-N126 PolarHBondContact O-ND2 3.04Å |
| 28 | H | 91.4 | Very high | 88.8 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 16.1 | -174.6 | -73.7 | -113.5 | 0 | 0 | 0 | 113.7 | F26 T31 V36 H39 L47 L48 F49 V124 | F26-H28 PolarHBondContact O-CD2 2.87Å; H28-T31 HydrophobicContact CB-CG2 4.34Å; H28-V36 HydrophobicContact CB-CG1 4.22Å; H28-H39 AromaticContact ND1-CD2 3.81Å; H28-L47 HydrophobicContact CB-CD1 4.45Å; H28-L48 PolarHBondContact N-O 2.93Å; H28-F49 HydrophobicContact CB-CB 4.38Å; H28-V124 PolarHBondContact NE2-O 2.84Å |
| 29 | G | 87.7 | Confident | 89.7 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | -161.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A50 | G29-A50 PolarHBondContact O-N 2.84Å |
| 30 | Q | 89.3 | Confident | 90.4 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.2 | 173.3 | -174.7 | -174.7 | -6.7 | 0 | 0 | 110.1 | A50 C56 | Q30-A50 WeakPolarHBondContact CA-O 3.13Å; Q30-A50 HydrophobicContact CB-CB 4.22Å; Q30-C56 PolarHBondContact NE2-SG 2.66Å |
| 31 | T | 90.2 | Very high | 90.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 177.5 | -171.9 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | H28 E35 V36 F49 A50 S52 | H28-T31 HydrophobicContact CB-CG2 4.34Å; T31-E35 WeakPolarHBondContact OG1-CB 3.45Å; T31-E35 PolarHBondContact OG1-OE2 3.43Å; T31-V36 HydrophobicContact CG2-CG1 3.39Å; T31-F49 HydrophobicContact CG2-CB 3.61Å; T31-F49 HydrophobicContact CG2-CD2 3.79Å; T31-F49 HydrophobicContact CG2-CG 4.01Å; T31-F49 WeakPolarHBondContact O-CD2 3.3Å; T31-A50 PolarHBondContact N-O 2.81Å; T31-A50 VanDerWaalsContact N-O 3.07Å; T31-S52 PolarHBondContact O-N 2.95Å; T31-S52 VanDerWaalsContact O-N 3.09Å; T31-S52 PolarHBondContact O-OG 2.75Å |
| 32 | T | 92.1 | Very high | 90.9 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | trans | -104.3 | 158.8 | 178.9 | 65.7 | 0 | 0 | 0 | 0 | 112 | A34 E35 V36 S52 T53 | T32-A34 PolarHBondContact O-N 2.7Å; T32-E35 PolarHBondContact N-OE2 2.88Å; T32-E35 PolarHBondContact O-N 2.86Å; T32-E35 WeakPolarHBondContact OG1-CG 3.48Å; T32-E35 PolarHBondContact OG1-OE2 2.81Å; T32-V36 PolarHBondContact O-N 3.08Å; T32-S52 VanDerWaalsContact CG2-OG 3.3Å; T32-S52 WeakPolarHBondContact CG2-OG 3.48Å; T32-T53 HydrophobicContact CG2-CG2 4.19Å | ||
| 33 | L | 92.1 | Very high | 91.2 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.6 | -38.1 | 174 | 179.5 | 55.4 | 0 | 0 | 0 | 112.9 | E35 V36 T37 V69 T71 | L33-E35 VanDerWaalsContact C-N 3.28Å; L33-E35 PolarHBondContact O-N 3Å; L33-V36 HydrophobicContact CD1-CG2 4.14Å; L33-V36 WeakPolarHBondContact O-CG2 3.47Å; L33-V36 PolarHBondContact O-N 3.27Å; L33-T37 WeakPolarHBondContact O-CB 3.45Å; L33-T37 PolarHBondContact O-N 3.43Å; L33-T37 PolarHBondContact O-OG1 2.87Å; L33-V69 HydrophobicContact CD1-CG1 3.96Å; L33-T71 HydrophobicContact CB-CG2 4.23Å; L33-T71 HydrophobicContact CD1-CG2 3.43Å; L33-T71 VanDerWaalsContact CD1-CG2 3.43Å; L33-T71 HydrophobicContact CD2-CG2 3.76Å; L33-T71 HydrophobicContact CG-CG2 3.98Å |
| 34 | A | 92.2 | Very high | 91.5 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.3 | -33.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T32 | T32-A34 PolarHBondContact O-N 2.7Å |
| 35 | E | 91.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.2 | -49.7 | 177.1 | -71.4 | 170.3 | 148.4 | 0 | 0 | 110.6 | T31 T32 L33 T37 K38 | T31-E35 WeakPolarHBondContact OG1-CB 3.45Å; T31-E35 PolarHBondContact OG1-OE2 3.43Å; T32-E35 PolarHBondContact N-OE2 2.88Å; T32-E35 PolarHBondContact O-N 2.86Å; T32-E35 WeakPolarHBondContact OG1-CG 3.48Å; T32-E35 PolarHBondContact OG1-OE2 2.81Å; L33-E35 VanDerWaalsContact C-N 3.28Å; L33-E35 PolarHBondContact O-N 3Å; E35-T37 VanDerWaalsContact C-N 3.34Å; E35-T37 PolarHBondContact O-N 2.89Å; E35-K38 WeakPolarHBondContact O-CB 3.1Å; E35-K38 PolarHBondContact O-N 3.24Å |
| 36 | V | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.9 | -26.6 | -174.7 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | H28 T31 T32 L33 K38 H39 L47 F49 A61 | H28-V36 HydrophobicContact CB-CG1 4.22Å; T31-V36 HydrophobicContact CG2-CG1 3.39Å; T32-V36 PolarHBondContact O-N 3.08Å; L33-V36 HydrophobicContact CD1-CG2 4.14Å; L33-V36 WeakPolarHBondContact O-CG2 3.47Å; L33-V36 PolarHBondContact O-N 3.27Å; V36-K38 PolarHBondContact O-N 3.11Å; V36-K38 VanDerWaalsContact O-N 3.1Å; V36-H39 WeakPolarHBondContact O-CB 3.49Å; V36-H39 PolarHBondContact O-N 2.97Å; V36-L47 HydrophobicContact CB-CD1 3.66Å; V36-L47 HydrophobicContact CB-CD2 4.01Å; V36-L47 HydrophobicContact CB-CG 4.44Å; V36-L47 HydrophobicContact CG1-CD1 3.84Å; V36-L47 HydrophobicContact CG2-CD1 4.06Å; V36-F49 HydrophobicContact CG1-CB 4.39Å; V36-F49 HydrophobicContact CG1-CG 4.29Å; V36-F49 HydrophobicContact CG2-CD1 4.28Å; V36-F49 HydrophobicContact CG2-CE1 4.17Å; V36-F49 HydrophobicContact CG2-CZ 4.41Å; V36-A61 HydrophobicContact CG2-CB 4.11Å |
| 37 | T | 93.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.4 | 177 | -66.3 | 0 | 0 | 0 | 0 | 112 | L33 E35 H39 L40 V69 | L33-T37 WeakPolarHBondContact O-CB 3.45Å; L33-T37 PolarHBondContact O-N 3.43Å; L33-T37 PolarHBondContact O-OG1 2.87Å; E35-T37 VanDerWaalsContact C-N 3.34Å; E35-T37 PolarHBondContact O-N 2.89Å; T37-H39 PolarHBondContact O-N 3.32Å; T37-L40 PolarHBondContact O-N 3.4Å; T37-V69 HydrophobicContact CG2-CB 4.23Å; T37-V69 HydrophobicContact CG2-CG2 3.97Å |
| 38 | K | 91 | Very high | 92.6 | Very high | 160 Ų | 160 | 52.5 Ų | 52.5 | 70% | 0.696 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.5 | 179.3 | -58.1 | 171.9 | -172.3 | 170.5 | 0 | 112.8 | E35 V36 | E35-K38 WeakPolarHBondContact O-CB 3.1Å; E35-K38 PolarHBondContact O-N 3.24Å; V36-K38 PolarHBondContact O-N 3.11Å; V36-K38 VanDerWaalsContact O-N 3.1Å |
| 39 | H | 91.2 | Very high | 92.7 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -24.5 | -177.7 | -58.3 | -56.5 | 0 | 0 | 0 | 113.3 | H28 V36 T37 K41 L47 V124 | H28-H39 AromaticContact ND1-CD2 3.81Å; V36-H39 WeakPolarHBondContact O-CB 3.49Å; V36-H39 PolarHBondContact O-N 2.97Å; T37-H39 PolarHBondContact O-N 3.32Å; H39-K41 PolarHBondContact O-N 3.31Å; H39-L47 HydrophobicContact CB-CD2 4.07Å; H39-V124 HydrophobicContact CB-CG1 3.98Å |
| 40 | L | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -84.4 | 111.8 | -177.7 | -59.4 | 171.3 | 0 | 0 | 0 | 110.2 | T37 D45 L47 A61 R63 V69 V124 | T37-L40 PolarHBondContact O-N 3.4Å; L40-D45 HydrophobicContact CB-CB 4.31Å; L40-D45 HydrophobicContact CD2-CB 3.79Å; L40-L47 HydrophobicContact CD2-CD2 3.77Å; L40-L47 HydrophobicContact CD2-CG 4.04Å; L40-L47 HydrophobicContact CG-CD2 3.98Å; L40-A61 HydrophobicContact CD1-CB 3.89Å; L40-R63 HydrophobicContact CB-CB 4.09Å; L40-R63 WeakPolarHBondContact O-CD 3.48Å; L40-R63 PolarHBondContact O-NH1 3.02Å; L40-V69 HydrophobicContact CB-CG2 4.22Å; L40-V69 HydrophobicContact CD1-CB 4.33Å; L40-V69 HydrophobicContact CD1-CG1 3.47Å; L40-V69 VanDerWaalsContact CD1-CG1 3.47Å; L40-V69 HydrophobicContact CD1-CG2 3.86Å; L40-V124 HydrophobicContact CD2-CG2 3.91Å | ||
| 41 | K | 92 | Very high | 93.1 | Very high | 147 Ų | 147 | 46 Ų | 46 | 64% | 0.639 | 24% | 0.237 | S | C | * | . | trans | -109.7 | -40.6 | -171.6 | -66 | -179.6 | -178.3 | 179.8 | 0 | 113.4 | H39 D45 R63 | H39-K41 PolarHBondContact O-N 3.31Å; K41-D45 WeakPolarHBondContact CA-OD2 3.43Å; K41-D45 PolarHBondContact N-OD2 3.19Å; K41-R63 VanDerWaalsContact C-NE 3.34Å; K41-R63 PolarHBondContact O-NE 2.92Å; K41-R63 PolarHBondContact O-NH2 2.7Å | ||
| 42 | N | 92.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 47.7 Ų | 47.7 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -110.4 | 158.1 | -174.6 | -43.9 | -69.3 | 0 | 0 | 0 | 111.8 | G44 D45 R63 | N42-G44 PolarHBondContact O-N 3.16Å; N42-D45 WeakPolarHBondContact CB-OD1 3.33Å; N42-D45 PolarHBondContact N-OD2 2.58Å; N42-D45 PolarHBondContact ND2-OD1 2.81Å; N42-D45 VanDerWaalsContact O-CB 3.24Å; N42-D45 WeakPolarHBondContact O-CB 3.19Å; N42-D45 VanDerWaalsContact O-CG 3.27Å; N42-D45 PolarHBondContact O-N 2.98Å; N42-D45 VanDerWaalsContact O-N 3.1Å; N42-R63 WeakPolarHBondContact O-CB 3.38Å; N42-R63 WeakPolarHBondContact O-CD 3.37Å; N42-R63 WeakPolarHBondContact O-CG 3.38Å |
| 43 | E | 93 | Very high | 93.1 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 127.8 | 173.2 | -174.3 | -154.3 | 120.4 | 0 | 0 | 110.8 | D45 K121 | E43-D45 VanDerWaalsContact C-N 3.31Å; E43-K121 IonicContact OE1-NZ 3.99Å; E43-K121 PolarHBondContact OE1-NZ 3.48Å |
| 44 | G | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 3.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N42 R63 L119 K121 F122 | N42-G44 PolarHBondContact O-N 3.16Å; G44-R63 PolarHBondContact N-O 2.86Å; G44-L119 WeakPolarHBondContact CA-O 3.37Å; G44-K121 PolarHBondContact O-N 3.45Å; G44-F122 PolarHBondContact O-N 2.96Å |
| 45 | D | 96 | Very high | 92.6 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 136.6 | 162.1 | -74.6 | 6 | 0 | 0 | 0 | 108.8 | L40 K41 N42 E43 R63 F122 V124 | L40-D45 HydrophobicContact CB-CB 4.31Å; L40-D45 HydrophobicContact CD2-CB 3.79Å; K41-D45 WeakPolarHBondContact CA-OD2 3.43Å; K41-D45 PolarHBondContact N-OD2 3.19Å; N42-D45 WeakPolarHBondContact CB-OD1 3.33Å; N42-D45 PolarHBondContact N-OD2 2.58Å; N42-D45 PolarHBondContact ND2-OD1 2.81Å; N42-D45 VanDerWaalsContact O-CB 3.24Å; N42-D45 WeakPolarHBondContact O-CB 3.19Å; N42-D45 VanDerWaalsContact O-CG 3.27Å; N42-D45 PolarHBondContact O-N 2.98Å; N42-D45 VanDerWaalsContact O-N 3.1Å; E43-D45 VanDerWaalsContact C-N 3.31Å; D45-R63 HydrophobicContact CB-CB 4.38Å; D45-R63 PolarHBondContact O-N 3.23Å; D45-F122 WeakPolarHBondContact CA-O 3.35Å; D45-F122 WeakPolarHBondContact OD1-CB 3.09Å; D45-V124 HydrophobicContact CB-CG2 3.83Å |
| 46 | F | 96.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.4 | 175.3 | 70.3 | -88.2 | 0 | 0 | 0 | 112.2 | F26 L60 A61 V62 I100 V104 L120 F122 P123 V124 | F26-F46 HydrophobicContact CD2-CE2 4.17Å; F26-F46 HydrophobicContact CE2-CE2 4.15Å; F26-F46 HydrophobicContact CG-CE2 4.37Å; F26-F46 HydrophobicContact CZ-CE2 4.31Å; F46-L60 HydrophobicContact CB-CD1 4.39Å; F46-L60 HydrophobicContact CD2-CD1 3.89Å; F46-A61 CarbonylContact C-O 3.14Å; F46-A61 WeakPolarHBondContact CA-O 3.46Å; F46-V62 HydrophobicContact CB-CG1 4.5Å; F46-V62 HydrophobicContact CB-CG2 4.2Å; F46-I100 HydrophobicContact CE2-CG2 3.87Å; F46-I100 HydrophobicContact CZ-CG2 4.34Å; F46-V104 HydrophobicContact CE1-CG2 4.14Å; F46-V104 HydrophobicContact CZ-CG2 3.87Å; F46-L120 HydrophobicContact CB-CD2 3.94Å; F46-L120 HydrophobicContact CD1-CB 3.69Å; F46-L120 HydrophobicContact CD1-CD2 4.26Å; F46-L120 HydrophobicContact CD1-CG 4.47Å; F46-L120 HydrophobicContact CE1-CB 3.75Å; F46-L120 HydrophobicContact CG-CB 4.25Å; F46-L120 HydrophobicContact CG-CD2 4.09Å; F46-L120 HydrophobicContact CZ-CB 4.36Å; F46-F122 PolarHBondContact N-O 3.45Å; F46-P123 HydrophobicContact CE1-CB 4.07Å; F46-P123 HydrophobicContact CE1-CG 4.42Å; F46-P123 VanDerWaalsContact CE1-N 3.33Å; F46-P123 HydrophobicContact CE2-CB 3.85Å; F46-P123 HydrophobicContact CZ-CB 3.56Å; F46-P123 HydrophobicContact CZ-CG 4.09Å; F46-P123 CarbonylContact O-C 3.59Å; F46-P123 WeakPolarHBondContact O-CA 3.17Å; F46-V124 PolarHBondContact O-N 2.6Å |
| 47 | L | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 162.3 | 171.4 | 60.5 | 85.6 | 0 | 0 | 0 | 110.5 | H28 V36 H39 L40 F49 A61 V124 | H28-L47 HydrophobicContact CB-CD1 4.45Å; V36-L47 HydrophobicContact CB-CD1 3.66Å; V36-L47 HydrophobicContact CB-CD2 4.01Å; V36-L47 HydrophobicContact CB-CG 4.44Å; V36-L47 HydrophobicContact CG1-CD1 3.84Å; V36-L47 HydrophobicContact CG2-CD1 4.06Å; H39-L47 HydrophobicContact CB-CD2 4.07Å; L40-L47 HydrophobicContact CD2-CD2 3.77Å; L40-L47 HydrophobicContact CD2-CG 4.04Å; L40-L47 HydrophobicContact CG-CD2 3.98Å; L47-F49 HydrophobicContact CD1-CB 4.47Å; L47-F49 HydrophobicContact CD1-CD1 3.93Å; L47-A61 HydrophobicContact CD1-CB 3.94Å; L47-A61 HydrophobicContact CG-CB 4.18Å; L47-A61 PolarHBondContact N-O 3.3Å; L47-A61 PolarHBondContact O-N 3.04Å; L47-V124 HydrophobicContact CB-CB 4.35Å; L47-V124 HydrophobicContact CD2-CB 4.39Å |
| 48 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.3 | 178.3 | -173.1 | 63.6 | 0 | 0 | 0 | 109.8 | W21 L24 F26 F27 H28 L74 I96 I100 | W21-L48 HydrophobicContact CB-CD2 3.98Å; W21-L48 HydrophobicContact CD2-CD2 4.36Å; W21-L48 HydrophobicContact CE3-CD1 4.36Å; W21-L48 HydrophobicContact CE3-CD2 3.54Å; W21-L48 HydrophobicContact CE3-CG 3.77Å; W21-L48 HydrophobicContact CZ3-CD2 4.38Å; W21-L48 HydrophobicContact CZ3-CG 4.11Å; L24-L48 HydrophobicContact CD1-CD2 3.81Å; F26-L48 HydrophobicContact CD2-CB 3.95Å; F26-L48 HydrophobicContact CE2-CB 4.19Å; F26-L48 HydrophobicContact CE2-CD2 4.49Å; F26-L48 PolarHBondContact O-N 3.22Å; F27-L48 CarbonylContact C-O 3.44Å; F27-L48 VanDerWaalsContact CA-O 3.29Å; F27-L48 WeakPolarHBondContact CA-O 3.3Å; F27-L48 HydrophobicContact CD2-CB 4.5Å; F27-L48 HydrophobicContact CD2-CG 4.24Å; H28-L48 PolarHBondContact N-O 2.93Å; L48-L74 HydrophobicContact CD1-CD1 3.66Å; L48-I96 HydrophobicContact CD1-CG2 4.32Å; L48-I96 HydrophobicContact CD2-CG2 3.75Å; L48-I100 HydrophobicContact CD1-CD1 4.39Å; L48-I100 HydrophobicContact CD2-CD1 4.18Å |
| 49 | F | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 156.6 | 174.9 | 68.9 | -72.5 | 0 | 0 | 0 | 111.2 | H28 T31 V36 L47 N51 T59 A61 T71 | H28-F49 HydrophobicContact CB-CB 4.38Å; T31-F49 HydrophobicContact CG2-CB 3.61Å; T31-F49 HydrophobicContact CG2-CD2 3.79Å; T31-F49 HydrophobicContact CG2-CG 4.01Å; T31-F49 WeakPolarHBondContact O-CD2 3.3Å; V36-F49 HydrophobicContact CG1-CB 4.39Å; V36-F49 HydrophobicContact CG1-CG 4.29Å; V36-F49 HydrophobicContact CG2-CD1 4.28Å; V36-F49 HydrophobicContact CG2-CE1 4.17Å; V36-F49 HydrophobicContact CG2-CZ 4.41Å; L47-F49 HydrophobicContact CD1-CB 4.47Å; L47-F49 HydrophobicContact CD1-CD1 3.93Å; F49-N51 HydrophobicContact CD2-CB 4.2Å; F49-N51 HydrophobicContact CE2-CB 3.64Å; F49-N51 HydrophobicContact CZ-CB 4.24Å; F49-T59 WeakPolarHBondContact CD1-O 3.42Å; F49-T59 HydrophobicContact CE1-CG2 3.61Å; F49-T59 WeakPolarHBondContact CE1-O 3.17Å; F49-T59 HydrophobicContact CZ-CG2 3.66Å; F49-T59 PolarHBondContact N-O 3.5Å; F49-T59 PolarHBondContact O-N 3.39Å; F49-A61 HydrophobicContact CD1-CB 4.32Å; F49-A61 HydrophobicContact CE1-CB 3.88Å; F49-T71 HydrophobicContact CE1-CG2 4.17Å; F49-T71 HydrophobicContact CZ-CG2 3.89Å |
| 50 | A | 92.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | W21 F27 G29 Q30 T31 S52 C56 | W21-A50 HydrophobicContact CH2-CB 3.63Å; W21-A50 HydrophobicContact CZ3-CB 4.31Å; F27-A50 HydrophobicContact CE2-CB 4.25Å; F27-A50 HydrophobicContact CZ-CB 4.34Å; G29-A50 PolarHBondContact O-N 2.84Å; Q30-A50 WeakPolarHBondContact CA-O 3.13Å; Q30-A50 HydrophobicContact CB-CB 4.22Å; T31-A50 PolarHBondContact N-O 2.81Å; T31-A50 VanDerWaalsContact N-O 3.07Å; A50-S52 PolarHBondContact O-N 2.84Å; A50-S52 VanDerWaalsContact O-N 3.1Å; A50-C56 HydrophobicContact CB-CB 4.24Å |
| 51 | N | 92.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 105.8 | -169.8 | -175.9 | -3.1 | 0 | 0 | 0 | 111.3 | F49 T53 A54 C56 A57 T59 | F49-N51 HydrophobicContact CD2-CB 4.2Å; F49-N51 HydrophobicContact CE2-CB 3.64Å; F49-N51 HydrophobicContact CZ-CB 4.24Å; N51-T53 PolarHBondContact O-N 3.18Å; N51-T53 VanDerWaalsContact O-N 3.16Å; N51-T53 PolarHBondContact OD1-N 3.16Å; N51-T53 VanDerWaalsContact OD1-N 3.1Å; N51-T53 PolarHBondContact OD1-OG1 2.96Å; N51-A54 HydrophobicContact CB-CB 4.11Å; N51-A54 CarbonylContact O-C 3.58Å; N51-A54 PolarHBondContact O-N 2.92Å; N51-C56 VanDerWaalsContact O-CA 3.25Å; N51-C56 WeakPolarHBondContact O-CA 3.35Å; N51-C56 PolarHBondContact O-N 2.73Å; N51-A57 PolarHBondContact N-O 2.92Å; N51-T59 WeakPolarHBondContact CB-OG1 3.3Å |
| 52 | S | 90.2 | Very high | 93.1 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 35% | 0.35 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22 | -177.1 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | T31 T32 A50 A54 | T31-S52 PolarHBondContact O-N 2.95Å; T31-S52 VanDerWaalsContact O-N 3.09Å; T31-S52 PolarHBondContact O-OG 2.75Å; T32-S52 VanDerWaalsContact CG2-OG 3.3Å; T32-S52 WeakPolarHBondContact CG2-OG 3.48Å; A50-S52 PolarHBondContact O-N 2.84Å; A50-S52 VanDerWaalsContact O-N 3.1Å; S52-A54 VanDerWaalsContact C-N 3.32Å |
| 53 | T | 90.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 28.3 Ų | 28.3 | 68% | 0.681 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1 | 175.4 | 71 | 0 | 0 | 0 | 0 | 113.2 | T32 N51 | T32-T53 HydrophobicContact CG2-CG2 4.19Å; N51-T53 PolarHBondContact O-N 3.18Å; N51-T53 VanDerWaalsContact O-N 3.16Å; N51-T53 PolarHBondContact OD1-N 3.16Å; N51-T53 VanDerWaalsContact OD1-N 3.1Å; N51-T53 PolarHBondContact OD1-OG1 2.96Å |
| 54 | A | 88 | Confident | 93 | Very high | 43 Ų | 43 | 23.7 Ų | 23.7 | 36% | 0.355 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 50.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N51 S52 C56 A57 | N51-A54 HydrophobicContact CB-CB 4.11Å; N51-A54 CarbonylContact O-C 3.58Å; N51-A54 PolarHBondContact O-N 2.92Å; S52-A54 VanDerWaalsContact C-N 3.32Å; A54-C56 PolarHBondContact O-N 2.8Å; A54-C56 VanDerWaalsContact O-N 3.14Å; A54-A57 VanDerWaalsContact O-CB 3.24Å; A54-A57 WeakPolarHBondContact O-CB 3.41Å; A54-A57 PolarHBondContact O-N 2.86Å |
| 55 | L | 86.5 | Confident | 92.5 | Very high | 163 Ų | 163 | 24.5 Ų | 24.5 | 85% | 0.853 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.9 | 177.7 | -59 | 173.6 | 0 | 0 | 0 | 113.4 | A57 | L55-A57 PolarHBondContact O-N 3.27Å; L55-A57 VanDerWaalsContact O-N 3.17Å |
| 56 | C | 87 | Confident | 91.6 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 20.1 | -178.3 | -57.5 | 0 | 0 | 0 | 0 | 114.7 | Q30 A50 N51 A54 T449 | Q30-C56 PolarHBondContact NE2-SG 2.66Å; A50-C56 HydrophobicContact CB-CB 4.24Å; N51-C56 VanDerWaalsContact O-CA 3.25Å; N51-C56 WeakPolarHBondContact O-CA 3.35Å; N51-C56 PolarHBondContact O-N 2.73Å; A54-C56 PolarHBondContact O-N 2.8Å; A54-C56 VanDerWaalsContact O-N 3.14Å; C56-T449 HydrophobicContact CB-CG2 4.41Å |
| 57 | A | 90.4 | Very high | 90.5 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 28% | 0.281 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 135.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N51 A54 L55 T59 | N51-A57 PolarHBondContact N-O 2.92Å; A54-A57 VanDerWaalsContact O-CB 3.24Å; A54-A57 WeakPolarHBondContact O-CB 3.41Å; A54-A57 PolarHBondContact O-N 2.86Å; L55-A57 PolarHBondContact O-N 3.27Å; L55-A57 VanDerWaalsContact O-N 3.17Å; A57-T59 PolarHBondContact O-N 3.25Å; A57-T59 VanDerWaalsContact O-N 3.17Å; A57-T59 PolarHBondContact O-OG1 3.1Å |
| 58 | P | 93.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 120.5 | 177.5 | 24.3 | -32.9 | 0 | 0 | 0 | 109.9 | W21 L74 I96 S451 | W21-P58 HydrophobicContact CD2-CB 4.31Å; W21-P58 HydrophobicContact CE3-CB 4.1Å; W21-P58 HydrophobicContact CH2-CB 3.71Å; W21-P58 HydrophobicContact CZ2-CB 4.03Å; W21-P58 HydrophobicContact CZ3-CB 3.75Å; P58-L74 HydrophobicContact CB-CB 4.38Å; P58-L74 HydrophobicContact CB-CD1 4.45Å; P58-L74 HydrophobicContact CG-CB 4.28Å; P58-L74 WeakPolarHBondContact O-CB 3.47Å; P58-L74 PolarHBondContact O-N 3.23Å; P58-I96 HydrophobicContact CB-CD1 3.53Å; P58-I96 HydrophobicContact CG-CD1 3.74Å; P58-S451 WeakPolarHBondContact CG-OG 3.37Å |
| 59 | T | 95.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.8 | -171 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | F49 N51 A57 T71 | F49-T59 WeakPolarHBondContact CD1-O 3.42Å; F49-T59 HydrophobicContact CE1-CG2 3.61Å; F49-T59 WeakPolarHBondContact CE1-O 3.17Å; F49-T59 HydrophobicContact CZ-CG2 3.66Å; F49-T59 PolarHBondContact N-O 3.5Å; F49-T59 PolarHBondContact O-N 3.39Å; N51-T59 WeakPolarHBondContact CB-OG1 3.3Å; A57-T59 PolarHBondContact O-N 3.25Å; A57-T59 VanDerWaalsContact O-N 3.17Å; A57-T59 PolarHBondContact O-OG1 3.1Å; T59-T71 HydrophobicContact CG2-CG2 3.83Å |
| 60 | L | 96 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 120.2 | 174.4 | -171.4 | 74.9 | 0 | 0 | 0 | 109.4 | F46 V62 T71 I72 L74 I100 L120 | F46-L60 HydrophobicContact CB-CD1 4.39Å; F46-L60 HydrophobicContact CD2-CD1 3.89Å; L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 3.69Å; L60-T71 CarbonylContact O-C 3.6Å; L60-T71 WeakPolarHBondContact O-CA 3.43Å; L60-I72 HydrophobicContact CB-CB 4.35Å; L60-I72 PolarHBondContact N-O 3.19Å; L60-I72 PolarHBondContact O-N 3.06Å; L60-L74 HydrophobicContact CB-CD2 4.39Å; L60-I100 HydrophobicContact CD1-CD1 4.1Å; L60-L120 HydrophobicContact CD2-CD1 3.79Å; L60-L120 HydrophobicContact CD2-CD2 3.82Å; L60-L120 HydrophobicContact CD2-CG 4.46Å |
| 61 | A | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V36 L40 F46 L47 F49 V69 T70 | V36-A61 HydrophobicContact CG2-CB 4.11Å; L40-A61 HydrophobicContact CD1-CB 3.89Å; F46-A61 CarbonylContact C-O 3.14Å; F46-A61 WeakPolarHBondContact CA-O 3.46Å; L47-A61 HydrophobicContact CD1-CB 3.94Å; L47-A61 HydrophobicContact CG-CB 4.18Å; L47-A61 PolarHBondContact N-O 3.3Å; L47-A61 PolarHBondContact O-N 3.04Å; F49-A61 HydrophobicContact CD1-CB 4.32Å; F49-A61 HydrophobicContact CE1-CB 3.88Å; A61-V69 HydrophobicContact CB-CG1 4.49Å; A61-T70 CarbonylContact C-O 3.48Å; A61-T70 WeakPolarHBondContact CA-O 3.25Å |
| 62 | V | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.8 | -177 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | F46 L60 V69 T70 I72 T118 L120 | F46-V62 HydrophobicContact CB-CG1 4.5Å; F46-V62 HydrophobicContact CB-CG2 4.2Å; L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 3.69Å; V62-V69 WeakPolarHBondContact O-CA 3.41Å; V62-T70 PolarHBondContact N-O 3.37Å; V62-T70 PolarHBondContact O-N 3.5Å; V62-I72 HydrophobicContact CG2-CD1 3.99Å; V62-T118 HydrophobicContact CG1-CG2 3.53Å; V62-L120 HydrophobicContact CB-CD2 4.41Å; V62-L120 HydrophobicContact CG1-CD2 3.82Å; V62-L120 HydrophobicContact CG2-CD2 3.61Å |
| 63 | R | 94.5 | Very high | 89.7 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114.9 | 171.9 | -173 | 162 | 177.5 | 123.2 | -6.7 | 110.3 | L40 K41 N42 G44 D45 V69 | L40-R63 HydrophobicContact CB-CB 4.09Å; L40-R63 WeakPolarHBondContact O-CD 3.48Å; L40-R63 PolarHBondContact O-NH1 3.02Å; K41-R63 VanDerWaalsContact C-NE 3.34Å; K41-R63 PolarHBondContact O-NE 2.92Å; K41-R63 PolarHBondContact O-NH2 2.7Å; N42-R63 WeakPolarHBondContact O-CB 3.38Å; N42-R63 WeakPolarHBondContact O-CD 3.37Å; N42-R63 WeakPolarHBondContact O-CG 3.38Å; G44-R63 PolarHBondContact N-O 2.86Å; D45-R63 HydrophobicContact CB-CB 4.38Å; D45-R63 PolarHBondContact O-N 3.23Å; R63-V69 HydrophobicContact CB-CG2 4.19Å; R63-V69 HydrophobicContact CG-CG2 4.25Å |
| 64 | G | 90 | Very high | 89.8 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -86.3 | -163.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y68 | G64-Y68 PolarHBondContact N-O 3.03Š| ||
| 65 | G | 82.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -63.8 | 164.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F67 Y68 | G65-F67 PolarHBondContact O-N 2.79Å; G65-Y68 PolarHBondContact O-N 3.2Å |
| 66 | C | 76.6 | Confident | 90.5 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | 57 | 26.5 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 115.3 | Y68 | C66-Y68 HydrophobicContact CB-CD2 4.2Å; C66-Y68 PolarHBondContact O-N 3.47Å |
| 67 | F | 73.1 | Confident | 90.7 | Very high | 162 Ų | 162 | 41.3 Ų | 41.3 | 71% | 0.711 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | 64.8 | 15.3 | 179.3 | -47.6 | -62.5 | 0 | 0 | 0 | 115.6 | G65 | G65-F67 PolarHBondContact O-N 2.79Š|
| 68 | Y | 85.1 | Confident | 90.5 | Very high | 153 Ų | 153 | 46.5 Ų | 46.5 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | trans | -79.2 | 129.3 | 174.7 | -85.6 | -86.6 | 0 | 0 | 0 | 111.5 | G64 G65 C66 | G64-Y68 PolarHBondContact N-O 3.03Å; G65-Y68 PolarHBondContact O-N 3.2Å; C66-Y68 HydrophobicContact CB-CD2 4.2Å; C66-Y68 PolarHBondContact O-N 3.47Å | ||
| 69 | V | 91.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.8 | 168 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | L33 T37 L40 A61 V62 R63 | L33-V69 HydrophobicContact CD1-CG1 3.96Å; T37-V69 HydrophobicContact CG2-CB 4.23Å; T37-V69 HydrophobicContact CG2-CG2 3.97Å; L40-V69 HydrophobicContact CB-CG2 4.22Å; L40-V69 HydrophobicContact CD1-CB 4.33Å; L40-V69 HydrophobicContact CD1-CG1 3.47Å; L40-V69 VanDerWaalsContact CD1-CG1 3.47Å; L40-V69 HydrophobicContact CD1-CG2 3.86Å; A61-V69 HydrophobicContact CB-CG1 4.49Å; V62-V69 WeakPolarHBondContact O-CA 3.41Å; R63-V69 HydrophobicContact CB-CG2 4.19Å; R63-V69 HydrophobicContact CG-CG2 4.25Å |
| 70 | T | 89.3 | Confident | 89.9 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 158.8 | 171.2 | -163.3 | 0 | 0 | 0 | 0 | 110.8 | A61 V62 I72 M112 P113 | A61-T70 CarbonylContact C-O 3.48Å; A61-T70 WeakPolarHBondContact CA-O 3.25Å; V62-T70 PolarHBondContact N-O 3.37Å; V62-T70 PolarHBondContact O-N 3.5Å; T70-I72 HydrophobicContact CG2-CD1 4.42Å; T70-I72 HydrophobicContact CG2-CG1 4.18Å; T70-M112 HydrophobicContact CG2-CE 3.25Å; T70-M112 HydrophobicContact CG2-SD 3.45Å; T70-M112 WeakPolarHBondContact CG2-SD 3.38Å; T70-P113 WeakPolarHBondContact OG1-CD 3.45Å; T70-P113 WeakPolarHBondContact OG1-CG 3.49Å |
| 71 | T | 93.4 | Very high | 89.8 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144.9 | 166 | 50 | 0 | 0 | 0 | 0 | 110.7 | L33 F49 T59 L60 | L33-T71 HydrophobicContact CB-CG2 4.23Å; L33-T71 HydrophobicContact CD1-CG2 3.43Å; L33-T71 VanDerWaalsContact CD1-CG2 3.43Å; L33-T71 HydrophobicContact CD2-CG2 3.76Å; L33-T71 HydrophobicContact CG-CG2 3.98Å; F49-T71 HydrophobicContact CE1-CG2 4.17Å; F49-T71 HydrophobicContact CZ-CG2 3.89Å; T59-T71 HydrophobicContact CG2-CG2 3.83Å; L60-T71 CarbonylContact O-C 3.6Å; L60-T71 WeakPolarHBondContact O-CA 3.43Å |
| 72 | I | 93.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 108.8 | 174.6 | -60.2 | 165.5 | 0 | 0 | 0 | 106 | L60 V62 T70 L74 I84 V110 | L60-I72 HydrophobicContact CB-CB 4.35Å; L60-I72 PolarHBondContact N-O 3.19Å; L60-I72 PolarHBondContact O-N 3.06Å; V62-I72 HydrophobicContact CG2-CD1 3.99Å; T70-I72 HydrophobicContact CG2-CD1 4.42Å; T70-I72 HydrophobicContact CG2-CG1 4.18Å; I72-L74 PolarHBondContact O-N 3.5Å; I72-I84 HydrophobicContact CG2-CB 4.38Å; I72-I84 HydrophobicContact CG2-CD1 4.32Å; I72-I84 HydrophobicContact CG2-CG1 4.08Å; I72-I84 HydrophobicContact CG2-CG2 3.56Å; I72-V110 HydrophobicContact CD1-CB 3.94Å; I72-V110 HydrophobicContact CD1-CG1 3.5Å; I72-V110 VanDerWaalsContact CD1-CG1 3.5Å |
| 73 | P | 92.9 | Very high | 89.7 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 134.9 | 174.6 | 28.4 | -32.5 | 0 | 0 | 0 | 109.1 | ||
| 74 | L | 94.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | trans | -89.8 | 125.9 | 172.6 | -56.2 | -179.4 | 0 | 0 | 0 | 107.9 | L48 P58 L60 I72 I84 I96 L99 | L48-L74 HydrophobicContact CD1-CD1 3.66Å; P58-L74 HydrophobicContact CB-CB 4.38Å; P58-L74 HydrophobicContact CB-CD1 4.45Å; P58-L74 HydrophobicContact CG-CB 4.28Å; P58-L74 WeakPolarHBondContact O-CB 3.47Å; P58-L74 PolarHBondContact O-N 3.23Å; L60-L74 HydrophobicContact CB-CD2 4.39Å; I72-L74 PolarHBondContact O-N 3.5Å; L74-I84 HydrophobicContact CD2-CD1 4Å; L74-I84 HydrophobicContact CD2-CG1 3.58Å; L74-I96 HydrophobicContact CD1-CB 4.28Å; L74-I96 HydrophobicContact CD1-CD1 4.27Å; L74-I96 HydrophobicContact CD1-CG1 4.02Å; L74-I96 HydrophobicContact CD1-CG2 3.38Å; L74-L99 HydrophobicContact CD2-CD2 4.28Å | ||
| 75 | Q | 94 | Very high | 89.8 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 156 | -174.4 | -65 | -178.9 | -34.2 | 0 | 0 | 110.4 | F82 Y83 | Q75-F82 CarbonylContact O-C 3.56Å; Q75-F82 VanDerWaalsContact O-CA 3.28Å; Q75-F82 WeakPolarHBondContact O-CA 3.42Å; Q75-Y83 HydrophobicContact CB-CD1 4.09Å; Q75-Y83 HydrophobicContact CB-CD2 4.23Å; Q75-Y83 HydrophobicContact CB-CE1 3.6Å; Q75-Y83 HydrophobicContact CB-CE2 3.77Å; Q75-Y83 HydrophobicContact CB-CG 4.39Å; Q75-Y83 VanDerWaalsContact CB-CZ 3.43Å; Q75-Y83 HydrophobicContact CG-CE2 4.47Å; Q75-Y83 PolarHBondContact N-O 3.3Å; Q75-Y83 PolarHBondContact O-N 2.97Å; Q75-Y83 PolarHBondContact OE1-OH 2.86Å |
| 76 | Q | 93.5 | Very high | 90.2 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | 175.2 | -173.7 | 160.5 | 39.6 | 0 | 0 | 108.4 | D80 Y81 F82 A452 | Q76-D80 HydrophobicContact CG-CB 4.43Å; Q76-D80 PolarHBondContact NE2-O 3.32Å; Q76-Y81 WeakPolarHBondContact CA-O 3.28Å; Q76-F82 HydrophobicContact CB-CD1 4.35Å; Q76-F82 HydrophobicContact CB-CE1 4.2Å; Q76-F82 HydrophobicContact CG-CE1 4.44Å; Q76-A452 PolarHBondContact NE2-O 3.46Å |
| 77 | G | 91.3 | Very high | 90.9 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | trans | -118 | -158 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G79 D80 Y81 | G77-G79 PolarHBondContact O-N 3.34Å; G77-D80 WeakPolarHBondContact O-CA 3.44Å; G77-D80 PolarHBondContact O-N 2.79Å; G77-Y81 PolarHBondContact N-O 2.99Å | ||
| 78 | D | 86.6 | Confident | 91.9 | Very high | 144 Ų | 144 | 54.7 Ų | 54.7 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -53.8 | 135 | 179.3 | -73.5 | -11.2 | 0 | 0 | 0 | 111.6 | D80 Y81 | D78-D80 PolarHBondContact O-N 3.12Å; D78-Y81 WeakPolarHBondContact O-CD2 3.46Å |
| 79 | G | 86.1 | Confident | 92.3 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | 72.3 | 13.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G77 Y81 K440 W454 | G77-G79 PolarHBondContact O-N 3.34Å; G79-Y81 VanDerWaalsContact C-N 3.26Å; G79-Y81 PolarHBondContact O-N 3.15Å; G79-K440 PolarHBondContact O-NZ 2.96Å; G79-W454 WeakPolarHBondContact O-CZ2 3.48Å |
| 80 | D | 90.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | 66.4 | 24.1 | -178.9 | -49.1 | -57.2 | 0 | 0 | 0 | 113.3 | Q76 G77 D78 K440 | Q76-D80 HydrophobicContact CG-CB 4.43Å; Q76-D80 PolarHBondContact NE2-O 3.32Å; G77-D80 WeakPolarHBondContact O-CA 3.44Å; G77-D80 PolarHBondContact O-N 2.79Å; D78-D80 PolarHBondContact O-N 3.12Å; D80-K440 IonicContact OD2-NZ 2.69Å; D80-K440 PolarHBondContact OD2-NZ 2.81Å |
| 81 | Y | 94 | Very high | 92.4 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | trans | -81.9 | 141.3 | 178 | -58.4 | -59.1 | 0 | 0 | 0 | 112 | Q76 G77 D78 G79 K92 C93 T94 W454 | Q76-Y81 WeakPolarHBondContact CA-O 3.28Å; G77-Y81 PolarHBondContact N-O 2.99Å; D78-Y81 WeakPolarHBondContact O-CD2 3.46Å; G79-Y81 VanDerWaalsContact C-N 3.26Å; G79-Y81 PolarHBondContact O-N 3.15Å; Y81-K92 VanDerWaalsContact CD1-CA 3.46Å; Y81-K92 HydrophobicContact CD1-CB 3.88Å; Y81-K92 WeakPolarHBondContact CD1-O 3.36Å; Y81-K92 HydrophobicContact CD2-CG 4.4Å; Y81-K92 HydrophobicContact CE1-CB 3.59Å; Y81-K92 HydrophobicContact CE1-CG 4.14Å; Y81-K92 HydrophobicContact CE2-CB 4.36Å; Y81-K92 HydrophobicContact CE2-CD 4.49Å; Y81-K92 HydrophobicContact CE2-CG 4.04Å; Y81-K92 HydrophobicContact CG-CB 4.36Å; Y81-C93 CarbonylContact C-O 3.57Å; Y81-C93 WeakPolarHBondContact CA-O 3.49Å; Y81-T94 HydrophobicContact CD1-CG2 3.91Å; Y81-T94 HydrophobicContact CE1-CG2 3.74Å; Y81-W454 HydrophobicContact CD1-CZ2 4.08Å; Y81-W454 AromaticContact CE1-CH2 3.86Å; Y81-W454 HydrophobicContact CE1-CH2 3.86Å; Y81-W454 AromaticContact CE1-CZ2 3.43Å; Y81-W454 HydrophobicContact CE1-CZ2 3.43Å; Y81-W454 VanDerWaalsContact CE1-CZ2 3.43Å; Y81-W454 AromaticContact CZ-CZ2 3.96Å | ||
| 82 | F | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 139.7 | 178.7 | -67.8 | -83.2 | 0 | 0 | 0 | 112.1 | Q75 Q76 C93 T94 I96 L99 A452 E453 | Q75-F82 CarbonylContact O-C 3.56Å; Q75-F82 VanDerWaalsContact O-CA 3.28Å; Q75-F82 WeakPolarHBondContact O-CA 3.42Å; Q76-F82 HydrophobicContact CB-CD1 4.35Å; Q76-F82 HydrophobicContact CB-CE1 4.2Å; Q76-F82 HydrophobicContact CG-CE1 4.44Å; F82-C93 PolarHBondContact N-O 3.36Å; F82-T94 WeakPolarHBondContact CE2-O 3.19Å; F82-I96 HydrophobicContact CD1-CD1 4.17Å; F82-I96 HydrophobicContact CD1-CG1 3.55Å; F82-I96 HydrophobicContact CD2-CG1 4.41Å; F82-I96 HydrophobicContact CE1-CD1 3.89Å; F82-I96 HydrophobicContact CE1-CG1 3.72Å; F82-I96 HydrophobicContact CG-CG1 3.92Å; F82-I96 HydrophobicContact CZ-CD1 4.44Å; F82-I96 HydrophobicContact CZ-CG1 4.22Å; F82-L99 HydrophobicContact CB-CB 4.47Å; F82-L99 HydrophobicContact CB-CD2 3.93Å; F82-A452 WeakPolarHBondContact CZ-O 3.08Å; F82-E453 HydrophobicContact CE2-CG 3.73Å; F82-E453 HydrophobicContact CZ-CG 3.8Å |
| 83 | Y | 95.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 11% | 0.106 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.3 | 179.7 | 68.4 | -83.9 | 0 | 0 | 0 | 113.2 | Q75 L89 | Q75-Y83 HydrophobicContact CB-CD1 4.09Å; Q75-Y83 HydrophobicContact CB-CD2 4.23Å; Q75-Y83 HydrophobicContact CB-CE1 3.6Å; Q75-Y83 HydrophobicContact CB-CE2 3.77Å; Q75-Y83 HydrophobicContact CB-CG 4.39Å; Q75-Y83 VanDerWaalsContact CB-CZ 3.43Å; Q75-Y83 HydrophobicContact CG-CE2 4.47Å; Q75-Y83 PolarHBondContact N-O 3.3Å; Q75-Y83 PolarHBondContact O-N 2.97Å; Q75-Y83 PolarHBondContact OE1-OH 2.86Å; Y83-L89 HydrophobicContact CD1-CD2 3.56Å; Y83-L89 HydrophobicContact CD1-CG 4.17Å; Y83-L89 HydrophobicContact CE1-CD2 4.2Å; Y83-L89 HydrophobicContact CG-CD2 4.08Å; Y83-L89 HydrophobicContact CG-CG 4.26Å |
| 84 | I | 94.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -102.4 | -35.3 | 165.8 | -69.5 | 172.5 | 0 | 0 | 0 | 110.1 | I72 L74 D88 L99 Y103 V110 | I72-I84 HydrophobicContact CG2-CB 4.38Å; I72-I84 HydrophobicContact CG2-CD1 4.32Å; I72-I84 HydrophobicContact CG2-CG1 4.08Å; I72-I84 HydrophobicContact CG2-CG2 3.56Å; L74-I84 HydrophobicContact CD2-CD1 4Å; L74-I84 HydrophobicContact CD2-CG1 3.58Å; I84-D88 WeakPolarHBondContact CB-OD2 3.46Å; I84-D88 PolarHBondContact N-OD2 2.97Å; I84-L99 HydrophobicContact CG1-CD2 4.25Å; I84-Y103 HydrophobicContact CD1-CD1 4.48Å; I84-Y103 HydrophobicContact CD1-CD2 4.32Å; I84-Y103 HydrophobicContact CD1-CE1 4.11Å; I84-Y103 HydrophobicContact CD1-CE2 3.94Å; I84-V110 HydrophobicContact CD1-CG1 4.2Å; I84-V110 HydrophobicContact CG2-CG1 3.97Å |
| 85 | K | 92.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -135 | 153 | 173.3 | 56.9 | -178.7 | 173.1 | -173.7 | 0 | 109.1 | A87 D88 Y103 | K85-A87 HydrophobicContact CD-CB 4.46Å; K85-A87 HydrophobicContact CG-CB 4.44Å; K85-A87 PolarHBondContact O-N 3.34Å; K85-D88 WeakPolarHBondContact CE-OD1 3.46Å; K85-D88 VanDerWaalsContact CG-CG 3.5Å; K85-D88 VanDerWaalsContact CG-OD1 3.29Å; K85-D88 WeakPolarHBondContact CG-OD1 3.46Å; K85-D88 WeakPolarHBondContact CG-OD2 3.39Å; K85-D88 PolarHBondContact N-OD2 3.42Å; K85-D88 VanDerWaalsContact O-CB 3.3Å; K85-D88 WeakPolarHBondContact O-CB 3.43Å; K85-D88 PolarHBondContact O-N 3.06Å; K85-Y103 WeakPolarHBondContact CE-OH 3.44Å |
| 86 | E | 91.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 49.1 Ų | 49.1 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -48 | -37.8 | -179.1 | -67.9 | -63.2 | 154.4 | 0 | 0 | 114.2 | D88 L89 | E86-D88 PolarHBondContact O-N 3.34Å; E86-D88 VanDerWaalsContact O-N 3.13Å; E86-L89 WeakPolarHBondContact O-CB 3.29Å; E86-L89 WeakPolarHBondContact O-CG 3.4Å; E86-L89 PolarHBondContact O-N 3.14Å; E86-L89 VanDerWaalsContact O-N 3.08Å; E86-L89 WeakPolarHBondContact OE2-CD1 3.36Å |
| 87 | A | 91.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 46 Ų | 46 | 60% | 0.603 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -61.5 | -21.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K85 L89 | K85-A87 HydrophobicContact CD-CB 4.46Å; K85-A87 HydrophobicContact CG-CB 4.44Å; K85-A87 PolarHBondContact O-N 3.34Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 2.5Å |
| 88 | D | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -74 | -19 | 178.1 | -52.2 | -26.1 | 0 | 0 | 0 | 111.9 | I84 K85 E86 A90 M91 L99 Y103 | I84-D88 WeakPolarHBondContact CB-OD2 3.46Å; I84-D88 PolarHBondContact N-OD2 2.97Å; K85-D88 WeakPolarHBondContact CE-OD1 3.46Å; K85-D88 VanDerWaalsContact CG-CG 3.5Å; K85-D88 VanDerWaalsContact CG-OD1 3.29Å; K85-D88 WeakPolarHBondContact CG-OD1 3.46Å; K85-D88 WeakPolarHBondContact CG-OD2 3.39Å; K85-D88 PolarHBondContact N-OD2 3.42Å; K85-D88 VanDerWaalsContact O-CB 3.3Å; K85-D88 WeakPolarHBondContact O-CB 3.43Å; K85-D88 PolarHBondContact O-N 3.06Å; E86-D88 PolarHBondContact O-N 3.34Å; E86-D88 VanDerWaalsContact O-N 3.13Å; D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact O-N 3.16Å; D88-M91 HydrophobicContact CB-SD 3.95Å; D88-M91 WeakPolarHBondContact O-CA 3.45Å; D88-M91 WeakPolarHBondContact O-CB 3.21Å; D88-M91 WeakPolarHBondContact O-CG 3.48Å; D88-M91 PolarHBondContact O-N 2.96Å; D88-L99 HydrophobicContact CB-CD1 4.32Å; D88-Y103 VanDerWaalsContact CG-OH 3.22Å; D88-Y103 PolarHBondContact OD1-OH 3.35Å; D88-Y103 VanDerWaalsContact OD1-OH 3.07Å; D88-Y103 PolarHBondContact OD2-OH 3.17Å |
| 89 | L | 92.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.8 | -29.4 | 176.5 | -70.2 | 173.2 | 0 | 0 | 0 | 112.2 | Y83 E86 A87 M91 K92 | Y83-L89 HydrophobicContact CD1-CD2 3.56Å; Y83-L89 HydrophobicContact CD1-CG 4.17Å; Y83-L89 HydrophobicContact CE1-CD2 4.2Å; Y83-L89 HydrophobicContact CG-CD2 4.08Å; Y83-L89 HydrophobicContact CG-CG 4.26Å; E86-L89 WeakPolarHBondContact O-CB 3.29Å; E86-L89 WeakPolarHBondContact O-CG 3.4Å; E86-L89 PolarHBondContact O-N 3.14Å; E86-L89 VanDerWaalsContact O-N 3.08Å; E86-L89 WeakPolarHBondContact OE2-CD1 3.36Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 2.5Å; L89-M91 PolarHBondContact O-N 2.89Å; L89-K92 PolarHBondContact O-N 3.14Å; L89-K92 VanDerWaalsContact O-N 3.1Å |
| 90 | A | 91.6 | Very high | 93 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -61.8 | -21.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D88 | D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact O-N 3.16Å |
| 91 | M | 90.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 16% | 0.163 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -81.7 | -15.1 | 178.4 | -57.2 | 163 | 32.3 | 0 | 0 | 113.1 | M10 D88 L89 C93 L99 F102 | M10-M91 HydrophobicContact CE-CB 4.22Å; M10-M91 HydrophobicContact CE-CG 3.84Å; D88-M91 HydrophobicContact CB-SD 3.95Å; D88-M91 WeakPolarHBondContact O-CA 3.45Å; D88-M91 WeakPolarHBondContact O-CB 3.21Å; D88-M91 WeakPolarHBondContact O-CG 3.48Å; D88-M91 PolarHBondContact O-N 2.96Å; L89-M91 PolarHBondContact O-N 2.89Å; M91-C93 VanDerWaalsContact C-N 3.27Å; M91-C93 VanDerWaalsContact CE-SG 3.58Å; M91-C93 PolarHBondContact O-N 2.99Å; M91-L99 HydrophobicContact CE-CD1 4Å; M91-F102 HydrophobicContact CE-CB 3.62Å; M91-F102 HydrophobicContact CE-CD1 2.92Å; M91-F102 HydrophobicContact CE-CD2 4.05Å; M91-F102 HydrophobicContact CE-CE1 3.38Å; M91-F102 HydrophobicContact CE-CE2 4.43Å; M91-F102 HydrophobicContact CE-CG 3.27Å; M91-F102 HydrophobicContact CE-CZ 4.13Å; M91-F102 HydrophobicContact CG-CD1 4.43Å; M91-F102 HydrophobicContact CG-CE1 3.89Å; M91-F102 HydrophobicContact CG-CZ 4.06Å; M91-F102 HydrophobicContact SD-CD1 3.48Å; M91-F102 WeakPolarHBondContact SD-CD1 3.28Å; M91-F102 HydrophobicContact SD-CE1 3.27Å; M91-F102 WeakPolarHBondContact SD-CE1 3.39Å; M91-F102 HydrophobicContact SD-CG 4.33Å; M91-F102 HydrophobicContact SD-CZ 4.05Å |
| 92 | K | 91.8 | Very high | 93 | Very high | 133 Ų | 133 | 36.8 Ų | 36.8 | 58% | 0.578 | 20% | 0.202 | S | C | * | . | trans | 52.4 | 41 | 177.5 | -61.3 | -174.8 | 176.7 | -175 | 0 | 113.8 | Y81 L89 T94 | Y81-K92 VanDerWaalsContact CD1-CA 3.46Å; Y81-K92 HydrophobicContact CD1-CB 3.88Å; Y81-K92 WeakPolarHBondContact CD1-O 3.36Å; Y81-K92 HydrophobicContact CD2-CG 4.4Å; Y81-K92 HydrophobicContact CE1-CB 3.59Å; Y81-K92 HydrophobicContact CE1-CG 4.14Å; Y81-K92 HydrophobicContact CE2-CB 4.36Å; Y81-K92 HydrophobicContact CE2-CD 4.49Å; Y81-K92 HydrophobicContact CE2-CG 4.04Å; Y81-K92 HydrophobicContact CG-CB 4.36Å; L89-K92 PolarHBondContact O-N 3.14Å; L89-K92 VanDerWaalsContact O-N 3.1Å; K92-T94 PolarHBondContact O-N 2.82Å | ||
| 93 | C | 92.9 | Very high | 93 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | trans | -69.8 | 115.4 | 177.4 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | Y81 F82 M91 A98 L99 | Y81-C93 CarbonylContact C-O 3.57Å; Y81-C93 WeakPolarHBondContact CA-O 3.49Å; F82-C93 PolarHBondContact N-O 3.36Å; M91-C93 VanDerWaalsContact C-N 3.27Å; M91-C93 VanDerWaalsContact CE-SG 3.58Å; M91-C93 PolarHBondContact O-N 2.99Å; C93-A98 HydrophobicContact CB-CB 4.34Å; C93-L99 HydrophobicContact CB-CB 3.95Å | ||
| 94 | T | 92.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | trans | -91.1 | -7.1 | -177.8 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | Y81 F82 K92 W454 | Y81-T94 HydrophobicContact CD1-CG2 3.91Å; Y81-T94 HydrophobicContact CE1-CG2 3.74Å; F82-T94 WeakPolarHBondContact CE2-O 3.19Å; K92-T94 PolarHBondContact O-N 2.82Å; T94-W454 WeakPolarHBondContact CB-O 3.46Å; T94-W454 HydrophobicContact CG2-CD2 3.82Å; T94-W454 VanDerWaalsContact CG2-CE2 3.47Å; T94-W454 HydrophobicContact CG2-CE3 3.97Å; T94-W454 HydrophobicContact CG2-CH2 3.52Å; T94-W454 HydrophobicContact CG2-CZ2 3.35Å; T94-W454 HydrophobicContact CG2-CZ3 3.82Å; T94-W454 PolarHBondContact O-N 2.93Å; T94-W454 PolarHBondContact OG1-O 3.22Å | ||
| 95 | T | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -132.2 | 150.6 | 173.9 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | Q18 G97 A98 L99 L443 E453 | Q18-T95 PolarHBondContact OE1-OG1 3.36Å; T95-G97 PolarHBondContact O-N 3Å; T95-A98 PolarHBondContact O-N 2.84Å; T95-A98 WeakPolarHBondContact OG1-CB 3.18Å; T95-A98 PolarHBondContact OG1-N 2.93Å; T95-L99 PolarHBondContact O-N 2.82Å; T95-L99 VanDerWaalsContact O-N 3.16Å; T95-L443 HydrophobicContact CG2-CD1 4.21Å; T95-E453 WeakPolarHBondContact CA-OE1 3.46Å; T95-E453 WeakPolarHBondContact CB-OE1 3.24Å; T95-E453 HydrophobicContact CG2-CB 4.18Å; T95-E453 HydrophobicContact CG2-CG 4.48Å |
| 96 | I | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 172.7 | -73.5 | 162.3 | 0 | 0 | 0 | 110 | W21 L48 P58 L74 F82 A98 L99 I100 E453 | W21-I96 HydrophobicContact CB-CB 3.78Å; W21-I96 HydrophobicContact CB-CD1 3.88Å; W21-I96 HydrophobicContact CB-CG1 4.41Å; W21-I96 HydrophobicContact CB-CG2 3.97Å; W21-I96 HydrophobicContact CD2-CD1 3.99Å; W21-I96 HydrophobicContact CG-CD1 3.68Å; L48-I96 HydrophobicContact CD1-CG2 4.32Å; L48-I96 HydrophobicContact CD2-CG2 3.75Å; P58-I96 HydrophobicContact CB-CD1 3.53Å; P58-I96 HydrophobicContact CG-CD1 3.74Å; L74-I96 HydrophobicContact CD1-CB 4.28Å; L74-I96 HydrophobicContact CD1-CD1 4.27Å; L74-I96 HydrophobicContact CD1-CG1 4.02Å; L74-I96 HydrophobicContact CD1-CG2 3.38Å; F82-I96 HydrophobicContact CD1-CD1 4.17Å; F82-I96 HydrophobicContact CD1-CG1 3.55Å; F82-I96 HydrophobicContact CD2-CG1 4.41Å; F82-I96 HydrophobicContact CE1-CD1 3.89Å; F82-I96 HydrophobicContact CE1-CG1 3.72Å; F82-I96 HydrophobicContact CG-CG1 3.92Å; F82-I96 HydrophobicContact CZ-CD1 4.44Å; F82-I96 HydrophobicContact CZ-CG1 4.22Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 2.79Å; I96-L99 PolarHBondContact O-N 2.83Å; I96-I100 HydrophobicContact CG2-CD1 3.7Å; I96-I100 HydrophobicContact CG2-CG1 4.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.45Å; I96-I100 PolarHBondContact O-N 2.83Å; I96-E453 PolarHBondContact N-OE1 2.84Å |
| 97 | G | 92.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T95 I100 N101 | T95-G97 PolarHBondContact O-N 3Å; G97-I100 PolarHBondContact O-N 2.76Å; G97-N101 VanDerWaalsContact O-CB 3.27Å; G97-N101 WeakPolarHBondContact O-CB 3.27Å; G97-N101 VanDerWaalsContact O-CG 3.25Å; G97-N101 PolarHBondContact O-N 2.99Å; G97-N101 PolarHBondContact O-ND2 3.46Å |
| 98 | A | 92.5 | Very high | 93 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C93 T95 I96 N101 F102 | C93-A98 HydrophobicContact CB-CB 4.34Å; T95-A98 PolarHBondContact O-N 2.84Å; T95-A98 WeakPolarHBondContact OG1-CB 3.18Å; T95-A98 PolarHBondContact OG1-N 2.93Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 2.79Å; A98-N101 PolarHBondContact O-N 3.44Å; A98-F102 WeakPolarHBondContact O-CB 3.36Å; A98-F102 PolarHBondContact O-N 3.18Å |
| 99 | L | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 177.3 | 177.9 | 63.4 | 0 | 0 | 0 | 111.7 | L74 F82 I84 D88 M91 C93 T95 I96 N101 F102 Y103 | L74-L99 HydrophobicContact CD2-CD2 4.28Å; F82-L99 HydrophobicContact CB-CB 4.47Å; F82-L99 HydrophobicContact CB-CD2 3.93Å; I84-L99 HydrophobicContact CG1-CD2 4.25Å; D88-L99 HydrophobicContact CB-CD1 4.32Å; M91-L99 HydrophobicContact CE-CD1 4Å; C93-L99 HydrophobicContact CB-CB 3.95Å; T95-L99 PolarHBondContact O-N 2.82Å; T95-L99 VanDerWaalsContact O-N 3.16Å; I96-L99 PolarHBondContact O-N 2.83Å; L99-N101 PolarHBondContact O-N 2.95Å; L99-F102 WeakPolarHBondContact O-CB 3.5Å; L99-F102 PolarHBondContact O-N 2.89Å; L99-Y103 HydrophobicContact CD1-CD2 4.04Å; L99-Y103 HydrophobicContact CD1-CE2 3.8Å; L99-Y103 HydrophobicContact CG-CD2 4.45Å; L99-Y103 HydrophobicContact CG-CE2 4.49Å; L99-Y103 WeakPolarHBondContact O-CD2 3.32Å; L99-Y103 PolarHBondContact O-N 2.7Å; L99-Y103 VanDerWaalsContact O-N 3.12Å |
| 100 | I | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 179.8 | -67.4 | 173.2 | 0 | 0 | 0 | 110.5 | F26 F46 L48 L60 I96 G97 F102 Y103 V104 L120 | F26-I100 HydrophobicContact CE2-CD1 3.83Å; F26-I100 HydrophobicContact CE2-CG2 4.32Å; F26-I100 HydrophobicContact CZ-CD1 4.34Å; F26-I100 HydrophobicContact CZ-CG2 4.06Å; F46-I100 HydrophobicContact CE2-CG2 3.87Å; F46-I100 HydrophobicContact CZ-CG2 4.34Å; L48-I100 HydrophobicContact CD1-CD1 4.39Å; L48-I100 HydrophobicContact CD2-CD1 4.18Å; L60-I100 HydrophobicContact CD1-CD1 4.1Å; I96-I100 HydrophobicContact CG2-CD1 3.7Å; I96-I100 HydrophobicContact CG2-CG1 4.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.45Å; I96-I100 PolarHBondContact O-N 2.83Å; G97-I100 PolarHBondContact O-N 2.76Å; I100-F102 PolarHBondContact O-N 3.29Å; I100-Y103 PolarHBondContact O-N 3.14Å; I100-Y103 VanDerWaalsContact O-N 3.12Å; I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CG2 3.31Å; I100-V104 PolarHBondContact O-N 3.13Å; I100-L120 HydrophobicContact CG2-CD1 4.39Å |
| 101 | N | 92.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.8 | -36.5 | 178.3 | -80.6 | -22.5 | 0 | 0 | 0 | 112.1 | G97 A98 L99 V104 S105 | G97-N101 VanDerWaalsContact O-CB 3.27Å; G97-N101 WeakPolarHBondContact O-CB 3.27Å; G97-N101 VanDerWaalsContact O-CG 3.25Å; G97-N101 PolarHBondContact O-N 2.99Å; G97-N101 PolarHBondContact O-ND2 3.46Å; A98-N101 PolarHBondContact O-N 3.44Å; L99-N101 PolarHBondContact O-N 2.95Å; N101-V104 PolarHBondContact O-N 3.17Å; N101-S105 WeakPolarHBondContact O-CB 3.34Å; N101-S105 PolarHBondContact O-N 2.83Å; N101-S105 PolarHBondContact O-OG 3.36Å |
| 102 | F | 92.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 175 | -167.2 | -93.5 | 0 | 0 | 0 | 111.6 | M91 A98 L99 I100 V104 S105 C106 I108 | M91-F102 HydrophobicContact CE-CB 3.62Å; M91-F102 HydrophobicContact CE-CD1 2.92Å; M91-F102 HydrophobicContact CE-CD2 4.05Å; M91-F102 HydrophobicContact CE-CE1 3.38Å; M91-F102 HydrophobicContact CE-CE2 4.43Å; M91-F102 HydrophobicContact CE-CG 3.27Å; M91-F102 HydrophobicContact CE-CZ 4.13Å; M91-F102 HydrophobicContact CG-CD1 4.43Å; M91-F102 HydrophobicContact CG-CE1 3.89Å; M91-F102 HydrophobicContact CG-CZ 4.06Å; M91-F102 HydrophobicContact SD-CD1 3.48Å; M91-F102 WeakPolarHBondContact SD-CD1 3.28Å; M91-F102 HydrophobicContact SD-CE1 3.27Å; M91-F102 WeakPolarHBondContact SD-CE1 3.39Å; M91-F102 HydrophobicContact SD-CG 4.33Å; M91-F102 HydrophobicContact SD-CZ 4.05Å; A98-F102 WeakPolarHBondContact O-CB 3.36Å; A98-F102 PolarHBondContact O-N 3.18Å; L99-F102 WeakPolarHBondContact O-CB 3.5Å; L99-F102 PolarHBondContact O-N 2.89Å; I100-F102 PolarHBondContact O-N 3.29Å; F102-V104 VanDerWaalsContact C-N 3.32Å; F102-V104 PolarHBondContact O-N 3.48Å; F102-S105 PolarHBondContact O-N 3.29Å; F102-C106 HydrophobicContact CD1-CB 4.4Å; F102-C106 HydrophobicContact CE1-CB 4.38Å; F102-C106 VanDerWaalsContact O-CB 3.22Å; F102-C106 WeakPolarHBondContact O-CB 3.34Å; F102-C106 PolarHBondContact O-N 3.45Å; F102-I108 HydrophobicContact CD1-CD1 3.44Å; F102-I108 VanDerWaalsContact CD1-CD1 3.44Å; F102-I108 HydrophobicContact CE1-CD1 3.32Å |
| 103 | Y | 94.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 175.9 | -92.4 | -101.9 | 0 | 0 | 0 | 112.5 | I84 K85 D88 L99 I100 K107 I108 V110 | I84-Y103 HydrophobicContact CD1-CD1 4.48Å; I84-Y103 HydrophobicContact CD1-CD2 4.32Å; I84-Y103 HydrophobicContact CD1-CE1 4.11Å; I84-Y103 HydrophobicContact CD1-CE2 3.94Å; K85-Y103 WeakPolarHBondContact CE-OH 3.44Å; D88-Y103 VanDerWaalsContact CG-OH 3.22Å; D88-Y103 PolarHBondContact OD1-OH 3.35Å; D88-Y103 VanDerWaalsContact OD1-OH 3.07Å; D88-Y103 PolarHBondContact OD2-OH 3.17Å; L99-Y103 HydrophobicContact CD1-CD2 4.04Å; L99-Y103 HydrophobicContact CD1-CE2 3.8Å; L99-Y103 HydrophobicContact CG-CD2 4.45Å; L99-Y103 HydrophobicContact CG-CE2 4.49Å; L99-Y103 WeakPolarHBondContact O-CD2 3.32Å; L99-Y103 PolarHBondContact O-N 2.7Å; L99-Y103 VanDerWaalsContact O-N 3.12Å; I100-Y103 PolarHBondContact O-N 3.14Å; I100-Y103 VanDerWaalsContact O-N 3.12Å; Y103-K107 WeakPolarHBondContact O-CA 3.16Å; Y103-K107 PolarHBondContact O-N 3.23Å; Y103-K107 VanDerWaalsContact O-N 3.15Å; Y103-I108 HydrophobicContact CD1-CB 3.72Å; Y103-I108 HydrophobicContact CD1-CG2 3.74Å; Y103-I108 HydrophobicContact CE1-CB 4.02Å; Y103-I108 HydrophobicContact CE1-CG2 3.48Å; Y103-I108 VanDerWaalsContact CE1-CG2 3.48Å; Y103-I108 HydrophobicContact CG-CB 4.16Å; Y103-I108 HydrophobicContact CG-CG2 4.48Å; Y103-I108 PolarHBondContact O-N 3.08Å; Y103-V110 HydrophobicContact CD1-CG2 4.15Å; Y103-V110 HydrophobicContact CE1-CG1 4.05Å; Y103-V110 HydrophobicContact CE1-CG2 4.34Å |
| 104 | V | 93.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.7 | -53 | 177.9 | 174 | 0 | 0 | 0 | 0 | 110.9 | F46 I100 N101 F102 K107 L120 | F46-V104 HydrophobicContact CE1-CG2 4.14Å; F46-V104 HydrophobicContact CZ-CG2 3.87Å; I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CG2 3.31Å; I100-V104 PolarHBondContact O-N 3.13Å; N101-V104 PolarHBondContact O-N 3.17Å; F102-V104 VanDerWaalsContact C-N 3.32Å; F102-V104 PolarHBondContact O-N 3.48Å; V104-K107 PolarHBondContact O-N 3.26Å; V104-L120 HydrophobicContact CG2-CB 3.76Å; V104-L120 HydrophobicContact CG2-CD1 4.47Å |
| 105 | S | 91.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.8 | -40.6 | -172.8 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | N101 F102 K107 | N101-S105 WeakPolarHBondContact O-CB 3.34Å; N101-S105 PolarHBondContact O-N 2.83Å; N101-S105 PolarHBondContact O-OG 3.36Å; F102-S105 PolarHBondContact O-N 3.29Å; S105-K107 VanDerWaalsContact C-N 3.3Å |
| 106 | C | 92.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -0.9 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | F102 I108 | F102-C106 HydrophobicContact CD1-CB 4.4Å; F102-C106 HydrophobicContact CE1-CB 4.38Å; F102-C106 VanDerWaalsContact O-CB 3.22Å; F102-C106 WeakPolarHBondContact O-CB 3.34Å; F102-C106 PolarHBondContact O-N 3.45Å; C106-I108 VanDerWaalsContact C-N 3.26Å; C106-I108 HydrophobicContact CB-CD1 4.06Å; C106-I108 HydrophobicContact CB-CG1 3.84Å; C106-I108 PolarHBondContact O-N 2.88Å |
| 107 | K | 94.1 | Very high | 90.7 | Very high | 161 Ų | 161 | 56.7 Ų | 56.7 | 70% | 0.7 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 44 | -177.8 | -57.4 | -179.5 | 179.6 | 177.9 | 0 | 112.1 | Y103 V104 S105 L119 | Y103-K107 WeakPolarHBondContact O-CA 3.16Å; Y103-K107 PolarHBondContact O-N 3.23Å; Y103-K107 VanDerWaalsContact O-N 3.15Å; V104-K107 PolarHBondContact O-N 3.26Å; S105-K107 VanDerWaalsContact C-N 3.3Å; K107-L119 VanDerWaalsContact C-CD2 3.48Å; K107-L119 HydrophobicContact CB-CD2 4.08Å; K107-L119 WeakPolarHBondContact O-CD2 3.47Å |
| 108 | I | 93.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 129.2 | 177.4 | -59.5 | 178.9 | 0 | 0 | 0 | 107.9 | F102 Y103 C106 | F102-I108 HydrophobicContact CD1-CD1 3.44Å; F102-I108 VanDerWaalsContact CD1-CD1 3.44Å; F102-I108 HydrophobicContact CE1-CD1 3.32Å; Y103-I108 HydrophobicContact CD1-CB 3.72Å; Y103-I108 HydrophobicContact CD1-CG2 3.74Å; Y103-I108 HydrophobicContact CE1-CB 4.02Å; Y103-I108 HydrophobicContact CE1-CG2 3.48Å; Y103-I108 VanDerWaalsContact CE1-CG2 3.48Å; Y103-I108 HydrophobicContact CG-CB 4.16Å; Y103-I108 HydrophobicContact CG-CG2 4.48Å; Y103-I108 PolarHBondContact O-N 3.08Å; C106-I108 VanDerWaalsContact C-N 3.26Å; C106-I108 HydrophobicContact CB-CD1 4.06Å; C106-I108 HydrophobicContact CB-CG1 3.84Å; C106-I108 PolarHBondContact O-N 2.88Å |
| 109 | R | 92.6 | Very high | 90.8 | Very high | 150 Ų | 150 | 57.8 Ų | 57.8 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 141.6 | 178.1 | -65.2 | -179.7 | 174 | -172.8 | -3.5 | 110.4 | W117 T118 L119 | R109-W117 HydrophobicContact CB-CB 4.11Å; R109-W117 HydrophobicContact CB-CD2 4.38Å; R109-W117 HydrophobicContact CB-CE3 3.68Å; R109-W117 HydrophobicContact CB-CZ3 4.47Å; R109-W117 WeakPolarHBondContact O-CZ3 3.33Å; R109-T118 CarbonylContact C-O 3.55Å; R109-T118 VanDerWaalsContact CA-O 3.23Å; R109-T118 WeakPolarHBondContact CA-O 3.5Å; R109-L119 HydrophobicContact CB-CD2 4.44Å; R109-L119 HydrophobicContact CG-CD2 3.56Å; R109-L119 HydrophobicContact CG-CG 4.04Å |
| 110 | V | 92 | Very high | 90.8 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.3 | 173.1 | -129.7 | 0 | 0 | 0 | 0 | 109.1 | I72 I84 Y103 W117 T118 L120 | I72-V110 HydrophobicContact CD1-CB 3.94Å; I72-V110 HydrophobicContact CD1-CG1 3.5Å; I72-V110 VanDerWaalsContact CD1-CG1 3.5Å; I84-V110 HydrophobicContact CD1-CG1 4.2Å; I84-V110 HydrophobicContact CG2-CG1 3.97Å; Y103-V110 HydrophobicContact CD1-CG2 4.15Å; Y103-V110 HydrophobicContact CE1-CG1 4.05Å; Y103-V110 HydrophobicContact CE1-CG2 4.34Å; V110-W117 WeakPolarHBondContact O-CA 3.08Å; V110-T118 PolarHBondContact N-O 2.76Å; V110-T118 PolarHBondContact O-N 2.61Å; V110-L120 HydrophobicContact CG2-CD2 3.88Å; V110-L120 HydrophobicContact CG2-CG 4.02Å |
| 111 | K | 89.7 | Confident | 90.8 | Very high | 130 Ų | 130 | 61.9 Ų | 61.9 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.6 | -178.6 | -165.4 | 177.6 | -180 | -177.4 | 0 | 109.2 | W117 | K111-W117 HydrophobicContact CB-CD2 4.14Å; K111-W117 HydrophobicContact CB-CE3 3.84Å; K111-W117 HydrophobicContact CB-CH2 3.72Å; K111-W117 HydrophobicContact CB-CZ2 3.98Å; K111-W117 HydrophobicContact CB-CZ3 3.63Å; K111-W117 HydrophobicContact CD-CH2 4.12Å; K111-W117 HydrophobicContact CD-CZ2 3.77Å; K111-W117 HydrophobicContact CG-CD2 4.25Å; K111-W117 HydrophobicContact CG-CE3 4.45Å; K111-W117 HydrophobicContact CG-CH2 4.16Å; K111-W117 HydrophobicContact CG-CZ2 3.9Å; K111-W117 HydrophobicContact CG-CZ3 4.42Å |
| 112 | M | 84.1 | Confident | 90.9 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 154.3 | 177.3 | -55.9 | -65 | -74 | 0 | 0 | 109.9 | T70 N114 G115 E116 T118 | T70-M112 HydrophobicContact CG2-CE 3.25Å; T70-M112 HydrophobicContact CG2-SD 3.45Å; T70-M112 WeakPolarHBondContact CG2-SD 3.38Å; M112-N114 WeakPolarHBondContact CB-OD1 3.3Å; M112-N114 PolarHBondContact O-N 3.42Å; M112-G115 WeakPolarHBondContact O-CA 3.46Å; M112-G115 PolarHBondContact O-N 3.17Å; M112-E116 HydrophobicContact CB-CB 4.37Å; M112-E116 WeakPolarHBondContact CB-O 3.39Å; M112-E116 HydrophobicContact CG-CB 4.4Å; M112-E116 WeakPolarHBondContact CG-O 3.41Å; M112-E116 PolarHBondContact N-O 3.3Å; M112-T118 HydrophobicContact CG-CG2 4.16Å; M112-T118 HydrophobicContact SD-CG2 3.45Å; M112-T118 WeakPolarHBondContact SD-CG2 3.37Å |
| 113 | P | 81.7 | Confident | 91 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 71% | 0.714 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28 | 178.2 | -26.5 | 35 | 0 | 0 | 0 | 114.4 | T70 G115 | T70-P113 WeakPolarHBondContact OG1-CD 3.45Å; T70-P113 WeakPolarHBondContact OG1-CG 3.49Å; P113-G115 PolarHBondContact O-N 2.78Å |
| 114 | N | 81.5 | Confident | 91.1 | Very high | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 0.5 | 173.8 | 68.9 | -6.1 | 0 | 0 | 0 | 113.3 | M112 E116 | M112-N114 WeakPolarHBondContact CB-OD1 3.3Å; M112-N114 PolarHBondContact O-N 3.42Å; N114-E116 VanDerWaalsContact C-N 3.33Å; N114-E116 PolarHBondContact ND2-OE2 3.21Å; N114-E116 VanDerWaalsContact OD1-CB 3.3Å; N114-E116 WeakPolarHBondContact OD1-CB 3.39Å; N114-E116 PolarHBondContact OD1-N 3.18Å |
| 115 | G | 84.2 | Confident | 91 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 87.6 | -8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | M112 P113 | M112-G115 WeakPolarHBondContact O-CA 3.46Å; M112-G115 PolarHBondContact O-N 3.17Å; P113-G115 PolarHBondContact O-N 2.78Å |
| 116 | E | 87.3 | Confident | 90.7 | Very high | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | trans | -71.8 | 165 | 175.8 | -64.6 | -175.6 | 150.3 | 0 | 0 | 111.9 | M112 N114 | M112-E116 HydrophobicContact CB-CB 4.37Å; M112-E116 WeakPolarHBondContact CB-O 3.39Å; M112-E116 HydrophobicContact CG-CB 4.4Å; M112-E116 WeakPolarHBondContact CG-O 3.41Å; M112-E116 PolarHBondContact N-O 3.3Å; N114-E116 VanDerWaalsContact C-N 3.33Å; N114-E116 PolarHBondContact ND2-OE2 3.21Å; N114-E116 VanDerWaalsContact OD1-CB 3.3Å; N114-E116 WeakPolarHBondContact OD1-CB 3.39Å; N114-E116 PolarHBondContact OD1-N 3.18Å | ||
| 117 | W | 90.9 | Very high | 90 | Very high | 134 Ų | 134 | 76.8 Ų | 76.8 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.7 | 177.5 | -68.4 | 88.9 | 0 | 0 | 0 | 109.8 | R109 V110 K111 | R109-W117 HydrophobicContact CB-CB 4.11Å; R109-W117 HydrophobicContact CB-CD2 4.38Å; R109-W117 HydrophobicContact CB-CE3 3.68Å; R109-W117 HydrophobicContact CB-CZ3 4.47Å; R109-W117 WeakPolarHBondContact O-CZ3 3.33Å; V110-W117 WeakPolarHBondContact O-CA 3.08Å; K111-W117 HydrophobicContact CB-CD2 4.14Å; K111-W117 HydrophobicContact CB-CE3 3.84Å; K111-W117 HydrophobicContact CB-CH2 3.72Å; K111-W117 HydrophobicContact CB-CZ2 3.98Å; K111-W117 HydrophobicContact CB-CZ3 3.63Å; K111-W117 HydrophobicContact CD-CH2 4.12Å; K111-W117 HydrophobicContact CD-CZ2 3.77Å; K111-W117 HydrophobicContact CG-CD2 4.25Å; K111-W117 HydrophobicContact CG-CE3 4.45Å; K111-W117 HydrophobicContact CG-CH2 4.16Å; K111-W117 HydrophobicContact CG-CZ2 3.9Å; K111-W117 HydrophobicContact CG-CZ3 4.42Å |
| 118 | T | 93 | Very high | 89.1 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.6 | 177 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | V62 R109 V110 M112 | V62-T118 HydrophobicContact CG1-CG2 3.53Å; R109-T118 CarbonylContact C-O 3.55Å; R109-T118 VanDerWaalsContact CA-O 3.23Å; R109-T118 WeakPolarHBondContact CA-O 3.5Å; V110-T118 PolarHBondContact N-O 2.76Å; V110-T118 PolarHBondContact O-N 2.61Å; M112-T118 HydrophobicContact CG-CG2 4.16Å; M112-T118 HydrophobicContact SD-CG2 3.45Å; M112-T118 WeakPolarHBondContact SD-CG2 3.37Å |
| 119 | L | 94.6 | Very high | 88 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.5 | 173.3 | -71.3 | 170 | 0 | 0 | 0 | 109.6 | G44 K107 R109 K121 | G44-L119 WeakPolarHBondContact CA-O 3.37Å; K107-L119 VanDerWaalsContact C-CD2 3.48Å; K107-L119 HydrophobicContact CB-CD2 4.08Å; K107-L119 WeakPolarHBondContact O-CD2 3.47Å; R109-L119 HydrophobicContact CB-CD2 4.44Å; R109-L119 HydrophobicContact CG-CD2 3.56Å; R109-L119 HydrophobicContact CG-CG 4.04Å; L119-K121 HydrophobicContact CB-CG 3.91Å; L119-K121 PolarHBondContact O-N 2.76Å |
| 120 | L | 95.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | trans | -75.5 | 106 | 164.6 | -53.7 | -172.9 | 0 | 0 | 0 | 107.9 | F46 L60 V62 I100 V104 V110 | F46-L120 HydrophobicContact CB-CD2 3.94Å; F46-L120 HydrophobicContact CD1-CB 3.69Å; F46-L120 HydrophobicContact CD1-CD2 4.26Å; F46-L120 HydrophobicContact CD1-CG 4.47Å; F46-L120 HydrophobicContact CE1-CB 3.75Å; F46-L120 HydrophobicContact CG-CB 4.25Å; F46-L120 HydrophobicContact CG-CD2 4.09Å; F46-L120 HydrophobicContact CZ-CB 4.36Å; L60-L120 HydrophobicContact CD2-CD1 3.79Å; L60-L120 HydrophobicContact CD2-CD2 3.82Å; L60-L120 HydrophobicContact CD2-CG 4.46Å; V62-L120 HydrophobicContact CB-CD2 4.41Å; V62-L120 HydrophobicContact CG1-CD2 3.82Å; V62-L120 HydrophobicContact CG2-CD2 3.61Å; I100-L120 HydrophobicContact CG2-CD1 4.39Å; V104-L120 HydrophobicContact CG2-CB 3.76Å; V104-L120 HydrophobicContact CG2-CD1 4.47Å; V110-L120 HydrophobicContact CG2-CD2 3.88Å; V110-L120 HydrophobicContact CG2-CG 4.02Å | ||
| 121 | K | 94.3 | Very high | 86.7 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -110.8 | -48.8 | -173.6 | -63.2 | 176.6 | -165.7 | 159.5 | 0 | 112.1 | E43 G44 L119 | E43-K121 IonicContact OE1-NZ 3.99Å; E43-K121 PolarHBondContact OE1-NZ 3.48Å; G44-K121 PolarHBondContact O-N 3.45Å; L119-K121 HydrophobicContact CB-CG 3.91Å; L119-K121 PolarHBondContact O-N 2.76Å | ||
| 122 | F | 94.8 | Very high | 86.5 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 101.1 | -168.6 | -51.4 | -63.6 | 0 | 0 | 0 | 110.2 | G44 D45 F46 V124 | G44-F122 PolarHBondContact O-N 2.96Å; D45-F122 WeakPolarHBondContact CA-O 3.35Å; D45-F122 WeakPolarHBondContact OD1-CB 3.09Å; F46-F122 PolarHBondContact N-O 3.45Å; F122-V124 PolarHBondContact O-N 3.39Å |
| 123 | P | 95.3 | Very high | 86.7 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 41% | 0.409 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 128 | 172 | 23.8 | -29.9 | 0 | 0 | 0 | 109.3 | F26 F46 E125 | F26-P123 HydrophobicContact CB-CB 3.93Å; F26-P123 HydrophobicContact CD1-CB 3.51Å; F26-P123 HydrophobicContact CD1-CG 4.5Å; F26-P123 HydrophobicContact CE1-CB 4.27Å; F26-P123 HydrophobicContact CG-CB 3.87Å; F46-P123 HydrophobicContact CE1-CB 4.07Å; F46-P123 HydrophobicContact CE1-CG 4.42Å; F46-P123 VanDerWaalsContact CE1-N 3.33Å; F46-P123 HydrophobicContact CE2-CB 3.85Å; F46-P123 HydrophobicContact CZ-CB 3.56Å; F46-P123 HydrophobicContact CZ-CG 4.09Å; F46-P123 CarbonylContact O-C 3.59Å; F46-P123 WeakPolarHBondContact O-CA 3.17Å; P123-E125 PolarHBondContact O-N 2.97Å |
| 124 | V | 95.5 | Very high | 87.1 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | trans | -91.4 | 102.8 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | F26 H28 H39 L40 D45 F46 L47 F122 | F26-V124 WeakPolarHBondContact CA-O 3.45Å; F26-V124 WeakPolarHBondContact CB-O 3.17Å; H28-V124 PolarHBondContact NE2-O 2.84Å; H39-V124 HydrophobicContact CB-CG1 3.98Å; L40-V124 HydrophobicContact CD2-CG2 3.91Å; D45-V124 HydrophobicContact CB-CG2 3.83Å; F46-V124 PolarHBondContact O-N 2.6Å; L47-V124 HydrophobicContact CB-CB 4.35Å; L47-V124 HydrophobicContact CD2-CB 4.39Å; F122-V124 PolarHBondContact O-N 3.39Å | ||
| 125 | E | 90.8 | Very high | 87.6 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | trans | -62.9 | 137 | -178.3 | -64.6 | -179.8 | 171.5 | 0 | 0 | 112.3 | P25 P123 K127 | P25-E125 HydrophobicContact CB-CG 4.46Å; P25-E125 CarbonylContact O-C 3.6Å; P25-E125 VanDerWaalsContact O-CA 3.3Å; P25-E125 WeakPolarHBondContact O-CA 3.3Å; P123-E125 PolarHBondContact O-N 2.97Å; E125-K127 PolarHBondContact O-N 3.3Å | ||
| 126 | N | 86.7 | Confident | 87.9 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | trans | -79.8 | 95.7 | 171.1 | 179.3 | 7 | 0 | 0 | 0 | 109.5 | P25 F27 A128 I129 | P25-N126 PolarHBondContact O-N 2.59Å; F27-N126 WeakPolarHBondContact O-CB 3.48Å; F27-N126 PolarHBondContact O-ND2 3.04Å; N126-A128 PolarHBondContact O-N 3.02Å; N126-A128 VanDerWaalsContact O-N 3.11Å; N126-A128 WeakPolarHBondContact OD1-CA 3.29Å; N126-A128 VanDerWaalsContact OD1-CB 3.31Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 3.38Å; N126-I129 HydrophobicContact CB-CB 4.46Å; N126-I129 WeakPolarHBondContact O-CB 3.48Å; N126-I129 WeakPolarHBondContact O-CG2 3.33Å; N126-I129 PolarHBondContact O-N 3.03Å; N126-I129 VanDerWaalsContact O-N 3.11Å | ||
| 127 | K | 77.7 | Confident | 87.9 | Confident | 192 Ų | 192 | 59.6 Ų | 59.6 | 84% | 0.835 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.6 | 176.9 | -63.8 | -172.4 | 177.7 | -172.7 | 0 | 114 | E125 | E125-K127 PolarHBondContact O-N 3.3Š|
| 128 | A | 75.9 | Confident | 87.7 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N126 D130 E131 | N126-A128 PolarHBondContact O-N 3.02Å; N126-A128 VanDerWaalsContact O-N 3.11Å; N126-A128 WeakPolarHBondContact OD1-CA 3.29Å; N126-A128 VanDerWaalsContact OD1-CB 3.31Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 3.38Å; A128-D130 PolarHBondContact O-N 2.98Å; A128-E131 HydrophobicContact CB-CB 4.44Å; A128-E131 VanDerWaalsContact O-CB 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.28Å; A128-E131 PolarHBondContact O-N 3.17Å |
| 129 | I | 70.9 | Confident | 87.4 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 28% | 0.277 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.6 | -177.4 | -155.3 | 165.9 | 0 | 0 | 0 | 111.7 | N126 H132 | N126-I129 HydrophobicContact CB-CB 4.46Å; N126-I129 WeakPolarHBondContact O-CB 3.48Å; N126-I129 WeakPolarHBondContact O-CG2 3.33Å; N126-I129 PolarHBondContact O-N 3.03Å; N126-I129 VanDerWaalsContact O-N 3.11Å; I129-H132 PolarHBondContact O-CE1 2.82Å; I129-H132 PolarHBondContact O-ND1 3.5Å |
| 130 | D | 76 | Confident | 87.2 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8.7 | 178.2 | -62.8 | -32.8 | 0 | 0 | 0 | 113 | A128 H132 L133 L261 | A128-D130 PolarHBondContact O-N 2.98Å; D130-H132 PolarHBondContact O-N 3.04Å; D130-H132 VanDerWaalsContact O-N 3.17Å; D130-L133 HydrophobicContact CB-CD1 4.32Å; D130-L133 WeakPolarHBondContact O-CB 3.37Å; D130-L133 PolarHBondContact O-N 3.01Å; D130-L261 HydrophobicContact CB-CD2 4.43Å |
| 131 | E | 81.3 | Confident | 87.1 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -59.1 | -34.5 | -176.4 | -164 | -162.2 | 135.2 | 0 | 0 | 111.5 | A128 L133 L134 K244 | A128-E131 HydrophobicContact CB-CB 4.44Å; A128-E131 VanDerWaalsContact O-CB 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.28Å; A128-E131 PolarHBondContact O-N 3.17Å; E131-L133 PolarHBondContact O-N 3.23Å; E131-L134 HydrophobicContact CB-CD1 4.43Å; E131-L134 HydrophobicContact CG-CD1 3.94Å; E131-L134 WeakPolarHBondContact O-CB 3.44Å; E131-L134 PolarHBondContact O-N 3.22Å; E131-L134 VanDerWaalsContact O-N 3.1Å; E131-K244 IonicContact OE1-NZ 2.84Å; E131-K244 PolarHBondContact OE1-NZ 2.92Å |
| 132 | H | 84.1 | Confident | 86.9 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65.3 | -18.1 | 177.5 | 67.8 | -89.5 | 0 | 0 | 0 | 114.1 | I129 D130 K225 I240 P242 | I129-H132 PolarHBondContact O-CE1 2.82Å; I129-H132 PolarHBondContact O-ND1 3.5Å; D130-H132 PolarHBondContact O-N 3.04Å; D130-H132 VanDerWaalsContact O-N 3.17Å; H132-K225 WeakPolarHBondContact O-CE 3.48Å; H132-I240 PolarHBondContact CD2-O 2.91Å; H132-P242 HydrophobicContact CB-CG 4.17Å |
| 133 | L | 88.3 | Confident | 86.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -93.9 | -7.2 | 177 | -57.4 | 176.2 | 0 | 0 | 0 | 112.7 | D130 E131 A228 R229 L261 A262 | D130-L133 HydrophobicContact CB-CD1 4.32Å; D130-L133 WeakPolarHBondContact O-CB 3.37Å; D130-L133 PolarHBondContact O-N 3.01Å; E131-L133 PolarHBondContact O-N 3.23Å; L133-A228 HydrophobicContact CD2-CB 3.72Å; L133-R229 HydrophobicContact CD1-CB 4.4Å; L133-R229 HydrophobicContact CD1-CG 4.28Å; L133-R229 HydrophobicContact CD2-CB 4.27Å; L133-L261 HydrophobicContact CB-CD2 3.71Å; L133-A262 PolarHBondContact O-N 2.79Å |
| 134 | L | 90.1 | Very high | 86.6 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 134.4 | 177 | -62.4 | 172.4 | 0 | 0 | 0 | 110.2 | E131 K225 R259 R260 L261 | E131-L134 HydrophobicContact CB-CD1 4.43Å; E131-L134 HydrophobicContact CG-CD1 3.94Å; E131-L134 WeakPolarHBondContact O-CB 3.44Å; E131-L134 PolarHBondContact O-N 3.22Å; E131-L134 VanDerWaalsContact O-N 3.1Å; L134-K225 VanDerWaalsContact O-CD 3.26Å; L134-K225 WeakPolarHBondContact O-CD 3.34Å; L134-K225 WeakPolarHBondContact O-CE 3.31Å; L134-K225 PolarHBondContact O-NZ 3.09Å; L134-R259 HydrophobicContact CB-CB 4.17Å; L134-R259 HydrophobicContact CD1-CB 4.04Å; L134-R259 HydrophobicContact CD2-CB 4.13Å; L134-R259 HydrophobicContact CG-CB 4.36Å; L134-R260 WeakPolarHBondContact CA-O 3.12Å; L134-L261 HydrophobicContact CD2-CD2 3.78Å; L134-L261 HydrophobicContact CD2-CG 4.04Å; L134-L261 HydrophobicContact CG-CD2 4.4Å |
| 135 | L | 92.3 | Very high | 86.4 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 150.3 | 177.6 | -63.8 | 167.3 | 0 | 0 | 0 | 112 | D221 H222 K225 R259 R260 A262 | L135-D221 VanDerWaalsContact CA-OD2 3.24Å; L135-D221 WeakPolarHBondContact CA-OD2 3.2Å; L135-D221 WeakPolarHBondContact CD2-OD2 3.46Å; L135-H222 VanDerWaalsContact CD1-NE2 3.31Å; L135-H222 WeakPolarHBondContact CD1-NE2 3.44Å; L135-H222 HydrophobicContact CD2-CB 4.11Å; L135-K225 HydrophobicContact CD2-CD 4.48Å; L135-R259 PolarHBondContact O-NE 3.3Å; L135-R260 HydrophobicContact CD1-CB 4.27Å; L135-R260 PolarHBondContact N-O 3.13Å; L135-A262 HydrophobicContact CD2-CB 3.72Å; L135-A262 HydrophobicContact CG-CB 4.28Å |
| 136 | E | 91.6 | Very high | 86.6 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.9 | 169.3 | -62.7 | -55.3 | 138.8 | 0 | 0 | 110.3 | T138 W144 T145 Y146 D221 K225 R259 | E136-T138 PolarHBondContact O-N 2.75Å; E136-W144 HydrophobicContact CB-CG 4.08Å; E136-W144 HydrophobicContact CG-CB 3.94Å; E136-W144 HydrophobicContact CG-CD2 4.11Å; E136-W144 HydrophobicContact CG-CG 3.64Å; E136-T145 PolarHBondContact OE1-OG1 2.94Å; E136-T145 WeakPolarHBondContact OE2-CG2 3.15Å; E136-T145 PolarHBondContact OE2-N 3.17Å; E136-Y146 HydrophobicContact CG-CE1 3.94Å; E136-D221 PolarHBondContact N-OD2 3.49Å; E136-K225 IonicContact OE1-NZ 2.85Å; E136-K225 PolarHBondContact OE1-NZ 3.1Å; E136-R259 IonicContact OE2-NH2 3.66Å |
| 137 | L | 86.6 | Confident | 87 | Confident | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -73.7 | -7.2 | -173.4 | -72.1 | 171.3 | 0 | 0 | 0 | 113.9 | Y253 K257 R259 | L137-Y253 HydrophobicContact CD1-CD2 4.23Å; L137-Y253 HydrophobicContact CD1-CE2 4.11Å; L137-K257 HydrophobicContact CD2-CB 4.04Å; L137-R259 HydrophobicContact CD2-CG 3.56Å; L137-R259 HydrophobicContact CG-CG 4.16Å |
| 138 | T | 87.6 | Confident | 87.8 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | trans | -145.5 | 142.6 | -168.9 | 170.2 | 0 | 0 | 0 | 0 | 109.5 | E136 N140 K143 W144 | E136-T138 PolarHBondContact O-N 2.75Å; T138-N140 PolarHBondContact O-N 2.92Å; T138-N140 WeakPolarHBondContact OG1-CB 3.49Å; T138-N140 PolarHBondContact OG1-N 3.18Å; T138-N140 VanDerWaalsContact OG1-N 3.11Å; T138-K143 HydrophobicContact CG2-CB 3.6Å; T138-K143 HydrophobicContact CG2-CD 4.17Å; T138-K143 HydrophobicContact CG2-CG 4.47Å; T138-W144 PolarHBondContact O-NE1 3.23Å | ||
| 139 | D | 86 | Confident | 88.6 | Confident | 122 Ų | 122 | 43 Ų | 43 | 65% | 0.652 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -77 | -9.1 | 174.3 | -58.7 | -34.9 | 0 | 0 | 0 | 112.4 | I141 T219 | D139-I141 PolarHBondContact O-N 3.24Å; D139-T219 HydrophobicContact CB-CG2 4.46Å; D139-T219 WeakPolarHBondContact OD1-CG2 3.25Å |
| 140 | N | 90.2 | Very high | 89.6 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | trans | -74.2 | 108.3 | 173.9 | -174.3 | -14.7 | 0 | 0 | 0 | 111.6 | T138 D142 K143 W144 | T138-N140 PolarHBondContact O-N 2.92Å; T138-N140 WeakPolarHBondContact OG1-CB 3.49Å; T138-N140 PolarHBondContact OG1-N 3.18Å; T138-N140 VanDerWaalsContact OG1-N 3.11Å; N140-D142 VanDerWaalsContact C-N 3.3Å; N140-D142 PolarHBondContact O-N 3.42Å; N140-D142 WeakPolarHBondContact OD1-CB 3.47Å; N140-D142 PolarHBondContact OD1-N 2.65Å; N140-K143 HydrophobicContact CB-CD 4.47Å; N140-K143 HydrophobicContact CB-CG 4.39Å; N140-K143 WeakPolarHBondContact O-CB 3.45Å; N140-K143 PolarHBondContact O-N 3.44Å; N140-K143 VanDerWaalsContact O-N 3.09Å; N140-W144 VanDerWaalsContact O-CD1 3.26Å | ||
| 141 | I | 92.9 | Very high | 90.3 | Very high | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.1 | -35.3 | -178 | -62.7 | 176.8 | 0 | 0 | 0 | 112.9 | D139 K143 W144 F147 L169 P173 L179 | D139-I141 PolarHBondContact O-N 3.24Å; I141-K143 PolarHBondContact O-N 2.89Å; I141-W144 HydrophobicContact CB-CD2 4.34Å; I141-W144 HydrophobicContact CB-CE3 4.47Å; I141-W144 HydrophobicContact CD1-CH2 4.31Å; I141-W144 HydrophobicContact CD1-CZ3 4.49Å; I141-W144 HydrophobicContact CG1-CD2 4.19Å; I141-W144 HydrophobicContact CG1-CE3 4.2Å; I141-W144 HydrophobicContact CG1-CH2 3.79Å; I141-W144 HydrophobicContact CG1-CZ2 3.79Å; I141-W144 HydrophobicContact CG1-CZ3 4Å; I141-W144 HydrophobicContact CG2-CD2 4.43Å; I141-W144 HydrophobicContact CG2-CE3 4.19Å; I141-W144 WeakPolarHBondContact O-CB 3.42Å; I141-W144 PolarHBondContact O-N 2.99Å; I141-F147 HydrophobicContact CG2-CB 4.31Å; I141-F147 HydrophobicContact CG2-CD1 4.46Å; I141-F147 HydrophobicContact CG2-CD2 3.68Å; I141-F147 HydrophobicContact CG2-CE2 4.05Å; I141-F147 HydrophobicContact CG2-CG 3.9Å; I141-F147 WeakPolarHBondContact O-CB 3.43Å; I141-L169 HydrophobicContact CG2-CD2 3.7Å; I141-P173 HydrophobicContact CB-CB 4.11Å; I141-P173 HydrophobicContact CG2-CB 4.5Å; I141-L179 HydrophobicContact CD1-CD1 3.53Å; I141-L179 HydrophobicContact CD1-CD2 4.35Å |
| 142 | D | 90.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 46 Ų | 46 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -59 | -23.3 | 178.6 | -73.8 | -50.7 | 0 | 0 | 0 | 113.4 | N140 F147 P173 R245 | N140-D142 VanDerWaalsContact C-N 3.3Å; N140-D142 PolarHBondContact O-N 3.42Å; N140-D142 WeakPolarHBondContact OD1-CB 3.47Å; N140-D142 PolarHBondContact OD1-N 2.65Å; D142-F147 VanDerWaalsContact OD1-CE1 3.27Å; D142-F147 WeakPolarHBondContact OD1-CE1 3.15Å; D142-P173 WeakPolarHBondContact OD1-CG 3.44Å; D142-P173 WeakPolarHBondContact OD2-CG 3.39Å; D142-R245 PolarHBondContact O-NH1 3.12Å |
| 143 | K | 90.3 | Very high | 91.2 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -95.8 | -7.8 | -178.7 | -60.8 | -168.3 | 174.2 | -166 | 0 | 113.2 | T138 N140 I141 | T138-K143 HydrophobicContact CG2-CB 3.6Å; T138-K143 HydrophobicContact CG2-CD 4.17Å; T138-K143 HydrophobicContact CG2-CG 4.47Å; N140-K143 HydrophobicContact CB-CD 4.47Å; N140-K143 HydrophobicContact CB-CG 4.39Å; N140-K143 WeakPolarHBondContact O-CB 3.45Å; N140-K143 PolarHBondContact O-N 3.44Å; N140-K143 VanDerWaalsContact O-N 3.09Å; I141-K143 PolarHBondContact O-N 2.89Å |
| 144 | W | 92.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | trans | -65.4 | 139.7 | 179.1 | -67.5 | 1.4 | 0 | 0 | 0 | 110.3 | E136 T138 N140 I141 Y146 F147 L169 L220 D221 | E136-W144 HydrophobicContact CB-CG 4.08Å; E136-W144 HydrophobicContact CG-CB 3.94Å; E136-W144 HydrophobicContact CG-CD2 4.11Å; E136-W144 HydrophobicContact CG-CG 3.64Å; T138-W144 PolarHBondContact O-NE1 3.23Å; N140-W144 VanDerWaalsContact O-CD1 3.26Å; I141-W144 HydrophobicContact CB-CD2 4.34Å; I141-W144 HydrophobicContact CB-CE3 4.47Å; I141-W144 HydrophobicContact CD1-CH2 4.31Å; I141-W144 HydrophobicContact CD1-CZ3 4.49Å; I141-W144 HydrophobicContact CG1-CD2 4.19Å; I141-W144 HydrophobicContact CG1-CE3 4.2Å; I141-W144 HydrophobicContact CG1-CH2 3.79Å; I141-W144 HydrophobicContact CG1-CZ2 3.79Å; I141-W144 HydrophobicContact CG1-CZ3 4Å; I141-W144 HydrophobicContact CG2-CD2 4.43Å; I141-W144 HydrophobicContact CG2-CE3 4.19Å; I141-W144 WeakPolarHBondContact O-CB 3.42Å; I141-W144 PolarHBondContact O-N 2.99Å; W144-Y146 HydrophobicContact CB-CD1 4.46Å; W144-Y146 HydrophobicContact CB-CE1 4.27Å; W144-Y146 HydrophobicContact CE3-CE1 4.17Å; W144-Y146 HydrophobicContact CE3-CE2 4.25Å; W144-Y146 AromaticContact CE3-CZ 3.64Å; W144-Y146 WeakPolarHBondContact CZ3-OH 3.38Å; W144-Y146 PolarHBondContact O-N 2.97Å; W144-Y146 VanDerWaalsContact O-N 3.15Å; W144-F147 HydrophobicContact CB-CB 4.13Å; W144-F147 PolarHBondContact O-N 3.18Å; W144-L169 HydrophobicContact CE3-CD2 3.75Å; W144-L169 HydrophobicContact CZ3-CD2 3.85Å; W144-L220 HydrophobicContact CH2-CB 4.01Å; W144-L220 HydrophobicContact CZ3-CB 4.12Å; W144-D221 HydrophobicContact CD2-CB 4.37Å; W144-D221 HydrophobicContact CE3-CB 4.2Å; W144-D221 HydrophobicContact CH2-CB 3.54Å; W144-D221 VanDerWaalsContact CH2-N 3.29Å; W144-D221 HydrophobicContact CZ2-CB 3.69Å; W144-D221 HydrophobicContact CZ3-CB 3.81Å | ||
| 145 | T | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.4 | -172.8 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | E136 K244 R245 F248 | E136-T145 PolarHBondContact OE1-OG1 2.94Å; E136-T145 WeakPolarHBondContact OE2-CG2 3.15Å; E136-T145 PolarHBondContact OE2-N 3.17Å; T145-K244 CarbonylContact O-C 3.44Å; T145-K244 VanDerWaalsContact O-CA 3.28Å; T145-K244 WeakPolarHBondContact O-CA 3.12Å; T145-R245 PolarHBondContact O-N 3.37Å; T145-F248 HydrophobicContact CG2-CD1 4.14Å; T145-F248 HydrophobicContact CG2-CD2 3.48Å; T145-F248 VanDerWaalsContact CG2-CD2 3.48Å; T145-F248 HydrophobicContact CG2-CE1 3.91Å; T145-F248 HydrophobicContact CG2-CE2 3.22Å; T145-F248 HydrophobicContact CG2-CG 3.95Å; T145-F248 HydrophobicContact CG2-CZ 3.44Å; T145-F248 VanDerWaalsContact CG2-CZ 3.44Å |
| 146 | Y | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 13.5 | -175.3 | 66.7 | -85 | 0 | 0 | 0 | 113.4 | E136 W144 H148 Y167 L169 L181 D221 P242 V243 | E136-Y146 HydrophobicContact CG-CE1 3.94Å; W144-Y146 HydrophobicContact CB-CD1 4.46Å; W144-Y146 HydrophobicContact CB-CE1 4.27Å; W144-Y146 HydrophobicContact CE3-CE1 4.17Å; W144-Y146 HydrophobicContact CE3-CE2 4.25Å; W144-Y146 AromaticContact CE3-CZ 3.64Å; W144-Y146 WeakPolarHBondContact CZ3-OH 3.38Å; W144-Y146 PolarHBondContact O-N 2.97Å; W144-Y146 VanDerWaalsContact O-N 3.15Å; Y146-H148 PolarHBondContact O-CD2 2.79Å; Y146-H148 VanDerWaalsContact O-CD2 3.3Å; Y146-Y167 HydrophobicContact CD2-CD2 4.25Å; Y146-Y167 AromaticContact CD2-CE2 3.96Å; Y146-Y167 HydrophobicContact CD2-CE2 3.96Å; Y146-Y167 HydrophobicContact CE2-CD2 4.46Å; Y146-Y167 AromaticContact CE2-CE2 3.98Å; Y146-Y167 HydrophobicContact CE2-CE2 3.98Å; Y146-Y167 HydrophobicContact CG-CE2 4.45Å; Y146-L169 HydrophobicContact CD2-CB 3.87Å; Y146-L169 HydrophobicContact CE2-CB 3.87Å; Y146-L169 HydrophobicContact CE2-CD2 4.37Å; Y146-L169 PolarHBondContact O-N 2.59Å; Y146-L181 HydrophobicContact CE2-CD2 4.38Å; Y146-D221 WeakPolarHBondContact CE1-OD1 3.42Å; Y146-D221 WeakPolarHBondContact OH-CA 3.37Å; Y146-D221 WeakPolarHBondContact OH-CB 3.34Å; Y146-D221 PolarHBondContact OH-OD1 3.49Å; Y146-P242 HydrophobicContact CD1-CB 3.94Å; Y146-P242 HydrophobicContact CG-CB 3.8Å; Y146-V243 WeakPolarHBondContact CA-O 3.33Å |
| 147 | F | 95 | Very high | 91.7 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -88.2 | 119.5 | 167.9 | 177.4 | -109.4 | 0 | 0 | 0 | 109.8 | I141 D142 W144 G149 L169 G171 P173 | I141-F147 HydrophobicContact CG2-CB 4.31Å; I141-F147 HydrophobicContact CG2-CD1 4.46Å; I141-F147 HydrophobicContact CG2-CD2 3.68Å; I141-F147 HydrophobicContact CG2-CE2 4.05Å; I141-F147 HydrophobicContact CG2-CG 3.9Å; I141-F147 WeakPolarHBondContact O-CB 3.43Å; D142-F147 VanDerWaalsContact OD1-CE1 3.27Å; D142-F147 WeakPolarHBondContact OD1-CE1 3.15Å; W144-F147 HydrophobicContact CB-CB 4.13Å; W144-F147 PolarHBondContact O-N 3.18Å; F147-G149 VanDerWaalsContact CZ-CA 3.49Å; F147-L169 WeakPolarHBondContact CA-O 3.49Å; F147-L169 HydrophobicContact CD2-CB 4.37Å; F147-L169 HydrophobicContact CD2-CD2 4.01Å; F147-L169 HydrophobicContact CD2-CG 3.98Å; F147-G171 VanDerWaalsContact CE2-O 3.31Å; F147-G171 WeakPolarHBondContact CE2-O 3.49Å; F147-G171 VanDerWaalsContact CZ-O 3.22Å; F147-G171 WeakPolarHBondContact CZ-O 3.01Å; F147-P173 HydrophobicContact CE1-CG 4.13Å; F147-P173 HydrophobicContact CZ-CG 3.85Å |
| 148 | H | 94.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | trans | -103.5 | 17.7 | -175.1 | -71.6 | -102.6 | 0 | 0 | 0 | 113.2 | Y146 L152 L169 V243 | Y146-H148 PolarHBondContact O-CD2 2.79Å; Y146-H148 VanDerWaalsContact O-CD2 3.3Å; H148-L152 HydrophobicContact CB-CD1 4.08Å; H148-L152 HydrophobicContact CB-CD2 3.98Å; H148-L169 PolarHBondContact N-O 3.11Å; H148-V243 PolarHBondContact NE2-O 2.96Å | ||
| 149 | G | 92.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | trans | 91.7 | -175.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F147 H151 T170 G171 | F147-G149 VanDerWaalsContact CZ-CA 3.49Å; G149-H151 PolarHBondContact O-N 2.76Å; G149-T170 VanDerWaalsContact O-CA 3.26Å; G149-T170 WeakPolarHBondContact O-CA 3.49Å; G149-T170 WeakPolarHBondContact O-CB 3.16Å; G149-G171 PolarHBondContact O-N 2.91Å; G149-G171 VanDerWaalsContact O-N 3.09Å | ||
| 150 | P | 92.7 | Very high | 92.7 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -74.7 | -24.3 | -171 | 29.4 | -35.7 | 0 | 0 | 0 | 114.4 | G171 M172 | P150-G171 VanDerWaalsContact CA-O 3.31Å; P150-G171 WeakPolarHBondContact CA-O 3.43Å; P150-M172 HydrophobicContact CB-SD 3.52Å; P150-M172 VanDerWaalsContact CB-SD 3.52Å |
| 151 | H | 89.4 | Confident | 93 | Very high | 158 Ų | 158 | 51.9 Ų | 51.9 | 73% | 0.731 | 28% | 0.278 | S | S | * | . | trans | -140.9 | 131.7 | 178.5 | -166.2 | 68.3 | 0 | 0 | 0 | 109.6 | G149 | G149-H151 PolarHBondContact O-N 2.76Š| ||
| 152 | L | 90.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | trans | -133.8 | 118.5 | 176.3 | -164.4 | 68.6 | 0 | 0 | 0 | 107 | H148 T156 R157 L160 L168 T170 | H148-L152 HydrophobicContact CB-CD1 4.08Å; H148-L152 HydrophobicContact CB-CD2 3.98Å; L152-T156 HydrophobicContact CD1-CG2 3.58Å; L152-T156 HydrophobicContact CG-CG2 4.19Å; L152-R157 HydrophobicContact CB-CG 4.37Å; L152-R157 HydrophobicContact CD2-CG 3.53Å; L152-R157 HydrophobicContact CG-CG 3.87Å; L152-R157 PolarHBondContact O-NH1 2.82Å; L152-L160 HydrophobicContact CD2-CD1 4.37Å; L152-L168 HydrophobicContact CD2-CD1 3.58Å; L152-L168 HydrophobicContact CD2-CD2 3.84Å; L152-L168 HydrophobicContact CD2-CG 4.4Å; L152-T170 HydrophobicContact CB-CG2 3.75Å; L152-T170 HydrophobicContact CD2-CG2 4.02Å | ||
| 153 | D | 93 | Very high | 92.7 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | trans | -68.3 | 161.8 | 179.5 | 59 | 90.4 | 0 | 0 | 0 | 111.9 | D155 T156 R157 | D153-D155 PolarHBondContact OD1-N 3.48Å; D153-T156 PolarHBondContact O-N 3.13Å; D153-T156 VanDerWaalsContact OD1-CB 3.32Å; D153-T156 WeakPolarHBondContact OD1-CB 3.43Å; D153-T156 PolarHBondContact OD1-N 3.45Å; D153-T156 PolarHBondContact OD1-OG1 3.18Å; D153-T156 PolarHBondContact OD2-OG1 2.78Å; D153-R157 WeakPolarHBondContact O-CG 3.46Å; D153-R157 PolarHBondContact O-N 3.39Å; D153-R157 VanDerWaalsContact O-N 3.13Å | ||
| 154 | A | 93.5 | Very high | 92.7 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T156 R157 E158 | A154-T156 VanDerWaalsContact C-N 3.32Å; A154-T156 PolarHBondContact O-N 2.86Å; A154-R157 WeakPolarHBondContact O-CB 3.45Å; A154-R157 PolarHBondContact O-N 3.27Å; A154-R157 VanDerWaalsContact O-N 3.09Å; A154-E158 PolarHBondContact O-N 3.37Å |
| 155 | D | 93.5 | Very high | 92.6 | Very high | 123 Ų | 123 | 54.6 Ų | 54.6 | 66% | 0.658 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | -178.7 | -59.9 | -13.3 | 0 | 0 | 0 | 110.9 | D153 R157 E158 S159 | D153-D155 PolarHBondContact OD1-N 3.48Å; D155-R157 VanDerWaalsContact C-N 3.35Å; D155-R157 PolarHBondContact O-N 2.79Å; D155-E158 PolarHBondContact O-N 3.1Å; D155-S159 WeakPolarHBondContact O-CB 3.33Å; D155-S159 PolarHBondContact O-N 2.84Å |
| 156 | T | 93.2 | Very high | 92.7 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | L152 D153 A154 S159 L160 | L152-T156 HydrophobicContact CD1-CG2 3.58Å; L152-T156 HydrophobicContact CG-CG2 4.19Å; D153-T156 PolarHBondContact O-N 3.13Å; D153-T156 VanDerWaalsContact OD1-CB 3.32Å; D153-T156 WeakPolarHBondContact OD1-CB 3.43Å; D153-T156 PolarHBondContact OD1-N 3.45Å; D153-T156 PolarHBondContact OD1-OG1 3.18Å; D153-T156 PolarHBondContact OD2-OG1 2.78Å; A154-T156 VanDerWaalsContact C-N 3.32Å; A154-T156 PolarHBondContact O-N 2.86Å; T156-S159 WeakPolarHBondContact CA-OG 3.38Å; T156-S159 PolarHBondContact O-N 2.76Å; T156-S159 PolarHBondContact O-OG 3.5Å; T156-L160 HydrophobicContact CG2-CD1 3.83Å; T156-L160 HydrophobicContact CG2-CG 4.39Å; T156-L160 VanDerWaalsContact O-CG 3.25Å; T156-L160 WeakPolarHBondContact O-CG 3.24Å; T156-L160 PolarHBondContact O-N 3.32Å |
| 157 | R | 94.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 18% | 0.177 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 175.5 | -71.2 | -176.9 | -58.7 | -130.3 | 14.5 | 112.2 | L152 D153 A154 D155 S159 L160 L161 Y182 I189 | L152-R157 HydrophobicContact CB-CG 4.37Å; L152-R157 HydrophobicContact CD2-CG 3.53Å; L152-R157 HydrophobicContact CG-CG 3.87Å; L152-R157 PolarHBondContact O-NH1 2.82Å; D153-R157 WeakPolarHBondContact O-CG 3.46Å; D153-R157 PolarHBondContact O-N 3.39Å; D153-R157 VanDerWaalsContact O-N 3.13Å; A154-R157 WeakPolarHBondContact O-CB 3.45Å; A154-R157 PolarHBondContact O-N 3.27Å; A154-R157 VanDerWaalsContact O-N 3.09Å; D155-R157 VanDerWaalsContact C-N 3.35Å; D155-R157 PolarHBondContact O-N 2.79Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.81Å; R157-L160 PolarHBondContact O-N 3.26Å; R157-L160 VanDerWaalsContact O-N 3.13Å; R157-L161 WeakPolarHBondContact O-CB 3.24Å; R157-L161 PolarHBondContact O-N 3.32Å; R157-Y182 PolarHBondContact NH1-OH 3.26Å; R157-I189 HydrophobicContact CB-CD1 4.07Å |
| 158 | E | 93.2 | Very high | 92.9 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -35.5 | 176.4 | -72 | -179.1 | -172.2 | 0 | 0 | 112.1 | A154 D155 L160 I189 | A154-E158 PolarHBondContact O-N 3.37Å; D155-E158 PolarHBondContact O-N 3.1Å; E158-L160 VanDerWaalsContact C-N 3.26Å; E158-L160 PolarHBondContact O-N 2.89Å; E158-I189 HydrophobicContact CB-CD1 4.38Å; E158-I189 HydrophobicContact CG-CD1 3.73Å |
| 159 | S | 93.2 | Very high | 93 | Very high | 67 Ų | 67 | 53 Ų | 53 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.5 | -12 | 176.3 | 80 | 0 | 0 | 0 | 0 | 114.9 | D155 T156 R157 H162 | D155-S159 WeakPolarHBondContact O-CB 3.33Å; D155-S159 PolarHBondContact O-N 2.84Å; T156-S159 WeakPolarHBondContact CA-OG 3.38Å; T156-S159 PolarHBondContact O-N 2.76Å; T156-S159 PolarHBondContact O-OG 3.5Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.81Å; S159-H162 VanDerWaalsContact C-CE1 3.42Å; S159-H162 PolarHBondContact O-CE1 3.04Å; S159-H162 PolarHBondContact O-NE2 3.46Å |
| 160 | L | 94.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -110.3 | -35.8 | -175.4 | -73.6 | 174.9 | 0 | 0 | 0 | 112.9 | L152 T156 R157 E158 L168 V243 | L152-L160 HydrophobicContact CD2-CD1 4.37Å; T156-L160 HydrophobicContact CG2-CD1 3.83Å; T156-L160 HydrophobicContact CG2-CG 4.39Å; T156-L160 VanDerWaalsContact O-CG 3.25Å; T156-L160 WeakPolarHBondContact O-CG 3.24Å; T156-L160 PolarHBondContact O-N 3.32Å; R157-L160 PolarHBondContact O-N 3.26Å; R157-L160 VanDerWaalsContact O-N 3.13Å; E158-L160 VanDerWaalsContact C-N 3.26Å; E158-L160 PolarHBondContact O-N 2.89Å; L160-L168 HydrophobicContact CB-CD2 4.08Å; L160-L168 HydrophobicContact CD1-CD2 3.99Å; L160-V243 HydrophobicContact CB-CG1 4.18Å; L160-V243 HydrophobicContact CD2-CG1 4.31Å |
| 161 | L | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -98 | 99.7 | -175.1 | -63.6 | 172.2 | 0 | 0 | 0 | 109.1 | R157 D166 L168 M184 I189 V243 | R157-L161 WeakPolarHBondContact O-CB 3.24Å; R157-L161 PolarHBondContact O-N 3.32Å; L161-D166 HydrophobicContact CD2-CB 4.08Å; L161-L168 HydrophobicContact CD1-CD2 4.12Å; L161-L168 HydrophobicContact CD1-CG 4.21Å; L161-L168 HydrophobicContact CD2-CD2 3.93Å; L161-L168 HydrophobicContact CD2-CG 4.03Å; L161-L168 HydrophobicContact CG-CD2 3.85Å; L161-L168 HydrophobicContact CG-CG 4.28Å; L161-M184 HydrophobicContact CB-CB 3.94Å; L161-M184 WeakPolarHBondContact O-CE 3.19Å; L161-I189 HydrophobicContact CB-CD1 4.4Å; L161-I189 HydrophobicContact CD1-CD1 4.14Å; L161-I189 HydrophobicContact CD1-CG1 4.24Å; L161-I189 HydrophobicContact CD1-CG2 3.82Å; L161-V243 HydrophobicContact CD2-CG2 3.88Å | ||
| 162 | H | 89.6 | Confident | 93.4 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 61% | 0.611 | 24% | 0.238 | S | C | * | . | trans | -107.7 | -32.6 | -170.9 | -62.2 | -50.7 | 0 | 0 | 0 | 114.2 | S159 D166 | S159-H162 VanDerWaalsContact C-CE1 3.42Å; S159-H162 PolarHBondContact O-CE1 3.04Å; S159-H162 PolarHBondContact O-NE2 3.46Å; H162-D166 PolarHBondContact N-OD2 3.18Å | ||
| 163 | R | 88.2 | Confident | 93.3 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -118.9 | 153.3 | -172.6 | -55.8 | 179 | -173.2 | -152.8 | -1.7 | 111 | G165 D166 M184 E447 | R163-G165 PolarHBondContact O-N 3.31Å; R163-D166 WeakPolarHBondContact CB-OD2 3.21Å; R163-D166 PolarHBondContact N-OD2 3.46Å; R163-D166 VanDerWaalsContact O-CB 3.23Å; R163-D166 WeakPolarHBondContact O-CB 3.48Å; R163-D166 VanDerWaalsContact O-CG 3.28Å; R163-D166 PolarHBondContact O-N 3.46Å; R163-M184 WeakPolarHBondContact O-CB 3.46Å; R163-M184 WeakPolarHBondContact O-CG 3.08Å; R163-E447 IonicContact CZ-OE1 3.07Å; R163-E447 IonicContact NH1-OE1 2.72Å; R163-E447 PolarHBondContact NH1-OE1 2.83Å; R163-E447 IonicContact NH2-OE1 2.66Å; R163-E447 PolarHBondContact NH2-OE1 2.89Å |
| 164 | N | 90.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 129.7 | 172 | -78.8 | -10.1 | 0 | 0 | 0 | 111.3 | D166 M184 W185 A186 R241 | N164-D166 VanDerWaalsContact C-N 3.27Å; N164-D166 PolarHBondContact O-N 3.22Å; N164-M184 CarbonylContact C-O 3.56Å; N164-M184 WeakPolarHBondContact CA-O 3.48Å; N164-W185 HydrophobicContact CB-CE3 4.06Å; N164-W185 HydrophobicContact CB-CZ3 4.12Å; N164-W185 WeakPolarHBondContact OD1-CA 3.01Å; N164-A186 PolarHBondContact OD1-N 2.7Å; N164-R241 PolarHBondContact O-NH2 2.86Å; N164-R241 VanDerWaalsContact O-NH2 3.09Å |
| 165 | G | 91.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R163 M184 Q238 I240 R241 | R163-G165 PolarHBondContact O-N 3.31Å; G165-M184 PolarHBondContact N-O 2.85Å; G165-Q238 VanDerWaalsContact CA-O 3.23Å; G165-Q238 WeakPolarHBondContact CA-O 3.38Å; G165-I240 WeakPolarHBondContact O-CA 3.49Å; G165-I240 PolarHBondContact O-N 3.23Å; G165-R241 PolarHBondContact O-N 3.06Å |
| 166 | D | 94.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.9 | 163.7 | -68.9 | -5 | 0 | 0 | 0 | 108.6 | L161 H162 R163 N164 V183 M184 R241 V243 | L161-D166 HydrophobicContact CD2-CB 4.08Å; H162-D166 PolarHBondContact N-OD2 3.18Å; R163-D166 WeakPolarHBondContact CB-OD2 3.21Å; R163-D166 PolarHBondContact N-OD2 3.46Å; R163-D166 VanDerWaalsContact O-CB 3.23Å; R163-D166 WeakPolarHBondContact O-CB 3.48Å; R163-D166 VanDerWaalsContact O-CG 3.28Å; R163-D166 PolarHBondContact O-N 3.46Å; N164-D166 VanDerWaalsContact C-N 3.27Å; N164-D166 PolarHBondContact O-N 3.22Å; D166-V183 WeakPolarHBondContact O-CA 3.4Å; D166-M184 PolarHBondContact O-N 2.83Å; D166-R241 CarbonylContact C-O 3.58Å; D166-R241 VanDerWaalsContact CA-O 3.31Å; D166-R241 WeakPolarHBondContact CA-O 2.87Å; D166-R241 IonicContact OD1-CZ 2.88Å; D166-R241 VanDerWaalsContact OD1-CZ 3.29Å; D166-R241 IonicContact OD1-NE 2.71Å; D166-R241 PolarHBondContact OD1-NE 3.31Å; D166-R241 IonicContact OD1-NH2 3.49Å; D166-R241 PolarHBondContact OD1-NH2 2.96Å; D166-V243 HydrophobicContact CB-CG2 3.86Å |
| 167 | Y | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.4 | -178.7 | 68.4 | -91.8 | 0 | 0 | 0 | 113.6 | Y146 L181 Y182 V224 F239 R241 P242 V243 | Y146-Y167 HydrophobicContact CD2-CD2 4.25Å; Y146-Y167 AromaticContact CD2-CE2 3.96Å; Y146-Y167 HydrophobicContact CD2-CE2 3.96Å; Y146-Y167 HydrophobicContact CE2-CD2 4.46Å; Y146-Y167 AromaticContact CE2-CE2 3.98Å; Y146-Y167 HydrophobicContact CE2-CE2 3.98Å; Y146-Y167 HydrophobicContact CG-CE2 4.45Å; Y167-L181 HydrophobicContact CD2-CD2 3.97Å; Y167-Y182 CarbonylContact C-O 3.59Å; Y167-Y182 WeakPolarHBondContact CA-O 3.34Å; Y167-Y182 WeakPolarHBondContact CB-O 3.43Å; Y167-V224 HydrophobicContact CD2-CG1 4.02Å; Y167-V224 HydrophobicContact CE1-CG1 4.21Å; Y167-V224 HydrophobicContact CE2-CG1 3.52Å; Y167-F239 HydrophobicContact CD1-CB 3.94Å; Y167-F239 AromaticContact CD1-CD1 3.76Å; Y167-F239 HydrophobicContact CD1-CD1 3.76Å; Y167-F239 HydrophobicContact CD1-CG 4.36Å; Y167-F239 HydrophobicContact CD2-CD1 4.11Å; Y167-F239 HydrophobicContact CE1-CB 4.03Å; Y167-F239 HydrophobicContact CE1-CD1 4.37Å; Y167-F239 AromaticContact CG-CD1 3.61Å; Y167-F239 HydrophobicContact CG-CD1 3.61Å; Y167-F239 HydrophobicContact CG-CE1 4.32Å; Y167-R241 VanDerWaalsContact CD1-C 3.45Å; Y167-R241 VanDerWaalsContact CD1-O 3.23Å; Y167-R241 WeakPolarHBondContact CD1-O 3.39Å; Y167-R241 PolarHBondContact N-O 2.87Å; Y167-P242 HydrophobicContact CD2-CB 4.43Å; Y167-P242 HydrophobicContact CE1-CB 4.22Å; Y167-P242 VanDerWaalsContact CE1-N 3.29Å; Y167-P242 HydrophobicContact CE2-CB 3.69Å; Y167-P242 CarbonylContact O-C 3.58Å; Y167-P242 WeakPolarHBondContact O-CA 3.48Å; Y167-V243 PolarHBondContact O-N 3.49Å |
| 168 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 160.9 | 173.9 | 61.8 | 80 | 0 | 0 | 0 | 111.2 | L152 L160 L161 T170 L181 Y182 | L152-L168 HydrophobicContact CD2-CD1 3.58Å; L152-L168 HydrophobicContact CD2-CD2 3.84Å; L152-L168 HydrophobicContact CD2-CG 4.4Å; L160-L168 HydrophobicContact CB-CD2 4.08Å; L160-L168 HydrophobicContact CD1-CD2 3.99Å; L161-L168 HydrophobicContact CD1-CD2 4.12Å; L161-L168 HydrophobicContact CD1-CG 4.21Å; L161-L168 HydrophobicContact CD2-CD2 3.93Å; L161-L168 HydrophobicContact CD2-CG 4.03Å; L161-L168 HydrophobicContact CG-CD2 3.85Å; L161-L168 HydrophobicContact CG-CG 4.28Å; L168-T170 HydrophobicContact CD1-CG2 3.69Å; L168-L181 WeakPolarHBondContact O-CA 3.47Å; L168-Y182 HydrophobicContact CD1-CD2 3.85Å; L168-Y182 HydrophobicContact CD1-CG 4.27Å; L168-Y182 PolarHBondContact N-O 3.37Å; L168-Y182 PolarHBondContact O-N 3.25Å |
| 169 | L | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.4 | -178.9 | -177.7 | 70.5 | 0 | 0 | 0 | 111.1 | I141 W144 Y146 F147 H148 L179 L181 L220 | I141-L169 HydrophobicContact CG2-CD2 3.7Å; W144-L169 HydrophobicContact CE3-CD2 3.75Å; W144-L169 HydrophobicContact CZ3-CD2 3.85Å; Y146-L169 HydrophobicContact CD2-CB 3.87Å; Y146-L169 HydrophobicContact CE2-CB 3.87Å; Y146-L169 HydrophobicContact CE2-CD2 4.37Å; Y146-L169 PolarHBondContact O-N 2.59Å; F147-L169 WeakPolarHBondContact CA-O 3.49Å; F147-L169 HydrophobicContact CD2-CB 4.37Å; F147-L169 HydrophobicContact CD2-CD2 4.01Å; F147-L169 HydrophobicContact CD2-CG 3.98Å; H148-L169 PolarHBondContact N-O 3.11Å; L169-L179 HydrophobicContact CD1-CB 4.25Å; L169-L181 HydrophobicContact CB-CD2 4.1Å; L169-L181 HydrophobicContact CD1-CD2 4.01Å; L169-L181 HydrophobicContact CD1-CG 3.85Å; L169-L220 HydrophobicContact CD1-CD2 3.76Å; L169-L220 HydrophobicContact CD2-CD2 4.37Å |
| 170 | T | 95.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 171.9 | 170.7 | 84.1 | 0 | 0 | 0 | 0 | 110.5 | G149 L152 L168 L179 T180 Y182 | G149-T170 VanDerWaalsContact O-CA 3.26Å; G149-T170 WeakPolarHBondContact O-CA 3.49Å; G149-T170 WeakPolarHBondContact O-CB 3.16Å; L152-T170 HydrophobicContact CB-CG2 3.75Å; L152-T170 HydrophobicContact CD2-CG2 4.02Å; L168-T170 HydrophobicContact CD1-CG2 3.69Å; T170-L179 WeakPolarHBondContact O-CA 3.42Å; T170-T180 PolarHBondContact N-O 3.38Å; T170-T180 PolarHBondContact O-N 3.28Å; T170-Y182 HydrophobicContact CG2-CD2 3.88Å; T170-Y182 HydrophobicContact CG2-CE2 3.85Å |
| 171 | G | 94.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 117.8 | -171.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | F147 G149 P150 P173 T178 | F147-G171 VanDerWaalsContact CE2-O 3.31Å; F147-G171 WeakPolarHBondContact CE2-O 3.49Å; F147-G171 VanDerWaalsContact CZ-O 3.22Å; F147-G171 WeakPolarHBondContact CZ-O 3.01Å; G149-G171 PolarHBondContact O-N 2.91Å; G149-G171 VanDerWaalsContact O-N 3.09Å; P150-G171 VanDerWaalsContact CA-O 3.31Å; P150-G171 WeakPolarHBondContact CA-O 3.43Å; G171-P173 WeakPolarHBondContact O-CD 3.45Å; G171-T178 WeakPolarHBondContact CA-O 3.15Å |
| 172 | M | 93 | Very high | 91.9 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | trans | -90 | 118.8 | -179.4 | -62.2 | -63.8 | -68.2 | 0 | 0 | 110.3 | P150 G174 E175 T178 | P150-M172 HydrophobicContact CB-SD 3.52Å; P150-M172 VanDerWaalsContact CB-SD 3.52Å; M172-G174 PolarHBondContact O-N 2.84Å; M172-E175 HydrophobicContact CB-CB 4.2Å; M172-E175 PolarHBondContact O-N 2.77Å; M172-T178 WeakPolarHBondContact CA-OG1 3.11Å; M172-T178 WeakPolarHBondContact CB-OG1 3.44Å; M172-T178 PolarHBondContact N-OG1 2.76Å; M172-T178 PolarHBondContact O-OG1 3.44Å | ||
| 173 | P | 88.2 | Confident | 92.3 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.5 | -175.8 | -26.4 | 29.5 | 0 | 0 | 0 | 115.7 | I141 D142 F147 G171 | I141-P173 HydrophobicContact CB-CB 4.11Å; I141-P173 HydrophobicContact CG2-CB 4.5Å; D142-P173 WeakPolarHBondContact OD1-CG 3.44Å; D142-P173 WeakPolarHBondContact OD2-CG 3.39Å; F147-P173 HydrophobicContact CE1-CG 4.13Å; F147-P173 HydrophobicContact CZ-CG 3.85Å; G171-P173 WeakPolarHBondContact O-CD 3.45Å |
| 174 | G | 84.1 | Confident | 92.6 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 79% | 0.794 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M172 | M172-G174 PolarHBondContact O-N 2.84Š|
| 175 | E | 87.1 | Confident | 92.7 | Very high | 109 Ų | 109 | 29.7 Ų | 29.7 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | trans | -124.3 | 90.6 | -174.1 | -63.6 | -179.5 | -163.8 | 0 | 0 | 109.4 | M172 S177 T178 | M172-E175 HydrophobicContact CB-CB 4.2Å; M172-E175 PolarHBondContact O-N 2.77Å; E175-S177 PolarHBondContact O-N 3.45Å; E175-T178 HydrophobicContact CB-CG2 3.76Å; E175-T178 WeakPolarHBondContact O-CB 3.43Å; E175-T178 PolarHBondContact O-N 2.58Å; E175-T178 PolarHBondContact O-OG1 3.1Å; E175-T178 WeakPolarHBondContact OE2-CG2 3.43Å | ||
| 176 | S | 84.6 | Confident | 92.4 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -55.5 | -28.5 | -174.1 | 58.8 | 0 | 0 | 0 | 0 | 114 | T178 L179 | S176-T178 PolarHBondContact O-N 3.17Å; S176-L179 PolarHBondContact O-N 3.4Å |
| 177 | S | 85.5 | Confident | 92.1 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 76% | 0.762 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -70.4 | -14.6 | 176.5 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | E175 | E175-S177 PolarHBondContact O-N 3.45Š|
| 178 | T | 90.5 | Very high | 91.9 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -98.1 | -9.8 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | G171 M172 E175 S176 T180 | G171-T178 WeakPolarHBondContact CA-O 3.15Å; M172-T178 WeakPolarHBondContact CA-OG1 3.11Å; M172-T178 WeakPolarHBondContact CB-OG1 3.44Å; M172-T178 PolarHBondContact N-OG1 2.76Å; M172-T178 PolarHBondContact O-OG1 3.44Å; E175-T178 HydrophobicContact CB-CG2 3.76Å; E175-T178 WeakPolarHBondContact O-CB 3.43Å; E175-T178 PolarHBondContact O-N 2.58Å; E175-T178 PolarHBondContact O-OG1 3.1Å; E175-T178 WeakPolarHBondContact OE2-CG2 3.43Å; S176-T178 PolarHBondContact O-N 3.17Å; T178-T180 PolarHBondContact O-N 2.78Å |
| 179 | L | 94.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | trans | -75.7 | 118.9 | -177.8 | -66.6 | 178.4 | 0 | 0 | 0 | 109.7 | I141 L169 T170 S176 N193 L220 | I141-L179 HydrophobicContact CD1-CD1 3.53Å; I141-L179 HydrophobicContact CD1-CD2 4.35Å; L169-L179 HydrophobicContact CD1-CB 4.25Å; T170-L179 WeakPolarHBondContact O-CA 3.42Å; S176-L179 PolarHBondContact O-N 3.4Å; L179-N193 PolarHBondContact O-OD1 3.24Å; L179-L220 HydrophobicContact CB-CD2 4.46Å; L179-L220 HydrophobicContact CD1-CD2 4.28Å | ||
| 180 | T | 95.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.3 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | T170 T178 Y182 E191 N193 | T170-T180 PolarHBondContact N-O 3.38Å; T170-T180 PolarHBondContact O-N 3.28Å; T178-T180 PolarHBondContact O-N 2.78Å; T180-Y182 HydrophobicContact CG2-CD2 4.24Å; T180-Y182 HydrophobicContact CG2-CE1 4.5Å; T180-Y182 HydrophobicContact CG2-CE2 3.77Å; T180-E191 HydrophobicContact CG2-CB 3.92Å; T180-E191 HydrophobicContact CG2-CG 3.86Å; T180-N193 WeakPolarHBondContact CA-OD1 3.33Å; T180-N193 PolarHBondContact OG1-OD1 3.06Å |
| 181 | L | 96.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.5 | 166.2 | -74.5 | 149.7 | 0 | 0 | 0 | 109.4 | Y146 Y167 L168 L169 E191 V192 F194 L220 V224 F239 | Y146-L181 HydrophobicContact CE2-CD2 4.38Å; Y167-L181 HydrophobicContact CD2-CD2 3.97Å; L168-L181 WeakPolarHBondContact O-CA 3.47Å; L169-L181 HydrophobicContact CB-CD2 4.1Å; L169-L181 HydrophobicContact CD1-CD2 4.01Å; L169-L181 HydrophobicContact CD1-CG 3.85Å; L181-E191 CarbonylContact O-C 3.57Å; L181-E191 WeakPolarHBondContact O-CA 3.47Å; L181-V192 HydrophobicContact CB-CB 4.47Å; L181-V192 WeakPolarHBondContact CB-O 3.32Å; L181-V192 PolarHBondContact N-O 3.09Å; L181-V192 PolarHBondContact O-N 2.89Å; L181-F194 HydrophobicContact CD1-CD2 3.66Å; L181-F194 HydrophobicContact CD1-CE2 3.46Å; L181-F194 VanDerWaalsContact CD1-CE2 3.46Å; L181-L220 HydrophobicContact CD1-CD1 4.2Å; L181-L220 HydrophobicContact CD1-CD2 4.31Å; L181-L220 HydrophobicContact CD1-CG 4.42Å; L181-V224 HydrophobicContact CD1-CG2 3.36Å; L181-V224 HydrophobicContact CD2-CG2 4.32Å; L181-V224 HydrophobicContact CG-CG2 4.49Å; L181-F239 HydrophobicContact CB-CE1 4.09Å; L181-F239 HydrophobicContact CD1-CE1 4.21Å; L181-F239 HydrophobicContact CD2-CE1 4.44Å; L181-F239 HydrophobicContact CG-CE1 4.48Å |
| 182 | Y | 97.5 | Very high | 91.8 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.1 | 167.8 | -69.1 | -86.9 | 0 | 0 | 0 | 108.7 | R157 Y167 L168 T170 T180 I189 H190 E191 | R157-Y182 PolarHBondContact NH1-OH 3.26Å; Y167-Y182 CarbonylContact C-O 3.59Å; Y167-Y182 WeakPolarHBondContact CA-O 3.34Å; Y167-Y182 WeakPolarHBondContact CB-O 3.43Å; L168-Y182 HydrophobicContact CD1-CD2 3.85Å; L168-Y182 HydrophobicContact CD1-CG 4.27Å; L168-Y182 PolarHBondContact N-O 3.37Å; L168-Y182 PolarHBondContact O-N 3.25Å; T170-Y182 HydrophobicContact CG2-CD2 3.88Å; T170-Y182 HydrophobicContact CG2-CE2 3.85Å; T180-Y182 HydrophobicContact CG2-CD2 4.24Å; T180-Y182 HydrophobicContact CG2-CE1 4.5Å; T180-Y182 HydrophobicContact CG2-CE2 3.77Å; Y182-I189 HydrophobicContact CD1-CG2 3.76Å; Y182-I189 HydrophobicContact CG-CG2 4.39Å; Y182-H190 WeakPolarHBondContact CA-O 3.45Å; Y182-E191 HydrophobicContact CD1-CG 3.76Å; Y182-E191 HydrophobicContact CE1-CG 3.24Å; Y182-E191 WeakPolarHBondContact CE1-OE1 3.5Å; Y182-E191 VanDerWaalsContact CZ-OE1 3.28Å; Y182-E191 PolarHBondContact OH-OE1 3.32Å |
| 183 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.1 | 178.3 | 62 | 0 | 0 | 0 | 0 | 110.3 | D166 I189 H190 V192 Y237 F239 | D166-V183 WeakPolarHBondContact O-CA 3.4Å; V183-I189 WeakPolarHBondContact O-CA 3.45Å; V183-H190 HydrophobicContact CG1-CB 4.08Å; V183-H190 PolarHBondContact N-O 3.39Å; V183-H190 PolarHBondContact O-N 3.1Å; V183-V192 HydrophobicContact CG1-CG2 3.94Å; V183-Y237 HydrophobicContact CG1-CD2 4.26Å; V183-Y237 HydrophobicContact CG1-CG 4.01Å; V183-F239 HydrophobicContact CB-CE1 4.28Å |
| 184 | M | 95 | Very high | 91.9 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.5 | 169.3 | 173 | 62.6 | 78.2 | 0 | 0 | 109.4 | L161 R163 N164 G165 D166 S188 I189 | L161-M184 HydrophobicContact CB-CB 3.94Å; L161-M184 WeakPolarHBondContact O-CE 3.19Å; R163-M184 WeakPolarHBondContact O-CB 3.46Å; R163-M184 WeakPolarHBondContact O-CG 3.08Å; N164-M184 CarbonylContact C-O 3.56Å; N164-M184 WeakPolarHBondContact CA-O 3.48Å; G165-M184 PolarHBondContact N-O 2.85Å; D166-M184 PolarHBondContact O-N 2.83Å; M184-S188 PolarHBondContact SD-N 3.11Å; M184-S188 VanDerWaalsContact SD-N 3.43Å; M184-I189 HydrophobicContact CE-CD1 4.4Å; M184-I189 HydrophobicContact CE-CG1 3.82Å; M184-I189 HydrophobicContact SD-CG1 4.49Å |
| 185 | W | 91.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 127.2 | 176.3 | -161.5 | -101.7 | 0 | 0 | 0 | 110.6 | N164 D187 S188 H190 Y237 Q238 W424 Q471 N474 | N164-W185 HydrophobicContact CB-CE3 4.06Å; N164-W185 HydrophobicContact CB-CZ3 4.12Å; N164-W185 WeakPolarHBondContact OD1-CA 3.01Å; W185-D187 PolarHBondContact O-N 3.12Å; W185-S188 PolarHBondContact N-O 3.49Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.17Å; W185-S188 VanDerWaalsContact O-O 3.06Å; W185-H190 PolarHBondContact O-NE2 2.7Å; W185-Y237 HydrophobicContact CB-CD1 3.81Å; W185-Y237 HydrophobicContact CB-CE1 4.5Å; W185-Y237 AromaticContact CD1-CD1 3.83Å; W185-Y237 AromaticContact CG-CD1 3.83Å; W185-Y237 HydrophobicContact CG-CD1 3.83Å; W185-Q238 HydrophobicContact CE3-CB 4.42Å; W185-Q238 HydrophobicContact CH2-CB 3.54Å; W185-Q238 VanDerWaalsContact CH2-OE1 3.29Å; W185-Q238 HydrophobicContact CZ2-CB 4.4Å; W185-Q238 HydrophobicContact CZ3-CB 3.54Å; W185-W424 HydrophobicContact CZ2-CZ2 4.32Å; W185-Q471 HydrophobicContact CH2-CG 4.46Å; W185-N474 WeakPolarHBondContact CZ2-O 3.33Å; W185-N474 PolarHBondContact NE1-O 3.26Å |
| 186 | A | 86.8 | Confident | 92.1 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 53.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N164 S188 N474 | N164-A186 PolarHBondContact OD1-N 2.7Å; A186-S188 PolarHBondContact O-N 3.06Å; A186-S188 VanDerWaalsContact O-N 3.12Å; A186-N474 HydrophobicContact CB-CB 4.05Å |
| 187 | D | 87.8 | Confident | 91.7 | Very high | 154 Ų | 154 | 54.8 Ų | 54.8 | 82% | 0.824 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.7 | 178.7 | -52.7 | -43.4 | 0 | 0 | 0 | 114.7 | W185 | W185-D187 PolarHBondContact O-N 3.12Š|
| 188 | S | 92.8 | Very high | 90.9 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.6 | -179.7 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | M184 W185 A186 H190 | M184-S188 PolarHBondContact SD-N 3.11Å; M184-S188 VanDerWaalsContact SD-N 3.43Å; W185-S188 PolarHBondContact N-O 3.49Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.17Å; W185-S188 VanDerWaalsContact O-O 3.06Å; A186-S188 PolarHBondContact O-N 3.06Å; A186-S188 VanDerWaalsContact O-N 3.12Å; S188-H190 PolarHBondContact O-CD2 3.35Å |
| 189 | I | 95.9 | Very high | 89.8 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.7 | 178.1 | -59.1 | 174.5 | 0 | 0 | 0 | 109.2 | R157 E158 L161 Y182 V183 M184 | R157-I189 HydrophobicContact CB-CD1 4.07Å; E158-I189 HydrophobicContact CB-CD1 4.38Å; E158-I189 HydrophobicContact CG-CD1 3.73Å; L161-I189 HydrophobicContact CB-CD1 4.4Å; L161-I189 HydrophobicContact CD1-CD1 4.14Å; L161-I189 HydrophobicContact CD1-CG1 4.24Å; L161-I189 HydrophobicContact CD1-CG2 3.82Å; Y182-I189 HydrophobicContact CD1-CG2 3.76Å; Y182-I189 HydrophobicContact CG-CG2 4.39Å; V183-I189 WeakPolarHBondContact O-CA 3.45Å; M184-I189 HydrophobicContact CE-CD1 4.4Å; M184-I189 HydrophobicContact CE-CG1 3.82Å; M184-I189 HydrophobicContact SD-CG1 4.49Å |
| 190 | H | 95.1 | Very high | 88.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.2 | -178.3 | -61.3 | -78 | 0 | 0 | 0 | 112.1 | Y182 V183 W185 S188 Y237 | Y182-H190 WeakPolarHBondContact CA-O 3.45Å; V183-H190 HydrophobicContact CG1-CB 4.08Å; V183-H190 PolarHBondContact N-O 3.39Å; V183-H190 PolarHBondContact O-N 3.1Å; W185-H190 PolarHBondContact O-NE2 2.7Å; S188-H190 PolarHBondContact O-CD2 3.35Å; H190-Y237 HydrophobicContact CB-CD1 4.35Å; H190-Y237 HydrophobicContact CB-CD2 4.12Å; H190-Y237 HydrophobicContact CB-CE1 3.97Å; H190-Y237 HydrophobicContact CB-CE2 3.7Å; H190-Y237 HydrophobicContact CB-CG 4.42Å; H190-Y237 AromaticContact CD2-CD1 3.86Å; H190-Y237 AromaticContact CD2-CE1 3.39Å; H190-Y237 WeakPolarHBondContact CD2-CE1 3.47Å; H190-Y237 AromaticContact CD2-CZ 3.87Å; H190-Y237 AromaticContact CE1-CE1 3.89Å; H190-Y237 AromaticContact CG-CE1 3.42Å; H190-Y237 VanDerWaalsContact CG-CE1 3.42Å; H190-Y237 AromaticContact CG-CZ 3.37Å; H190-Y237 AromaticContact ND1-CE1 3.76Å; H190-Y237 AromaticContact ND1-CZ 3.51Å; H190-Y237 PolarHBondContact ND1-OH 3.02Å; H190-Y237 VanDerWaalsContact ND1-OH 3.09Å; H190-Y237 AromaticContact NE2-CE1 3.66Å |
| 191 | E | 95.3 | Very high | 88.3 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.9 | 174.4 | -69.5 | -175 | 179.4 | 0 | 0 | 110.5 | T180 L181 Y182 | T180-E191 HydrophobicContact CG2-CB 3.92Å; T180-E191 HydrophobicContact CG2-CG 3.86Å; L181-E191 CarbonylContact O-C 3.57Å; L181-E191 WeakPolarHBondContact O-CA 3.47Å; Y182-E191 HydrophobicContact CD1-CG 3.76Å; Y182-E191 HydrophobicContact CE1-CG 3.24Å; Y182-E191 WeakPolarHBondContact CE1-OE1 3.5Å; Y182-E191 VanDerWaalsContact CZ-OE1 3.28Å; Y182-E191 PolarHBondContact OH-OE1 3.32Å |
| 192 | V | 94.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.6 | 178 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | L181 V183 F194 A234 Y237 F239 | L181-V192 HydrophobicContact CB-CB 4.47Å; L181-V192 WeakPolarHBondContact CB-O 3.32Å; L181-V192 PolarHBondContact N-O 3.09Å; L181-V192 PolarHBondContact O-N 2.89Å; V183-V192 HydrophobicContact CG1-CG2 3.94Å; V192-F194 HydrophobicContact CG1-CD2 4.34Å; V192-F194 HydrophobicContact CG1-CE1 4.48Å; V192-F194 HydrophobicContact CG1-CE2 3.66Å; V192-F194 HydrophobicContact CG1-CZ 3.77Å; V192-A234 HydrophobicContact CG1-CB 4.29Å; V192-Y237 HydrophobicContact CG2-CD2 3.64Å; V192-Y237 HydrophobicContact CG2-CE2 4.23Å; V192-F239 HydrophobicContact CB-CZ 4.05Å; V192-F239 HydrophobicContact CG1-CZ 4.11Å; V192-F239 HydrophobicContact CG2-CZ 4.09Å |
| 193 | N | 92.4 | Very high | 87.6 | Confident | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | trans | -110.9 | 143.3 | 177.6 | -59.2 | -40.3 | 0 | 0 | 0 | 109.5 | L179 T180 | L179-N193 PolarHBondContact O-OD1 3.24Å; T180-N193 WeakPolarHBondContact CA-OD1 3.33Å; T180-N193 PolarHBondContact OG1-OD1 3.06Å | ||
| 194 | F | 91.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | trans | -122.2 | 127.6 | 177.4 | -66.9 | -84.1 | 0 | 0 | 0 | 110.2 | L181 V192 Y203 L220 L223 V224 L227 A234 F239 | L181-F194 HydrophobicContact CD1-CD2 3.66Å; L181-F194 HydrophobicContact CD1-CE2 3.46Å; L181-F194 VanDerWaalsContact CD1-CE2 3.46Å; V192-F194 HydrophobicContact CG1-CD2 4.34Å; V192-F194 HydrophobicContact CG1-CE1 4.48Å; V192-F194 HydrophobicContact CG1-CE2 3.66Å; V192-F194 HydrophobicContact CG1-CZ 3.77Å; F194-Y203 HydrophobicContact CB-CD1 4.09Å; F194-Y203 HydrophobicContact CB-CE1 4Å; F194-L220 HydrophobicContact CB-CD1 3.89Å; F194-L220 HydrophobicContact CD2-CD1 3.72Å; F194-L220 HydrophobicContact CG-CD1 4.06Å; F194-L223 HydrophobicContact CB-CD2 3.89Å; F194-L223 HydrophobicContact CD1-CD2 3.29Å; F194-L223 HydrophobicContact CD1-CG 4.43Å; F194-L223 HydrophobicContact CD2-CD2 4.2Å; F194-L223 HydrophobicContact CE1-CD2 3.72Å; F194-L223 HydrophobicContact CE1-CG 4.45Å; F194-L223 HydrophobicContact CG-CD2 3.53Å; F194-L223 HydrophobicContact CZ-CD2 4.33Å; F194-V224 HydrophobicContact CE2-CG2 4.31Å; F194-L227 HydrophobicContact CE1-CD1 3.86Å; F194-L227 HydrophobicContact CZ-CD1 3.62Å; F194-A234 HydrophobicContact CE1-CB 3.58Å; F194-A234 HydrophobicContact CZ-CB 3.43Å; F194-A234 VanDerWaalsContact CZ-CB 3.43Å; F194-F239 HydrophobicContact CE2-CZ 4.22Å; F194-F239 HydrophobicContact CZ-CE2 4.23Å; F194-F239 HydrophobicContact CZ-CZ 4.32Å | ||
| 195 | E | 87.4 | Confident | 87 | Confident | 182 Ų | 182 | 63.2 Ų | 63.2 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | trans | -86.4 | 141 | 175.8 | -63.3 | -176.2 | 173.3 | 0 | 0 | 110.4 | ||||
| 196 | Q | 87.9 | Confident | 86.4 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | trans | -75.6 | 144.9 | 167.8 | -71.7 | -177.6 | -5.3 | 0 | 0 | 109.7 | G201 Y203 | Q196-G201 WeakPolarHBondContact CG-O 3.11Å; Q196-G201 PolarHBondContact NE2-O 2.99Å; Q196-G201 VanDerWaalsContact OE1-CA 3.28Å; Q196-G201 PolarHBondContact OE1-O 3.4Å; Q196-Y203 HydrophobicContact CG-CD1 4.29Å; Q196-Y203 HydrophobicContact CG-CD2 4.42Å; Q196-Y203 HydrophobicContact CG-CE1 3.67Å; Q196-Y203 HydrophobicContact CG-CE2 3.8Å; Q196-Y203 WeakPolarHBondContact CG-OH 3.45Å; Q196-Y203 PolarHBondContact NE2-OH 3.26Å | ||
| 197 | D | 76.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -117.1 | 145.1 | -179.4 | -173.3 | 10.6 | 0 | 0 | 0 | 111.2 | S202 K214 | D197-S202 WeakPolarHBondContact CA-O 3.31Å; D197-S202 PolarHBondContact N-O 2.97Å; D197-S202 PolarHBondContact O-N 3.26Å; D197-S202 VanDerWaalsContact O-O 3.09Å; D197-S202 PolarHBondContact O-OG 2.81Å; D197-K214 IonicContact OD1-NZ 3.29Å; D197-K214 WeakPolarHBondContact OD2-CE 3.43Å; D197-K214 IonicContact OD2-NZ 3.48Å; D197-K214 PolarHBondContact OD2-NZ 2.92Å |
| 198 | G | 68.7 | Low | 84.3 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L200 G201 | G198-L200 PolarHBondContact O-N 2.84Å; G198-L200 VanDerWaalsContact O-N 3.17Å; G198-G201 PolarHBondContact O-N 2.7Å |
| 199 | P | 66.1 | Low | 82.9 | Confident | 123 Ų | 123 | 63.1 Ų | 63.1 | 80% | 0.799 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.9 | -171.1 | 26.7 | -33.8 | 0 | 0 | 0 | 114.7 | ||
| 200 | L | 76.2 | Confident | 81 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.4 | -177.9 | -67.5 | 172.6 | 0 | 0 | 0 | 113.2 | G198 S202 Y325 | G198-L200 PolarHBondContact O-N 2.84Å; G198-L200 VanDerWaalsContact O-N 3.17Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-Y325 HydrophobicContact CD1-CD1 4.15Å; L200-Y325 HydrophobicContact CD1-CG 4.22Å |
| 201 | G | 82.3 | Confident | 79.6 | Confident | 17 Ų | 17 | 78 Ų | 78 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 33.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q196 G198 | Q196-G201 WeakPolarHBondContact CG-O 3.11Å; Q196-G201 PolarHBondContact NE2-O 2.99Å; Q196-G201 VanDerWaalsContact OE1-CA 3.28Å; Q196-G201 PolarHBondContact OE1-O 3.4Å; G198-G201 PolarHBondContact O-N 2.7Å |
| 202 | S | 89.2 | Confident | 78.6 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 16% | 0.161 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -88.4 | 151.2 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | D197 L200 | D197-S202 WeakPolarHBondContact CA-O 3.31Å; D197-S202 PolarHBondContact N-O 2.97Å; D197-S202 PolarHBondContact O-N 3.26Å; D197-S202 VanDerWaalsContact O-O 3.09Å; D197-S202 PolarHBondContact O-OG 2.81Å; L200-S202 VanDerWaalsContact C-N 3.34Å |
| 203 | Y | 91.8 | Very high | 78.1 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136 | 173.8 | -64.2 | -88.1 | 0 | 0 | 0 | 110.6 | F194 Q196 T216 V217 T219 L220 L223 | F194-Y203 HydrophobicContact CB-CD1 4.09Å; F194-Y203 HydrophobicContact CB-CE1 4Å; Q196-Y203 HydrophobicContact CG-CD1 4.29Å; Q196-Y203 HydrophobicContact CG-CD2 4.42Å; Q196-Y203 HydrophobicContact CG-CE1 3.67Å; Q196-Y203 HydrophobicContact CG-CE2 3.8Å; Q196-Y203 WeakPolarHBondContact CG-OH 3.45Å; Q196-Y203 PolarHBondContact NE2-OH 3.26Å; Y203-T216 CarbonylContact O-C 3.52Å; Y203-T216 WeakPolarHBondContact O-CA 3.22Å; Y203-T216 WeakPolarHBondContact O-CB 3.38Å; Y203-V217 PolarHBondContact N-O 3.18Å; Y203-V217 PolarHBondContact O-N 2.98Å; Y203-T219 VanDerWaalsContact CD2-C 3.48Å; Y203-L220 HydrophobicContact CD1-CD1 4.45Å; Y203-L220 HydrophobicContact CE1-CD1 4.06Å; Y203-L220 HydrophobicContact CE2-CB 4.06Å; Y203-L220 VanDerWaalsContact CE2-N 3.33Å; Y203-L223 HydrophobicContact CD1-CD2 3.89Å; Y203-L223 HydrophobicContact CG-CB 4.44Å; Y203-L223 HydrophobicContact CG-CD2 4.14Å |
| 204 | Q | 90.2 | Very high | 78 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.4 | 175 | -178.5 | 174.5 | -20.4 | 0 | 0 | 110.2 | K214 L223 | Q204-K214 HydrophobicContact CG-CG 4.17Å; Q204-L223 WeakPolarHBondContact O-CD1 3.28Å |
| 205 | L | 88.6 | Confident | 78 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 134.3 | 169.9 | -70.3 | -174.1 | 0 | 0 | 0 | 110 | C207 E215 V217 L223 S226 P263 P265 T341 | L205-C207 PolarHBondContact O-N 3.33Å; L205-E215 HydrophobicContact CB-CB 4.27Å; L205-E215 HydrophobicContact CD1-CB 4.23Å; L205-E215 PolarHBondContact N-O 3.45Å; L205-V217 HydrophobicContact CD1-CG1 3.92Å; L205-V217 HydrophobicContact CD2-CB 4.44Å; L205-V217 HydrophobicContact CD2-CG1 3.73Å; L205-V217 HydrophobicContact CD2-CG2 3.83Å; L205-V217 HydrophobicContact CG-CG1 3.79Å; L205-V217 HydrophobicContact CG-CG2 4.39Å; L205-L223 HydrophobicContact CD2-CD1 3.91Å; L205-S226 WeakPolarHBondContact CD2-OG 3.13Å; L205-P263 HydrophobicContact CD1-CG 4.45Å; L205-P265 HydrophobicContact CD1-CG 4.43Å; L205-T341 HydrophobicContact CD1-CG2 3.58Å |
| 206 | R | 78.7 | Confident | 78.3 | Confident | 103 Ų | 103 | 64 Ų | 64 | 39% | 0.389 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -68 | 131 | 171 | -69 | -167.7 | 175.2 | -148.1 | -3.8 | 109.1 | L227 T233 | R206-L227 HydrophobicContact CB-CD2 4Å; R206-L227 HydrophobicContact CG-CD2 4.12Å; R206-T233 WeakPolarHBondContact CD-O 3.15Å; R206-T233 PolarHBondContact NH1-O 3.18Å; R206-T233 VanDerWaalsContact NH1-O 3.11Å |
| 207 | C | 68.6 | Low | 78.5 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | trans | -135.9 | 118.1 | -176.7 | -125.8 | 0 | 0 | 0 | 0 | 107.2 | L205 H209 T212 H267 | L205-C207 PolarHBondContact O-N 3.33Å; C207-H209 PolarHBondContact O-N 2.88Å; C207-H209 VanDerWaalsContact O-N 3.1Å; C207-T212 WeakPolarHBondContact CB-OG1 3.02Å; C207-T212 PolarHBondContact SG-OG1 2.86Å; C207-H267 PolarHBondContact SG-ND1 3.44Å | ||
| 208 | D | 61.8 | Low | 79.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.8 | -1.7 | -171.1 | -55.9 | -22.6 | 0 | 0 | 0 | 112.5 | Q403 | D208-Q403 HydrophobicContact CB-CG 4.41Å; D208-Q403 PolarHBondContact O-NE2 2.97Å; D208-Q403 PolarHBondContact O-OE1 3.05Å |
| 209 | H | 62.2 | Low | 80.3 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | trans | -115.2 | 114.9 | -177.3 | -74.2 | 64 | 0 | 0 | 0 | 111.6 | C207 Y211 T212 H267 R479 | C207-H209 PolarHBondContact O-N 2.88Å; C207-H209 VanDerWaalsContact O-N 3.1Å; H209-Y211 PolarHBondContact O-N 2.93Å; H209-T212 HydrophobicContact CB-CG2 3.68Å; H209-T212 WeakPolarHBondContact O-CB 3.26Å; H209-T212 PolarHBondContact O-N 3Å; H209-T212 PolarHBondContact O-OG1 3.18Å; H209-H267 AromaticContact ND1-CD2 3.73Å; H209-R479 PolarHBondContact CE1-NH1 3.12Å; H209-R479 VanDerWaalsContact CE1-NH1 3.28Å; H209-R479 PolarHBondContact NE2-NH1 3.17Å | ||
| 210 | Y | 56.7 | Low | 81.6 | Confident | 225 Ų | 225 | 54 Ų | 54 | 88% | 0.882 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -29.2 | 177.3 | -69 | -80.6 | 0 | 0 | 0 | 114.5 | ||
| 211 | Y | 64.6 | Low | 82.5 | Confident | 185 Ų | 185 | 49.6 Ų | 49.6 | 73% | 0.725 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.9 | -178.4 | -56 | -74.1 | 0 | 0 | 0 | 113.4 | H209 K295 | H209-Y211 PolarHBondContact O-N 2.93Å; Y211-K295 WeakPolarHBondContact O-CE 3.23Å; Y211-K295 PolarHBondContact O-NZ 3.03Å |
| 212 | T | 74.4 | Confident | 83.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -77.6 | 143.1 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | C207 H209 K214 H267 | C207-T212 WeakPolarHBondContact CB-OG1 3.02Å; C207-T212 PolarHBondContact SG-OG1 2.86Å; H209-T212 HydrophobicContact CB-CG2 3.68Å; H209-T212 WeakPolarHBondContact O-CB 3.26Å; H209-T212 PolarHBondContact O-N 3Å; H209-T212 PolarHBondContact O-OG1 3.18Å; T212-K214 PolarHBondContact O-N 3.11Å; T212-H267 HydrophobicContact CG2-CB 3.87Å |
| 213 | P | 85.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 16% | 0.156 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 136.7 | 173 | 26.7 | -31.6 | 0 | 0 | 0 | 109.5 | E215 L266 F328 | P213-E215 PolarHBondContact O-N 3.11Å; P213-L266 HydrophobicContact CG-CD2 3.64Å; P213-F328 HydrophobicContact CB-CE1 4.01Å; P213-F328 HydrophobicContact CB-CZ 3.91Å; P213-F328 HydrophobicContact CG-CE1 4.01Å; P213-F328 HydrophobicContact CG-CZ 4.02Å |
| 214 | K | 88.6 | Confident | 83.5 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -51.8 | 119.7 | 170.9 | -178.1 | 172.8 | -178.9 | 159.5 | 0 | 111.6 | D197 Q204 T212 K322 | D197-K214 IonicContact OD1-NZ 3.29Å; D197-K214 WeakPolarHBondContact OD2-CE 3.43Å; D197-K214 IonicContact OD2-NZ 3.48Å; D197-K214 PolarHBondContact OD2-NZ 2.92Å; Q204-K214 HydrophobicContact CG-CG 4.17Å; T212-K214 PolarHBondContact O-N 3.11Å; K214-K322 VanDerWaalsContact N-NZ 3.15Å; K214-K322 WeakPolarHBondContact O-CE 3.47Å; K214-K322 PolarHBondContact O-NZ 2.87Å |
| 215 | E | 92.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | trans | -109.5 | 142.6 | 177.2 | -76.4 | 179.6 | 120.9 | 0 | 0 | 109.3 | L205 P213 P265 L266 F328 T341 V342 | L205-E215 HydrophobicContact CB-CB 4.27Å; L205-E215 HydrophobicContact CD1-CB 4.23Å; L205-E215 PolarHBondContact N-O 3.45Å; P213-E215 PolarHBondContact O-N 3.11Å; E215-P265 WeakPolarHBondContact OE2-CA 3.27Å; E215-L266 WeakPolarHBondContact OE2-CB 3.09Å; E215-L266 PolarHBondContact OE2-N 2.8Å; E215-F328 HydrophobicContact CG-CE2 3.7Å; E215-F328 HydrophobicContact CG-CZ 3.7Å; E215-T341 HydrophobicContact CB-CG2 4.25Å; E215-T341 WeakPolarHBondContact OE1-CA 3.4Å; E215-V342 PolarHBondContact OE1-N 2.84Å | ||
| 216 | T | 93 | Very high | 83.9 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.9 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | Y203 G340 | Y203-T216 CarbonylContact O-C 3.52Å; Y203-T216 WeakPolarHBondContact O-CA 3.22Å; Y203-T216 WeakPolarHBondContact O-CB 3.38Å; T216-G340 PolarHBondContact N-O 3.36Å; T216-G340 CarbonylContact O-C 3.6Å; T216-G340 WeakPolarHBondContact O-CA 3.22Å |
| 217 | V | 93 | Very high | 84.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.5 | 176.6 | -69.9 | 0 | 0 | 0 | 0 | 110.5 | Y203 L205 H222 L223 P263 T341 | Y203-V217 PolarHBondContact N-O 3.18Å; Y203-V217 PolarHBondContact O-N 2.98Å; L205-V217 HydrophobicContact CD1-CG1 3.92Å; L205-V217 HydrophobicContact CD2-CB 4.44Å; L205-V217 HydrophobicContact CD2-CG1 3.73Å; L205-V217 HydrophobicContact CD2-CG2 3.83Å; L205-V217 HydrophobicContact CG-CG1 3.79Å; L205-V217 HydrophobicContact CG-CG2 4.39Å; V217-H222 HydrophobicContact CB-CB 3.56Å; V217-H222 HydrophobicContact CG1-CB 4.01Å; V217-H222 HydrophobicContact CG2-CB 3.8Å; V217-L223 HydrophobicContact CG2-CB 3.96Å; V217-P263 HydrophobicContact CG1-CG 3.65Å; V217-T341 HydrophobicContact CG1-CG2 3.99Å |
| 218 | P | 90.3 | Very high | 85.7 | Confident | 79 Ų | 79 | 38.2 Ų | 38.2 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -79.4 | -24.1 | -168.7 | 29.6 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 219 | T | 92 | Very high | 86.9 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -132.3 | 159 | -175.4 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | D139 Y203 D221 H222 L223 | D139-T219 HydrophobicContact CB-CG2 4.46Å; D139-T219 WeakPolarHBondContact OD1-CG2 3.25Å; Y203-T219 VanDerWaalsContact CD2-C 3.48Å; T219-D221 VanDerWaalsContact C-N 3.26Å; T219-D221 PolarHBondContact O-N 3.23Å; T219-D221 PolarHBondContact OG1-N 3.1Å; T219-H222 WeakPolarHBondContact O-CB 3.23Å; T219-H222 PolarHBondContact O-N 2.71Å; T219-H222 PolarHBondContact OG1-N 3.17Å; T219-H222 PolarHBondContact OG1-ND1 3.17Å; T219-L223 PolarHBondContact O-N 2.69Å |
| 220 | L | 93.9 | Very high | 88.1 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 175.2 | -177.3 | 60.6 | 0 | 0 | 0 | 111.8 | W144 L169 L179 L181 F194 Y203 H222 L223 V224 | W144-L220 HydrophobicContact CH2-CB 4.01Å; W144-L220 HydrophobicContact CZ3-CB 4.12Å; L169-L220 HydrophobicContact CD1-CD2 3.76Å; L169-L220 HydrophobicContact CD2-CD2 4.37Å; L179-L220 HydrophobicContact CB-CD2 4.46Å; L179-L220 HydrophobicContact CD1-CD2 4.28Å; L181-L220 HydrophobicContact CD1-CD1 4.2Å; L181-L220 HydrophobicContact CD1-CD2 4.31Å; L181-L220 HydrophobicContact CD1-CG 4.42Å; F194-L220 HydrophobicContact CB-CD1 3.89Å; F194-L220 HydrophobicContact CD2-CD1 3.72Å; F194-L220 HydrophobicContact CG-CD1 4.06Å; Y203-L220 HydrophobicContact CD1-CD1 4.45Å; Y203-L220 HydrophobicContact CE1-CD1 4.06Å; Y203-L220 HydrophobicContact CE2-CB 4.06Å; Y203-L220 VanDerWaalsContact CE2-N 3.33Å; L220-H222 VanDerWaalsContact C-N 3.34Å; L220-H222 PolarHBondContact O-N 3.03Å; L220-L223 HydrophobicContact CD1-CD2 4.2Å; L220-L223 WeakPolarHBondContact O-CB 3.4Å; L220-L223 PolarHBondContact O-N 3.49Å; L220-L223 VanDerWaalsContact O-N 3.15Å; L220-V224 HydrophobicContact CD1-CG2 4.03Å; L220-V224 HydrophobicContact CG-CG2 4.21Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.01Å |
| 221 | D | 95 | Very high | 89.3 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 175 | -178.7 | 59.5 | 0 | 0 | 0 | 112 | L135 E136 W144 Y146 T219 L223 K225 | L135-D221 VanDerWaalsContact CA-OD2 3.24Å; L135-D221 WeakPolarHBondContact CA-OD2 3.2Å; L135-D221 WeakPolarHBondContact CD2-OD2 3.46Å; E136-D221 PolarHBondContact N-OD2 3.49Å; W144-D221 HydrophobicContact CD2-CB 4.37Å; W144-D221 HydrophobicContact CE3-CB 4.2Å; W144-D221 HydrophobicContact CH2-CB 3.54Å; W144-D221 VanDerWaalsContact CH2-N 3.29Å; W144-D221 HydrophobicContact CZ2-CB 3.69Å; W144-D221 HydrophobicContact CZ3-CB 3.81Å; Y146-D221 WeakPolarHBondContact CE1-OD1 3.42Å; Y146-D221 WeakPolarHBondContact OH-CA 3.37Å; Y146-D221 WeakPolarHBondContact OH-CB 3.34Å; Y146-D221 PolarHBondContact OH-OD1 3.49Å; T219-D221 VanDerWaalsContact C-N 3.26Å; T219-D221 PolarHBondContact O-N 3.23Å; T219-D221 PolarHBondContact OG1-N 3.1Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.85Å; D221-K225 WeakPolarHBondContact O-CB 3.48Å; D221-K225 PolarHBondContact O-N 2.79Å; D221-K225 VanDerWaalsContact OD1-CD 3.22Å; D221-K225 WeakPolarHBondContact OD1-CD 3.37Å; D221-K225 WeakPolarHBondContact OD1-CE 3.16Å; D221-K225 IonicContact OD1-NZ 3.76Å; D221-K225 PolarHBondContact OD1-NZ 2.83Å; D221-K225 IonicContact OD2-NZ 2.84Å; D221-K225 PolarHBondContact OD2-NZ 3.09Å |
| 222 | H | 94.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 18.3 Ų | 18.3 | 12% | 0.12 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 173.6 | -72.3 | 73 | 0 | 0 | 0 | 111.7 | L135 V217 T219 L220 S226 | L135-H222 VanDerWaalsContact CD1-NE2 3.31Å; L135-H222 WeakPolarHBondContact CD1-NE2 3.44Å; L135-H222 HydrophobicContact CD2-CB 4.11Å; V217-H222 HydrophobicContact CB-CB 3.56Å; V217-H222 HydrophobicContact CG1-CB 4.01Å; V217-H222 HydrophobicContact CG2-CB 3.8Å; T219-H222 WeakPolarHBondContact O-CB 3.23Å; T219-H222 PolarHBondContact O-N 2.71Å; T219-H222 PolarHBondContact OG1-N 3.17Å; T219-H222 PolarHBondContact OG1-ND1 3.17Å; L220-H222 VanDerWaalsContact C-N 3.34Å; L220-H222 PolarHBondContact O-N 3.03Å; H222-S226 WeakPolarHBondContact O-CA 3.3Å; H222-S226 WeakPolarHBondContact O-CB 3.34Å; H222-S226 PolarHBondContact O-N 3.41Å |
| 223 | L | 94.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.6 | -53.6 | -179.9 | 178 | 66.3 | 0 | 0 | 0 | 111.4 | F194 Y203 Q204 L205 V217 T219 L220 D221 S226 L227 | F194-L223 HydrophobicContact CB-CD2 3.89Å; F194-L223 HydrophobicContact CD1-CD2 3.29Å; F194-L223 HydrophobicContact CD1-CG 4.43Å; F194-L223 HydrophobicContact CD2-CD2 4.2Å; F194-L223 HydrophobicContact CE1-CD2 3.72Å; F194-L223 HydrophobicContact CE1-CG 4.45Å; F194-L223 HydrophobicContact CG-CD2 3.53Å; F194-L223 HydrophobicContact CZ-CD2 4.33Å; Y203-L223 HydrophobicContact CD1-CD2 3.89Å; Y203-L223 HydrophobicContact CG-CB 4.44Å; Y203-L223 HydrophobicContact CG-CD2 4.14Å; Q204-L223 WeakPolarHBondContact O-CD1 3.28Å; L205-L223 HydrophobicContact CD2-CD1 3.91Å; V217-L223 HydrophobicContact CG2-CB 3.96Å; T219-L223 PolarHBondContact O-N 2.69Å; L220-L223 HydrophobicContact CD1-CD2 4.2Å; L220-L223 WeakPolarHBondContact O-CB 3.4Å; L220-L223 PolarHBondContact O-N 3.49Å; L220-L223 VanDerWaalsContact O-N 3.15Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.85Å; L223-S226 WeakPolarHBondContact O-CB 3.4Å; L223-S226 PolarHBondContact O-N 2.93Å; L223-L227 HydrophobicContact CD1-CD1 4.45Å; L223-L227 HydrophobicContact CD1-CG 4.46Å; L223-L227 HydrophobicContact CG-CD1 4.22Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 2.98Å |
| 224 | V | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | -174.6 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | Y167 L181 F194 L220 S226 L227 A228 F239 | Y167-V224 HydrophobicContact CD2-CG1 4.02Å; Y167-V224 HydrophobicContact CE1-CG1 4.21Å; Y167-V224 HydrophobicContact CE2-CG1 3.52Å; L181-V224 HydrophobicContact CD1-CG2 3.36Å; L181-V224 HydrophobicContact CD2-CG2 4.32Å; L181-V224 HydrophobicContact CG-CG2 4.49Å; F194-V224 HydrophobicContact CE2-CG2 4.31Å; L220-V224 HydrophobicContact CD1-CG2 4.03Å; L220-V224 HydrophobicContact CG-CG2 4.21Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.01Å; V224-S226 VanDerWaalsContact C-N 3.32Å; V224-S226 PolarHBondContact O-N 3Å; V224-L227 WeakPolarHBondContact O-CB 3.45Å; V224-L227 PolarHBondContact O-N 2.92Å; V224-A228 WeakPolarHBondContact O-CB 3.33Å; V224-A228 PolarHBondContact O-N 2.95Å; V224-F239 HydrophobicContact CG1-CB 4.05Å; V224-F239 HydrophobicContact CG1-CD1 3.56Å; V224-F239 HydrophobicContact CG1-CE1 4.24Å; V224-F239 HydrophobicContact CG1-CG 3.86Å |
| 225 | K | 94.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72.2 | -26.8 | 176.4 | -70.9 | 177.2 | 178.3 | 154.5 | 0 | 112.2 | H132 L134 L135 E136 D221 A228 R229 A262 | H132-K225 WeakPolarHBondContact O-CE 3.48Å; L134-K225 VanDerWaalsContact O-CD 3.26Å; L134-K225 WeakPolarHBondContact O-CD 3.34Å; L134-K225 WeakPolarHBondContact O-CE 3.31Å; L134-K225 PolarHBondContact O-NZ 3.09Å; L135-K225 HydrophobicContact CD2-CD 4.48Å; E136-K225 IonicContact OE1-NZ 2.85Å; E136-K225 PolarHBondContact OE1-NZ 3.1Å; D221-K225 WeakPolarHBondContact O-CB 3.48Å; D221-K225 PolarHBondContact O-N 2.79Å; D221-K225 VanDerWaalsContact OD1-CD 3.22Å; D221-K225 WeakPolarHBondContact OD1-CD 3.37Å; D221-K225 WeakPolarHBondContact OD1-CE 3.16Å; D221-K225 IonicContact OD1-NZ 3.76Å; D221-K225 PolarHBondContact OD1-NZ 2.83Å; D221-K225 IonicContact OD2-NZ 2.84Å; D221-K225 PolarHBondContact OD2-NZ 3.09Å; K225-A228 PolarHBondContact O-N 3.39Å; K225-R229 WeakPolarHBondContact O-CB 3.33Å; K225-R229 PolarHBondContact O-N 3.12Å; K225-A262 VanDerWaalsContact C-CB 3.43Å; K225-A262 HydrophobicContact CB-CB 3.46Å; K225-A262 VanDerWaalsContact CB-CB 3.46Å |
| 226 | S | 93.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -46.5 | 169.7 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | L205 H222 L223 V224 A228 R229 S230 P263 | L205-S226 WeakPolarHBondContact CD2-OG 3.13Å; H222-S226 WeakPolarHBondContact O-CA 3.3Å; H222-S226 WeakPolarHBondContact O-CB 3.34Å; H222-S226 PolarHBondContact O-N 3.41Å; L223-S226 WeakPolarHBondContact O-CB 3.4Å; L223-S226 PolarHBondContact O-N 2.93Å; V224-S226 VanDerWaalsContact C-N 3.32Å; V224-S226 PolarHBondContact O-N 3Å; S226-A228 VanDerWaalsContact C-N 3.31Å; S226-A228 PolarHBondContact O-N 3.49Å; S226-R229 PolarHBondContact O-N 3.41Å; S226-S230 VanDerWaalsContact O-CB 3.28Å; S226-S230 WeakPolarHBondContact O-CB 3.17Å; S226-S230 PolarHBondContact O-N 3.42Å; S226-S230 PolarHBondContact O-OG 2.94Å; S226-P263 WeakPolarHBondContact CB-O 2.93Å; S226-P263 PolarHBondContact OG-O 2.82Å |
| 227 | L | 92.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58 | -44 | 174.1 | -70.3 | 170 | 0 | 0 | 0 | 111.3 | F194 R206 L223 V224 S230 Q231 A232 A234 F239 | F194-L227 HydrophobicContact CE1-CD1 3.86Å; F194-L227 HydrophobicContact CZ-CD1 3.62Å; R206-L227 HydrophobicContact CB-CD2 4Å; R206-L227 HydrophobicContact CG-CD2 4.12Å; L223-L227 HydrophobicContact CD1-CD1 4.45Å; L223-L227 HydrophobicContact CD1-CG 4.46Å; L223-L227 HydrophobicContact CG-CD1 4.22Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 2.98Å; V224-L227 WeakPolarHBondContact O-CB 3.45Å; V224-L227 PolarHBondContact O-N 2.92Å; L227-S230 WeakPolarHBondContact CA-OG 3.37Å; L227-S230 CarbonylContact O-C 3.58Å; L227-S230 PolarHBondContact O-N 2.78Å; L227-S230 PolarHBondContact O-OG 3.42Å; L227-S230 VanDerWaalsContact O-OG 3.06Å; L227-Q231 CarbonylContact O-C 3.52Å; L227-Q231 WeakPolarHBondContact O-CA 3.38Å; L227-Q231 PolarHBondContact O-N 3.15Å; L227-A232 HydrophobicContact CD2-CB 3.72Å; L227-A232 PolarHBondContact O-N 3.35Å; L227-A234 HydrophobicContact CD1-CB 3.92Å; L227-F239 HydrophobicContact CD1-CD2 4.37Å |
| 228 | A | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L133 V224 K225 S226 S230 Q231 F239 | L133-A228 HydrophobicContact CD2-CB 3.72Å; V224-A228 WeakPolarHBondContact O-CB 3.33Å; V224-A228 PolarHBondContact O-N 2.95Å; K225-A228 PolarHBondContact O-N 3.39Å; S226-A228 VanDerWaalsContact C-N 3.31Å; S226-A228 PolarHBondContact O-N 3.49Å; A228-S230 VanDerWaalsContact C-N 3.31Å; A228-S230 PolarHBondContact O-N 3.25Å; A228-Q231 PolarHBondContact O-N 2.95Å; A228-Q231 PolarHBondContact O-NE2 3.15Å; A228-Q231 PolarHBondContact O-OE1 3.3Å; A228-F239 WeakPolarHBondContact CA-O 3.46Å; A228-F239 HydrophobicContact CB-CB 4.2Å; A228-F239 WeakPolarHBondContact CB-O 3.27Å |
| 229 | R | 88.7 | Confident | 89.3 | Confident | 59 Ų | 59 | 14.6 Ų | 14.6 | 22% | 0.223 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 177.7 | -168.3 | -178 | 177.1 | -168.5 | -0.3 | 111.9 | L133 K225 S226 Q231 A262 L264 H343 | L133-R229 HydrophobicContact CD1-CB 4.4Å; L133-R229 HydrophobicContact CD1-CG 4.28Å; L133-R229 HydrophobicContact CD2-CB 4.27Å; K225-R229 WeakPolarHBondContact O-CB 3.33Å; K225-R229 PolarHBondContact O-N 3.12Å; S226-R229 PolarHBondContact O-N 3.41Å; R229-Q231 VanDerWaalsContact C-N 3.34Å; R229-A262 WeakPolarHBondContact CD-O 3.43Å; R229-A262 PolarHBondContact NH1-O 2.76Å; R229-L264 HydrophobicContact CB-CD2 4.22Å; R229-L264 HydrophobicContact CG-CD2 3.8Å; R229-L264 HydrophobicContact CG-CG 4.11Å; R229-H343 PolarHBondContact NH1-CE1 2.87Å |
| 230 | S | 86 | Confident | 89.2 | Confident | 18 Ų | 18 | 15 Ų | 15 | 13% | 0.126 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -83.4 | -9.3 | 177.2 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | S226 L227 A228 A232 | S226-S230 VanDerWaalsContact O-CB 3.28Å; S226-S230 WeakPolarHBondContact O-CB 3.17Å; S226-S230 PolarHBondContact O-N 3.42Å; S226-S230 PolarHBondContact O-OG 2.94Å; L227-S230 WeakPolarHBondContact CA-OG 3.37Å; L227-S230 CarbonylContact O-C 3.58Å; L227-S230 PolarHBondContact O-N 2.78Å; L227-S230 PolarHBondContact O-OG 3.42Å; L227-S230 VanDerWaalsContact O-OG 3.06Å; A228-S230 VanDerWaalsContact C-N 3.31Å; A228-S230 PolarHBondContact O-N 3.25Å; S230-A232 PolarHBondContact O-N 2.83Å; S230-A232 WeakPolarHBondContact OG-CB 3.27Å; S230-A232 PolarHBondContact OG-N 3.3Å |
| 231 | Q | 81.8 | Confident | 89.1 | Confident | 36 Ų | 36 | 18.8 Ų | 18.8 | 17% | 0.168 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.4 | -170.4 | -49.4 | -58.3 | -18.6 | 0 | 0 | 112.3 | L227 A228 R229 N469 K478 | L227-Q231 CarbonylContact O-C 3.52Å; L227-Q231 WeakPolarHBondContact O-CA 3.38Å; L227-Q231 PolarHBondContact O-N 3.15Å; A228-Q231 PolarHBondContact O-N 2.95Å; A228-Q231 PolarHBondContact O-NE2 3.15Å; A228-Q231 PolarHBondContact O-OE1 3.3Å; R229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-N469 HydrophobicContact CG-CB 4Å; Q231-K478 WeakPolarHBondContact O-CE 3.22Å; Q231-K478 PolarHBondContact O-NZ 2.95Å |
| 232 | A | 83.4 | Confident | 89 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | trans | -84.9 | 150.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L227 S230 | L227-A232 HydrophobicContact CD2-CB 3.72Å; L227-A232 PolarHBondContact O-N 3.35Å; S230-A232 PolarHBondContact O-N 2.83Å; S230-A232 WeakPolarHBondContact OG-CB 3.27Å; S230-A232 PolarHBondContact OG-N 3.3Å | ||
| 233 | T | 83.7 | Confident | 89 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 7% | 0.067 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.6 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | R206 Y237 D404 W424 | R206-T233 WeakPolarHBondContact CD-O 3.15Å; R206-T233 PolarHBondContact NH1-O 3.18Å; R206-T233 VanDerWaalsContact NH1-O 3.11Å; T233-Y237 CarbonylContact C-O 3.56Å; T233-Y237 VanDerWaalsContact CA-O 3.24Å; T233-Y237 WeakPolarHBondContact CA-O 3.18Å; T233-D404 PolarHBondContact OG1-OD2 3.2Å; T233-W424 HydrophobicContact CG2-CH2 3.53Å; T233-W424 HydrophobicContact CG2-CZ2 3.62Å; T233-W424 HydrophobicContact CG2-CZ3 4.44Å |
| 234 | A | 85.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.8 | V192 F194 L227 G236 Y237 F239 | V192-A234 HydrophobicContact CG1-CB 4.29Å; F194-A234 HydrophobicContact CE1-CB 3.58Å; F194-A234 HydrophobicContact CZ-CB 3.43Å; F194-A234 VanDerWaalsContact CZ-CB 3.43Å; L227-A234 HydrophobicContact CD1-CB 3.92Å; A234-G236 PolarHBondContact O-N 3.49Å; A234-Y237 PolarHBondContact N-O 3.42Å; A234-Y237 WeakPolarHBondContact O-CD2 3.34Å; A234-Y237 PolarHBondContact O-N 2.87Å; A234-F239 HydrophobicContact CB-CE2 3.99Å |
| 235 | S | 82.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 26.5 Ų | 26.5 | 41% | 0.413 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31.5 | -174.8 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | Y237 | S235-Y237 WeakPolarHBondContact O-CD2 3Å; S235-Y237 WeakPolarHBondContact O-CE2 3.41Å |
| 236 | G | 79.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -4.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A234 | A234-G236 PolarHBondContact O-N 3.49Š|
| 237 | Y | 87.4 | Confident | 85.5 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 19% | 0.192 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.1 | -176.1 | -43.8 | -65.1 | 0 | 0 | 0 | 111.8 | V183 W185 H190 V192 T233 A234 S235 | V183-Y237 HydrophobicContact CG1-CD2 4.26Å; V183-Y237 HydrophobicContact CG1-CG 4.01Å; W185-Y237 HydrophobicContact CB-CD1 3.81Å; W185-Y237 HydrophobicContact CB-CE1 4.5Å; W185-Y237 AromaticContact CD1-CD1 3.83Å; W185-Y237 AromaticContact CG-CD1 3.83Å; W185-Y237 HydrophobicContact CG-CD1 3.83Å; H190-Y237 HydrophobicContact CB-CD1 4.35Å; H190-Y237 HydrophobicContact CB-CD2 4.12Å; H190-Y237 HydrophobicContact CB-CE1 3.97Å; H190-Y237 HydrophobicContact CB-CE2 3.7Å; H190-Y237 HydrophobicContact CB-CG 4.42Å; H190-Y237 AromaticContact CD2-CD1 3.86Å; H190-Y237 AromaticContact CD2-CE1 3.39Å; H190-Y237 WeakPolarHBondContact CD2-CE1 3.47Å; H190-Y237 AromaticContact CD2-CZ 3.87Å; H190-Y237 AromaticContact CE1-CE1 3.89Å; H190-Y237 AromaticContact CG-CE1 3.42Å; H190-Y237 VanDerWaalsContact CG-CE1 3.42Å; H190-Y237 AromaticContact CG-CZ 3.37Å; H190-Y237 AromaticContact ND1-CE1 3.76Å; H190-Y237 AromaticContact ND1-CZ 3.51Å; H190-Y237 PolarHBondContact ND1-OH 3.02Å; H190-Y237 VanDerWaalsContact ND1-OH 3.09Å; H190-Y237 AromaticContact NE2-CE1 3.66Å; V192-Y237 HydrophobicContact CG2-CD2 3.64Å; V192-Y237 HydrophobicContact CG2-CE2 4.23Å; T233-Y237 CarbonylContact C-O 3.56Å; T233-Y237 VanDerWaalsContact CA-O 3.24Å; T233-Y237 WeakPolarHBondContact CA-O 3.18Å; A234-Y237 PolarHBondContact N-O 3.42Å; A234-Y237 WeakPolarHBondContact O-CD2 3.34Å; A234-Y237 PolarHBondContact O-N 2.87Å; S235-Y237 WeakPolarHBondContact O-CD2 3Å; S235-Y237 WeakPolarHBondContact O-CE2 3.41Å |
| 238 | Q | 89.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137.5 | 177 | -173.3 | -175 | 15.8 | 0 | 0 | 110.1 | G165 W185 I240 C476 | G165-Q238 VanDerWaalsContact CA-O 3.23Å; G165-Q238 WeakPolarHBondContact CA-O 3.38Å; W185-Q238 HydrophobicContact CE3-CB 4.42Å; W185-Q238 HydrophobicContact CH2-CB 3.54Å; W185-Q238 VanDerWaalsContact CH2-OE1 3.29Å; W185-Q238 HydrophobicContact CZ2-CB 4.4Å; W185-Q238 HydrophobicContact CZ3-CB 3.54Å; Q238-I240 HydrophobicContact CG-CG1 4.19Å; Q238-C476 PolarHBondContact OE1-SG 2.9Å |
| 239 | F | 91.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -94.3 | 131.5 | 173.4 | -65 | -97.8 | 0 | 0 | 0 | 108.2 | Y167 L181 V183 V192 F194 V224 L227 A228 A234 | Y167-F239 HydrophobicContact CD1-CB 3.94Å; Y167-F239 AromaticContact CD1-CD1 3.76Å; Y167-F239 HydrophobicContact CD1-CD1 3.76Å; Y167-F239 HydrophobicContact CD1-CG 4.36Å; Y167-F239 HydrophobicContact CD2-CD1 4.11Å; Y167-F239 HydrophobicContact CE1-CB 4.03Å; Y167-F239 HydrophobicContact CE1-CD1 4.37Å; Y167-F239 AromaticContact CG-CD1 3.61Å; Y167-F239 HydrophobicContact CG-CD1 3.61Å; Y167-F239 HydrophobicContact CG-CE1 4.32Å; L181-F239 HydrophobicContact CB-CE1 4.09Å; L181-F239 HydrophobicContact CD1-CE1 4.21Å; L181-F239 HydrophobicContact CD2-CE1 4.44Å; L181-F239 HydrophobicContact CG-CE1 4.48Å; V183-F239 HydrophobicContact CB-CE1 4.28Å; V192-F239 HydrophobicContact CB-CZ 4.05Å; V192-F239 HydrophobicContact CG1-CZ 4.11Å; V192-F239 HydrophobicContact CG2-CZ 4.09Å; F194-F239 HydrophobicContact CE2-CZ 4.22Å; F194-F239 HydrophobicContact CZ-CE2 4.23Å; F194-F239 HydrophobicContact CZ-CZ 4.32Å; V224-F239 HydrophobicContact CG1-CB 4.05Å; V224-F239 HydrophobicContact CG1-CD1 3.56Å; V224-F239 HydrophobicContact CG1-CE1 4.24Å; V224-F239 HydrophobicContact CG1-CG 3.86Å; L227-F239 HydrophobicContact CD1-CD2 4.37Å; A228-F239 WeakPolarHBondContact CA-O 3.46Å; A228-F239 HydrophobicContact CB-CB 4.2Å; A228-F239 WeakPolarHBondContact CB-O 3.27Å; A234-F239 HydrophobicContact CB-CE2 3.99Å | ||
| 240 | I | 89.5 | Confident | 80 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | trans | -126.1 | -62.4 | 177.9 | -56.4 | -179 | 0 | 0 | 0 | 109.5 | H132 G165 Q238 | H132-I240 PolarHBondContact CD2-O 2.91Å; G165-I240 WeakPolarHBondContact O-CA 3.49Å; G165-I240 PolarHBondContact O-N 3.23Å; Q238-I240 HydrophobicContact CG-CG1 4.19Å | ||
| 241 | R | 90.5 | Very high | 78.1 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | -170.6 | -67.6 | 174.5 | -65 | -89.1 | -16.7 | 111.8 | N164 G165 D166 Y167 V243 | N164-R241 PolarHBondContact O-NH2 2.86Å; N164-R241 VanDerWaalsContact O-NH2 3.09Å; G165-R241 PolarHBondContact O-N 3.06Å; D166-R241 CarbonylContact C-O 3.58Å; D166-R241 VanDerWaalsContact CA-O 3.31Å; D166-R241 WeakPolarHBondContact CA-O 2.87Å; D166-R241 IonicContact OD1-CZ 2.88Å; D166-R241 VanDerWaalsContact OD1-CZ 3.29Å; D166-R241 IonicContact OD1-NE 2.71Å; D166-R241 PolarHBondContact OD1-NE 3.31Å; D166-R241 IonicContact OD1-NH2 3.49Å; D166-R241 PolarHBondContact OD1-NH2 2.96Å; Y167-R241 VanDerWaalsContact CD1-C 3.45Å; Y167-R241 VanDerWaalsContact CD1-O 3.23Å; Y167-R241 WeakPolarHBondContact CD1-O 3.39Å; Y167-R241 PolarHBondContact N-O 2.87Å; R241-V243 PolarHBondContact O-N 3.2Å |
| 242 | P | 94.5 | Very high | 76.5 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.4 | 168.2 | 24.8 | -21.3 | 0 | 0 | 0 | 109.6 | H132 Y146 Y167 K244 | H132-P242 HydrophobicContact CB-CG 4.17Å; Y146-P242 HydrophobicContact CD1-CB 3.94Å; Y146-P242 HydrophobicContact CG-CB 3.8Å; Y167-P242 HydrophobicContact CD2-CB 4.43Å; Y167-P242 HydrophobicContact CE1-CB 4.22Å; Y167-P242 VanDerWaalsContact CE1-N 3.29Å; Y167-P242 HydrophobicContact CE2-CB 3.69Å; Y167-P242 CarbonylContact O-C 3.58Å; Y167-P242 WeakPolarHBondContact O-CA 3.48Å; P242-K244 PolarHBondContact O-N 2.87Å |
| 243 | V | 94.3 | Very high | 75 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | trans | -80.8 | 105.9 | 172.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | Y146 H148 L160 L161 D166 Y167 R241 | Y146-V243 WeakPolarHBondContact CA-O 3.33Å; H148-V243 PolarHBondContact NE2-O 2.96Å; L160-V243 HydrophobicContact CB-CG1 4.18Å; L160-V243 HydrophobicContact CD2-CG1 4.31Å; L161-V243 HydrophobicContact CD2-CG2 3.88Å; D166-V243 HydrophobicContact CB-CG2 3.86Å; Y167-V243 PolarHBondContact O-N 3.49Å; R241-V243 PolarHBondContact O-N 3.2Å | ||
| 244 | K | 90.8 | Very high | 73.6 | Confident | 81 Ų | 81 | 63 Ų | 63 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | trans | -70.5 | 144.5 | -179 | -60.5 | -177.3 | 178.5 | 174.9 | 0 | 110.7 | E131 T145 P242 | E131-K244 IonicContact OE1-NZ 2.84Å; E131-K244 PolarHBondContact OE1-NZ 2.92Å; T145-K244 CarbonylContact O-C 3.44Å; T145-K244 VanDerWaalsContact O-CA 3.28Å; T145-K244 WeakPolarHBondContact O-CA 3.12Å; P242-K244 PolarHBondContact O-N 2.87Å | ||
| 245 | R | 86.2 | Confident | 71.9 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | trans | -66.9 | 140 | 170.7 | 67.7 | -170.8 | -175 | -168 | -1.2 | 111 | D142 T145 S247 F248 | D142-R245 PolarHBondContact O-NH1 3.12Å; T145-R245 PolarHBondContact O-N 3.37Å; R245-S247 PolarHBondContact O-N 3.25Å; R245-F248 HydrophobicContact CG-CB 4.42Å; R245-F248 PolarHBondContact O-N 2.97Å | ||
| 246 | N | 67.5 | Low | 70.4 | Confident | 166 Ų | 166 | 72.3 Ų | 72.3 | 89% | 0.888 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.6 | -177.1 | -73.7 | -21.5 | 0 | 0 | 0 | 114.4 | ||
| 247 | S | 59.5 | Low | 69.4 | Low | 94 Ų | 94 | 77.7 Ų | 77.7 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 14.8 | -177.8 | 56 | 0 | 0 | 0 | 0 | 114.6 | R245 D249 | R245-S247 PolarHBondContact O-N 3.25Å; S247-D249 PolarHBondContact O-N 3.48Å |
| 248 | F | 53.3 | Low | 68.4 | Low | 58 Ų | 58 | 82.8 Ų | 82.8 | 25% | 0.254 | 43% | 0.43 | S | S | . | . | trans | -73.2 | 100.4 | 178.3 | -164.9 | -93.7 | 0 | 0 | 0 | 111.2 | T145 R245 M250 | T145-F248 HydrophobicContact CG2-CD1 4.14Å; T145-F248 HydrophobicContact CG2-CD2 3.48Å; T145-F248 VanDerWaalsContact CG2-CD2 3.48Å; T145-F248 HydrophobicContact CG2-CE1 3.91Å; T145-F248 HydrophobicContact CG2-CE2 3.22Å; T145-F248 HydrophobicContact CG2-CG 3.95Å; T145-F248 HydrophobicContact CG2-CZ 3.44Å; T145-F248 VanDerWaalsContact CG2-CZ 3.44Å; R245-F248 HydrophobicContact CG-CB 4.42Å; R245-F248 PolarHBondContact O-N 2.97Å; F248-M250 HydrophobicContact CE1-SD 4.43Å | ||
| 249 | D | 51.1 | Low | 67.7 | Low | 106 Ų | 106 | 84.5 Ų | 84.5 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | trans | -81.8 | 117.2 | 174.6 | -166.2 | -2.1 | 0 | 0 | 0 | 110.2 | S247 S251 D252 | S247-D249 PolarHBondContact O-N 3.48Å; D249-S251 PolarHBondContact O-N 3.42Å; D249-S251 VanDerWaalsContact O-N 3.11Å; D249-S251 WeakPolarHBondContact OD1-CB 3.12Å; D249-S251 PolarHBondContact OD1-N 2.93Å; D249-S251 VanDerWaalsContact OD1-N 3.12Å; D249-S251 PolarHBondContact OD1-OG 3.31Å; D249-S251 PolarHBondContact OD2-OG 3.44Å; D249-D252 PolarHBondContact O-N 3.22Å | ||
| 250 | M | 52.1 | Low | 67.4 | Low | 114 Ų | 114 | 90 Ų | 90 | 56% | 0.562 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -65.4 | -6.1 | 175.1 | -77.6 | -85.5 | -81.7 | 0 | 0 | 112.6 | F248 D252 Y253 | F248-M250 HydrophobicContact CE1-SD 4.43Å; M250-D252 VanDerWaalsContact C-N 3.25Å; M250-D252 PolarHBondContact O-N 3.35Å; M250-Y253 WeakPolarHBondContact O-CB 3.37Å; M250-Y253 PolarHBondContact O-N 2.97Å; M250-Y253 HydrophobicContact SD-CD2 4.09Å; M250-Y253 HydrophobicContact SD-CE2 4.37Å |
| 251 | S | 45.6 | Very low | 67.4 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 63% | 0.629 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -66.3 | -23.7 | 176.8 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | D249 Y253 | D249-S251 PolarHBondContact O-N 3.42Å; D249-S251 VanDerWaalsContact O-N 3.11Å; D249-S251 WeakPolarHBondContact OD1-CB 3.12Å; D249-S251 PolarHBondContact OD1-N 2.93Å; D249-S251 VanDerWaalsContact OD1-N 3.12Å; D249-S251 PolarHBondContact OD1-OG 3.31Å; D249-S251 PolarHBondContact OD2-OG 3.44Å; S251-Y253 PolarHBondContact O-N 2.91Å |
| 252 | D | 48.1 | Very low | 67.5 | Low | 145 Ų | 145 | 87.1 Ų | 87.1 | 78% | 0.775 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -82.3 | 7.4 | 178.7 | -128.8 | 11.6 | 0 | 0 | 0 | 112.8 | D249 M250 D254 | D249-D252 PolarHBondContact O-N 3.22Å; M250-D252 VanDerWaalsContact C-N 3.25Å; M250-D252 PolarHBondContact O-N 3.35Å; D252-D254 PolarHBondContact O-N 3.44Å |
| 253 | Y | 53.4 | Low | 67.4 | Low | 60 Ų | 60 | 86.6 Ų | 86.6 | 24% | 0.235 | 44% | 0.444 | C | S | . | . | trans | -86 | 106.2 | -172.9 | -146.7 | -87.2 | 0 | 0 | 0 | 111.4 | L137 M250 S251 V255 R259 | L137-Y253 HydrophobicContact CD1-CD2 4.23Å; L137-Y253 HydrophobicContact CD1-CE2 4.11Å; M250-Y253 WeakPolarHBondContact O-CB 3.37Å; M250-Y253 PolarHBondContact O-N 2.97Å; M250-Y253 HydrophobicContact SD-CD2 4.09Å; M250-Y253 HydrophobicContact SD-CE2 4.37Å; S251-Y253 PolarHBondContact O-N 2.91Å; Y253-V255 PolarHBondContact O-N 2.85Å; Y253-R259 WeakPolarHBondContact OH-CD 3.4Å; Y253-R259 VanDerWaalsContact OH-CZ 3.26Å; Y253-R259 PolarHBondContact OH-NE 3.39Å; Y253-R259 VanDerWaalsContact OH-NE 3.13Å; Y253-R259 PolarHBondContact OH-NH1 3.4Å | ||
| 254 | D | 53.3 | Low | 67.3 | Low | 69 Ų | 69 | 86.5 Ų | 86.5 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | trans | -70.6 | 95.6 | 169.2 | -174.5 | -2.7 | 0 | 0 | 0 | 109.9 | D252 T256 K257 | D252-D254 PolarHBondContact O-N 3.44Å; D254-T256 VanDerWaalsContact CG-OG1 3.24Å; D254-T256 PolarHBondContact O-N 3.28Å; D254-T256 WeakPolarHBondContact OD1-CB 3.37Å; D254-T256 PolarHBondContact OD1-N 3.14Å; D254-T256 PolarHBondContact OD1-OG1 3.45Å; D254-T256 PolarHBondContact OD2-OG1 3Å; D254-K257 HydrophobicContact CB-CG 4.49Å; D254-K257 PolarHBondContact O-N 3.49Å | ||
| 255 | V | 49.7 | Very low | 67.3 | Low | 134 Ų | 134 | 82.7 Ų | 82.7 | 81% | 0.812 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -14.9 | 179.9 | -154.5 | 0 | 0 | 0 | 0 | 112.4 | Y253 | Y253-V255 PolarHBondContact O-N 2.85Š|
| 256 | T | 50.6 | Low | 67.7 | Low | 121 Ų | 121 | 79.2 Ų | 79.2 | 74% | 0.742 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.7 | 178.1 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | D254 K258 | D254-T256 VanDerWaalsContact CG-OG1 3.24Å; D254-T256 PolarHBondContact O-N 3.28Å; D254-T256 WeakPolarHBondContact OD1-CB 3.37Å; D254-T256 PolarHBondContact OD1-N 3.14Å; D254-T256 PolarHBondContact OD1-OG1 3.45Å; D254-T256 PolarHBondContact OD2-OG1 3Å; T256-K258 PolarHBondContact O-N 3.45Å |
| 257 | K | 58.6 | Low | 68.6 | Low | 120 Ų | 120 | 72 Ų | 72 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -85 | 108.8 | 177.8 | -73.9 | -174.9 | -179.6 | 179.9 | 0 | 110.7 | L137 D254 R259 | L137-K257 HydrophobicContact CD2-CB 4.04Å; D254-K257 HydrophobicContact CB-CG 4.49Å; D254-K257 PolarHBondContact O-N 3.49Å; K257-R259 PolarHBondContact O-N 3.31Å |
| 258 | K | 67.6 | Low | 69.9 | Low | 157 Ų | 157 | 70.1 Ų | 70.1 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | trans | -63.5 | 106.1 | 172.6 | -164.1 | -175.1 | -179.8 | -162 | 0 | 108.9 | T256 E351 | T256-K258 PolarHBondContact O-N 3.45Å; K258-E351 IonicContact NZ-OE1 2.66Å; K258-E351 PolarHBondContact NZ-OE1 3.28Å | ||
| 259 | R | 73.5 | Confident | 71.7 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | trans | -60.9 | 137.3 | 171 | -84 | -160.9 | 162.7 | 163.6 | -24.9 | 109.7 | L134 L135 E136 L137 Y253 K257 | L134-R259 HydrophobicContact CB-CB 4.17Å; L134-R259 HydrophobicContact CD1-CB 4.04Å; L134-R259 HydrophobicContact CD2-CB 4.13Å; L134-R259 HydrophobicContact CG-CB 4.36Å; L135-R259 PolarHBondContact O-NE 3.3Å; E136-R259 IonicContact OE2-NH2 3.66Å; L137-R259 HydrophobicContact CD2-CG 3.56Å; L137-R259 HydrophobicContact CG-CG 4.16Å; Y253-R259 WeakPolarHBondContact OH-CD 3.4Å; Y253-R259 VanDerWaalsContact OH-CZ 3.26Å; Y253-R259 PolarHBondContact OH-NE 3.39Å; Y253-R259 VanDerWaalsContact OH-NE 3.13Å; Y253-R259 PolarHBondContact OH-NH1 3.4Å; K257-R259 PolarHBondContact O-N 3.31Å | ||
| 260 | R | 85.3 | Confident | 73.7 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | trans | -104.8 | 148.6 | 177.9 | -69.1 | -174.9 | 169.5 | 171 | -5 | 110.3 | L134 L135 E351 | L134-R260 WeakPolarHBondContact CA-O 3.12Å; L135-R260 HydrophobicContact CD1-CB 4.27Å; L135-R260 PolarHBondContact N-O 3.13Å; R260-E351 IonicContact CZ-OE2 2.84Å; R260-E351 IonicContact NE-OE2 3.88Å; R260-E351 IonicContact NH2-OE2 2.89Å; R260-E351 PolarHBondContact NH2-OE2 2.89Å | ||
| 261 | L | 89.5 | Confident | 75.8 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 146.6 | 168.4 | -70.5 | 166.9 | 0 | 0 | 0 | 109.1 | D130 L133 L134 | D130-L261 HydrophobicContact CB-CD2 4.43Å; L133-L261 HydrophobicContact CB-CD2 3.71Å; L134-L261 HydrophobicContact CD2-CD2 3.78Å; L134-L261 HydrophobicContact CD2-CG 4.04Å; L134-L261 HydrophobicContact CG-CD2 4.4Å |
| 262 | A | 92 | Very high | 78.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L133 L135 K225 R229 | L133-A262 PolarHBondContact O-N 2.79Å; L135-A262 HydrophobicContact CD2-CB 3.72Å; L135-A262 HydrophobicContact CG-CB 4.28Å; K225-A262 VanDerWaalsContact C-CB 3.43Å; K225-A262 HydrophobicContact CB-CB 3.46Å; K225-A262 VanDerWaalsContact CB-CB 3.46Å; R229-A262 WeakPolarHBondContact CD-O 3.43Å; R229-A262 PolarHBondContact NH1-O 2.76Å |
| 263 | P | 93.3 | Very high | 80.2 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -64 | 153.9 | -176.4 | 26.8 | -34.7 | 0 | 0 | 0 | 111.8 | L205 V217 S226 T341 H343 E344 | L205-P263 HydrophobicContact CD1-CG 4.45Å; V217-P263 HydrophobicContact CG1-CG 3.65Å; S226-P263 WeakPolarHBondContact CB-O 2.93Å; S226-P263 PolarHBondContact OG-O 2.82Å; P263-T341 HydrophobicContact CB-CG2 3.97Å; P263-T341 HydrophobicContact CG-CG2 3.92Å; P263-H343 HydrophobicContact CB-CB 4.08Å; P263-E344 HydrophobicContact CB-CG 4.14Å; P263-E344 HydrophobicContact CG-CG 4.46Å |
| 264 | L | 92.1 | Very high | 82 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 141.2 | 168.6 | -77.8 | 168.1 | 0 | 0 | 0 | 109 | R229 L268 L269 H343 | R229-L264 HydrophobicContact CB-CD2 4.22Å; R229-L264 HydrophobicContact CG-CD2 3.8Å; R229-L264 HydrophobicContact CG-CG 4.11Å; L264-L268 HydrophobicContact CD2-CB 4.44Å; L264-L268 HydrophobicContact CD2-CD1 4.43Å; L264-L269 HydrophobicContact CB-CD2 3.74Å; L264-H343 WeakPolarHBondContact CB-ND1 3.15Å; L264-H343 PolarHBondContact N-ND1 2.78Å |
| 265 | P | 91.6 | Very high | 83.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -57 | 146.7 | 168.4 | -20.3 | 29.8 | 0 | 0 | 0 | 112 | L205 E215 H267 L268 L269 | L205-P265 HydrophobicContact CD1-CG 4.43Å; E215-P265 WeakPolarHBondContact OE2-CA 3.27Å; P265-H267 VanDerWaalsContact C-N 3.27Å; P265-H267 PolarHBondContact O-N 2.95Å; P265-H267 VanDerWaalsContact O-N 3.1Å; P265-L268 HydrophobicContact CG-CD1 4.49Å; P265-L268 PolarHBondContact O-N 3.06Å; P265-L269 PolarHBondContact O-N 2.94Å |
| 266 | L | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -48.7 | -44.6 | -173.4 | 174.9 | 63.3 | 0 | 0 | 0 | 113.5 | P213 E215 L268 L269 Y272 V293 L301 V342 | P213-L266 HydrophobicContact CG-CD2 3.64Å; E215-L266 WeakPolarHBondContact OE2-CB 3.09Å; E215-L266 PolarHBondContact OE2-N 2.8Å; L266-L268 PolarHBondContact O-N 3.02Å; L266-L269 HydrophobicContact CD1-CD1 3.94Å; L266-L269 WeakPolarHBondContact O-CB 3.3Å; L266-L269 PolarHBondContact O-N 2.91Å; L266-L269 VanDerWaalsContact O-N 3.09Å; L266-Y272 HydrophobicContact CD1-CD1 4.36Å; L266-Y272 HydrophobicContact CD1-CD2 3.59Å; L266-Y272 HydrophobicContact CD1-CE2 4.09Å; L266-Y272 HydrophobicContact CD1-CG 3.72Å; L266-Y272 HydrophobicContact CD2-CD2 4.31Å; L266-Y272 HydrophobicContact CD2-CE2 3.94Å; L266-Y272 HydrophobicContact CG-CD1 4.08Å; L266-Y272 HydrophobicContact CG-CD2 3.93Å; L266-Y272 HydrophobicContact CG-CE1 4.16Å; L266-Y272 HydrophobicContact CG-CE2 4.03Å; L266-Y272 HydrophobicContact CG-CG 3.94Å; L266-Y272 WeakPolarHBondContact O-CB 3.32Å; L266-Y272 WeakPolarHBondContact O-CD1 3.36Å; L266-V293 HydrophobicContact CD1-CG1 4.17Å; L266-L301 HydrophobicContact CD2-CD1 3.83Å; L266-L301 HydrophobicContact CD2-CD2 4.1Å; L266-V342 HydrophobicContact CD1-CB 3.99Å; L266-V342 HydrophobicContact CD1-CG1 3.91Å; L266-V342 HydrophobicContact CD1-CG2 4.15Å; L266-V342 HydrophobicContact CD2-CG2 4.43Å |
| 267 | H | 87 | Confident | 88 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -67.1 | -16.5 | -175.8 | 70.4 | -76.5 | 0 | 0 | 0 | 114.1 | C207 H209 T212 P265 R377 | C207-H267 PolarHBondContact SG-ND1 3.44Å; H209-H267 AromaticContact ND1-CD2 3.73Å; T212-H267 HydrophobicContact CG2-CB 3.87Å; P265-H267 VanDerWaalsContact C-N 3.27Å; P265-H267 PolarHBondContact O-N 2.95Å; P265-H267 VanDerWaalsContact O-N 3.1Å; H267-R377 PolarHBondContact O-NH1 2.88Å; H267-R377 PolarHBondContact O-NH2 2.84Å |
| 268 | L | 87.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 29% | 0.288 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -97.8 | -8.3 | 176.4 | -61.1 | 179.5 | 0 | 0 | 0 | 112.9 | L264 P265 L266 P270 | L264-L268 HydrophobicContact CD2-CB 4.44Å; L264-L268 HydrophobicContact CD2-CD1 4.43Å; P265-L268 HydrophobicContact CG-CD1 4.49Å; P265-L268 PolarHBondContact O-N 3.06Å; L266-L268 PolarHBondContact O-N 3.02Å; L268-P270 WeakPolarHBondContact O-CD 3.41Å |
| 269 | L | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -64.5 | 126.2 | 177.2 | -60.7 | 178.7 | 0 | 0 | 0 | 110 | L264 P265 L266 Y271 Y272 V342 H343 | L264-L269 HydrophobicContact CB-CD2 3.74Å; P265-L269 PolarHBondContact O-N 2.94Å; L266-L269 HydrophobicContact CD1-CD1 3.94Å; L266-L269 WeakPolarHBondContact O-CB 3.3Å; L266-L269 PolarHBondContact O-N 2.91Å; L266-L269 VanDerWaalsContact O-N 3.09Å; L269-Y271 HydrophobicContact CB-CD2 4.25Å; L269-Y271 HydrophobicContact CB-CE2 3.93Å; L269-Y271 HydrophobicContact CD1-CE2 3.71Å; L269-Y271 HydrophobicContact CG-CE2 4.31Å; L269-Y271 PolarHBondContact O-N 3.1Å; L269-Y272 WeakPolarHBondContact O-CB 3.46Å; L269-Y272 PolarHBondContact O-N 3.09Å; L269-V342 HydrophobicContact CD1-CB 4.46Å; L269-V342 HydrophobicContact CD1-CG1 4.44Å; L269-H343 HydrophobicContact CD1-CB 4.16Å; L269-H343 HydrophobicContact CD2-CB 3.86Å; L269-H343 WeakPolarHBondContact CD2-ND1 3.34Å | ||
| 270 | P | 92.1 | Very high | 92.1 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.1 | -179 | -27.9 | 36.5 | 0 | 0 | 0 | 113 | L268 Y272 N376 R377 | L268-P270 WeakPolarHBondContact O-CD 3.41Å; P270-Y272 VanDerWaalsContact C-N 3.3Å; P270-Y272 PolarHBondContact O-N 3.16Å; P270-N376 HydrophobicContact CB-CB 4.01Å; P270-N376 VanDerWaalsContact CB-OD1 3.3Å; P270-N376 WeakPolarHBondContact CB-OD1 3.18Å; P270-N376 CarbonylContact O-C 3.51Å; P270-N376 VanDerWaalsContact O-CA 3.29Å; P270-N376 WeakPolarHBondContact O-CA 3.3Å; P270-R377 PolarHBondContact O-N 2.82Å |
| 271 | Y | 95.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.6 | 178.3 | 52.9 | -105.2 | 0 | 0 | 0 | 113.8 | L269 H273 Y291 V293 I346 P374 | L269-Y271 HydrophobicContact CB-CD2 4.25Å; L269-Y271 HydrophobicContact CB-CE2 3.93Å; L269-Y271 HydrophobicContact CD1-CE2 3.71Å; L269-Y271 HydrophobicContact CG-CE2 4.31Å; L269-Y271 PolarHBondContact O-N 3.1Å; Y271-H273 PolarHBondContact O-CD2 3.15Å; Y271-Y291 HydrophobicContact CD1-CE2 4.24Å; Y271-Y291 HydrophobicContact CD2-CE2 4.22Å; Y271-Y291 AromaticContact CG-CE2 3.99Å; Y271-Y291 HydrophobicContact CG-CE2 3.99Å; Y271-V293 HydrophobicContact CD2-CB 4.33Å; Y271-V293 HydrophobicContact CD2-CG2 3.86Å; Y271-V293 HydrophobicContact CE2-CG2 4.03Å; Y271-V293 PolarHBondContact O-N 3.38Å; Y271-I346 HydrophobicContact CE1-CG2 4.38Å; Y271-I346 HydrophobicContact CE2-CB 4.3Å; Y271-I346 HydrophobicContact CE2-CG1 4.12Å; Y271-I346 HydrophobicContact CE2-CG2 4.06Å; Y271-P374 HydrophobicContact CD1-CB 3.92Å; Y271-P374 HydrophobicContact CG-CB 4.31Å |
| 272 | Y | 94.5 | Very high | 92.9 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.5 | 171.6 | 177.2 | -112.8 | 0 | 0 | 0 | 111.1 | L266 L269 P270 V293 K295 L301 | L266-Y272 HydrophobicContact CD1-CD1 4.36Å; L266-Y272 HydrophobicContact CD1-CD2 3.59Å; L266-Y272 HydrophobicContact CD1-CE2 4.09Å; L266-Y272 HydrophobicContact CD1-CG 3.72Å; L266-Y272 HydrophobicContact CD2-CD2 4.31Å; L266-Y272 HydrophobicContact CD2-CE2 3.94Å; L266-Y272 HydrophobicContact CG-CD1 4.08Å; L266-Y272 HydrophobicContact CG-CD2 3.93Å; L266-Y272 HydrophobicContact CG-CE1 4.16Å; L266-Y272 HydrophobicContact CG-CE2 4.03Å; L266-Y272 HydrophobicContact CG-CG 3.94Å; L266-Y272 WeakPolarHBondContact O-CB 3.32Å; L266-Y272 WeakPolarHBondContact O-CD1 3.36Å; L269-Y272 WeakPolarHBondContact O-CB 3.46Å; L269-Y272 PolarHBondContact O-N 3.09Å; P270-Y272 VanDerWaalsContact C-N 3.3Å; P270-Y272 PolarHBondContact O-N 3.16Å; Y272-V293 WeakPolarHBondContact CA-O 3.49Å; Y272-V293 HydrophobicContact CD2-CB 4.21Å; Y272-V293 HydrophobicContact CD2-CG1 3.91Å; Y272-K295 HydrophobicContact CE2-CG 4.41Å; Y272-L301 HydrophobicContact CD2-CD1 4.47Å; Y272-L301 HydrophobicContact CE2-CD1 3.89Å |
| 273 | H | 92.8 | Very high | 93 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 13.4 | -173.8 | -69.3 | -106.8 | 0 | 0 | 0 | 114 | Y271 L276 M284 V293 V375 R377 | Y271-H273 PolarHBondContact O-CD2 3.15Å; H273-L276 HydrophobicContact CB-CD1 3.47Å; H273-L276 VanDerWaalsContact CB-CD1 3.47Å; H273-L276 HydrophobicContact CB-CG 4.17Å; H273-M284 WeakPolarHBondContact CE1-CE 3.22Å; H273-M284 VanDerWaalsContact ND1-CE 3.28Å; H273-M284 WeakPolarHBondContact ND1-CE 3.34Å; H273-V293 PolarHBondContact N-O 2.72Å; H273-V375 PolarHBondContact NE2-O 3.02Å; H273-R377 PolarHBondContact CE1-N 3.27Å |
| 274 | G | 89.8 | Confident | 93 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.4 | -140.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y294 K295 | G274-Y294 CarbonylContact O-C 3.55Å; G274-Y294 WeakPolarHBondContact O-CA 3.41Å; G274-K295 PolarHBondContact O-N 2.87Å |
| 275 | K | 91.5 | Very high | 93.1 | Very high | 118 Ų | 118 | 41.9 Ų | 41.9 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 119.5 | -174.7 | -161.2 | 161.9 | -175.2 | 153.2 | 0 | 110.6 | K295 E297 D299 | K275-K295 CarbonylContact C-O 3.58Å; K275-K295 VanDerWaalsContact CA-O 3.3Å; K275-K295 WeakPolarHBondContact CA-O 3.48Å; K275-E297 VanDerWaalsContact CE-CA 3.43Å; K275-E297 WeakPolarHBondContact CE-O 3.42Å; K275-E297 PolarHBondContact NZ-O 2.96Å; K275-D299 IonicContact NZ-OD1 3.55Å; K275-D299 PolarHBondContact NZ-OD1 3.07Å; K275-D299 IonicContact NZ-OD2 3.69Å |
| 276 | L | 93.1 | Very high | 93 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | trans | -140.1 | 153.9 | -179.7 | -66.2 | -180 | 0 | 0 | 0 | 112.1 | H273 T280 A281 M284 L292 Y294 K295 | H273-L276 HydrophobicContact CB-CD1 3.47Å; H273-L276 VanDerWaalsContact CB-CD1 3.47Å; H273-L276 HydrophobicContact CB-CG 4.17Å; L276-T280 HydrophobicContact CD2-CG2 4.14Å; L276-A281 HydrophobicContact CD1-CB 4.3Å; L276-M284 HydrophobicContact CD1-SD 4.12Å; L276-L292 HydrophobicContact CD1-CD1 4.5Å; L276-Y294 HydrophobicContact CB-CD2 3.78Å; L276-Y294 HydrophobicContact CB-CG 4.25Å; L276-Y294 WeakPolarHBondContact O-CD2 3.29Å; L276-Y294 WeakPolarHBondContact O-CE2 3.32Å; L276-K295 PolarHBondContact N-O 3.36Å | ||
| 277 | S | 95.2 | Very high | 92.9 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | trans | -71.8 | 148.7 | 162.3 | 87.6 | 0 | 0 | 0 | 0 | 110.3 | R279 T280 A281 | S277-R279 PolarHBondContact O-N 3.08Å; S277-R279 PolarHBondContact OG-N 3.49Å; S277-T280 PolarHBondContact O-N 2.79Å; S277-T280 PolarHBondContact OG-N 2.79Å; S277-T280 PolarHBondContact OG-OG1 3.46Å; S277-A281 PolarHBondContact O-N 2.96Å | ||
| 278 | G | 95.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -30.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S282 H317 | G278-S282 WeakPolarHBondContact O-CB 3.28Å; G278-S282 PolarHBondContact O-N 2.99Å; G278-S282 PolarHBondContact O-OG 3.39Å; G278-H317 PolarHBondContact O-CE1 3.23Å |
| 279 | R | 95.1 | Very high | 93.4 | Very high | 209 Ų | 209 | 49.7 Ų | 49.7 | 79% | 0.789 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.2 | -48.4 | 175.1 | -179.5 | -180 | -102.5 | 177.5 | -6 | 111.1 | S277 A281 S282 T283 | S277-R279 PolarHBondContact O-N 3.08Å; S277-R279 PolarHBondContact OG-N 3.49Å; R279-A281 PolarHBondContact O-N 3.31Å; R279-S282 WeakPolarHBondContact O-CB 3.32Å; R279-S282 PolarHBondContact O-N 2.95Å; R279-T283 PolarHBondContact O-N 3.43Å; R279-T283 PolarHBondContact O-OG1 2.85Å |
| 280 | T | 95.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 177.8 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | L276 S277 S282 T283 M284 | L276-T280 HydrophobicContact CD2-CG2 4.14Å; S277-T280 PolarHBondContact O-N 2.79Å; S277-T280 PolarHBondContact OG-N 2.79Å; S277-T280 PolarHBondContact OG-OG1 3.46Å; T280-S282 VanDerWaalsContact C-N 3.3Å; T280-S282 PolarHBondContact O-N 2.67Å; T280-T283 WeakPolarHBondContact CA-OG1 3.44Å; T280-T283 PolarHBondContact O-N 3.26Å; T280-T283 VanDerWaalsContact O-N 3.1Å; T280-T283 PolarHBondContact O-OG1 3.01Å; T280-M284 HydrophobicContact CG2-SD 4.48Å; T280-M284 WeakPolarHBondContact O-CG 3.5Å; T280-M284 PolarHBondContact O-N 3.26Å |
| 281 | A | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.7 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L276 S277 R279 T283 M284 L292 Y294 V304 | L276-A281 HydrophobicContact CD1-CB 4.3Å; S277-A281 PolarHBondContact O-N 2.96Å; R279-A281 PolarHBondContact O-N 3.31Å; A281-T283 PolarHBondContact O-N 3.15Å; A281-M284 PolarHBondContact O-N 2.99Å; A281-L292 HydrophobicContact CB-CD1 4.03Å; A281-Y294 HydrophobicContact CB-CD1 3.86Å; A281-Y294 HydrophobicContact CB-CD2 4.31Å; A281-Y294 HydrophobicContact CB-CE1 3.83Å; A281-Y294 HydrophobicContact CB-CE2 4.27Å; A281-Y294 HydrophobicContact CB-CG 4.11Å; A281-V304 HydrophobicContact CB-CG1 4.02Å |
| 282 | S | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | G278 R279 T280 M284 T285 Y315 H317 | G278-S282 WeakPolarHBondContact O-CB 3.28Å; G278-S282 PolarHBondContact O-N 2.99Å; G278-S282 PolarHBondContact O-OG 3.39Å; R279-S282 WeakPolarHBondContact O-CB 3.32Å; R279-S282 PolarHBondContact O-N 2.95Å; T280-S282 VanDerWaalsContact C-N 3.3Å; T280-S282 PolarHBondContact O-N 2.67Å; S282-M284 PolarHBondContact O-N 3.33Å; S282-T285 PolarHBondContact O-N 2.77Å; S282-T285 PolarHBondContact O-OG1 2.89Å; S282-Y315 WeakPolarHBondContact O-CE1 3.33Å; S282-H317 PolarHBondContact OG-CE1 2.99Å; S282-H317 PolarHBondContact OG-NE2 3.11Å |
| 283 | T | 94.2 | Very high | 94.1 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.4 | -25 | -177.9 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | R279 T280 A281 T285 | R279-T283 PolarHBondContact O-N 3.43Å; R279-T283 PolarHBondContact O-OG1 2.85Å; T280-T283 WeakPolarHBondContact CA-OG1 3.44Å; T280-T283 PolarHBondContact O-N 3.26Å; T280-T283 VanDerWaalsContact O-N 3.1Å; T280-T283 PolarHBondContact O-OG1 3.01Å; A281-T283 PolarHBondContact O-N 3.15Å; T283-T285 VanDerWaalsContact C-N 3.33Å |
| 284 | M | 94.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75.9 | -22 | 177.9 | -61.9 | 177.3 | 78.1 | 0 | 0 | 112.8 | H273 L276 T280 A281 S282 L292 V375 | H273-M284 WeakPolarHBondContact CE1-CE 3.22Å; H273-M284 VanDerWaalsContact ND1-CE 3.28Å; H273-M284 WeakPolarHBondContact ND1-CE 3.34Å; L276-M284 HydrophobicContact CD1-SD 4.12Å; T280-M284 HydrophobicContact CG2-SD 4.48Å; T280-M284 WeakPolarHBondContact O-CG 3.5Å; T280-M284 PolarHBondContact O-N 3.26Å; A281-M284 PolarHBondContact O-N 2.99Å; S282-M284 PolarHBondContact O-N 3.33Å; M284-L292 HydrophobicContact CB-CD2 3.84Å; M284-L292 HydrophobicContact SD-CD2 4.32Å; M284-V375 HydrophobicContact CB-CG1 4.32Å |
| 285 | T | 93.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -83.3 | 120.3 | 176.8 | 61 | 0 | 0 | 0 | 0 | 111.2 | S282 T283 D290 L292 V304 K306 Y315 V375 | S282-T285 PolarHBondContact O-N 2.77Å; S282-T285 PolarHBondContact O-OG1 2.89Å; T283-T285 VanDerWaalsContact C-N 3.33Å; T285-D290 HydrophobicContact CG2-CB 4.23Å; T285-L292 HydrophobicContact CG2-CD2 4.38Å; T285-V304 HydrophobicContact CG2-CG1 4.12Å; T285-K306 WeakPolarHBondContact O-CD 3.47Å; T285-K306 PolarHBondContact O-NZ 3.45Å; T285-Y315 WeakPolarHBondContact OG1-CD1 3.27Å; T285-Y315 WeakPolarHBondContact OG1-CE1 3.14Å; T285-V375 HydrophobicContact CG2-CG2 4.13Å | ||
| 286 | T | 89.9 | Confident | 94.5 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | trans | -107.5 | -45.4 | -168.5 | -59.8 | 0 | 0 | 0 | 0 | 113 | D290 K306 | T286-D290 WeakPolarHBondContact CA-OD2 3.47Å; T286-D290 PolarHBondContact N-OD2 3.32Å; T286-K306 VanDerWaalsContact C-NZ 3.29Å; T286-K306 WeakPolarHBondContact O-CE 3.16Å; T286-K306 PolarHBondContact O-NZ 3.46Å | ||
| 287 | N | 91.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -104.5 | 165.7 | -179.1 | -49 | -63.6 | 0 | 0 | 0 | 112.1 | D290 K306 | N287-D290 WeakPolarHBondContact CB-OD1 3.49Å; N287-D290 VanDerWaalsContact N-CG 3.26Å; N287-D290 PolarHBondContact N-OD2 2.94Å; N287-D290 VanDerWaalsContact O-CB 3.25Å; N287-D290 WeakPolarHBondContact O-CB 3.48Å; N287-D290 PolarHBondContact O-N 2.89Å; N287-K306 WeakPolarHBondContact O-CB 3.31Å; N287-K306 WeakPolarHBondContact O-CD 3.46Å |
| 288 | A | 91.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 135.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D290 V308 | A288-D290 PolarHBondContact O-N 3.01Å; A288-V308 HydrophobicContact CB-CB 4.04Å; A288-V308 HydrophobicContact CB-CG2 3.87Å |
| 289 | G | 93.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 0.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K306 T370 V372 N373 | G289-K306 PolarHBondContact N-O 3.06Å; G289-T370 WeakPolarHBondContact CA-O 3.49Å; G289-V372 PolarHBondContact O-N 2.85Å; G289-N373 PolarHBondContact O-N 2.87Å; G289-N373 VanDerWaalsContact O-N 3.14Å |
| 290 | D | 96.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135 | 167.6 | -76.3 | 13.5 | 0 | 0 | 0 | 109.5 | T285 T286 N287 A288 V305 K306 N373 V375 | T285-D290 HydrophobicContact CG2-CB 4.23Å; T286-D290 WeakPolarHBondContact CA-OD2 3.47Å; T286-D290 PolarHBondContact N-OD2 3.32Å; N287-D290 WeakPolarHBondContact CB-OD1 3.49Å; N287-D290 VanDerWaalsContact N-CG 3.26Å; N287-D290 PolarHBondContact N-OD2 2.94Å; N287-D290 VanDerWaalsContact O-CB 3.25Å; N287-D290 WeakPolarHBondContact O-CB 3.48Å; N287-D290 PolarHBondContact O-N 2.89Å; A288-D290 PolarHBondContact O-N 3.01Å; D290-V305 WeakPolarHBondContact O-CA 3.43Å; D290-K306 PolarHBondContact O-N 3.28Å; D290-N373 VanDerWaalsContact CA-O 3.28Å; D290-N373 WeakPolarHBondContact CA-O 3.35Å; D290-N373 WeakPolarHBondContact OD1-CB 3.38Å; D290-N373 PolarHBondContact OD1-ND2 2.86Å; D290-V375 HydrophobicContact CB-CG2 3.84Å |
| 291 | Y | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.4 | -178.7 | 75.3 | -91.4 | 0 | 0 | 0 | 113 | Y271 L303 V304 I346 E350 L371 N373 P374 V375 | Y271-Y291 HydrophobicContact CD1-CE2 4.24Å; Y271-Y291 HydrophobicContact CD2-CE2 4.22Å; Y271-Y291 AromaticContact CG-CE2 3.99Å; Y271-Y291 HydrophobicContact CG-CE2 3.99Å; Y291-L303 HydrophobicContact CD2-CD1 3.78Å; Y291-L303 HydrophobicContact CG-CD1 4.32Å; Y291-V304 WeakPolarHBondContact CA-O 3.45Å; Y291-V304 WeakPolarHBondContact CB-O 3.35Å; Y291-I346 HydrophobicContact CE2-CG2 3.8Å; Y291-E350 HydrophobicContact CE1-CG 4.31Å; Y291-E350 WeakPolarHBondContact CE1-OE1 3.31Å; Y291-E350 PolarHBondContact OH-OE1 3.25Å; Y291-E350 PolarHBondContact OH-OE2 3.24Å; Y291-L371 HydrophobicContact CD1-CB 3.72Å; Y291-L371 HydrophobicContact CD1-CD2 4.03Å; Y291-L371 HydrophobicContact CD1-CG 4.28Å; Y291-L371 HydrophobicContact CD2-CD1 4.41Å; Y291-L371 HydrophobicContact CD2-CD2 4.46Å; Y291-L371 HydrophobicContact CE1-CB 3.85Å; Y291-L371 HydrophobicContact CG-CB 4.34Å; Y291-L371 HydrophobicContact CG-CD1 4.41Å; Y291-L371 HydrophobicContact CG-CD2 3.82Å; Y291-L371 HydrophobicContact CG-CG 4.41Å; Y291-N373 WeakPolarHBondContact CD1-O 3.23Å; Y291-N373 PolarHBondContact N-O 2.95Å; Y291-P374 HydrophobicContact CE1-CB 4Å; Y291-P374 HydrophobicContact CE1-CG 4.44Å; Y291-P374 VanDerWaalsContact CE1-N 3.31Å; Y291-P374 HydrophobicContact CE2-CB 4.13Å; Y291-P374 WeakPolarHBondContact OH-CB 3.42Å; Y291-V375 PolarHBondContact O-N 3.45Å |
| 292 | L | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 160 | 167.8 | 63.2 | 84.8 | 0 | 0 | 0 | 111.1 | L276 A281 M284 T285 Y294 V304 V375 | L276-L292 HydrophobicContact CD1-CD1 4.5Å; A281-L292 HydrophobicContact CB-CD1 4.03Å; M284-L292 HydrophobicContact CB-CD2 3.84Å; M284-L292 HydrophobicContact SD-CD2 4.32Å; T285-L292 HydrophobicContact CG2-CD2 4.38Å; L292-Y294 HydrophobicContact CD1-CD1 3.86Å; L292-Y294 HydrophobicContact CD1-CG 4.29Å; L292-V304 HydrophobicContact CD1-CG1 3.64Å; L292-V304 HydrophobicContact CD2-CG1 4.37Å; L292-V304 HydrophobicContact CG-CG1 3.52Å; L292-V304 PolarHBondContact N-O 3.25Å; L292-V304 VanDerWaalsContact N-O 3.16Å; L292-V304 PolarHBondContact O-N 3.49Å; L292-V375 HydrophobicContact CB-CB 4.24Å; L292-V375 HydrophobicContact CD2-CB 4.16Å; L292-V375 HydrophobicContact CD2-CG1 4.15Å |
| 293 | V | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.6 | 175 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | L266 Y271 Y272 H273 L301 K302 L303 I320 V342 I346 | L266-V293 HydrophobicContact CD1-CG1 4.17Å; Y271-V293 HydrophobicContact CD2-CB 4.33Å; Y271-V293 HydrophobicContact CD2-CG2 3.86Å; Y271-V293 HydrophobicContact CE2-CG2 4.03Å; Y271-V293 PolarHBondContact O-N 3.38Å; Y272-V293 WeakPolarHBondContact CA-O 3.49Å; Y272-V293 HydrophobicContact CD2-CB 4.21Å; Y272-V293 HydrophobicContact CD2-CG1 3.91Å; H273-V293 PolarHBondContact N-O 2.72Å; V293-L301 HydrophobicContact CG1-CD1 3.64Å; V293-L301 HydrophobicContact CG1-CD2 4.47Å; V293-L301 HydrophobicContact CG1-CG 4.04Å; V293-K302 WeakPolarHBondContact CA-O 3.4Å; V293-L303 HydrophobicContact CG2-CD1 4.08Å; V293-I320 HydrophobicContact CG1-CD1 3.84Å; V293-I320 HydrophobicContact CG2-CD1 4.18Å; V293-V342 HydrophobicContact CG1-CG1 4.46Å; V293-I346 HydrophobicContact CG2-CD1 4.15Å; V293-I346 HydrophobicContact CG2-CG1 4.22Å |
| 294 | Y | 95.7 | Very high | 94 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159.7 | 178.6 | 72.7 | -74.1 | 0 | 0 | 0 | 111.1 | G274 L276 A281 L292 T296 K302 V304 H317 | G274-Y294 CarbonylContact O-C 3.55Å; G274-Y294 WeakPolarHBondContact O-CA 3.41Å; L276-Y294 HydrophobicContact CB-CD2 3.78Å; L276-Y294 HydrophobicContact CB-CG 4.25Å; L276-Y294 WeakPolarHBondContact O-CD2 3.29Å; L276-Y294 WeakPolarHBondContact O-CE2 3.32Å; A281-Y294 HydrophobicContact CB-CD1 3.86Å; A281-Y294 HydrophobicContact CB-CD2 4.31Å; A281-Y294 HydrophobicContact CB-CE1 3.83Å; A281-Y294 HydrophobicContact CB-CE2 4.27Å; A281-Y294 HydrophobicContact CB-CG 4.11Å; L292-Y294 HydrophobicContact CD1-CD1 3.86Å; L292-Y294 HydrophobicContact CD1-CG 4.29Å; Y294-T296 HydrophobicContact CE2-CG2 3.96Å; Y294-K302 HydrophobicContact CD1-CB 4.24Å; Y294-K302 WeakPolarHBondContact CD1-O 3.41Å; Y294-K302 HydrophobicContact CE1-CB 3.63Å; Y294-K302 PolarHBondContact N-O 2.94Å; Y294-K302 PolarHBondContact O-N 2.86Å; Y294-K302 WeakPolarHBondContact OH-CD 3.41Å; Y294-V304 HydrophobicContact CD1-CG1 4.47Å; Y294-V304 HydrophobicContact CE1-CB 4.17Å; Y294-V304 HydrophobicContact CE1-CG1 4.36Å; Y294-H317 AromaticContact CE1-ND1 3.75Å; Y294-H317 AromaticContact CZ-ND1 3.65Å; Y294-H317 PolarHBondContact OH-CE1 2.82Å; Y294-H317 PolarHBondContact OH-ND1 3.46Å |
| 295 | K | 93.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 10% | 0.1 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.4 | 166.3 | -82.3 | -169.9 | 167.2 | -147.2 | 0 | 110.1 | Y211 Y272 G274 K275 L276 Q300 L301 | Y211-K295 WeakPolarHBondContact O-CE 3.23Å; Y211-K295 PolarHBondContact O-NZ 3.03Å; Y272-K295 HydrophobicContact CE2-CG 4.41Å; G274-K295 PolarHBondContact O-N 2.87Å; K275-K295 CarbonylContact C-O 3.58Å; K275-K295 VanDerWaalsContact CA-O 3.3Å; K275-K295 WeakPolarHBondContact CA-O 3.48Å; L276-K295 PolarHBondContact N-O 3.36Å; K295-Q300 CarbonylContact C-O 3.51Å; K295-Q300 WeakPolarHBondContact CA-O 3.3Å; K295-L301 HydrophobicContact CG-CD1 3.92Å |
| 296 | T | 93.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -69.9 | 170.7 | 170.1 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | Y294 N298 D299 Q300 K302 | Y294-T296 HydrophobicContact CE2-CG2 3.96Å; T296-N298 PolarHBondContact O-N 2.97Å; T296-N298 PolarHBondContact OG1-N 2.87Å; T296-D299 PolarHBondContact O-N 2.94Å; T296-Q300 HydrophobicContact CG2-CB 4.37Å; T296-Q300 PolarHBondContact N-O 2.81Å; T296-Q300 WeakPolarHBondContact OG1-CB 3.43Å; T296-Q300 PolarHBondContact OG1-N 2.66Å; T296-Q300 VanDerWaalsContact OG1-N 3.14Å; T296-Q300 PolarHBondContact OG1-O 3.28Å; T296-K302 HydrophobicContact CG2-CD 3.5Å; T296-K302 VanDerWaalsContact CG2-CD 3.5Å; T296-K302 VanDerWaalsContact CG2-CE 3.43Å; T296-K302 HydrophobicContact CG2-CG 4.01Å | ||
| 297 | E | 89.1 | Confident | 94 | Very high | 133 Ų | 133 | 36 Ų | 36 | 62% | 0.621 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31 | 172.3 | -70.6 | 168.2 | -163.3 | 0 | 0 | 113 | K275 D299 | K275-E297 VanDerWaalsContact CE-CA 3.43Å; K275-E297 WeakPolarHBondContact CE-O 3.42Å; K275-E297 PolarHBondContact NZ-O 2.96Å; E297-D299 VanDerWaalsContact C-N 3.3Å; E297-D299 PolarHBondContact O-N 3.32Å |
| 298 | N | 89.9 | Confident | 93.3 | Very high | 135 Ų | 135 | 34.7 Ų | 34.7 | 72% | 0.722 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 20.5 | 176.9 | -60.2 | -28.8 | 0 | 0 | 0 | 113.3 | T296 Q300 | T296-N298 PolarHBondContact O-N 2.97Å; T296-N298 PolarHBondContact OG1-N 2.87Å; N298-Q300 PolarHBondContact O-N 3.22Å |
| 299 | D | 88.6 | Confident | 92.3 | Very high | 77 Ų | 77 | 33.8 Ų | 33.8 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 59.1 | 13 | 178.8 | -61.1 | -38.4 | 0 | 0 | 0 | 116.5 | K275 T296 E297 | K275-D299 IonicContact NZ-OD1 3.55Å; K275-D299 PolarHBondContact NZ-OD1 3.07Å; K275-D299 IonicContact NZ-OD2 3.69Å; T296-D299 PolarHBondContact O-N 2.94Å; E297-D299 VanDerWaalsContact C-N 3.3Å; E297-D299 PolarHBondContact O-N 3.32Å |
| 300 | Q | 93.1 | Very high | 91.1 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | trans | -72.3 | 130.6 | 169.1 | -63.1 | -177 | -18.4 | 0 | 0 | 110.8 | K295 T296 N298 | K295-Q300 CarbonylContact C-O 3.51Å; K295-Q300 WeakPolarHBondContact CA-O 3.3Å; T296-Q300 HydrophobicContact CG2-CB 4.37Å; T296-Q300 PolarHBondContact N-O 2.81Å; T296-Q300 WeakPolarHBondContact OG1-CB 3.43Å; T296-Q300 PolarHBondContact OG1-N 2.66Å; T296-Q300 VanDerWaalsContact OG1-N 3.14Å; T296-Q300 PolarHBondContact OG1-O 3.28Å; N298-Q300 PolarHBondContact O-N 3.22Å | ||
| 301 | L | 95.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.9 | 175.8 | -167.7 | 69 | 0 | 0 | 0 | 110.4 | L266 Y272 V293 K295 I320 F328 V342 | L266-L301 HydrophobicContact CD2-CD1 3.83Å; L266-L301 HydrophobicContact CD2-CD2 4.1Å; Y272-L301 HydrophobicContact CD2-CD1 4.47Å; Y272-L301 HydrophobicContact CE2-CD1 3.89Å; V293-L301 HydrophobicContact CG1-CD1 3.64Å; V293-L301 HydrophobicContact CG1-CD2 4.47Å; V293-L301 HydrophobicContact CG1-CG 4.04Å; K295-L301 HydrophobicContact CG-CD1 3.92Å; L301-I320 HydrophobicContact CB-CB 4.27Å; L301-I320 HydrophobicContact CD2-CB 3.88Å; L301-I320 HydrophobicContact CD2-CD1 4.08Å; L301-I320 HydrophobicContact CD2-CG2 3.74Å; L301-I320 HydrophobicContact CG-CB 4.04Å; L301-I320 HydrophobicContact CG-CD1 4.08Å; L301-I320 HydrophobicContact CG-CG2 4.45Å; L301-I320 PolarHBondContact O-N 2.83Å; L301-F328 HydrophobicContact CD2-CE1 4.43Å; L301-V342 HydrophobicContact CD2-CG1 4.48Å; L301-V342 HydrophobicContact CD2-CG2 3.62Å |
| 302 | K | 97.1 | Very high | 88.5 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149 | -179.7 | -68.4 | -175.2 | -176.3 | -91.5 | 0 | 111.9 | V293 Y294 T296 H317 F318 D319 | V293-K302 WeakPolarHBondContact CA-O 3.4Å; Y294-K302 HydrophobicContact CD1-CB 4.24Å; Y294-K302 WeakPolarHBondContact CD1-O 3.41Å; Y294-K302 HydrophobicContact CE1-CB 3.63Å; Y294-K302 PolarHBondContact N-O 2.94Å; Y294-K302 PolarHBondContact O-N 2.86Å; Y294-K302 WeakPolarHBondContact OH-CD 3.41Å; T296-K302 HydrophobicContact CG2-CD 3.5Å; T296-K302 VanDerWaalsContact CG2-CD 3.5Å; T296-K302 VanDerWaalsContact CG2-CE 3.43Å; T296-K302 HydrophobicContact CG2-CG 4.01Å; K302-H317 HydrophobicContact CD-CB 4.37Å; K302-F318 CarbonylContact C-O 3.56Å; K302-F318 WeakPolarHBondContact CA-O 3.24Å; K302-D319 IonicContact NZ-OD1 2.82Å; K302-D319 PolarHBondContact NZ-OD1 2.72Å |
| 303 | L | 97.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.3 | 166.5 | 172 | 67.5 | 0 | 0 | 0 | 107.9 | Y291 V293 V305 H317 F318 I320 I330 I346 L356 L371 | Y291-L303 HydrophobicContact CD2-CD1 3.78Å; Y291-L303 HydrophobicContact CG-CD1 4.32Å; V293-L303 HydrophobicContact CG2-CD1 4.08Å; L303-V305 HydrophobicContact CD1-CG2 4.35Å; L303-V305 HydrophobicContact CD2-CG2 4.1Å; L303-V305 HydrophobicContact CG-CG2 3.89Å; L303-H317 CarbonylContact O-C 3.59Å; L303-H317 WeakPolarHBondContact O-CA 3.12Å; L303-F318 HydrophobicContact CB-CB 4.41Å; L303-F318 PolarHBondContact N-O 2.85Å; L303-F318 PolarHBondContact O-N 3.36Å; L303-I320 HydrophobicContact CB-CD1 4.06Å; L303-I320 HydrophobicContact CB-CG1 4.27Å; L303-I330 HydrophobicContact CD2-CD1 3.64Å; L303-I346 HydrophobicContact CD1-CD1 4.06Å; L303-I346 HydrophobicContact CD2-CD1 4.07Å; L303-L356 HydrophobicContact CD2-CD1 3.86Å; L303-L371 HydrophobicContact CD1-CD2 4.43Å; L303-L371 HydrophobicContact CD2-CD1 4.25Å; L303-L371 HydrophobicContact CD2-CD2 4.12Å |
| 304 | V | 97.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.2 | 167.3 | 63.8 | 0 | 0 | 0 | 0 | 109.3 | A281 T285 Y291 L292 Y294 Y316 H317 | A281-V304 HydrophobicContact CB-CG1 4.02Å; T285-V304 HydrophobicContact CG2-CG1 4.12Å; Y291-V304 WeakPolarHBondContact CA-O 3.45Å; Y291-V304 WeakPolarHBondContact CB-O 3.35Å; L292-V304 HydrophobicContact CD1-CG1 3.64Å; L292-V304 HydrophobicContact CD2-CG1 4.37Å; L292-V304 HydrophobicContact CG-CG1 3.52Å; L292-V304 PolarHBondContact N-O 3.25Å; L292-V304 VanDerWaalsContact N-O 3.16Å; L292-V304 PolarHBondContact O-N 3.49Å; Y294-V304 HydrophobicContact CD1-CG1 4.47Å; Y294-V304 HydrophobicContact CE1-CB 4.17Å; Y294-V304 HydrophobicContact CE1-CG1 4.36Å; V304-Y316 CarbonylContact C-O 3.59Å; V304-Y316 VanDerWaalsContact CA-O 3.3Å; V304-Y316 WeakPolarHBondContact CA-O 3.49Å; V304-H317 VanDerWaalsContact CG2-CE1 3.42Å; V304-H317 WeakPolarHBondContact CG2-CE1 3.41Å |
| 305 | V | 96.5 | Very high | 87 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.9 | 173.7 | -168.4 | 0 | 0 | 0 | 0 | 109 | D290 L303 Y316 F318 V369 L371 | D290-V305 WeakPolarHBondContact O-CA 3.43Å; L303-V305 HydrophobicContact CD1-CG2 4.35Å; L303-V305 HydrophobicContact CD2-CG2 4.1Å; L303-V305 HydrophobicContact CG-CG2 3.89Å; V305-Y316 PolarHBondContact N-O 3.16Å; V305-Y316 PolarHBondContact O-N 3.45Å; V305-F318 HydrophobicContact CB-CE2 4.33Å; V305-F318 HydrophobicContact CG2-CD2 4.15Å; V305-F318 HydrophobicContact CG2-CE2 3.96Å; V305-V369 HydrophobicContact CB-CG2 4.12Å; V305-V369 HydrophobicContact CG1-CB 4.03Å; V305-V369 HydrophobicContact CG1-CG2 4.02Å; V305-V369 HydrophobicContact CG2-CG2 4.46Å; V305-L371 HydrophobicContact CB-CD2 4.37Å; V305-L371 HydrophobicContact CG1-CD2 4.03Å; V305-L371 HydrophobicContact CG2-CD2 3.37Å |
| 306 | K | 93.5 | Very high | 87 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.3 | 173.9 | -177.2 | 169.7 | -169.9 | 172 | 0 | 111.6 | T285 T286 N287 G289 D290 V308 Y315 | T285-K306 WeakPolarHBondContact O-CD 3.47Å; T285-K306 PolarHBondContact O-NZ 3.45Å; T286-K306 VanDerWaalsContact C-NZ 3.29Å; T286-K306 WeakPolarHBondContact O-CE 3.16Å; T286-K306 PolarHBondContact O-NZ 3.46Å; N287-K306 WeakPolarHBondContact O-CB 3.31Å; N287-K306 WeakPolarHBondContact O-CD 3.46Å; G289-K306 PolarHBondContact N-O 3.06Å; D290-K306 PolarHBondContact O-N 3.28Å; K306-V308 HydrophobicContact CG-CG2 4.49Å; K306-Y315 HydrophobicContact CB-CD1 4.33Å; K306-Y315 HydrophobicContact CB-CE1 4.41Å; K306-Y315 HydrophobicContact CD-CE1 3.87Å; K306-Y315 HydrophobicContact CG-CD1 4.3Å; K306-Y315 HydrophobicContact CG-CE1 4.05Å |
| 307 | Q | 87.4 | Confident | 87.1 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 23% | 0.229 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.6 | 166.7 | -173.5 | 62.3 | 29.3 | 0 | 0 | 109.3 | F314 Y316 V369 | Q307-F314 HydrophobicContact CB-CB 4.34Å; Q307-F314 PolarHBondContact N-O 2.91Å; Q307-F314 PolarHBondContact O-N 3.45Å; Q307-Y316 HydrophobicContact CB-CD2 4.35Å; Q307-Y316 HydrophobicContact CB-CE2 3.87Å; Q307-V369 HydrophobicContact CB-CG1 3.7Å; Q307-V369 HydrophobicContact CG-CG1 4.05Å |
| 308 | V | 76.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.1 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | A288 K306 | A288-V308 HydrophobicContact CB-CB 4.04Å; A288-V308 HydrophobicContact CB-CG2 3.87Å; K306-V308 HydrophobicContact CG-CG2 4.49Å |
| 309 | G | 69.9 | Low | 87.8 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | trans | -83 | 178.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H311 E312 | G309-H311 PolarHBondContact O-N 2.99Å; G309-E312 WeakPolarHBondContact CA-O 3.48Å; G309-E312 PolarHBondContact N-O 2.88Å | ||
| 310 | K | 67.6 | Low | 88.2 | Confident | 201 Ų | 201 | 59 Ų | 59 | 87% | 0.874 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -60.1 | -31.5 | 179.5 | -74.4 | -174.4 | 175.8 | -177.3 | 0 | 113.7 | ||
| 311 | H | 66.8 | Low | 88.4 | Confident | 182 Ų | 182 | 60.3 Ų | 60.3 | 84% | 0.843 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -133.5 | -7.6 | -173.8 | -58.4 | -57.8 | 0 | 0 | 0 | 114.1 | G309 | G309-H311 PolarHBondContact O-N 2.99Š|
| 312 | E | 73.2 | Confident | 88.2 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | trans | -142 | 152.6 | -173 | -72.7 | -175.8 | 169.4 | 0 | 0 | 111.6 | G309 F314 | G309-E312 WeakPolarHBondContact CA-O 3.48Å; G309-E312 PolarHBondContact N-O 2.88Å; E312-F314 HydrophobicContact CB-CD2 4.45Å; E312-F314 HydrophobicContact CB-CE1 4.35Å; E312-F314 HydrophobicContact CB-CE2 3.66Å; E312-F314 HydrophobicContact CB-CZ 3.61Å; E312-F314 HydrophobicContact CG-CZ 4.49Å; E312-F314 WeakPolarHBondContact OE2-CE1 3.48Å; E312-F314 WeakPolarHBondContact OE2-CZ 3.49Å | ||
| 313 | K | 81.2 | Confident | 88 | Confident | 138 Ų | 138 | 62.4 Ų | 62.4 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.6 | 172.8 | -63.7 | 174.3 | -176.6 | 173.5 | 0 | 107.7 | Y315 | K313-Y315 HydrophobicContact CB-CE2 4.13Å |
| 314 | F | 87 | Confident | 87.6 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 21% | 0.211 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.1 | 176.4 | -57.7 | -84.2 | 0 | 0 | 0 | 109.6 | Q307 E312 Y316 H367 | Q307-F314 HydrophobicContact CB-CB 4.34Å; Q307-F314 PolarHBondContact N-O 2.91Å; Q307-F314 PolarHBondContact O-N 3.45Å; E312-F314 HydrophobicContact CB-CD2 4.45Å; E312-F314 HydrophobicContact CB-CE1 4.35Å; E312-F314 HydrophobicContact CB-CE2 3.66Å; E312-F314 HydrophobicContact CB-CZ 3.61Å; E312-F314 HydrophobicContact CG-CZ 4.49Å; E312-F314 WeakPolarHBondContact OE2-CE1 3.48Å; E312-F314 WeakPolarHBondContact OE2-CZ 3.49Å; F314-Y316 HydrophobicContact CB-CE1 4.48Å; F314-Y316 HydrophobicContact CB-CE2 3.7Å; F314-Y316 WeakPolarHBondContact CB-OH 3.28Å; F314-H367 AromaticContact CD2-CE1 3.57Å; F314-H367 AromaticContact CD2-ND1 3.66Å; F314-H367 AromaticContact CE2-CE1 3.37Å; F314-H367 WeakPolarHBondContact CE2-CE1 2.89Å; F314-H367 AromaticContact CE2-ND1 3.96Å; F314-H367 AromaticContact CZ-CE1 3.87Å |
| 315 | Y | 91.7 | Very high | 87.2 | Confident | 80 Ų | 80 | 75.6 Ų | 75.6 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.7 | 176.1 | -56.3 | -86.7 | 0 | 0 | 0 | 107.5 | S282 T285 K306 K313 | S282-Y315 WeakPolarHBondContact O-CE1 3.33Å; T285-Y315 WeakPolarHBondContact OG1-CD1 3.27Å; T285-Y315 WeakPolarHBondContact OG1-CE1 3.14Å; K306-Y315 HydrophobicContact CB-CD1 4.33Å; K306-Y315 HydrophobicContact CB-CE1 4.41Å; K306-Y315 HydrophobicContact CD-CE1 3.87Å; K306-Y315 HydrophobicContact CG-CD1 4.3Å; K306-Y315 HydrophobicContact CG-CE1 4.05Å; K313-Y315 HydrophobicContact CB-CE2 4.13Å |
| 316 | Y | 93.7 | Very high | 86.8 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 6% | 0.059 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.9 | 179.7 | -61.7 | -69.2 | 0 | 0 | 0 | 109.6 | V304 V305 Q307 F314 F318 N359 H367 V369 | V304-Y316 CarbonylContact C-O 3.59Å; V304-Y316 VanDerWaalsContact CA-O 3.3Å; V304-Y316 WeakPolarHBondContact CA-O 3.49Å; V305-Y316 PolarHBondContact N-O 3.16Å; V305-Y316 PolarHBondContact O-N 3.45Å; Q307-Y316 HydrophobicContact CB-CD2 4.35Å; Q307-Y316 HydrophobicContact CB-CE2 3.87Å; F314-Y316 HydrophobicContact CB-CE1 4.48Å; F314-Y316 HydrophobicContact CB-CE2 3.7Å; F314-Y316 WeakPolarHBondContact CB-OH 3.28Å; Y316-F318 VanDerWaalsContact CB-CE2 3.43Å; Y316-F318 HydrophobicContact CG-CZ 4.26Å; Y316-N359 HydrophobicContact CE1-CB 4.04Å; Y316-H367 HydrophobicContact CE2-CB 3.98Å; Y316-H367 WeakPolarHBondContact OH-CB 3.38Å; Y316-H367 PolarHBondContact OH-ND1 2.87Å; Y316-V369 HydrophobicContact CD2-CG1 3.52Å; Y316-V369 HydrophobicContact CE2-CG1 3.72Å |
| 317 | H | 95.7 | Very high | 86.8 | Confident | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.296 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 108.4 | 177.7 | -65.1 | -96.5 | 0 | 0 | 0 | 109 | G278 S282 Y294 K302 L303 V304 | G278-H317 PolarHBondContact O-CE1 3.23Å; S282-H317 PolarHBondContact OG-CE1 2.99Å; S282-H317 PolarHBondContact OG-NE2 3.11Å; Y294-H317 AromaticContact CE1-ND1 3.75Å; Y294-H317 AromaticContact CZ-ND1 3.65Å; Y294-H317 PolarHBondContact OH-CE1 2.82Å; Y294-H317 PolarHBondContact OH-ND1 3.46Å; K302-H317 HydrophobicContact CD-CB 4.37Å; L303-H317 CarbonylContact O-C 3.59Å; L303-H317 WeakPolarHBondContact O-CA 3.12Å; V304-H317 VanDerWaalsContact CG2-CE1 3.42Å; V304-H317 WeakPolarHBondContact CG2-CE1 3.41Å |
| 318 | F | 96.5 | Very high | 87.2 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134 | 179 | -57.4 | -81.1 | 0 | 0 | 0 | 110 | K302 L303 V305 Y316 I330 L356 S357 V369 | K302-F318 CarbonylContact C-O 3.56Å; K302-F318 WeakPolarHBondContact CA-O 3.24Å; L303-F318 HydrophobicContact CB-CB 4.41Å; L303-F318 PolarHBondContact N-O 2.85Å; L303-F318 PolarHBondContact O-N 3.36Å; V305-F318 HydrophobicContact CB-CE2 4.33Å; V305-F318 HydrophobicContact CG2-CD2 4.15Å; V305-F318 HydrophobicContact CG2-CE2 3.96Å; Y316-F318 VanDerWaalsContact CB-CE2 3.43Å; Y316-F318 HydrophobicContact CG-CZ 4.26Å; F318-I330 HydrophobicContact CB-CG2 3.8Å; F318-I330 HydrophobicContact CD1-CG2 4.31Å; F318-I330 HydrophobicContact CG-CG2 4.28Å; F318-L356 HydrophobicContact CD1-CD1 4.45Å; F318-L356 HydrophobicContact CD1-CD2 4.49Å; F318-L356 HydrophobicContact CD2-CD1 3.77Å; F318-L356 HydrophobicContact CE1-CB 3.84Å; F318-L356 HydrophobicContact CE1-CD1 4.48Å; F318-L356 HydrophobicContact CE2-CB 4Å; F318-L356 HydrophobicContact CE2-CD1 3.79Å; F318-L356 HydrophobicContact CG-CD1 4.1Å; F318-L356 HydrophobicContact CZ-CB 3.55Å; F318-L356 HydrophobicContact CZ-CD1 4.17Å; F318-L356 HydrophobicContact CZ-CG 4.4Å; F318-S357 WeakPolarHBondContact CE1-O 3.36Å; F318-V369 HydrophobicContact CE2-CG2 3.87Å; F318-V369 HydrophobicContact CZ-CG2 3.84Å |
| 319 | D | 96.4 | Very high | 88.2 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129 | 172 | -58.5 | -32.9 | 0 | 0 | 0 | 109.8 | K302 R321 | K302-D319 IonicContact NZ-OD1 2.82Å; K302-D319 PolarHBondContact NZ-OD1 2.72Å; D319-R321 HydrophobicContact CB-CG 3.92Å; D319-R321 IonicContact OD2-CZ 3.61Å; D319-R321 IonicContact OD2-NE 3.54Å; D319-R321 IonicContact OD2-NH2 2.81Å; D319-R321 PolarHBondContact OD2-NH2 3.46Å |
| 320 | I | 97.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | trans | -92.5 | 113.8 | 164.6 | -61.5 | 167.1 | 0 | 0 | 0 | 106.5 | V293 L301 L303 F328 I330 V342 L345 | V293-I320 HydrophobicContact CG1-CD1 3.84Å; V293-I320 HydrophobicContact CG2-CD1 4.18Å; L301-I320 HydrophobicContact CB-CB 4.27Å; L301-I320 HydrophobicContact CD2-CB 3.88Å; L301-I320 HydrophobicContact CD2-CD1 4.08Å; L301-I320 HydrophobicContact CD2-CG2 3.74Å; L301-I320 HydrophobicContact CG-CB 4.04Å; L301-I320 HydrophobicContact CG-CD1 4.08Å; L301-I320 HydrophobicContact CG-CG2 4.45Å; L301-I320 PolarHBondContact O-N 2.83Å; L303-I320 HydrophobicContact CB-CD1 4.06Å; L303-I320 HydrophobicContact CB-CG1 4.27Å; I320-F328 HydrophobicContact CG2-CB 4.41Å; I320-F328 HydrophobicContact CG2-CD1 3.87Å; I320-I330 HydrophobicContact CG1-CD1 4.2Å; I320-I330 HydrophobicContact CG1-CG1 3.88Å; I320-V342 HydrophobicContact CD1-CG1 4.18Å; I320-L345 HydrophobicContact CG2-CD2 3.89Å | ||
| 321 | R | 96 | Very high | 90.8 | Very high | 132 Ų | 132 | 68.1 Ų | 68.1 | 50% | 0.498 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 162.1 | -172.9 | -61.1 | 177.8 | -174 | 172.8 | 3.1 | 110.6 | D319 F328 F329 | D319-R321 HydrophobicContact CB-CG 3.92Å; D319-R321 IonicContact OD2-CZ 3.61Å; D319-R321 IonicContact OD2-NE 3.54Å; D319-R321 IonicContact OD2-NH2 2.81Å; D319-R321 PolarHBondContact OD2-NH2 3.46Å; R321-F328 CarbonylContact O-C 3.59Å; R321-F328 VanDerWaalsContact O-CA 3.28Å; R321-F328 WeakPolarHBondContact O-CA 3.18Å; R321-F329 HydrophobicContact CB-CD1 4.35Å; R321-F329 HydrophobicContact CB-CD2 4.3Å; R321-F329 HydrophobicContact CB-CE1 3.83Å; R321-F329 HydrophobicContact CB-CE2 3.78Å; R321-F329 HydrophobicContact CB-CZ 3.51Å; R321-F329 HydrophobicContact CG-CE2 4.46Å; R321-F329 HydrophobicContact CG-CZ 4.49Å; R321-F329 PolarHBondContact N-O 3.36Å; R321-F329 PolarHBondContact O-N 3.41Å |
| 322 | K | 93.2 | Very high | 92 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.8 | 171.5 | -74.3 | -176.5 | 170.8 | -172.5 | 0 | 111.7 | K214 H327 F328 F329 | K214-K322 VanDerWaalsContact N-NZ 3.15Å; K214-K322 WeakPolarHBondContact O-CE 3.47Å; K214-K322 PolarHBondContact O-NZ 2.87Å; K322-H327 WeakPolarHBondContact CA-O 3.35Å; K322-F328 HydrophobicContact CD-CE1 4.17Å; K322-F328 HydrophobicContact CD-CZ 4.26Å; K322-F328 HydrophobicContact CG-CD1 3.87Å; K322-F328 HydrophobicContact CG-CE1 3.87Å; K322-F328 HydrophobicContact CG-CG 4.36Å; K322-F328 HydrophobicContact CG-CZ 4.33Å; K322-F329 VanDerWaalsContact C-CE1 3.44Å |
| 323 | D | 92.3 | Very high | 93 | Very high | 31 Ų | 31 | 65.4 Ų | 65.4 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | trans | -88.1 | -178.5 | 167.7 | 76.3 | 6.4 | 0 | 0 | 0 | 111.3 | Y325 N326 H327 F329 | D323-Y325 PolarHBondContact O-N 2.96Å; D323-Y325 VanDerWaalsContact OD1-C 3.32Å; D323-Y325 VanDerWaalsContact OD1-CA 3.31Å; D323-Y325 WeakPolarHBondContact OD1-CA 3.17Å; D323-Y325 WeakPolarHBondContact OD1-CB 3.19Å; D323-Y325 PolarHBondContact OD1-N 3.45Å; D323-N326 PolarHBondContact O-N 2.95Å; D323-N326 PolarHBondContact OD1-N 3.44Å; D323-N326 VanDerWaalsContact OD1-N 3.14Å; D323-H327 PolarHBondContact N-O 3.05Å; D323-H327 IonicContact OD1-CG 2.7Å; D323-H327 PolarHBondContact OD1-N 3.21Å; D323-H327 IonicContact OD1-ND1 3.23Å; D323-H327 IonicContact OD2-ND1 3.81Å; D323-H327 PolarHBondContact OD2-ND1 3.27Å; D323-F329 HydrophobicContact CB-CD1 4.49Å; D323-F329 HydrophobicContact CB-CE1 4.09Å | ||
| 324 | K | 89.5 | Confident | 93.7 | Very high | 174 Ų | 174 | 58.9 Ų | 58.9 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.3 | 179.5 | 66.9 | -180 | -176.9 | 170.6 | 0 | 114.2 | ||
| 325 | Y | 87.8 | Confident | 94 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 12 | 178.2 | -56.3 | -70.7 | 0 | 0 | 0 | 111.9 | L200 D323 H327 | L200-Y325 HydrophobicContact CD1-CD1 4.15Å; L200-Y325 HydrophobicContact CD1-CG 4.22Å; D323-Y325 PolarHBondContact O-N 2.96Å; D323-Y325 VanDerWaalsContact OD1-C 3.32Å; D323-Y325 VanDerWaalsContact OD1-CA 3.31Å; D323-Y325 WeakPolarHBondContact OD1-CA 3.17Å; D323-Y325 WeakPolarHBondContact OD1-CB 3.19Å; D323-Y325 PolarHBondContact OD1-N 3.45Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.39Å |
| 326 | N | 88.5 | Confident | 94.1 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 67.8 | 13.6 | -176.1 | -62.8 | -56.8 | 0 | 0 | 0 | 116.1 | D323 | D323-N326 PolarHBondContact O-N 2.95Å; D323-N326 PolarHBondContact OD1-N 3.44Å; D323-N326 VanDerWaalsContact OD1-N 3.14Å |
| 327 | H | 93.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | trans | -79.4 | 137.9 | 174.6 | -54 | 114.6 | 0 | 0 | 0 | 111.7 | K322 D323 Y325 R338 F339 | K322-H327 WeakPolarHBondContact CA-O 3.35Å; D323-H327 PolarHBondContact N-O 3.05Å; D323-H327 IonicContact OD1-CG 2.7Å; D323-H327 PolarHBondContact OD1-N 3.21Å; D323-H327 IonicContact OD1-ND1 3.23Å; D323-H327 IonicContact OD2-ND1 3.81Å; D323-H327 PolarHBondContact OD2-ND1 3.27Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.39Å; H327-R338 PolarHBondContact CD2-O 3.41Å; H327-F339 CarbonylContact C-O 3.52Å; H327-F339 WeakPolarHBondContact CA-O 3.34Å; H327-F339 WeakPolarHBondContact CB-O 3.4Å | ||
| 328 | F | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 70.8 Ų | 70.8 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 141.3 | -178.9 | -65.3 | -95.2 | 0 | 0 | 0 | 112.2 | P213 E215 L301 I320 R321 K322 F339 G340 V342 L345 | P213-F328 HydrophobicContact CB-CE1 4.01Å; P213-F328 HydrophobicContact CB-CZ 3.91Å; P213-F328 HydrophobicContact CG-CE1 4.01Å; P213-F328 HydrophobicContact CG-CZ 4.02Å; E215-F328 HydrophobicContact CG-CE2 3.7Å; E215-F328 HydrophobicContact CG-CZ 3.7Å; L301-F328 HydrophobicContact CD2-CE1 4.43Å; I320-F328 HydrophobicContact CG2-CB 4.41Å; I320-F328 HydrophobicContact CG2-CD1 3.87Å; R321-F328 CarbonylContact O-C 3.59Å; R321-F328 VanDerWaalsContact O-CA 3.28Å; R321-F328 WeakPolarHBondContact O-CA 3.18Å; K322-F328 HydrophobicContact CD-CE1 4.17Å; K322-F328 HydrophobicContact CD-CZ 4.26Å; K322-F328 HydrophobicContact CG-CD1 3.87Å; K322-F328 HydrophobicContact CG-CE1 3.87Å; K322-F328 HydrophobicContact CG-CG 4.36Å; K322-F328 HydrophobicContact CG-CZ 4.33Å; F328-F339 PolarHBondContact N-O 2.9Å; F328-G340 WeakPolarHBondContact CD2-O 3.49Å; F328-G340 VanDerWaalsContact CE2-O 3.25Å; F328-G340 WeakPolarHBondContact CE2-O 3.31Å; F328-V342 HydrophobicContact CD1-CG2 3.62Å; F328-V342 HydrophobicContact CE1-CG2 3.46Å; F328-V342 VanDerWaalsContact CE1-CG2 3.46Å; F328-V342 HydrophobicContact CE2-CG2 4.45Å; F328-V342 HydrophobicContact CG-CG2 4.13Å; F328-V342 HydrophobicContact CZ-CG2 3.88Å; F328-L345 HydrophobicContact CB-CD2 3.95Å |
| 329 | F | 97.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 151.1 | 176.7 | 66.2 | -86.1 | 0 | 0 | 0 | 112 | R321 K322 D323 L332 D334 K335 | R321-F329 HydrophobicContact CB-CD1 4.35Å; R321-F329 HydrophobicContact CB-CD2 4.3Å; R321-F329 HydrophobicContact CB-CE1 3.83Å; R321-F329 HydrophobicContact CB-CE2 3.78Å; R321-F329 HydrophobicContact CB-CZ 3.51Å; R321-F329 HydrophobicContact CG-CE2 4.46Å; R321-F329 HydrophobicContact CG-CZ 4.49Å; R321-F329 PolarHBondContact N-O 3.36Å; R321-F329 PolarHBondContact O-N 3.41Å; K322-F329 VanDerWaalsContact C-CE1 3.44Å; D323-F329 HydrophobicContact CB-CD1 4.49Å; D323-F329 HydrophobicContact CB-CE1 4.09Å; F329-L332 HydrophobicContact CE2-CD2 4.42Å; F329-D334 HydrophobicContact CB-CB 3.93Å; F329-K335 HydrophobicContact CB-CG 4.08Å; F329-K335 HydrophobicContact CD1-CD 4.37Å; F329-K335 HydrophobicContact CD1-CG 3.84Å; F329-K335 HydrophobicContact CD2-CG 4.27Å; F329-K335 HydrophobicContact CE1-CD 4.38Å; F329-K335 HydrophobicContact CE1-CG 4.34Å; F329-K335 HydrophobicContact CG-CG 3.8Å |
| 330 | I | 97.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -103.1 | -49.7 | 167.5 | -69.2 | 161.2 | 0 | 0 | 0 | 109.2 | L303 F318 I320 D334 L345 Y349 L356 | L303-I330 HydrophobicContact CD2-CD1 3.64Å; F318-I330 HydrophobicContact CB-CG2 3.8Å; F318-I330 HydrophobicContact CD1-CG2 4.31Å; F318-I330 HydrophobicContact CG-CG2 4.28Å; I320-I330 HydrophobicContact CG1-CD1 4.2Å; I320-I330 HydrophobicContact CG1-CG1 3.88Å; I330-D334 PolarHBondContact N-OD2 2.83Å; I330-D334 VanDerWaalsContact N-OD2 3.16Å; I330-L345 HydrophobicContact CD1-CD2 4.35Å; I330-L345 HydrophobicContact CG1-CD2 4.19Å; I330-Y349 HydrophobicContact CD1-CD2 4.4Å; I330-Y349 HydrophobicContact CD1-CE2 3.96Å; I330-L356 HydrophobicContact CB-CD2 4.46Å; I330-L356 HydrophobicContact CD1-CD1 4.48Å; I330-L356 HydrophobicContact CG2-CD2 3.66Å |
| 331 | R | 94.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -100.2 | 152 | 175.2 | -58.2 | 175.7 | -58.1 | 175.8 | 13.8 | 109.8 | N333 D334 Y349 T355 L356 | R331-N333 PolarHBondContact O-N 3.28Å; R331-D334 IonicContact CZ-OD1 3.54Å; R331-D334 PolarHBondContact N-OD2 2.84Å; R331-D334 IonicContact NE-OD1 3.24Å; R331-D334 PolarHBondContact NE-OD1 3.48Å; R331-D334 IonicContact NH2-OD1 2.89Å; R331-D334 PolarHBondContact NH2-OD1 2.92Å; R331-D334 WeakPolarHBondContact O-CB 3.46Å; R331-D334 PolarHBondContact O-N 2.86Å; R331-Y349 PolarHBondContact NE-OH 3.47Å; R331-T355 PolarHBondContact NH1-O 3.09Å; R331-L356 HydrophobicContact CG-CD2 4.04Å |
| 332 | L | 92.7 | Very high | 93.7 | Very high | 128 Ų | 128 | 61.8 Ų | 61.8 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -56.9 | -34.9 | 176.2 | -71.3 | 171.8 | 0 | 0 | 0 | 112.7 | F329 D334 K335 | F329-L332 HydrophobicContact CE2-CD2 4.42Å; L332-D334 PolarHBondContact O-N 3.5Å; L332-K335 WeakPolarHBondContact O-CB 3.26Å; L332-K335 WeakPolarHBondContact O-CG 3.21Å; L332-K335 PolarHBondContact O-N 2.87Å |
| 333 | N | 93.3 | Very high | 93.9 | Very high | 119 Ų | 119 | 59.4 Ų | 59.4 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -67.7 | -19.5 | 177.2 | -85.2 | 7.6 | 0 | 0 | 0 | 114 | R331 K335 K336 | R331-N333 PolarHBondContact O-N 3.28Å; N333-K335 PolarHBondContact O-N 2.91Å; N333-K336 VanDerWaalsContact O-CD 3.3Å; N333-K336 WeakPolarHBondContact O-CD 3.26Å; N333-K336 WeakPolarHBondContact O-CG 3.33Å |
| 334 | D | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -71.8 | -22.7 | 179.2 | -51.5 | -26.1 | 0 | 0 | 0 | 111 | F329 I330 R331 L332 K336 N337 F339 L345 Y349 | F329-D334 HydrophobicContact CB-CB 3.93Å; I330-D334 PolarHBondContact N-OD2 2.83Å; I330-D334 VanDerWaalsContact N-OD2 3.16Å; R331-D334 IonicContact CZ-OD1 3.54Å; R331-D334 PolarHBondContact N-OD2 2.84Å; R331-D334 IonicContact NE-OD1 3.24Å; R331-D334 PolarHBondContact NE-OD1 3.48Å; R331-D334 IonicContact NH2-OD1 2.89Å; R331-D334 PolarHBondContact NH2-OD1 2.92Å; R331-D334 WeakPolarHBondContact O-CB 3.46Å; R331-D334 PolarHBondContact O-N 2.86Å; L332-D334 PolarHBondContact O-N 3.5Å; D334-K336 PolarHBondContact O-N 2.97Å; D334-N337 WeakPolarHBondContact O-CB 3.34Å; D334-N337 PolarHBondContact O-N 2.89Å; D334-F339 HydrophobicContact CB-CE2 4.2Å; D334-L345 HydrophobicContact CB-CD1 4.37Å; D334-Y349 PolarHBondContact OD1-OH 3.26Å; D334-Y349 VanDerWaalsContact OD1-OH 3.11Å; D334-Y349 PolarHBondContact OD2-OH 3.25Å |
| 335 | K | 93.8 | Very high | 94.4 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -55.8 | -26.8 | 177.5 | -69.1 | -174 | 171.1 | -173.1 | 0 | 113.7 | F329 L332 N333 N337 R338 | F329-K335 HydrophobicContact CB-CG 4.08Å; F329-K335 HydrophobicContact CD1-CD 4.37Å; F329-K335 HydrophobicContact CD1-CG 3.84Å; F329-K335 HydrophobicContact CD2-CG 4.27Å; F329-K335 HydrophobicContact CE1-CD 4.38Å; F329-K335 HydrophobicContact CE1-CG 4.34Å; F329-K335 HydrophobicContact CG-CG 3.8Å; L332-K335 WeakPolarHBondContact O-CB 3.26Å; L332-K335 WeakPolarHBondContact O-CG 3.21Å; L332-K335 PolarHBondContact O-N 2.87Å; N333-K335 PolarHBondContact O-N 2.91Å; K335-N337 PolarHBondContact O-N 3.14Å; K335-R338 PolarHBondContact O-N 3.46Å |
| 336 | K | 94 | Very high | 94.9 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 65% | 0.648 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -64.6 | -27.6 | 177.9 | 78.2 | -168.2 | 176.1 | 163.4 | 0 | 112.5 | N333 D334 | N333-K336 VanDerWaalsContact O-CD 3.3Å; N333-K336 WeakPolarHBondContact O-CD 3.26Å; N333-K336 WeakPolarHBondContact O-CG 3.33Å; D334-K336 PolarHBondContact O-N 2.97Å |
| 337 | N | 93.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -87.3 | -12.2 | -177.1 | -60.6 | -28.9 | 0 | 0 | 0 | 112.7 | D334 K335 F339 | D334-N337 WeakPolarHBondContact O-CB 3.34Å; D334-N337 PolarHBondContact O-N 2.89Å; K335-N337 PolarHBondContact O-N 3.14Å; N337-F339 HydrophobicContact CB-CD1 4.38Å; N337-F339 HydrophobicContact CB-CD2 4.01Å; N337-F339 HydrophobicContact CB-CE1 3.84Å; N337-F339 HydrophobicContact CB-CE2 3.44Å; N337-F339 VanDerWaalsContact CB-CE2 3.44Å; N337-F339 HydrophobicContact CB-CG 4.47Å; N337-F339 HydrophobicContact CB-CZ 3.34Å; N337-F339 WeakPolarHBondContact ND2-CZ 3.27Å; N337-F339 PolarHBondContact O-N 3.3Å |
| 338 | R | 93.7 | Very high | 95.3 | Very high | 168 Ų | 168 | 46.5 Ų | 46.5 | 63% | 0.634 | 21% | 0.212 | S | C | * | . | trans | 53.5 | 45.8 | 174.1 | -56.9 | -179.3 | -177.5 | 179.5 | 0.6 | 114.4 | H327 K335 G340 | H327-R338 PolarHBondContact CD2-O 3.41Å; K335-R338 PolarHBondContact O-N 3.46Å; R338-G340 PolarHBondContact O-N 2.9Å; R338-G340 VanDerWaalsContact O-N 3.13Å | ||
| 339 | F | 95.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | trans | -60.6 | 115.9 | 178.1 | -57.6 | -64.9 | 0 | 0 | 0 | 111.2 | H327 F328 D334 N337 T341 E344 L345 Y348 | H327-F339 CarbonylContact C-O 3.52Å; H327-F339 WeakPolarHBondContact CA-O 3.34Å; H327-F339 WeakPolarHBondContact CB-O 3.4Å; F328-F339 PolarHBondContact N-O 2.9Å; D334-F339 HydrophobicContact CB-CE2 4.2Å; N337-F339 HydrophobicContact CB-CD1 4.38Å; N337-F339 HydrophobicContact CB-CD2 4.01Å; N337-F339 HydrophobicContact CB-CE1 3.84Å; N337-F339 HydrophobicContact CB-CE2 3.44Å; N337-F339 VanDerWaalsContact CB-CE2 3.44Å; N337-F339 HydrophobicContact CB-CG 4.47Å; N337-F339 HydrophobicContact CB-CZ 3.34Å; N337-F339 WeakPolarHBondContact ND2-CZ 3.27Å; N337-F339 PolarHBondContact O-N 3.3Å; F339-T341 VanDerWaalsContact C-N 3.33Å; F339-E344 HydrophobicContact CB-CB 4.48Å; F339-E344 HydrophobicContact CD1-CB 3.85Å; F339-L345 HydrophobicContact CB-CB 4.11Å; F339-L345 HydrophobicContact CD2-CB 4.2Å; F339-L345 HydrophobicContact CD2-CD1 3.49Å; F339-L345 VanDerWaalsContact CD2-CD1 3.49Å; F339-L345 HydrophobicContact CD2-CG 4.45Å; F339-L345 HydrophobicContact CE2-CD1 3.74Å; F339-L345 HydrophobicContact CG-CB 4.13Å; F339-L345 HydrophobicContact CG-CD1 4.27Å; F339-Y348 HydrophobicContact CE1-CG 4.09Å; F339-Y348 AromaticContact CE2-CD1 3.93Å; F339-Y348 HydrophobicContact CE2-CD1 3.93Å; F339-Y348 HydrophobicContact CE2-CE1 4.39Å; F339-Y348 HydrophobicContact CE2-CG 4.23Å; F339-Y348 AromaticContact CZ-CD1 3.56Å; F339-Y348 HydrophobicContact CZ-CD1 3.56Å; F339-Y348 AromaticContact CZ-CD2 3.93Å; F339-Y348 HydrophobicContact CZ-CD2 3.93Å; F339-Y348 HydrophobicContact CZ-CE1 4.19Å; F339-Y348 AromaticContact CZ-CG 3.39Å; F339-Y348 HydrophobicContact CZ-CG 3.39Å | ||
| 340 | G | 93.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -81.9 | -16.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | T216 F328 R338 E344 | T216-G340 PolarHBondContact N-O 3.36Å; T216-G340 CarbonylContact O-C 3.6Å; T216-G340 WeakPolarHBondContact O-CA 3.22Å; F328-G340 WeakPolarHBondContact CD2-O 3.49Å; F328-G340 VanDerWaalsContact CE2-O 3.25Å; F328-G340 WeakPolarHBondContact CE2-O 3.31Å; R338-G340 PolarHBondContact O-N 2.9Å; R338-G340 VanDerWaalsContact O-N 3.13Å; G340-E344 PolarHBondContact N-OE2 2.98Å | ||
| 341 | T | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -128.6 | 160.1 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | L205 E215 V217 P263 F339 H343 E344 L345 | L205-T341 HydrophobicContact CD1-CG2 3.58Å; E215-T341 HydrophobicContact CB-CG2 4.25Å; E215-T341 WeakPolarHBondContact OE1-CA 3.4Å; V217-T341 HydrophobicContact CG1-CG2 3.99Å; P263-T341 HydrophobicContact CB-CG2 3.97Å; P263-T341 HydrophobicContact CG-CG2 3.92Å; F339-T341 VanDerWaalsContact C-N 3.33Å; T341-H343 VanDerWaalsContact C-N 3.29Å; T341-E344 PolarHBondContact N-OE2 3.25Å; T341-E344 WeakPolarHBondContact OG1-CB 3.46Å; T341-E344 VanDerWaalsContact OG1-CD 3.31Å; T341-E344 WeakPolarHBondContact OG1-CG 3.26Å; T341-E344 PolarHBondContact OG1-N 3.18Å; T341-E344 VanDerWaalsContact OG1-N 3.08Å; T341-E344 PolarHBondContact OG1-OE2 2.88Å; T341-L345 PolarHBondContact O-N 3.12Å |
| 342 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -32.2 | 170.7 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | E215 L266 L269 V293 L301 I320 F328 L345 I346 | E215-V342 PolarHBondContact OE1-N 2.84Å; L266-V342 HydrophobicContact CD1-CB 3.99Å; L266-V342 HydrophobicContact CD1-CG1 3.91Å; L266-V342 HydrophobicContact CD1-CG2 4.15Å; L266-V342 HydrophobicContact CD2-CG2 4.43Å; L269-V342 HydrophobicContact CD1-CB 4.46Å; L269-V342 HydrophobicContact CD1-CG1 4.44Å; V293-V342 HydrophobicContact CG1-CG1 4.46Å; L301-V342 HydrophobicContact CD2-CG1 4.48Å; L301-V342 HydrophobicContact CD2-CG2 3.62Å; I320-V342 HydrophobicContact CD1-CG1 4.18Å; F328-V342 HydrophobicContact CD1-CG2 3.62Å; F328-V342 HydrophobicContact CE1-CG2 3.46Å; F328-V342 VanDerWaalsContact CE1-CG2 3.46Å; F328-V342 HydrophobicContact CE2-CG2 4.45Å; F328-V342 HydrophobicContact CG-CG2 4.13Å; F328-V342 HydrophobicContact CZ-CG2 3.88Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 3.31Å; V342-I346 HydrophobicContact CG1-CG1 4.09Å; V342-I346 WeakPolarHBondContact O-CG1 3.04Å; V342-I346 PolarHBondContact O-N 3.35Å |
| 343 | H | 96.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -54.6 | 178.4 | -164.3 | 150.2 | 0 | 0 | 0 | 111.2 | R229 P263 L264 L269 T341 L345 I346 E347 | R229-H343 PolarHBondContact NH1-CE1 2.87Å; P263-H343 HydrophobicContact CB-CB 4.08Å; L264-H343 WeakPolarHBondContact CB-ND1 3.15Å; L264-H343 PolarHBondContact N-ND1 2.78Å; L269-H343 HydrophobicContact CD1-CB 4.16Å; L269-H343 HydrophobicContact CD2-CB 3.86Å; L269-H343 WeakPolarHBondContact CD2-ND1 3.34Å; T341-H343 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 3.15Å; H343-I346 PolarHBondContact O-N 3.2Å; H343-I346 VanDerWaalsContact O-N 3.15Å; H343-E347 WeakPolarHBondContact O-CB 3.33Å; H343-E347 PolarHBondContact O-N 2.76Å |
| 344 | E | 95.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -37.7 | -179.4 | -66.9 | 161.9 | 130.6 | 0 | 0 | 111.7 | P263 F339 G340 T341 Y348 | P263-E344 HydrophobicContact CB-CG 4.14Å; P263-E344 HydrophobicContact CG-CG 4.46Å; F339-E344 HydrophobicContact CB-CB 4.48Å; F339-E344 HydrophobicContact CD1-CB 3.85Å; G340-E344 PolarHBondContact N-OE2 2.98Å; T341-E344 PolarHBondContact N-OE2 3.25Å; T341-E344 WeakPolarHBondContact OG1-CB 3.46Å; T341-E344 VanDerWaalsContact OG1-CD 3.31Å; T341-E344 WeakPolarHBondContact OG1-CG 3.26Å; T341-E344 PolarHBondContact OG1-N 3.18Å; T341-E344 VanDerWaalsContact OG1-N 3.08Å; T341-E344 PolarHBondContact OG1-OE2 2.88Å; E344-Y348 WeakPolarHBondContact O-CB 3.42Å; E344-Y348 PolarHBondContact O-N 2.6Å |
| 345 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -51.9 | 175.6 | 176.1 | 66.2 | 0 | 0 | 0 | 110.7 | I320 F328 I330 D334 F339 T341 V342 H343 Y348 Y349 | I320-L345 HydrophobicContact CG2-CD2 3.89Å; F328-L345 HydrophobicContact CB-CD2 3.95Å; I330-L345 HydrophobicContact CD1-CD2 4.35Å; I330-L345 HydrophobicContact CG1-CD2 4.19Å; D334-L345 HydrophobicContact CB-CD1 4.37Å; F339-L345 HydrophobicContact CB-CB 4.11Å; F339-L345 HydrophobicContact CD2-CB 4.2Å; F339-L345 HydrophobicContact CD2-CD1 3.49Å; F339-L345 VanDerWaalsContact CD2-CD1 3.49Å; F339-L345 HydrophobicContact CD2-CG 4.45Å; F339-L345 HydrophobicContact CE2-CD1 3.74Å; F339-L345 HydrophobicContact CG-CB 4.13Å; F339-L345 HydrophobicContact CG-CD1 4.27Å; T341-L345 PolarHBondContact O-N 3.12Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 3.31Å; H343-L345 PolarHBondContact O-N 3.15Å; L345-Y348 WeakPolarHBondContact O-CB 3.43Å; L345-Y348 PolarHBondContact O-N 2.78Å; L345-Y349 HydrophobicContact CD1-CD2 4.19Å; L345-Y349 HydrophobicContact CD1-CE2 3.76Å; L345-Y349 HydrophobicContact CG-CD2 4.49Å; L345-Y349 HydrophobicContact CG-CE2 4.4Å; L345-Y349 VanDerWaalsContact O-CD2 3.27Å; L345-Y349 WeakPolarHBondContact O-CD2 3.26Å; L345-Y349 PolarHBondContact O-N 3.37Å |
| 346 | I | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | -179 | -64.1 | -58.8 | 0 | 0 | 0 | 111.2 | Y271 Y291 V293 L303 V342 H343 Y348 Y349 E350 L371 | Y271-I346 HydrophobicContact CE1-CG2 4.38Å; Y271-I346 HydrophobicContact CE2-CB 4.3Å; Y271-I346 HydrophobicContact CE2-CG1 4.12Å; Y271-I346 HydrophobicContact CE2-CG2 4.06Å; Y291-I346 HydrophobicContact CE2-CG2 3.8Å; V293-I346 HydrophobicContact CG2-CD1 4.15Å; V293-I346 HydrophobicContact CG2-CG1 4.22Å; L303-I346 HydrophobicContact CD1-CD1 4.06Å; L303-I346 HydrophobicContact CD2-CD1 4.07Å; V342-I346 HydrophobicContact CG1-CG1 4.09Å; V342-I346 WeakPolarHBondContact O-CG1 3.04Å; V342-I346 PolarHBondContact O-N 3.35Å; H343-I346 PolarHBondContact O-N 3.2Å; H343-I346 VanDerWaalsContact O-N 3.15Å; I346-Y348 VanDerWaalsContact C-N 3.28Å; I346-Y348 PolarHBondContact O-N 3.2Å; I346-Y349 WeakPolarHBondContact O-CA 3.48Å; I346-Y349 WeakPolarHBondContact O-CB 3.38Å; I346-Y349 PolarHBondContact O-N 3.17Å; I346-E350 HydrophobicContact CG2-CG 4.39Å; I346-E350 PolarHBondContact O-N 3.2Å; I346-L371 HydrophobicContact CD1-CD1 4.36Å; I346-L371 HydrophobicContact CG2-CD1 4.15Å |
| 347 | E | 95 | Very high | 94.4 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 177 | -173.5 | 175.5 | -146.2 | 0 | 0 | 111 | H343 Y349 E350 E351 | H343-E347 WeakPolarHBondContact O-CB 3.33Å; H343-E347 PolarHBondContact O-N 2.76Å; E347-Y349 VanDerWaalsContact C-N 3.32Å; E347-Y349 PolarHBondContact O-N 3.02Å; E347-E350 PolarHBondContact O-N 3.24Å; E347-E350 VanDerWaalsContact O-N 3.15Å; E347-E351 HydrophobicContact CG-CG 3.95Å; E347-E351 WeakPolarHBondContact O-CB 3.38Å; E347-E351 WeakPolarHBondContact O-CG 3.44Å; E347-E351 PolarHBondContact O-N 2.6Å |
| 348 | Y | 95.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 17% | 0.169 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 172.9 | 165.6 | -104.4 | 0 | 0 | 0 | 113 | F339 E344 L345 I346 E350 E352 V354 | F339-Y348 HydrophobicContact CE1-CG 4.09Å; F339-Y348 AromaticContact CE2-CD1 3.93Å; F339-Y348 HydrophobicContact CE2-CD1 3.93Å; F339-Y348 HydrophobicContact CE2-CE1 4.39Å; F339-Y348 HydrophobicContact CE2-CG 4.23Å; F339-Y348 AromaticContact CZ-CD1 3.56Å; F339-Y348 HydrophobicContact CZ-CD1 3.56Å; F339-Y348 AromaticContact CZ-CD2 3.93Å; F339-Y348 HydrophobicContact CZ-CD2 3.93Å; F339-Y348 HydrophobicContact CZ-CE1 4.19Å; F339-Y348 AromaticContact CZ-CG 3.39Å; F339-Y348 HydrophobicContact CZ-CG 3.39Å; E344-Y348 WeakPolarHBondContact O-CB 3.42Å; E344-Y348 PolarHBondContact O-N 2.6Å; L345-Y348 WeakPolarHBondContact O-CB 3.43Å; L345-Y348 PolarHBondContact O-N 2.78Å; I346-Y348 VanDerWaalsContact C-N 3.28Å; I346-Y348 PolarHBondContact O-N 3.2Å; Y348-E350 VanDerWaalsContact C-N 3.33Å; Y348-E352 HydrophobicContact CD2-CB 4.26Å; Y348-E352 HydrophobicContact CD2-CG 3.64Å; Y348-E352 HydrophobicContact CE2-CB 4.19Å; Y348-E352 HydrophobicContact CE2-CG 3.78Å; Y348-E352 VanDerWaalsContact O-CB 3.29Å; Y348-E352 WeakPolarHBondContact O-CB 3.12Å; Y348-E352 PolarHBondContact O-N 3.3Å; Y348-E352 VanDerWaalsContact O-N 3.12Å; Y348-V354 HydrophobicContact CD1-CG2 4.2Å; Y348-V354 HydrophobicContact CE1-CB 4.31Å; Y348-V354 HydrophobicContact CE1-CG1 4.26Å; Y348-V354 HydrophobicContact CE1-CG2 3.61Å; Y348-V354 HydrophobicContact CE2-CG2 4.05Å |
| 349 | Y | 97 | Very high | 93 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -34.4 | 177.2 | -85.9 | -87.3 | 0 | 0 | 0 | 112.6 | I330 R331 D334 L345 I346 E347 K353 V354 L356 L371 | I330-Y349 HydrophobicContact CD1-CD2 4.4Å; I330-Y349 HydrophobicContact CD1-CE2 3.96Å; R331-Y349 PolarHBondContact NE-OH 3.47Å; D334-Y349 PolarHBondContact OD1-OH 3.26Å; D334-Y349 VanDerWaalsContact OD1-OH 3.11Å; D334-Y349 PolarHBondContact OD2-OH 3.25Å; L345-Y349 HydrophobicContact CD1-CD2 4.19Å; L345-Y349 HydrophobicContact CD1-CE2 3.76Å; L345-Y349 HydrophobicContact CG-CD2 4.49Å; L345-Y349 HydrophobicContact CG-CE2 4.4Å; L345-Y349 VanDerWaalsContact O-CD2 3.27Å; L345-Y349 WeakPolarHBondContact O-CD2 3.26Å; L345-Y349 PolarHBondContact O-N 3.37Å; I346-Y349 WeakPolarHBondContact O-CA 3.48Å; I346-Y349 WeakPolarHBondContact O-CB 3.38Å; I346-Y349 PolarHBondContact O-N 3.17Å; E347-Y349 VanDerWaalsContact C-N 3.32Å; E347-Y349 PolarHBondContact O-N 3.02Å; Y349-K353 WeakPolarHBondContact O-CA 3.17Å; Y349-K353 PolarHBondContact O-N 3.09Å; Y349-V354 HydrophobicContact CD1-CB 3.67Å; Y349-V354 HydrophobicContact CD1-CG1 3.72Å; Y349-V354 WeakPolarHBondContact CD1-O 3.41Å; Y349-V354 HydrophobicContact CE1-CB 3.98Å; Y349-V354 HydrophobicContact CE1-CG1 3.45Å; Y349-V354 VanDerWaalsContact CE1-CG1 3.45Å; Y349-V354 HydrophobicContact CG-CB 4.32Å; Y349-V354 PolarHBondContact O-N 2.9Å; Y349-L356 HydrophobicContact CD1-CD1 4.28Å; Y349-L356 HydrophobicContact CD1-CD2 4.3Å; Y349-L356 HydrophobicContact CD1-CG 4Å; Y349-L356 HydrophobicContact CE1-CD1 4.1Å; Y349-L356 HydrophobicContact CE1-CD2 3.35Å; Y349-L356 HydrophobicContact CE1-CG 3.51Å; Y349-L356 WeakPolarHBondContact OH-CD2 3.34Å; Y349-L371 HydrophobicContact CG-CD1 4.42Å |
| 350 | E | 94.2 | Very high | 92 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.3 | -47 | 179 | -69.7 | -167.1 | 118.3 | 0 | 0 | 113.3 | Y291 I346 E347 Y348 K353 L371 | Y291-E350 HydrophobicContact CE1-CG 4.31Å; Y291-E350 WeakPolarHBondContact CE1-OE1 3.31Å; Y291-E350 PolarHBondContact OH-OE1 3.25Å; Y291-E350 PolarHBondContact OH-OE2 3.24Å; I346-E350 HydrophobicContact CG2-CG 4.39Å; I346-E350 PolarHBondContact O-N 3.2Å; E347-E350 PolarHBondContact O-N 3.24Å; E347-E350 VanDerWaalsContact O-N 3.15Å; Y348-E350 VanDerWaalsContact C-N 3.33Å; E350-K353 VanDerWaalsContact O-CD 3.3Å; E350-K353 WeakPolarHBondContact O-CD 3.33Å; E350-K353 WeakPolarHBondContact O-CE 3.47Å; E350-K353 PolarHBondContact O-NZ 3.48Å; E350-L371 HydrophobicContact CG-CB 3.96Å; E350-L371 HydrophobicContact CG-CD1 4.35Å |
| 351 | E | 91.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.5 | -49.9 | -176 | -68.6 | -160.4 | 130.7 | 0 | 0 | 111.1 | K258 R260 E347 K353 | K258-E351 IonicContact NZ-OE1 2.66Å; K258-E351 PolarHBondContact NZ-OE1 3.28Å; R260-E351 IonicContact CZ-OE2 2.84Å; R260-E351 IonicContact NE-OE2 3.88Å; R260-E351 IonicContact NH2-OE2 2.89Å; R260-E351 PolarHBondContact NH2-OE2 2.89Å; E347-E351 HydrophobicContact CG-CG 3.95Å; E347-E351 WeakPolarHBondContact O-CB 3.38Å; E347-E351 WeakPolarHBondContact O-CG 3.44Å; E347-E351 PolarHBondContact O-N 2.6Å; E351-K353 PolarHBondContact O-N 3.3Å |
| 352 | E | 92.3 | Very high | 90 | Very high | 118 Ų | 118 | 51.7 Ų | 51.7 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.8 | -176.2 | -58 | -62.6 | 140.6 | 0 | 0 | 112.7 | Y348 V354 | Y348-E352 HydrophobicContact CD2-CB 4.26Å; Y348-E352 HydrophobicContact CD2-CG 3.64Å; Y348-E352 HydrophobicContact CE2-CB 4.19Å; Y348-E352 HydrophobicContact CE2-CG 3.78Å; Y348-E352 VanDerWaalsContact O-CB 3.29Å; Y348-E352 WeakPolarHBondContact O-CB 3.12Å; Y348-E352 PolarHBondContact O-N 3.3Å; Y348-E352 VanDerWaalsContact O-N 3.12Å; E352-V354 HydrophobicContact CB-CG2 3.59Å; E352-V354 PolarHBondContact O-N 2.89Å; E352-V354 VanDerWaalsContact O-N 3.08Å |
| 353 | K | 93 | Very high | 89.1 | Confident | 122 Ų | 122 | 56.8 Ų | 56.8 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 39.3 | -176.5 | -58.9 | -60.6 | 176.3 | -152.7 | 0 | 112.5 | Y349 E350 E351 T355 T370 | Y349-K353 WeakPolarHBondContact O-CA 3.17Å; Y349-K353 PolarHBondContact O-N 3.09Å; E350-K353 VanDerWaalsContact O-CD 3.3Å; E350-K353 WeakPolarHBondContact O-CD 3.33Å; E350-K353 WeakPolarHBondContact O-CE 3.47Å; E350-K353 PolarHBondContact O-NZ 3.48Å; E351-K353 PolarHBondContact O-N 3.3Å; K353-T355 PolarHBondContact O-N 2.8Å; K353-T370 HydrophobicContact CB-CG2 4.25Å; K353-T370 HydrophobicContact CD-CG2 4.07Å |
| 354 | V | 93.8 | Very high | 88.2 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 127 | -179.1 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | Y348 Y349 E352 | Y348-V354 HydrophobicContact CD1-CG2 4.2Å; Y348-V354 HydrophobicContact CE1-CB 4.31Å; Y348-V354 HydrophobicContact CE1-CG1 4.26Å; Y348-V354 HydrophobicContact CE1-CG2 3.61Å; Y348-V354 HydrophobicContact CE2-CG2 4.05Å; Y349-V354 HydrophobicContact CD1-CB 3.67Å; Y349-V354 HydrophobicContact CD1-CG1 3.72Å; Y349-V354 WeakPolarHBondContact CD1-O 3.41Å; Y349-V354 HydrophobicContact CE1-CB 3.98Å; Y349-V354 HydrophobicContact CE1-CG1 3.45Å; Y349-V354 VanDerWaalsContact CE1-CG1 3.45Å; Y349-V354 HydrophobicContact CG-CB 4.32Å; Y349-V354 PolarHBondContact O-N 2.9Å; E352-V354 HydrophobicContact CB-CG2 3.59Å; E352-V354 PolarHBondContact O-N 2.89Å; E352-V354 VanDerWaalsContact O-N 3.08Å |
| 355 | T | 93.6 | Very high | 87.4 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 142.9 | -178.7 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | R331 K353 I368 V369 | R331-T355 PolarHBondContact NH1-O 3.09Å; K353-T355 PolarHBondContact O-N 2.8Å; T355-I368 HydrophobicContact CG2-CG2 3.51Å; T355-V369 CarbonylContact C-O 3.52Å; T355-V369 WeakPolarHBondContact CA-O 3.14Å |
| 356 | L | 93.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.6 | 170.9 | -70 | 169 | 0 | 0 | 0 | 110.7 | L303 F318 I330 R331 Y349 I368 V369 | L303-L356 HydrophobicContact CD2-CD1 3.86Å; F318-L356 HydrophobicContact CD1-CD1 4.45Å; F318-L356 HydrophobicContact CD1-CD2 4.49Å; F318-L356 HydrophobicContact CD2-CD1 3.77Å; F318-L356 HydrophobicContact CE1-CB 3.84Å; F318-L356 HydrophobicContact CE1-CD1 4.48Å; F318-L356 HydrophobicContact CE2-CB 4Å; F318-L356 HydrophobicContact CE2-CD1 3.79Å; F318-L356 HydrophobicContact CG-CD1 4.1Å; F318-L356 HydrophobicContact CZ-CB 3.55Å; F318-L356 HydrophobicContact CZ-CD1 4.17Å; F318-L356 HydrophobicContact CZ-CG 4.4Å; I330-L356 HydrophobicContact CB-CD2 4.46Å; I330-L356 HydrophobicContact CD1-CD1 4.48Å; I330-L356 HydrophobicContact CG2-CD2 3.66Å; R331-L356 HydrophobicContact CG-CD2 4.04Å; Y349-L356 HydrophobicContact CD1-CD1 4.28Å; Y349-L356 HydrophobicContact CD1-CD2 4.3Å; Y349-L356 HydrophobicContact CD1-CG 4Å; Y349-L356 HydrophobicContact CE1-CD1 4.1Å; Y349-L356 HydrophobicContact CE1-CD2 3.35Å; Y349-L356 HydrophobicContact CE1-CG 3.51Å; Y349-L356 WeakPolarHBondContact OH-CD2 3.34Å; L356-I368 WeakPolarHBondContact O-CA 3.4Å; L356-V369 HydrophobicContact CB-CG2 3.75Å; L356-V369 PolarHBondContact N-O 3.09Å; L356-V369 PolarHBondContact O-N 2.84Å |
| 357 | S | 88.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.7 | 178.5 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | F318 M366 | F318-S357 WeakPolarHBondContact CE1-O 3.36Å; S357-M366 WeakPolarHBondContact CB-SD 3.47Å; S357-M366 PolarHBondContact OG-SD 2.88Å; S357-M366 VanDerWaalsContact OG-SD 3.36Å |
| 358 | G | 80.5 | Confident | 85.6 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -169.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M366 H367 | G358-M366 WeakPolarHBondContact O-CG 3.45Å; G358-H367 PolarHBondContact N-O 3.01Å |
| 359 | N | 77.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 69.7 Ų | 69.7 | 65% | 0.647 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 160.5 | 173.4 | -69 | -24.7 | 0 | 0 | 0 | 111.8 | Y316 H367 | Y316-N359 HydrophobicContact CE1-CB 4.04Å; N359-H367 PolarHBondContact O-N 3.49Å; N359-H367 VanDerWaalsContact O-N 3.12Å |
| 360 | K | 75.4 | Confident | 85.3 | Confident | 147 Ų | 147 | 71.6 Ų | 71.6 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.9 | 167.6 | -66.8 | 178.8 | 176.4 | -176.4 | 0 | 109.6 | G364 K365 M366 | K360-G364 WeakPolarHBondContact CD-O 3.33Å; K360-G364 WeakPolarHBondContact CG-O 3.12Å; K360-K365 CarbonylContact C-O 3.59Å; K360-K365 VanDerWaalsContact CA-O 3.28Å; K360-K365 WeakPolarHBondContact CA-O 3.47Å; K360-M366 HydrophobicContact CG-CB 4.48Å |
| 361 | D | 73.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | trans | -76.3 | -177.3 | 169.3 | 56.1 | 32.7 | 0 | 0 | 0 | 112.6 | T363 G364 K365 H367 | D361-T363 PolarHBondContact O-N 2.88Å; D361-T363 VanDerWaalsContact O-N 3.07Å; D361-T363 VanDerWaalsContact OD1-CA 3.31Å; D361-T363 WeakPolarHBondContact OD1-CA 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.37Å; D361-T363 PolarHBondContact OD1-N 2.79Å; D361-T363 PolarHBondContact OD1-OG1 3.44Å; D361-G364 PolarHBondContact O-N 2.92Å; D361-G364 PolarHBondContact OD1-N 3.07Å; D361-K365 PolarHBondContact N-O 2.98Å; D361-K365 PolarHBondContact OD1-N 2.91Å; D361-H367 VanDerWaalsContact CB-NE2 3.3Å; D361-H367 WeakPolarHBondContact CB-NE2 3.29Å; D361-H367 IonicContact OD2-CD2 3.61Å; D361-H367 IonicContact OD2-NE2 2.94Å; D361-H367 PolarHBondContact OD2-NE2 3.17Å | ||
| 362 | C | 72.6 | Confident | 85.5 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 93% | 0.926 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -15.2 | 175 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 363 | T | 76.8 | Confident | 85.7 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -1.3 | 174.3 | 77.5 | 0 | 0 | 0 | 0 | 112.9 | D361 K365 | D361-T363 PolarHBondContact O-N 2.88Å; D361-T363 VanDerWaalsContact O-N 3.07Å; D361-T363 VanDerWaalsContact OD1-CA 3.31Å; D361-T363 WeakPolarHBondContact OD1-CA 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.37Å; D361-T363 PolarHBondContact OD1-N 2.79Å; D361-T363 PolarHBondContact OD1-OG1 3.44Å; T363-K365 PolarHBondContact O-N 2.97Å |
| 364 | G | 77.3 | Confident | 85.9 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 78.3 | 2.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K360 D361 | K360-G364 WeakPolarHBondContact CD-O 3.33Å; K360-G364 WeakPolarHBondContact CG-O 3.12Å; D361-G364 PolarHBondContact O-N 2.92Å; D361-G364 PolarHBondContact OD1-N 3.07Å |
| 365 | K | 79.1 | Confident | 86 | Confident | 151 Ų | 151 | 64.7 Ų | 64.7 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 128.5 | 179 | -174.5 | 175.5 | 179.4 | 179.7 | 0 | 109.6 | K360 D361 T363 H367 | K360-K365 CarbonylContact C-O 3.59Å; K360-K365 VanDerWaalsContact CA-O 3.28Å; K360-K365 WeakPolarHBondContact CA-O 3.47Å; D361-K365 PolarHBondContact N-O 2.98Å; D361-K365 PolarHBondContact OD1-N 2.91Å; T363-K365 PolarHBondContact O-N 2.97Å; K365-H367 PolarHBondContact O-CD2 3.39Å; K365-H367 PolarHBondContact O-N 3.02Å |
| 366 | M | 81.9 | Confident | 86 | Confident | 89 Ų | 89 | 66 Ų | 66 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.2 | 176.7 | -166.4 | -177.1 | -49.3 | 0 | 0 | 110.1 | S357 G358 K360 | S357-M366 WeakPolarHBondContact CB-SD 3.47Å; S357-M366 PolarHBondContact OG-SD 2.88Å; S357-M366 VanDerWaalsContact OG-SD 3.36Å; G358-M366 WeakPolarHBondContact O-CG 3.45Å; K360-M366 HydrophobicContact CG-CB 4.48Å |
| 367 | H | 83.5 | Confident | 85.7 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 11% | 0.111 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 139.5 | 174.7 | -76.3 | -140.8 | 0 | 0 | 0 | 109.3 | F314 Y316 G358 N359 D361 K365 | F314-H367 AromaticContact CD2-CE1 3.57Å; F314-H367 AromaticContact CD2-ND1 3.66Å; F314-H367 AromaticContact CE2-CE1 3.37Å; F314-H367 WeakPolarHBondContact CE2-CE1 2.89Å; F314-H367 AromaticContact CE2-ND1 3.96Å; F314-H367 AromaticContact CZ-CE1 3.87Å; Y316-H367 HydrophobicContact CE2-CB 3.98Å; Y316-H367 WeakPolarHBondContact OH-CB 3.38Å; Y316-H367 PolarHBondContact OH-ND1 2.87Å; G358-H367 PolarHBondContact N-O 3.01Å; N359-H367 PolarHBondContact O-N 3.49Å; N359-H367 VanDerWaalsContact O-N 3.12Å; D361-H367 VanDerWaalsContact CB-NE2 3.3Å; D361-H367 WeakPolarHBondContact CB-NE2 3.29Å; D361-H367 IonicContact OD2-CD2 3.61Å; D361-H367 IonicContact OD2-NE2 2.94Å; D361-H367 PolarHBondContact OD2-NE2 3.17Å; K365-H367 PolarHBondContact O-CD2 3.39Å; K365-H367 PolarHBondContact O-N 3.02Å |
| 368 | I | 88.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.7 | -179.3 | -59.1 | -178.4 | 0 | 0 | 0 | 106 | T355 L356 | T355-I368 HydrophobicContact CG2-CG2 3.51Å; L356-I368 WeakPolarHBondContact O-CA 3.4Å |
| 369 | V | 91.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.012 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.7 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | V305 Q307 Y316 F318 T355 L356 | V305-V369 HydrophobicContact CB-CG2 4.12Å; V305-V369 HydrophobicContact CG1-CB 4.03Å; V305-V369 HydrophobicContact CG1-CG2 4.02Å; V305-V369 HydrophobicContact CG2-CG2 4.46Å; Q307-V369 HydrophobicContact CB-CG1 3.7Å; Q307-V369 HydrophobicContact CG-CG1 4.05Å; Y316-V369 HydrophobicContact CD2-CG1 3.52Å; Y316-V369 HydrophobicContact CE2-CG1 3.72Å; F318-V369 HydrophobicContact CE2-CG2 3.87Å; F318-V369 HydrophobicContact CZ-CG2 3.84Å; T355-V369 CarbonylContact C-O 3.52Å; T355-V369 WeakPolarHBondContact CA-O 3.14Å; L356-V369 HydrophobicContact CB-CG2 3.75Å; L356-V369 PolarHBondContact N-O 3.09Å; L356-V369 PolarHBondContact O-N 2.84Å |
| 370 | T | 93.6 | Very high | 84 | Confident | 39 Ų | 39 | 83.1 Ų | 83.1 | 24% | 0.239 | 44% | 0.437 | C | S | . | . | trans | -127 | 145.6 | 176.5 | -47.9 | 0 | 0 | 0 | 0 | 107.9 | G289 K353 | G289-T370 WeakPolarHBondContact CA-O 3.49Å; K353-T370 HydrophobicContact CB-CG2 4.25Å; K353-T370 HydrophobicContact CD-CG2 4.07Å | ||
| 371 | L | 96.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | trans | -75.9 | 124.3 | 173.8 | -53.8 | -170.7 | 0 | 0 | 0 | 109.2 | Y291 L303 V305 I346 Y349 E350 | Y291-L371 HydrophobicContact CD1-CB 3.72Å; Y291-L371 HydrophobicContact CD1-CD2 4.03Å; Y291-L371 HydrophobicContact CD1-CG 4.28Å; Y291-L371 HydrophobicContact CD2-CD1 4.41Å; Y291-L371 HydrophobicContact CD2-CD2 4.46Å; Y291-L371 HydrophobicContact CE1-CB 3.85Å; Y291-L371 HydrophobicContact CG-CB 4.34Å; Y291-L371 HydrophobicContact CG-CD1 4.41Å; Y291-L371 HydrophobicContact CG-CD2 3.82Å; Y291-L371 HydrophobicContact CG-CG 4.41Å; L303-L371 HydrophobicContact CD1-CD2 4.43Å; L303-L371 HydrophobicContact CD2-CD1 4.25Å; L303-L371 HydrophobicContact CD2-CD2 4.12Å; V305-L371 HydrophobicContact CB-CD2 4.37Å; V305-L371 HydrophobicContact CG1-CD2 4.03Å; V305-L371 HydrophobicContact CG2-CD2 3.37Å; I346-L371 HydrophobicContact CD1-CD1 4.36Å; I346-L371 HydrophobicContact CG2-CD1 4.15Å; Y349-L371 HydrophobicContact CG-CD1 4.42Å; E350-L371 HydrophobicContact CG-CB 3.96Å; E350-L371 HydrophobicContact CG-CD1 4.35Å | ||
| 372 | V | 94.6 | Very high | 83.4 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | trans | -123.5 | -53.6 | -176.3 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | G289 | G289-V372 PolarHBondContact O-N 2.85Š| ||
| 373 | N | 95.2 | Very high | 83.6 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.8 | -176.9 | -46.1 | -60.9 | 0 | 0 | 0 | 110.7 | G289 D290 Y291 V375 | G289-N373 PolarHBondContact O-N 2.87Å; G289-N373 VanDerWaalsContact O-N 3.14Å; D290-N373 VanDerWaalsContact CA-O 3.28Å; D290-N373 WeakPolarHBondContact CA-O 3.35Å; D290-N373 WeakPolarHBondContact OD1-CB 3.38Å; D290-N373 PolarHBondContact OD1-ND2 2.86Å; Y291-N373 WeakPolarHBondContact CD1-O 3.23Å; Y291-N373 PolarHBondContact N-O 2.95Å; N373-V375 PolarHBondContact O-N 2.8Å |
| 374 | P | 96.8 | Very high | 83.7 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 31% | 0.312 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128.5 | 168.3 | 21.1 | -27.7 | 0 | 0 | 0 | 110.3 | Y271 Y291 N376 | Y271-P374 HydrophobicContact CD1-CB 3.92Å; Y271-P374 HydrophobicContact CG-CB 4.31Å; Y291-P374 HydrophobicContact CE1-CB 4Å; Y291-P374 HydrophobicContact CE1-CG 4.44Å; Y291-P374 VanDerWaalsContact CE1-N 3.31Å; Y291-P374 HydrophobicContact CE2-CB 4.13Å; Y291-P374 WeakPolarHBondContact OH-CB 3.42Å; P374-N376 PolarHBondContact O-N 2.92Å |
| 375 | V | 96.8 | Very high | 83.9 | Confident | 25 Ų | 25 | 78 Ų | 78 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | trans | -83.8 | 98 | 167 | -179 | 0 | 0 | 0 | 0 | 107.1 | H273 M284 T285 D290 Y291 L292 N373 | H273-V375 PolarHBondContact NE2-O 3.02Å; M284-V375 HydrophobicContact CB-CG1 4.32Å; T285-V375 HydrophobicContact CG2-CG2 4.13Å; D290-V375 HydrophobicContact CB-CG2 3.84Å; Y291-V375 PolarHBondContact O-N 3.45Å; L292-V375 HydrophobicContact CB-CB 4.24Å; L292-V375 HydrophobicContact CD2-CB 4.16Å; L292-V375 HydrophobicContact CD2-CG1 4.15Å; N373-V375 PolarHBondContact O-N 2.8Å | ||
| 376 | N | 93.7 | Very high | 84.1 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 47% | 0.465 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 139.8 | -178.3 | -64.3 | -28.5 | 0 | 0 | 0 | 111.3 | P270 P374 | P270-N376 HydrophobicContact CB-CB 4.01Å; P270-N376 VanDerWaalsContact CB-OD1 3.3Å; P270-N376 WeakPolarHBondContact CB-OD1 3.18Å; P270-N376 CarbonylContact O-C 3.51Å; P270-N376 VanDerWaalsContact O-CA 3.29Å; P270-N376 WeakPolarHBondContact O-CA 3.3Å; P374-N376 PolarHBondContact O-N 2.92Å |
| 377 | R | 87.9 | Confident | 84.5 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.9 | 167.7 | 71.7 | -179.4 | 176.7 | -168.4 | -6.8 | 109 | H267 P270 H273 | H267-R377 PolarHBondContact O-NH1 2.88Å; H267-R377 PolarHBondContact O-NH2 2.84Å; P270-R377 PolarHBondContact O-N 2.82Å; H273-R377 PolarHBondContact CE1-N 3.27Å |
| 378 | Q | 76 | Confident | 84.8 | Confident | 180 Ų | 180 | 72.6 Ų | 72.6 | 84% | 0.841 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 135.9 | 166.2 | -70.3 | -174.7 | -16.1 | 0 | 0 | 107.5 | D380 | Q378-D380 PolarHBondContact O-N 3.03Š|
| 379 | K | 67.9 | Low | 85 | Confident | 148 Ų | 148 | 68.6 Ų | 68.6 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 126.5 | 167.4 | -69.5 | -172.6 | 177 | -172.5 | 0 | 106.3 | ||
| 380 | D | 65.3 | Low | 85.1 | Confident | 131 Ų | 131 | 69.2 Ų | 69.2 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -57 | 128.4 | 174 | -63.5 | -46.1 | 0 | 0 | 0 | 108.3 | Q378 I382 | Q378-D380 PolarHBondContact O-N 3.03Å; D380-I382 PolarHBondContact O-N 3Å |
| 381 | P | 66.6 | Low | 85.1 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 60% | 0.597 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -61 | 134.5 | 176 | 24.1 | -30.3 | 0 | 0 | 0 | 108.7 | A383 | P381-A383 PolarHBondContact O-N 3.02Š|
| 382 | I | 69.1 | Low | 85 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | trans | -77.7 | 82.1 | 175.3 | -61.4 | 167.6 | 0 | 0 | 0 | 106 | D380 Y387 F407 Q459 L462 E463 V466 A480 | D380-I382 PolarHBondContact O-N 3Å; I382-Y387 HydrophobicContact CB-CE2 4.31Å; I382-Y387 HydrophobicContact CG2-CD2 3.91Å; I382-Y387 HydrophobicContact CG2-CE2 4.02Å; I382-F407 HydrophobicContact CD1-CZ 4.35Å; I382-Q459 WeakPolarHBondContact O-CG 3.16Å; I382-Q459 PolarHBondContact O-NE2 2.98Å; I382-L462 HydrophobicContact CG2-CB 4.45Å; I382-E463 HydrophobicContact CB-CG 3.78Å; I382-E463 HydrophobicContact CD1-CG 4.36Å; I382-E463 HydrophobicContact CG1-CG 4.41Å; I382-V466 HydrophobicContact CD1-CB 4Å; I382-V466 HydrophobicContact CD1-CG1 4.23Å; I382-V466 HydrophobicContact CD1-CG2 4.03Å; I382-A480 HydrophobicContact CG2-CB 4.36Å | ||
| 383 | A | 77.8 | Confident | 84.9 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | trans | -80.6 | 119.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P381 E385 L386 Y387 | P381-A383 PolarHBondContact O-N 3.02Å; A383-E385 PolarHBondContact O-N 2.83Å; A383-E385 VanDerWaalsContact O-N 3.1Å; A383-L386 HydrophobicContact CB-CD1 3.9Å; A383-L386 HydrophobicContact CB-CG 4.04Å; A383-L386 WeakPolarHBondContact O-CB 3.14Å; A383-L386 PolarHBondContact O-N 2.82Å; A383-Y387 WeakPolarHBondContact O-CD2 3.36Å; A383-Y387 WeakPolarHBondContact O-CE2 3.33Å | ||
| 384 | E | 78 | Confident | 84.8 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -48.8 | -43.3 | -173.7 | -175.6 | 174.5 | 153.3 | 0 | 0 | 112.6 | L386 Y387 D388 I409 K418 Q459 | E384-L386 PolarHBondContact O-N 3.13Å; E384-L386 VanDerWaalsContact O-N 3.16Å; E384-Y387 CarbonylContact O-C 3.55Å; E384-Y387 PolarHBondContact O-N 3.08Å; E384-Y387 VanDerWaalsContact O-N 3.09Å; E384-D388 WeakPolarHBondContact O-CB 3.41Å; E384-D388 PolarHBondContact O-N 3.14Å; E384-I409 HydrophobicContact CG-CD1 3.74Å; E384-K418 WeakPolarHBondContact OE1-CE 3.23Å; E384-K418 IonicContact OE1-NZ 3.16Å; E384-K418 PolarHBondContact OE1-NZ 2.95Å; E384-Q459 HydrophobicContact CB-CB 4.18Å; E384-Q459 HydrophobicContact CB-CG 4.34Å |
| 385 | E | 82.2 | Confident | 84.6 | Confident | 177 Ų | 177 | 80.5 Ų | 80.5 | 83% | 0.827 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58 | -28.5 | 179.6 | -59.1 | 174.7 | -168.8 | 0 | 0 | 114.2 | A383 | A383-E385 PolarHBondContact O-N 2.83Å; A383-E385 VanDerWaalsContact O-N 3.1Å |
| 386 | L | 84.2 | Confident | 84.5 | Confident | 99 Ų | 99 | 82 Ų | 82 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77.6 | -26.6 | -179.3 | -63.5 | 177.2 | 0 | 0 | 0 | 112.3 | A383 E384 G482 R483 | A383-L386 HydrophobicContact CB-CD1 3.9Å; A383-L386 HydrophobicContact CB-CG 4.04Å; A383-L386 WeakPolarHBondContact O-CB 3.14Å; A383-L386 PolarHBondContact O-N 2.82Å; E384-L386 PolarHBondContact O-N 3.13Å; E384-L386 VanDerWaalsContact O-N 3.16Å; L386-G482 WeakPolarHBondContact O-CA 3.4Å; L386-R483 PolarHBondContact O-N 3.02Å; L386-R483 VanDerWaalsContact O-N 3.15Å |
| 387 | Y | 88.5 | Confident | 84.5 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -119.3 | -1.9 | -171.9 | -45.8 | -80.4 | 0 | 0 | 0 | 113.6 | I382 A383 E384 H389 I409 A480 | I382-Y387 HydrophobicContact CB-CE2 4.31Å; I382-Y387 HydrophobicContact CG2-CD2 3.91Å; I382-Y387 HydrophobicContact CG2-CE2 4.02Å; A383-Y387 WeakPolarHBondContact O-CD2 3.36Å; A383-Y387 WeakPolarHBondContact O-CE2 3.33Å; E384-Y387 CarbonylContact O-C 3.55Å; E384-Y387 PolarHBondContact O-N 3.08Å; E384-Y387 VanDerWaalsContact O-N 3.09Å; Y387-H389 PolarHBondContact O-CD2 3.49Å; Y387-I409 PolarHBondContact O-N 2.86Å; Y387-A480 VanDerWaalsContact CD1-C 3.46Å; Y387-A480 HydrophobicContact CD1-CB 3.28Å; Y387-A480 HydrophobicContact CD2-CB 3.89Å; Y387-A480 HydrophobicContact CE1-CB 3.47Å; Y387-A480 VanDerWaalsContact CE1-CB 3.47Å; Y387-A480 WeakPolarHBondContact CE1-O 3.14Å; Y387-A480 HydrophobicContact CE2-CB 4.09Å; Y387-A480 HydrophobicContact CG-CB 3.49Å; Y387-A480 VanDerWaalsContact CG-CB 3.49Å |
| 388 | D | 90.6 | Very high | 84.8 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 117.4 | 163.2 | -175.2 | -28.3 | 0 | 0 | 0 | 108 | E384 G390 I409 K418 R483 | E384-D388 WeakPolarHBondContact O-CB 3.41Å; E384-D388 PolarHBondContact O-N 3.14Å; D388-G390 WeakPolarHBondContact OD1-CA 3.49Å; D388-G390 PolarHBondContact OD1-N 2.78Å; D388-I409 CarbonylContact C-O 3.53Å; D388-I409 WeakPolarHBondContact CA-O 3.44Å; D388-I409 HydrophobicContact CB-CB 4.24Å; D388-I409 HydrophobicContact CB-CG2 4.14Å; D388-K418 WeakPolarHBondContact OD2-CE 3.47Å; D388-K418 IonicContact OD2-NZ 3.86Å; D388-K418 PolarHBondContact OD2-NZ 3.14Å; D388-R483 PolarHBondContact O-NE 3.3Å; D388-R483 PolarHBondContact O-NH2 3.08Å; D388-R483 IonicContact OD1-NH2 3.64Å |
| 389 | H | 93.6 | Very high | 85.5 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -1.2 | 179.6 | -71.8 | -113.4 | 0 | 0 | 0 | 113.3 | Y387 I392 R400 I409 I481 G482 R483 | Y387-H389 PolarHBondContact O-CD2 3.49Å; H389-I392 HydrophobicContact CB-CD1 3.53Å; H389-I392 HydrophobicContact CB-CG1 3.96Å; H389-I392 HydrophobicContact CB-CG2 4.42Å; H389-R400 PolarHBondContact CE1-NH1 2.93Å; H389-R400 VanDerWaalsContact CE1-NH1 3.25Å; H389-R400 PolarHBondContact ND1-NH1 2.85Å; H389-I409 PolarHBondContact N-O 2.75Å; H389-I481 PolarHBondContact NE2-O 3.43Å; H389-G482 VanDerWaalsContact CE1-C 3.42Å; H389-G482 PolarHBondContact CE1-O 2.69Å; H389-G482 PolarHBondContact NE2-O 3.1Å; H389-R483 VanDerWaalsContact CA-NE 3.34Å |
| 390 | G | 92 | Very high | 86.7 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -146.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D388 I392 R410 T411 | D388-G390 WeakPolarHBondContact OD1-CA 3.49Å; D388-G390 PolarHBondContact OD1-N 2.78Å; G390-I392 PolarHBondContact O-N 2.88Å; G390-I392 VanDerWaalsContact O-N 3.14Å; G390-R410 WeakPolarHBondContact O-CA 3.3Å; G390-T411 PolarHBondContact O-N 3.02Å |
| 391 | E | 93.6 | Very high | 88.1 | Confident | 131 Ų | 131 | 66.5 Ų | 66.5 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 98.7 | -177.5 | -170.6 | 175.8 | 163 | 0 | 0 | 111 | T411 P413 | E391-T411 WeakPolarHBondContact CA-O 3.38Å; E391-P413 HydrophobicContact CG-CB 3.82Å; E391-P413 HydrophobicContact CG-CG 3.61Å; E391-P413 VanDerWaalsContact OE1-CA 3.3Å; E391-P413 WeakPolarHBondContact OE1-CA 3.25Å; E391-P413 VanDerWaalsContact OE1-CB 3.22Å; E391-P413 WeakPolarHBondContact OE1-CB 3.25Å |
| 392 | I | 94 | Very high | 89.1 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -135.6 | 147.2 | 173.8 | 61.7 | 163.2 | 0 | 0 | 0 | 111.3 | H389 G390 V396 L408 R410 T411 | H389-I392 HydrophobicContact CB-CD1 3.53Å; H389-I392 HydrophobicContact CB-CG1 3.96Å; H389-I392 HydrophobicContact CB-CG2 4.42Å; G390-I392 PolarHBondContact O-N 2.88Å; G390-I392 VanDerWaalsContact O-N 3.14Å; I392-V396 HydrophobicContact CB-CB 4.3Å; I392-V396 HydrophobicContact CB-CG1 4.27Å; I392-V396 HydrophobicContact CD1-CG1 4.2Å; I392-V396 HydrophobicContact CG2-CG1 4.43Å; I392-L408 HydrophobicContact CD1-CD1 4.03Å; I392-L408 HydrophobicContact CD1-CD2 4.31Å; I392-R410 HydrophobicContact CD1-CB 4.26Å; I392-R410 HydrophobicContact CG1-CB 3.61Å; I392-R410 HydrophobicContact CG1-CG 4.41Å; I392-R410 WeakPolarHBondContact O-CD 3.13Å; I392-R410 PolarHBondContact O-NH1 3.19Å; I392-T411 PolarHBondContact N-O 2.81Å | ||
| 393 | D | 92.9 | Very high | 89.8 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | trans | -72.7 | 161.8 | 177.1 | -69.7 | -47.3 | 0 | 0 | 0 | 112.8 | D395 V396 S397 P413 | D393-D395 PolarHBondContact O-N 3.15Å; D393-V396 HydrophobicContact CB-CG2 4.46Å; D393-V396 PolarHBondContact O-N 2.97Å; D393-S397 PolarHBondContact O-N 3.25Å; D393-S397 VanDerWaalsContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 3.31Å; D393-P413 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 394 | R | 93.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 67.2 Ų | 67.2 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 175.3 | -172.1 | 176.7 | 177.7 | -148.2 | -0.8 | 111.8 | S397 F398 D427 V428 | R394-S397 VanDerWaalsContact O-CB 3.31Å; R394-S397 WeakPolarHBondContact O-CB 3.44Å; R394-S397 PolarHBondContact O-N 3.17Å; R394-F398 PolarHBondContact O-N 3.18Å; R394-D427 IonicContact CZ-OD1 3.76Å; R394-D427 VanDerWaalsContact NH2-CG 3.29Å; R394-D427 IonicContact NH2-OD1 2.86Å; R394-D427 PolarHBondContact NH2-OD1 2.92Å; R394-D427 IonicContact NH2-OD2 3.03Å; R394-D427 PolarHBondContact NH2-OD2 3.17Å; R394-V428 HydrophobicContact CG-CB 4.44Å; R394-V428 HydrophobicContact CG-CG1 4.23Å; R394-V428 PolarHBondContact NE-O 2.66Å; R394-V428 PolarHBondContact NH2-O 2.72Å |
| 395 | D | 93.2 | Very high | 90.7 | Very high | 118 Ų | 118 | 65 Ų | 65 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 178.8 | -66.7 | -15.4 | 0 | 0 | 0 | 112.1 | D393 S397 F398 F399 | D393-D395 PolarHBondContact O-N 3.15Å; D395-S397 PolarHBondContact O-N 2.86Å; D395-F398 WeakPolarHBondContact O-CB 3.04Å; D395-F398 PolarHBondContact O-N 2.87Å; D395-F399 WeakPolarHBondContact O-CD2 3.35Å; D395-F399 PolarHBondContact O-N 3.15Å |
| 396 | V | 93.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | I392 D393 F399 R400 | I392-V396 HydrophobicContact CB-CB 4.3Å; I392-V396 HydrophobicContact CB-CG1 4.27Å; I392-V396 HydrophobicContact CD1-CG1 4.2Å; I392-V396 HydrophobicContact CG2-CG1 4.43Å; D393-V396 HydrophobicContact CB-CG2 4.46Å; D393-V396 PolarHBondContact O-N 2.97Å; V396-F399 PolarHBondContact O-N 3.16Å; V396-R400 WeakPolarHBondContact O-CG 3.47Å; V396-R400 PolarHBondContact O-N 3.1Å; V396-R400 VanDerWaalsContact O-N 3.15Å |
| 397 | S | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | D393 R394 D395 F399 R400 L401 R410 | D393-S397 PolarHBondContact O-N 3.25Å; D393-S397 VanDerWaalsContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 3.31Å; R394-S397 VanDerWaalsContact O-CB 3.31Å; R394-S397 WeakPolarHBondContact O-CB 3.44Å; R394-S397 PolarHBondContact O-N 3.17Å; D395-S397 PolarHBondContact O-N 2.86Å; S397-F399 VanDerWaalsContact C-N 3.29Å; S397-F399 PolarHBondContact O-N 3.23Å; S397-R400 PolarHBondContact O-N 2.72Å; S397-R400 VanDerWaalsContact O-N 3.12Å; S397-L401 WeakPolarHBondContact O-CB 3.44Å; S397-L401 VanDerWaalsContact O-CG 3.26Å; S397-L401 WeakPolarHBondContact O-CG 3.49Å; S397-L401 PolarHBondContact O-N 2.95Å; S397-R410 WeakPolarHBondContact OG-CD 3.31Å |
| 398 | F | 94.1 | Very high | 92 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.3 | -39.2 | 176.4 | -176.3 | -86 | 0 | 0 | 0 | 113.3 | R394 D395 L401 R423 D426 V428 | R394-F398 PolarHBondContact O-N 3.18Å; D395-F398 WeakPolarHBondContact O-CB 3.04Å; D395-F398 PolarHBondContact O-N 2.87Å; F398-L401 VanDerWaalsContact O-O 3.1Å; F398-R423 PolarHBondContact O-NH1 2.93Å; F398-D426 WeakPolarHBondContact CE2-O 3.29Å; F398-V428 HydrophobicContact CB-CG2 3.93Å; F398-V428 HydrophobicContact CD2-CG2 3.9Å; F398-V428 HydrophobicContact CG-CG2 4.35Å |
| 399 | F | 91.8 | Very high | 92.1 | Very high | 164 Ų | 164 | 49.4 Ų | 49.4 | 72% | 0.719 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -76.7 | -28.3 | 177.2 | -68.3 | -66.1 | 0 | 0 | 0 | 113.6 | D395 V396 S397 | D395-F399 WeakPolarHBondContact O-CD2 3.35Å; D395-F399 PolarHBondContact O-N 3.15Å; V396-F399 PolarHBondContact O-N 3.16Å; S397-F399 VanDerWaalsContact C-N 3.29Å; S397-F399 PolarHBondContact O-N 3.23Å |
| 400 | R | 92.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.7 | -36.2 | 178.1 | -71.4 | -176.5 | -175.7 | -128.6 | -9.6 | 112.8 | H389 V396 S397 L408 | H389-R400 PolarHBondContact CE1-NH1 2.93Å; H389-R400 VanDerWaalsContact CE1-NH1 3.25Å; H389-R400 PolarHBondContact ND1-NH1 2.85Å; V396-R400 WeakPolarHBondContact O-CG 3.47Å; V396-R400 PolarHBondContact O-N 3.1Å; V396-R400 VanDerWaalsContact O-N 3.15Å; S397-R400 PolarHBondContact O-N 2.72Å; S397-R400 VanDerWaalsContact O-N 3.12Å; R400-L408 HydrophobicContact CB-CD2 4.03Å |
| 401 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -85.9 | 114.8 | -179.9 | -56.4 | 177.9 | 0 | 0 | 0 | 108.8 | S397 F398 D406 L408 S421 R423 V428 I481 | S397-L401 WeakPolarHBondContact O-CB 3.44Å; S397-L401 VanDerWaalsContact O-CG 3.26Å; S397-L401 WeakPolarHBondContact O-CG 3.49Å; S397-L401 PolarHBondContact O-N 2.95Å; F398-L401 VanDerWaalsContact O-O 3.1Å; L401-D406 HydrophobicContact CB-CB 4.16Å; L401-D406 HydrophobicContact CD2-CB 3.92Å; L401-L408 HydrophobicContact CD1-CG 4.36Å; L401-L408 HydrophobicContact CD2-CB 4.22Å; L401-L408 HydrophobicContact CD2-CD2 3.81Å; L401-L408 HydrophobicContact CD2-CG 3.9Å; L401-L408 HydrophobicContact CG-CD2 4.08Å; L401-L408 HydrophobicContact CG-CG 4.31Å; L401-S421 WeakPolarHBondContact CD1-O 3.31Å; L401-R423 HydrophobicContact CB-CB 3.59Å; L401-R423 HydrophobicContact CD1-CB 4.33Å; L401-R423 WeakPolarHBondContact O-CD 3.32Å; L401-R423 PolarHBondContact O-NH1 2.94Å; L401-V428 HydrophobicContact CD1-CG1 4.32Å; L401-V428 HydrophobicContact CD1-CG2 4.13Å; L401-I481 HydrophobicContact CD2-CB 4.12Å; L401-I481 HydrophobicContact CD2-CG1 3.76Å | ||
| 402 | T | 87.6 | Confident | 92 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 52% | 0.521 | 22% | 0.216 | S | C | . | . | trans | -104.9 | -25.7 | -168.8 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | D406 R479 | T402-D406 PolarHBondContact N-OD2 2.64Å; T402-D406 PolarHBondContact OG1-OD2 2.7Å; T402-R479 PolarHBondContact OG1-NH2 3.41Å | ||
| 403 | Q | 84.6 | Confident | 91.7 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -130.1 | 155.5 | -172 | -64.4 | 165.7 | 24.8 | 0 | 0 | 111.2 | D208 G405 D406 | D208-Q403 HydrophobicContact CB-CG 4.41Å; D208-Q403 PolarHBondContact O-NE2 2.97Å; D208-Q403 PolarHBondContact O-OE1 3.05Å; Q403-G405 PolarHBondContact O-N 3.44Å; Q403-D406 PolarHBondContact N-OD2 2.86Å; Q403-D406 WeakPolarHBondContact O-CB 3.35Å; Q403-D406 PolarHBondContact O-N 2.87Å |
| 404 | D | 86.9 | Confident | 91.5 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 122.8 | 173.7 | -78.8 | -8.2 | 0 | 0 | 0 | 111.2 | T233 D406 R423 W424 H425 | T233-D404 PolarHBondContact OG1-OD2 3.2Å; D404-D406 VanDerWaalsContact C-N 3.34Å; D404-R423 CarbonylContact C-O 3.54Å; D404-R423 WeakPolarHBondContact CA-O 3.33Å; D404-W424 HydrophobicContact CB-CE3 4.11Å; D404-W424 HydrophobicContact CB-CZ3 4.29Å; D404-H425 PolarHBondContact OD1-N 3.11Å |
| 405 | G | 88.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 1.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q403 F407 R423 C476 K478 R479 | Q403-G405 PolarHBondContact O-N 3.44Å; G405-F407 PolarHBondContact O-N 2.89Å; G405-R423 PolarHBondContact N-O 3.06Å; G405-C476 WeakPolarHBondContact CA-O 3.3Å; G405-K478 PolarHBondContact O-N 2.83Å; G405-R479 PolarHBondContact O-N 2.95Å; G405-R479 VanDerWaalsContact O-N 3.13Å |
| 406 | D | 91.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 132.2 | 159.9 | -76.9 | -14.5 | 0 | 0 | 0 | 108.1 | L401 T402 Q403 D404 V422 R423 R479 I481 | L401-D406 HydrophobicContact CB-CB 4.16Å; L401-D406 HydrophobicContact CD2-CB 3.92Å; T402-D406 PolarHBondContact N-OD2 2.64Å; T402-D406 PolarHBondContact OG1-OD2 2.7Å; Q403-D406 PolarHBondContact N-OD2 2.86Å; Q403-D406 WeakPolarHBondContact O-CB 3.35Å; Q403-D406 PolarHBondContact O-N 2.87Å; D404-D406 VanDerWaalsContact C-N 3.34Å; D406-V422 CarbonylContact O-C 3.58Å; D406-V422 WeakPolarHBondContact O-CA 3.41Å; D406-V422 WeakPolarHBondContact O-CG2 3.46Å; D406-R423 PolarHBondContact O-N 2.84Å; D406-R479 CarbonylContact C-O 3.57Å; D406-R479 WeakPolarHBondContact CA-O 3.44Å; D406-R479 IonicContact OD1-CZ 2.79Å; D406-R479 IonicContact OD1-NE 2.58Å; D406-R479 PolarHBondContact OD1-NE 3.43Å; D406-R479 IonicContact OD1-NH2 2.64Å; D406-R479 PolarHBondContact OD1-NH2 2.84Å; D406-R479 IonicContact OD2-CZ 4Å; D406-R479 IonicContact OD2-NH2 2.81Å; D406-R479 PolarHBondContact OD2-NH2 3.38Å; D406-I481 HydrophobicContact CB-CD1 4.22Å; D406-I481 HydrophobicContact CB-CG1 3.89Å |
| 407 | F | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157 | 177.6 | 70.5 | -86.5 | 0 | 0 | 0 | 112.1 | I382 G405 V420 S421 V422 L462 V466 L477 R479 A480 I481 | I382-F407 HydrophobicContact CD1-CZ 4.35Å; G405-F407 PolarHBondContact O-N 2.89Å; F407-V420 HydrophobicContact CB-CG1 4.14Å; F407-V420 HydrophobicContact CD2-CG1 3.92Å; F407-V420 HydrophobicContact CG-CG1 4.36Å; F407-S421 CarbonylContact C-O 3.54Å; F407-S421 WeakPolarHBondContact CA-O 3.21Å; F407-S421 WeakPolarHBondContact CB-O 3.47Å; F407-V422 HydrophobicContact CB-CB 4.05Å; F407-V422 HydrophobicContact CB-CG2 4.28Å; F407-L462 HydrophobicContact CE2-CD1 4.16Å; F407-L462 HydrophobicContact CE2-CD2 4.17Å; F407-V466 HydrophobicContact CE1-CG2 3.56Å; F407-V466 HydrophobicContact CZ-CG2 3.74Å; F407-L477 HydrophobicContact CB-CD2 4.03Å; F407-L477 HydrophobicContact CD1-CB 3.81Å; F407-L477 HydrophobicContact CD1-CD2 4.22Å; F407-L477 HydrophobicContact CD1-CG 4.42Å; F407-L477 HydrophobicContact CE1-CB 3.91Å; F407-L477 HydrophobicContact CG-CB 4.48Å; F407-L477 HydrophobicContact CG-CD1 4.5Å; F407-L477 HydrophobicContact CG-CD2 4.18Å; F407-R479 VanDerWaalsContact CD1-O 3.27Å; F407-R479 WeakPolarHBondContact CD1-O 3.43Å; F407-R479 VanDerWaalsContact CE1-C 3.4Å; F407-R479 PolarHBondContact N-O 3.05Å; F407-A480 HydrophobicContact CD2-CB 4.46Å; F407-A480 HydrophobicContact CE1-CB 4.05Å; F407-A480 HydrophobicContact CE2-CB 3.72Å; F407-A480 HydrophobicContact CZ-CB 3.5Å; F407-A480 CarbonylContact O-C 3.54Å; F407-A480 WeakPolarHBondContact O-CA 3.25Å; F407-I481 PolarHBondContact O-N 3Å |
| 408 | L | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 162.4 | 171 | 62 | 78.4 | 0 | 0 | 0 | 109.4 | I392 R400 L401 R410 V420 S421 | I392-L408 HydrophobicContact CD1-CD1 4.03Å; I392-L408 HydrophobicContact CD1-CD2 4.31Å; R400-L408 HydrophobicContact CB-CD2 4.03Å; L401-L408 HydrophobicContact CD1-CG 4.36Å; L401-L408 HydrophobicContact CD2-CB 4.22Å; L401-L408 HydrophobicContact CD2-CD2 3.81Å; L401-L408 HydrophobicContact CD2-CG 3.9Å; L401-L408 HydrophobicContact CG-CD2 4.08Å; L401-L408 HydrophobicContact CG-CG 4.31Å; L408-R410 HydrophobicContact CD1-CB 3.9Å; L408-R410 HydrophobicContact CD1-CG 4.23Å; L408-V420 CarbonylContact O-C 3.4Å; L408-S421 PolarHBondContact N-O 3.01Å; L408-S421 PolarHBondContact O-N 2.93Å |
| 409 | I | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.4 | 173.5 | -61.4 | 168.3 | 0 | 0 | 0 | 107.2 | E384 Y387 D388 H389 K418 V419 V420 L458 L462 | E384-I409 HydrophobicContact CG-CD1 3.74Å; Y387-I409 PolarHBondContact O-N 2.86Å; D388-I409 CarbonylContact C-O 3.53Å; D388-I409 WeakPolarHBondContact CA-O 3.44Å; D388-I409 HydrophobicContact CB-CB 4.24Å; D388-I409 HydrophobicContact CB-CG2 4.14Å; H389-I409 PolarHBondContact N-O 2.75Å; I409-K418 HydrophobicContact CG2-CD 4.13Å; I409-K418 HydrophobicContact CG2-CG 3.86Å; I409-V419 WeakPolarHBondContact CA-O 3.4Å; I409-V420 HydrophobicContact CG1-CG2 4.23Å; I409-L458 HydrophobicContact CD1-CD2 3.98Å; I409-L458 HydrophobicContact CD1-CG 4.47Å; I409-L458 HydrophobicContact CG1-CD2 4.45Å; I409-L462 HydrophobicContact CD1-CD1 3.69Å; I409-L462 HydrophobicContact CG1-CD1 4.14Å |
| 410 | R | 92.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.3 | 174.3 | 68.7 | -176.8 | -173.8 | 82.4 | 9.6 | 111.6 | G390 I392 S397 L408 K418 V419 S421 D430 | G390-R410 WeakPolarHBondContact O-CA 3.3Å; I392-R410 HydrophobicContact CD1-CB 4.26Å; I392-R410 HydrophobicContact CG1-CB 3.61Å; I392-R410 HydrophobicContact CG1-CG 4.41Å; I392-R410 WeakPolarHBondContact O-CD 3.13Å; I392-R410 PolarHBondContact O-NH1 3.19Å; S397-R410 WeakPolarHBondContact OG-CD 3.31Å; L408-R410 HydrophobicContact CD1-CB 3.9Å; L408-R410 HydrophobicContact CD1-CG 4.23Å; R410-K418 WeakPolarHBondContact O-CA 3.47Å; R410-V419 HydrophobicContact CG-CG2 3.71Å; R410-V419 PolarHBondContact N-O 3.44Å; R410-V419 PolarHBondContact O-N 2.58Å; R410-S421 VanDerWaalsContact CD-OG 3.3Å; R410-S421 WeakPolarHBondContact CD-OG 3.13Å; R410-S421 PolarHBondContact NE-OG 3.1Å; R410-D430 IonicContact CZ-OD1 3.65Å; R410-D430 IonicContact CZ-OD2 3.91Å; R410-D430 IonicContact NE-OD1 2.76Å; R410-D430 IonicContact NH2-OD1 2.9Å; R410-D430 PolarHBondContact NH2-OD1 2.91Å; R410-D430 IonicContact NH2-OD2 2.67Å; R410-D430 PolarHBondContact NH2-OD2 3.43Å |
| 411 | T | 91.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 35 Ų | 35 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.2 | 167.4 | -59.1 | 0 | 0 | 0 | 0 | 108.6 | G390 E391 I392 P413 D416 M417 | G390-T411 PolarHBondContact O-N 3.02Å; E391-T411 WeakPolarHBondContact CA-O 3.38Å; I392-T411 PolarHBondContact N-O 2.81Å; T411-P413 WeakPolarHBondContact O-CD 3.33Å; T411-D416 VanDerWaalsContact CG2-OD1 3.23Å; T411-D416 WeakPolarHBondContact CG2-OD1 3.06Å; T411-M417 WeakPolarHBondContact CA-O 3.4Å |
| 412 | I | 91.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 35 Ų | 35 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.7 | 176.8 | -60.1 | 176.7 | 0 | 0 | 0 | 108.9 | S414 T415 D416 M417 V419 | I412-S414 VanDerWaalsContact C-N 3.27Å; I412-S414 PolarHBondContact O-N 3.18Å; I412-S414 VanDerWaalsContact O-N 3.14Å; I412-T415 WeakPolarHBondContact CB-OG1 3.3Å; I412-T415 PolarHBondContact O-N 3.14Å; I412-D416 WeakPolarHBondContact O-CA 3.43Å; I412-D416 PolarHBondContact O-N 3.38Å; I412-M417 HydrophobicContact CD1-CB 4.49Å; I412-M417 HydrophobicContact CD1-CE 3.73Å; I412-M417 PolarHBondContact N-O 2.82Å; I412-V419 HydrophobicContact CD1-CG1 3.72Å; I412-V419 HydrophobicContact CD1-CG2 4.1Å; I412-V419 HydrophobicContact CG1-CG1 4.24Å; I412-V419 HydrophobicContact CG1-CG2 3.88Å |
| 413 | P | 88.4 | Confident | 90.8 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -35.7 | -174.6 | -30.2 | 37 | 0 | 0 | 0 | 115.6 | E391 D393 T411 | E391-P413 HydrophobicContact CG-CB 3.82Å; E391-P413 HydrophobicContact CG-CG 3.61Å; E391-P413 VanDerWaalsContact OE1-CA 3.3Å; E391-P413 WeakPolarHBondContact OE1-CA 3.25Å; E391-P413 VanDerWaalsContact OE1-CB 3.22Å; E391-P413 WeakPolarHBondContact OE1-CB 3.25Å; D393-P413 WeakPolarHBondContact OD1-CG 3.48Å; T411-P413 WeakPolarHBondContact O-CD 3.33Å |
| 414 | S | 87.2 | Confident | 91.1 | Very high | 107 Ų | 107 | 31.5 Ų | 31.5 | 75% | 0.748 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19 | -175.1 | 56 | 0 | 0 | 0 | 0 | 114.7 | I412 | I412-S414 VanDerWaalsContact C-N 3.27Å; I412-S414 PolarHBondContact O-N 3.18Å; I412-S414 VanDerWaalsContact O-N 3.14Å |
| 415 | T | 88.4 | Confident | 91 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 52% | 0.521 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -9.8 | -172.6 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | I412 M417 | I412-T415 WeakPolarHBondContact CB-OG1 3.3Å; I412-T415 PolarHBondContact O-N 3.14Å; T415-M417 PolarHBondContact O-N 2.88Å; T415-M417 VanDerWaalsContact O-N 3.08Å; T415-M417 VanDerWaalsContact OG1-CB 3.25Å; T415-M417 WeakPolarHBondContact OG1-CB 3.45Å; T415-M417 PolarHBondContact OG1-N 3.17Å |
| 416 | D | 85.2 | Confident | 90.8 | Very high | 130 Ų | 130 | 41 Ų | 41 | 70% | 0.695 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 17.5 | -169.7 | -158.1 | 29.7 | 0 | 0 | 0 | 112.9 | T411 I412 | T411-D416 VanDerWaalsContact CG2-OD1 3.23Å; T411-D416 WeakPolarHBondContact CG2-OD1 3.06Å; I412-D416 WeakPolarHBondContact O-CA 3.43Å; I412-D416 PolarHBondContact O-N 3.38Å |
| 417 | M | 87.6 | Confident | 90.8 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.7 | -178.7 | -172.9 | 172.5 | 68.8 | 0 | 0 | 110.1 | T411 I412 T415 V419 Q432 | T411-M417 WeakPolarHBondContact CA-O 3.4Å; I412-M417 HydrophobicContact CD1-CB 4.49Å; I412-M417 HydrophobicContact CD1-CE 3.73Å; I412-M417 PolarHBondContact N-O 2.82Å; T415-M417 PolarHBondContact O-N 2.88Å; T415-M417 VanDerWaalsContact O-N 3.08Å; T415-M417 VanDerWaalsContact OG1-CB 3.25Å; T415-M417 WeakPolarHBondContact OG1-CB 3.45Å; T415-M417 PolarHBondContact OG1-N 3.17Å; M417-V419 HydrophobicContact CE-CG1 3.7Å; M417-V419 HydrophobicContact CG-CG1 4.3Å; M417-Q432 HydrophobicContact SD-CG 4.47Å |
| 418 | K | 88.9 | Confident | 90.7 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.3 | 173.1 | -165.3 | 168 | -170.3 | 161.2 | 0 | 110.5 | E384 D388 I409 R410 | E384-K418 WeakPolarHBondContact OE1-CE 3.23Å; E384-K418 IonicContact OE1-NZ 3.16Å; E384-K418 PolarHBondContact OE1-NZ 2.95Å; D388-K418 WeakPolarHBondContact OD2-CE 3.47Å; D388-K418 IonicContact OD2-NZ 3.86Å; D388-K418 PolarHBondContact OD2-NZ 3.14Å; I409-K418 HydrophobicContact CG2-CD 4.13Å; I409-K418 HydrophobicContact CG2-CG 3.86Å; R410-K418 WeakPolarHBondContact O-CA 3.47Å |
| 419 | V | 92.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.6 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | I409 R410 I412 M417 D430 | I409-V419 WeakPolarHBondContact CA-O 3.4Å; R410-V419 HydrophobicContact CG-CG2 3.71Å; R410-V419 PolarHBondContact N-O 3.44Å; R410-V419 PolarHBondContact O-N 2.58Å; I412-V419 HydrophobicContact CD1-CG1 3.72Å; I412-V419 HydrophobicContact CD1-CG2 4.1Å; I412-V419 HydrophobicContact CG1-CG1 4.24Å; I412-V419 HydrophobicContact CG1-CG2 3.88Å; M417-V419 HydrophobicContact CE-CG1 3.7Å; M417-V419 HydrophobicContact CG-CG1 4.3Å; V419-D430 HydrophobicContact CB-CB 4.29Å; V419-D430 HydrophobicContact CG2-CB 4.25Å |
| 420 | V | 94.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 106.5 | 167.2 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | F407 L408 I409 L431 L433 L458 L462 L477 | F407-V420 HydrophobicContact CB-CG1 4.14Å; F407-V420 HydrophobicContact CD2-CG1 3.92Å; F407-V420 HydrophobicContact CG-CG1 4.36Å; L408-V420 CarbonylContact O-C 3.4Å; I409-V420 HydrophobicContact CG1-CG2 4.23Å; V420-L431 HydrophobicContact CB-CB 4.31Å; V420-L431 PolarHBondContact N-O 3.25Å; V420-L431 WeakPolarHBondContact O-CB 3.37Å; V420-L431 PolarHBondContact O-N 3.34Å; V420-L433 HydrophobicContact CB-CD1 4.14Å; V420-L433 HydrophobicContact CG2-CD1 3.43Å; V420-L433 VanDerWaalsContact CG2-CD1 3.43Å; V420-L433 HydrophobicContact CG2-CG 4.31Å; V420-L458 HydrophobicContact CG2-CD1 4.17Å; V420-L462 HydrophobicContact CG1-CD2 4.31Å; V420-L462 HydrophobicContact CG2-CD1 4.45Å; V420-L462 HydrophobicContact CG2-CD2 4.26Å; V420-L477 HydrophobicContact CG1-CD1 4.33Å |
| 421 | S | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.5 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 109.5 | L401 F407 L408 R410 L429 D430 | L401-S421 WeakPolarHBondContact CD1-O 3.31Å; F407-S421 CarbonylContact C-O 3.54Å; F407-S421 WeakPolarHBondContact CA-O 3.21Å; F407-S421 WeakPolarHBondContact CB-O 3.47Å; L408-S421 PolarHBondContact N-O 3.01Å; L408-S421 PolarHBondContact O-N 2.93Å; R410-S421 VanDerWaalsContact CD-OG 3.3Å; R410-S421 WeakPolarHBondContact CD-OG 3.13Å; R410-S421 PolarHBondContact NE-OG 3.1Å; S421-L429 WeakPolarHBondContact CA-O 3.34Å; S421-D430 PolarHBondContact OG-OD1 3.16Å |
| 422 | V | 95.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.2 | -178.1 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | D406 F407 V428 L429 L431 I475 L477 | D406-V422 CarbonylContact O-C 3.58Å; D406-V422 WeakPolarHBondContact O-CA 3.41Å; D406-V422 WeakPolarHBondContact O-CG2 3.46Å; F407-V422 HydrophobicContact CB-CB 4.05Å; F407-V422 HydrophobicContact CB-CG2 4.28Å; V422-V428 CarbonylContact O-C 3.52Å; V422-V428 WeakPolarHBondContact O-CA 3.35Å; V422-L429 HydrophobicContact CG1-CB 4.13Å; V422-L429 PolarHBondContact N-O 3.26Å; V422-L429 PolarHBondContact O-N 3.1Å; V422-L431 HydrophobicContact CG1-CD1 3.92Å; V422-L431 HydrophobicContact CG1-CG 4.03Å; V422-I475 HydrophobicContact CG1-CD1 4.32Å; V422-I475 HydrophobicContact CG1-CG2 3.89Å; V422-I475 HydrophobicContact CG2-CG2 3.85Å; V422-L477 HydrophobicContact CB-CD2 3.86Å; V422-L477 HydrophobicContact CG1-CD2 4.36Å; V422-L477 HydrophobicContact CG2-CD2 3.68Å |
| 423 | R | 92.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128 | 168.7 | 176.3 | 165.6 | -170.6 | 129 | 9.6 | 109.3 | F398 L401 D404 G405 D406 D426 D427 V428 | F398-R423 PolarHBondContact O-NH1 2.93Å; L401-R423 HydrophobicContact CB-CB 3.59Å; L401-R423 HydrophobicContact CD1-CB 4.33Å; L401-R423 WeakPolarHBondContact O-CD 3.32Å; L401-R423 PolarHBondContact O-NH1 2.94Å; D404-R423 CarbonylContact C-O 3.54Å; D404-R423 WeakPolarHBondContact CA-O 3.33Å; G405-R423 PolarHBondContact N-O 3.06Å; D406-R423 PolarHBondContact O-N 2.84Å; R423-D426 IonicContact CZ-OD1 3.54Å; R423-D426 IonicContact NH2-OD1 2.7Å; R423-D426 PolarHBondContact NH2-OD1 3.2Å; R423-D427 CarbonylContact C-O 3.55Å; R423-D427 VanDerWaalsContact CA-O 3.31Å; R423-D427 WeakPolarHBondContact CA-O 3.36Å; R423-V428 HydrophobicContact CB-CG2 4.5Å |
| 424 | W | 90.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 123.1 | 177 | -161.2 | -100.7 | 0 | 0 | 0 | 109.9 | W185 T233 D404 D426 D427 L429 N474 I475 C476 | W185-W424 HydrophobicContact CZ2-CZ2 4.32Å; T233-W424 HydrophobicContact CG2-CH2 3.53Å; T233-W424 HydrophobicContact CG2-CZ2 3.62Å; T233-W424 HydrophobicContact CG2-CZ3 4.44Å; D404-W424 HydrophobicContact CB-CE3 4.11Å; D404-W424 HydrophobicContact CB-CZ3 4.29Å; W424-D426 PolarHBondContact O-N 2.98Å; W424-D427 PolarHBondContact N-O 3.03Å; W424-D427 PolarHBondContact O-N 2.7Å; W424-L429 HydrophobicContact CB-CD1 4.07Å; W424-N474 PolarHBondContact NE1-O 3.17Å; W424-N474 VanDerWaalsContact NE1-O 3.15Å; W424-I475 HydrophobicContact CB-CG1 4.38Å; W424-I475 HydrophobicContact CB-CG2 4.49Å; W424-I475 HydrophobicContact CD2-CB 4.38Å; W424-I475 HydrophobicContact CD2-CG1 4.35Å; W424-I475 HydrophobicContact CD2-CG2 4Å; W424-I475 HydrophobicContact CE3-CG2 3.9Å; W424-I475 HydrophobicContact CG-CG1 4.02Å; W424-I475 HydrophobicContact CG-CG2 4.27Å; W424-I475 HydrophobicContact CZ3-CG2 4.47Å; W424-C476 HydrophobicContact CH2-CB 3.81Å; W424-C476 HydrophobicContact CZ3-CB 4.02Å; W424-C476 VanDerWaalsContact CZ3-O 3.26Å; W424-C476 WeakPolarHBondContact CZ3-O 3.48Å |
| 425 | H | 84.7 | Confident | 87.3 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 49.6 | 176.3 | -159.7 | 69.9 | 0 | 0 | 0 | 113.1 | D404 D427 | D404-H425 PolarHBondContact OD1-N 3.11Å; H425-D427 PolarHBondContact O-N 2.89Å; H425-D427 VanDerWaalsContact O-N 3.11Å |
| 426 | D | 84.3 | Confident | 85.7 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 17.6 | -178.9 | -72.5 | -40.6 | 0 | 0 | 0 | 116.1 | F398 R423 W424 | F398-D426 WeakPolarHBondContact CE2-O 3.29Å; R423-D426 IonicContact CZ-OD1 3.54Å; R423-D426 IonicContact NH2-OD1 2.7Å; R423-D426 PolarHBondContact NH2-OD1 3.2Å; W424-D426 PolarHBondContact O-N 2.98Å |
| 427 | D | 90.8 | Very high | 84.2 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 165.5 | 166.3 | -162 | 7.3 | 0 | 0 | 0 | 110.7 | R394 R423 W424 H425 | R394-D427 IonicContact CZ-OD1 3.76Å; R394-D427 VanDerWaalsContact NH2-CG 3.29Å; R394-D427 IonicContact NH2-OD1 2.86Å; R394-D427 PolarHBondContact NH2-OD1 2.92Å; R394-D427 IonicContact NH2-OD2 3.03Å; R394-D427 PolarHBondContact NH2-OD2 3.17Å; R423-D427 CarbonylContact C-O 3.55Å; R423-D427 VanDerWaalsContact CA-O 3.31Å; R423-D427 WeakPolarHBondContact CA-O 3.36Å; W424-D427 PolarHBondContact N-O 3.03Å; W424-D427 PolarHBondContact O-N 2.7Å; H425-D427 PolarHBondContact O-N 2.89Å; H425-D427 VanDerWaalsContact O-N 3.11Å |
| 428 | V | 94.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.4 | 167.5 | 170.3 | 0 | 0 | 0 | 0 | 109.4 | R394 F398 L401 V422 R423 | R394-V428 HydrophobicContact CG-CB 4.44Å; R394-V428 HydrophobicContact CG-CG1 4.23Å; R394-V428 PolarHBondContact NE-O 2.66Å; R394-V428 PolarHBondContact NH2-O 2.72Å; F398-V428 HydrophobicContact CB-CG2 3.93Å; F398-V428 HydrophobicContact CD2-CG2 3.9Å; F398-V428 HydrophobicContact CG-CG2 4.35Å; L401-V428 HydrophobicContact CD1-CG1 4.32Å; L401-V428 HydrophobicContact CD1-CG2 4.13Å; V422-V428 CarbonylContact O-C 3.52Å; V422-V428 WeakPolarHBondContact O-CA 3.35Å; R423-V428 HydrophobicContact CB-CG2 4.5Å |
| 429 | L | 94.3 | Very high | 82.9 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.4 | 177.5 | -56.8 | 173.5 | 0 | 0 | 0 | 109.2 | S421 V422 W424 I475 | S421-L429 WeakPolarHBondContact CA-O 3.34Å; V422-L429 HydrophobicContact CG1-CB 4.13Å; V422-L429 PolarHBondContact N-O 3.26Å; V422-L429 PolarHBondContact O-N 3.1Å; W424-L429 HydrophobicContact CB-CD1 4.07Å; L429-I475 HydrophobicContact CB-CD1 4.21Å; L429-I475 HydrophobicContact CD1-CD1 3.42Å; L429-I475 VanDerWaalsContact CD1-CD1 3.42Å; L429-I475 HydrophobicContact CD1-CG1 3.91Å; L429-I475 HydrophobicContact CG-CD1 4.45Å |
| 430 | D | 93.3 | Very high | 82.7 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.5 | 174.7 | -67 | -38.2 | 0 | 0 | 0 | 109.6 | R410 V419 S421 | R410-D430 IonicContact CZ-OD1 3.65Å; R410-D430 IonicContact CZ-OD2 3.91Å; R410-D430 IonicContact NE-OD1 2.76Å; R410-D430 IonicContact NH2-OD1 2.9Å; R410-D430 PolarHBondContact NH2-OD1 2.91Å; R410-D430 IonicContact NH2-OD2 2.67Å; R410-D430 PolarHBondContact NH2-OD2 3.43Å; V419-D430 HydrophobicContact CB-CB 4.29Å; V419-D430 HydrophobicContact CG2-CB 4.25Å; S421-D430 PolarHBondContact OG-OD1 3.16Å |
| 431 | L | 91.3 | Very high | 82.6 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.8 | 177 | -56.1 | 178.5 | 0 | 0 | 0 | 109.8 | V420 V422 L433 L472 I475 L477 | V420-L431 HydrophobicContact CB-CB 4.31Å; V420-L431 PolarHBondContact N-O 3.25Å; V420-L431 WeakPolarHBondContact O-CB 3.37Å; V420-L431 PolarHBondContact O-N 3.34Å; V422-L431 HydrophobicContact CG1-CD1 3.92Å; V422-L431 HydrophobicContact CG1-CG 4.03Å; L431-L433 HydrophobicContact CB-CD2 3.98Å; L431-L433 HydrophobicContact CB-CG 4.36Å; L431-L472 HydrophobicContact CD1-CD1 3.82Å; L431-I475 HydrophobicContact CD2-CD1 3.76Å; L431-L477 HydrophobicContact CD1-CD2 4.12Å |
| 432 | Q | 84.2 | Confident | 82.3 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | trans | -94.1 | 109.9 | 165.8 | -172.5 | 174.3 | 1.3 | 0 | 0 | 108 | M417 | M417-Q432 HydrophobicContact SD-CG 4.47Š| ||
| 433 | L | 77.4 | Confident | 82.1 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | trans | -93.2 | -11.6 | -169.5 | -61.6 | 174 | 0 | 0 | 0 | 114.1 | V420 L431 Y441 L458 F461 L462 L472 | V420-L433 HydrophobicContact CB-CD1 4.14Å; V420-L433 HydrophobicContact CG2-CD1 3.43Å; V420-L433 VanDerWaalsContact CG2-CD1 3.43Å; V420-L433 HydrophobicContact CG2-CG 4.31Å; L431-L433 HydrophobicContact CB-CD2 3.98Å; L431-L433 HydrophobicContact CB-CG 4.36Å; L433-Y441 HydrophobicContact CB-CD1 4.14Å; L433-Y441 HydrophobicContact CB-CE1 4.29Å; L433-L458 HydrophobicContact CD1-CD1 3.43Å; L433-L458 VanDerWaalsContact CD1-CD1 3.43Å; L433-F461 HydrophobicContact CB-CE1 4.44Å; L433-F461 HydrophobicContact CD1-CD1 3.79Å; L433-F461 HydrophobicContact CD1-CE1 3.53Å; L433-F461 HydrophobicContact CD2-CE1 3.71Å; L433-F461 HydrophobicContact CD2-CZ 4.04Å; L433-F461 HydrophobicContact CG-CE1 4.09Å; L433-L462 HydrophobicContact CD1-CD2 4.21Å; L433-L472 HydrophobicContact CD2-CD1 3.98Å | ||
| 434 | N | 71.5 | Confident | 81.8 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | trans | -109.7 | 126.6 | 175.6 | -75.3 | -6.4 | 0 | 0 | 0 | 110.8 | G436 Y441 | N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 3.24Å; N434-Y441 VanDerWaalsContact CG-CE1 3.47Å; N434-Y441 PolarHBondContact ND2-OH 3.09Å; N434-Y441 VanDerWaalsContact ND2-OH 3.09Å; N434-Y441 WeakPolarHBondContact OD1-CD1 3.45Å; N434-Y441 WeakPolarHBondContact OD1-CE1 3.32Å; N434-Y441 VanDerWaalsContact OD1-CZ 3.3Å | ||
| 435 | E | 55.7 | Low | 81.5 | Confident | 185 Ų | 185 | 75.6 Ų | 75.6 | 86% | 0.864 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -77.2 | 79.2 | 164.5 | -66 | -173.8 | 170.6 | 0 | 0 | 109.1 | ||
| 436 | G | 55.8 | Low | 81.2 | Confident | 54 Ų | 54 | 74 Ų | 74 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 83.6 | -147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N434 S438 | N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 3.24Å; G436-S438 PolarHBondContact O-N 2.96Å; G436-S438 VanDerWaalsContact O-N 3.1Å |
| 437 | D | 54 | Low | 80.9 | Confident | 179 Ų | 179 | 70.6 Ų | 70.6 | 96% | 0.957 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.4 | 14.4 | -175 | -83 | -21.4 | 0 | 0 | 0 | 114.4 | E439 | D437-E439 PolarHBondContact O-N 3.2Š|
| 438 | S | 67.8 | Low | 80.2 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | trans | -76.8 | 125.5 | -177.7 | 122.5 | 0 | 0 | 0 | 0 | 110.5 | G436 K440 | G436-S438 PolarHBondContact O-N 2.96Å; G436-S438 VanDerWaalsContact O-N 3.1Å; S438-K440 PolarHBondContact O-N 2.85Å; S438-K440 WeakPolarHBondContact OG-CB 3.39Å; S438-K440 PolarHBondContact OG-N 2.82Å; S438-K440 VanDerWaalsContact OG-N 3.14Å; S438-K440 PolarHBondContact OG-O 2.84Å | ||
| 439 | E | 80.1 | Confident | 79.3 | Confident | 167 Ų | 167 | 78.7 Ų | 78.7 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -69.5 | 17 | 167.9 | -62.8 | -172.8 | 162 | 0 | 0 | 112.7 | D437 | D437-E439 PolarHBondContact O-N 3.2Š|
| 440 | K | 89.3 | Confident | 78.8 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 18% | 0.183 | 40% | 0.395 | C | S | . | . | trans | -116.7 | 127.5 | -177 | -54.2 | -171.2 | 176.1 | -165.2 | 0 | 110.9 | G79 D80 S438 F442 W454 | G79-K440 PolarHBondContact O-NZ 2.96Å; D80-K440 IonicContact OD2-NZ 2.69Å; D80-K440 PolarHBondContact OD2-NZ 2.81Å; S438-K440 PolarHBondContact O-N 2.85Å; S438-K440 WeakPolarHBondContact OG-CB 3.39Å; S438-K440 PolarHBondContact OG-N 2.82Å; S438-K440 VanDerWaalsContact OG-N 3.14Å; S438-K440 PolarHBondContact OG-O 2.84Å; K440-F442 HydrophobicContact CB-CD2 4.44Å; K440-F442 HydrophobicContact CB-CE2 4Å; K440-F442 HydrophobicContact CB-CZ 4.34Å; K440-F442 HydrophobicContact CD-CE2 4.36Å; K440-F442 HydrophobicContact CD-CZ 3.96Å; K440-W454 HydrophobicContact CB-CB 4.33Å; K440-W454 HydrophobicContact CB-CD2 4.11Å; K440-W454 HydrophobicContact CB-CE3 3.81Å; K440-W454 HydrophobicContact CB-CG 4.35Å; K440-W454 HydrophobicContact CB-CZ3 4.46Å; K440-W454 HydrophobicContact CD-CD2 3.68Å; K440-W454 HydrophobicContact CD-CE3 3.93Å; K440-W454 HydrophobicContact CD-CG 4.08Å; K440-W454 HydrophobicContact CD-CH2 4.34Å; K440-W454 HydrophobicContact CD-CZ2 4.11Å; K440-W454 HydrophobicContact CD-CZ3 4.26Å; K440-W454 HydrophobicContact CG-CD2 3.86Å; K440-W454 HydrophobicContact CG-CE3 3.55Å; K440-W454 HydrophobicContact CG-CG 4.48Å; K440-W454 HydrophobicContact CG-CH2 4.25Å; K440-W454 HydrophobicContact CG-CZ3 3.78Å | ||
| 441 | Y | 90.6 | Very high | 78.5 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 15% | 0.153 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 103.7 | 168.3 | -64.2 | -96.1 | 0 | 0 | 0 | 108.3 | L433 N434 W454 V455 T457 L458 F461 | L433-Y441 HydrophobicContact CB-CD1 4.14Å; L433-Y441 HydrophobicContact CB-CE1 4.29Å; N434-Y441 VanDerWaalsContact CG-CE1 3.47Å; N434-Y441 PolarHBondContact ND2-OH 3.09Å; N434-Y441 VanDerWaalsContact ND2-OH 3.09Å; N434-Y441 WeakPolarHBondContact OD1-CD1 3.45Å; N434-Y441 WeakPolarHBondContact OD1-CE1 3.32Å; N434-Y441 VanDerWaalsContact OD1-CZ 3.3Å; Y441-W454 CarbonylContact O-C 3.6Å; Y441-W454 VanDerWaalsContact O-CA 3.24Å; Y441-W454 WeakPolarHBondContact O-CA 3.3Å; Y441-V455 PolarHBondContact N-O 3Å; Y441-V455 PolarHBondContact O-N 3.15Å; Y441-T457 VanDerWaalsContact CD2-C 3.49Å; Y441-L458 HydrophobicContact CD1-CD1 4.2Å; Y441-L458 HydrophobicContact CE1-CB 3.79Å; Y441-L458 HydrophobicContact CE1-CD1 3.76Å; Y441-L458 HydrophobicContact CE1-CG 4.32Å; Y441-L458 HydrophobicContact CE2-CB 4.26Å; Y441-L458 VanDerWaalsContact CE2-N 3.29Å; Y441-F461 HydrophobicContact CD1-CB 4.29Å; Y441-F461 HydrophobicContact CD1-CG 4.33Å; Y441-F461 HydrophobicContact CG-CB 4.08Å; Y441-F461 HydrophobicContact CG-CG 4.41Å |
| 442 | F | 90.6 | Very high | 78.4 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.5 | -179 | -73 | -83.8 | 0 | 0 | 0 | 111.3 | K440 A452 E453 W454 F461 | K440-F442 HydrophobicContact CB-CD2 4.44Å; K440-F442 HydrophobicContact CB-CE2 4Å; K440-F442 HydrophobicContact CB-CZ 4.34Å; K440-F442 HydrophobicContact CD-CE2 4.36Å; K440-F442 HydrophobicContact CD-CZ 3.96Å; F442-A452 HydrophobicContact CD1-CB 4.3Å; F442-A452 HydrophobicContact CE1-CB 4.26Å; F442-E453 WeakPolarHBondContact CA-O 3.45Å; F442-W454 HydrophobicContact CD1-CB 3.83Å; F442-W454 HydrophobicContact CE1-CB 4.11Å; F442-W454 HydrophobicContact CE1-CG 4.35Å; F442-W454 HydrophobicContact CG-CB 4.27Å; F442-F461 VanDerWaalsContact O-CE2 3.3Å; F442-F461 WeakPolarHBondContact O-CE2 3.35Å |
| 443 | L | 90.7 | Very high | 78.8 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 142.2 | 173.6 | -60 | 179.8 | 0 | 0 | 0 | 109.7 | P20 T95 K445 E453 F461 I464 L470 | P20-L443 HydrophobicContact CG-CB 4.41Å; P20-L443 HydrophobicContact CG-CD1 4.01Å; T95-L443 HydrophobicContact CG2-CD1 4.21Å; L443-K445 PolarHBondContact O-N 3.45Å; L443-E453 HydrophobicContact CB-CB 4.32Å; L443-E453 HydrophobicContact CD1-CB 3.96Å; L443-E453 HydrophobicContact CG-CB 4.41Å; L443-E453 PolarHBondContact N-O 3.45Å; L443-F461 HydrophobicContact CD2-CD2 3.93Å; L443-F461 HydrophobicContact CD2-CE2 4.27Å; L443-I464 HydrophobicContact CD1-CD1 4.27Å; L443-I464 HydrophobicContact CD1-CG2 4.06Å; L443-I464 HydrophobicContact CD2-CB 4.16Å; L443-I464 HydrophobicContact CD2-CD1 4.19Å; L443-I464 HydrophobicContact CD2-CG2 3.7Å; L443-L470 HydrophobicContact CD2-CD1 4.48Å |
| 444 | P | 87.3 | Confident | 79.5 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 138.5 | 178.7 | -27.1 | 33.7 | 0 | 0 | 0 | 113 | L470 Q471 L472 | P444-L470 HydrophobicContact CG-CB 4.15Å; P444-L470 HydrophobicContact CG-CD1 4.46Å; P444-Q471 WeakPolarHBondContact CG-O 2.99Å; P444-L472 HydrophobicContact CG-CD2 3.43Å; P444-L472 VanDerWaalsContact CG-CD2 3.43Å |
| 445 | K | 84 | Confident | 80.5 | Confident | 99 Ų | 99 | 66 Ų | 66 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 141.9 | 168 | -61 | -178.3 | 178.8 | -161.9 | 0 | 109.8 | L443 E450 | L443-K445 PolarHBondContact O-N 3.45Å; K445-E450 VanDerWaalsContact CA-OE2 3.32Å; K445-E450 WeakPolarHBondContact CA-OE2 3.45Å; K445-E450 HydrophobicContact CB-CB 4.38Å; K445-E450 WeakPolarHBondContact CD-O 3.28Å; K445-E450 VanDerWaalsContact CE-O 3.3Å; K445-E450 WeakPolarHBondContact CE-O 3.46Å; K445-E450 HydrophobicContact CG-CB 4.34Å; K445-E450 PolarHBondContact NZ-O 3.31Å |
| 446 | Y | 77.9 | Confident | 82 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -108.8 | -14 | 176.1 | -60.4 | -66.4 | 0 | 0 | 0 | 113.4 | E450 L470 Q471 | Y446-E450 PolarHBondContact N-OE2 3.49Å; Y446-L470 HydrophobicContact CE2-CD2 4.49Å; Y446-L470 WeakPolarHBondContact OH-CA 3.49Å; Y446-Q471 HydrophobicContact CE1-CB 4.02Å; Y446-Q471 PolarHBondContact OH-N 2.99Å; Y446-Q471 PolarHBondContact OH-O 2.87Å |
| 447 | E | 77.1 | Confident | 83.5 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -134.4 | 143 | 172.5 | -57 | -179.1 | -169.7 | 0 | 0 | 109.1 | R163 T449 E450 | R163-E447 IonicContact CZ-OE1 3.07Å; R163-E447 IonicContact NH1-OE1 2.72Å; R163-E447 PolarHBondContact NH1-OE1 2.83Å; R163-E447 IonicContact NH2-OE1 2.66Å; R163-E447 PolarHBondContact NH2-OE1 2.89Å; E447-T449 PolarHBondContact O-N 2.73Å; E447-E450 HydrophobicContact CB-CG 4.13Å; E447-E450 WeakPolarHBondContact O-CB 3.5Å; E447-E450 PolarHBondContact O-N 2.93Å |
| 448 | D | 76.2 | Confident | 85.1 | Confident | 171 Ų | 171 | 52.7 Ų | 52.7 | 91% | 0.914 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.8 | 178.4 | -65.2 | -27.3 | 0 | 0 | 0 | 112.8 | E450 | D448-E450 VanDerWaalsContact C-N 3.33Š|
| 449 | T | 77.1 | Confident | 86.1 | Confident | 69 Ų | 69 | 54 Ų | 54 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.9 | 177.7 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | C56 E447 | C56-T449 HydrophobicContact CB-CG2 4.41Å; E447-T449 PolarHBondContact O-N 2.73Å |
| 450 | E | 83.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -71.1 | 136.5 | 179.3 | -71.6 | 175 | 179 | 0 | 0 | 111.6 | T22 K445 Y446 E447 D448 | T22-E450 HydrophobicContact CG2-CG 4.39Å; K445-E450 VanDerWaalsContact CA-OE2 3.32Å; K445-E450 WeakPolarHBondContact CA-OE2 3.45Å; K445-E450 HydrophobicContact CB-CB 4.38Å; K445-E450 WeakPolarHBondContact CD-O 3.28Å; K445-E450 VanDerWaalsContact CE-O 3.3Å; K445-E450 WeakPolarHBondContact CE-O 3.46Å; K445-E450 HydrophobicContact CG-CB 4.34Å; K445-E450 PolarHBondContact NZ-O 3.31Å; Y446-E450 PolarHBondContact N-OE2 3.49Å; E447-E450 HydrophobicContact CB-CG 4.13Å; E447-E450 WeakPolarHBondContact O-CB 3.5Å; E447-E450 PolarHBondContact O-N 2.93Å; D448-E450 VanDerWaalsContact C-N 3.33Å |
| 451 | S | 86.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | trans | -64.4 | 147.4 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | P58 E453 | P58-S451 WeakPolarHBondContact CG-OG 3.37Å; S451-E453 PolarHBondContact O-N 3.48Å | ||
| 452 | A | 89.6 | Confident | 86.5 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | trans | -76.5 | 112.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q76 F82 F442 | Q76-A452 PolarHBondContact NE2-O 3.46Å; F82-A452 WeakPolarHBondContact CZ-O 3.08Å; F442-A452 HydrophobicContact CD1-CB 4.3Å; F442-A452 HydrophobicContact CE1-CB 4.26Å | ||
| 453 | E | 92.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -102.9 | 146 | 172.4 | -70.1 | -172.1 | 113.6 | 0 | 0 | 109.6 | P20 W21 F82 T95 I96 F442 L443 S451 | P20-E453 WeakPolarHBondContact CA-OE2 3.49Å; W21-E453 VanDerWaalsContact CD1-OE2 3.26Å; W21-E453 PolarHBondContact N-OE2 2.82Å; F82-E453 HydrophobicContact CE2-CG 3.73Å; F82-E453 HydrophobicContact CZ-CG 3.8Å; T95-E453 WeakPolarHBondContact CA-OE1 3.46Å; T95-E453 WeakPolarHBondContact CB-OE1 3.24Å; T95-E453 HydrophobicContact CG2-CB 4.18Å; T95-E453 HydrophobicContact CG2-CG 4.48Å; I96-E453 PolarHBondContact N-OE1 2.84Å; F442-E453 WeakPolarHBondContact CA-O 3.45Å; L443-E453 HydrophobicContact CB-CB 4.32Å; L443-E453 HydrophobicContact CD1-CB 3.96Å; L443-E453 HydrophobicContact CG-CB 4.41Å; L443-E453 PolarHBondContact N-O 3.45Å; S451-E453 PolarHBondContact O-N 3.48Å | ||
| 454 | W | 92.7 | Very high | 86.4 | Confident | 17 Ų | 17 | 43 Ų | 43 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164.8 | -178.8 | 62.2 | -85.3 | 0 | 0 | 0 | 112.2 | G79 Y81 T94 K440 Y441 F442 | G79-W454 WeakPolarHBondContact O-CZ2 3.48Å; Y81-W454 HydrophobicContact CD1-CZ2 4.08Å; Y81-W454 AromaticContact CE1-CH2 3.86Å; Y81-W454 HydrophobicContact CE1-CH2 3.86Å; Y81-W454 AromaticContact CE1-CZ2 3.43Å; Y81-W454 HydrophobicContact CE1-CZ2 3.43Å; Y81-W454 VanDerWaalsContact CE1-CZ2 3.43Å; Y81-W454 AromaticContact CZ-CZ2 3.96Å; T94-W454 WeakPolarHBondContact CB-O 3.46Å; T94-W454 HydrophobicContact CG2-CD2 3.82Å; T94-W454 VanDerWaalsContact CG2-CE2 3.47Å; T94-W454 HydrophobicContact CG2-CE3 3.97Å; T94-W454 HydrophobicContact CG2-CH2 3.52Å; T94-W454 HydrophobicContact CG2-CZ2 3.35Å; T94-W454 HydrophobicContact CG2-CZ3 3.82Å; T94-W454 PolarHBondContact O-N 2.93Å; T94-W454 PolarHBondContact OG1-O 3.22Å; K440-W454 HydrophobicContact CB-CB 4.33Å; K440-W454 HydrophobicContact CB-CD2 4.11Å; K440-W454 HydrophobicContact CB-CE3 3.81Å; K440-W454 HydrophobicContact CB-CG 4.35Å; K440-W454 HydrophobicContact CB-CZ3 4.46Å; K440-W454 HydrophobicContact CD-CD2 3.68Å; K440-W454 HydrophobicContact CD-CE3 3.93Å; K440-W454 HydrophobicContact CD-CG 4.08Å; K440-W454 HydrophobicContact CD-CH2 4.34Å; K440-W454 HydrophobicContact CD-CZ2 4.11Å; K440-W454 HydrophobicContact CD-CZ3 4.26Å; K440-W454 HydrophobicContact CG-CD2 3.86Å; K440-W454 HydrophobicContact CG-CE3 3.55Å; K440-W454 HydrophobicContact CG-CG 4.48Å; K440-W454 HydrophobicContact CG-CH2 4.25Å; K440-W454 HydrophobicContact CG-CZ3 3.78Å; Y441-W454 CarbonylContact O-C 3.6Å; Y441-W454 VanDerWaalsContact O-CA 3.24Å; Y441-W454 WeakPolarHBondContact O-CA 3.3Å; F442-W454 HydrophobicContact CD1-CB 3.83Å; F442-W454 HydrophobicContact CE1-CB 4.11Å; F442-W454 HydrophobicContact CE1-CG 4.35Å; F442-W454 HydrophobicContact CG-CB 4.27Å |
| 455 | V | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.5 | 174.1 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | Y441 E460 F461 I464 | Y441-V455 PolarHBondContact N-O 3Å; Y441-V455 PolarHBondContact O-N 3.15Å; V455-E460 HydrophobicContact CB-CB 4.19Å; V455-E460 HydrophobicContact CB-CG 3.98Å; V455-E460 HydrophobicContact CG1-CG 3.88Å; V455-E460 HydrophobicContact CG2-CB 4.18Å; V455-E460 HydrophobicContact CG2-CG 4.3Å; V455-F461 HydrophobicContact CG2-CB 3.69Å; V455-I464 HydrophobicContact CG1-CD1 3.52Å |
| 456 | S | 87.9 | Confident | 86.7 | Confident | 66 Ų | 66 | 38.1 Ų | 38.1 | 46% | 0.462 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -88.1 | -11.6 | -170.2 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 457 | T | 87.5 | Confident | 87 | Confident | 61 Ų | 61 | 36.1 Ų | 36.1 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | trans | -132.3 | 147.9 | -177.4 | 71 | 0 | 0 | 0 | 0 | 111.6 | Y441 Q459 E460 F461 | Y441-T457 VanDerWaalsContact CD2-C 3.49Å; T457-Q459 VanDerWaalsContact C-N 3.25Å; T457-Q459 PolarHBondContact O-N 3.14Å; T457-E460 PolarHBondContact O-N 3.45Å; T457-E460 WeakPolarHBondContact OG1-CB 3.49Å; T457-E460 PolarHBondContact OG1-N 3.09Å; T457-E460 VanDerWaalsContact OG1-N 3.14Å; T457-F461 PolarHBondContact O-N 2.86Å | ||
| 458 | L | 87.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 173.6 | 176.9 | 57 | 0 | 0 | 0 | 111 | I409 V420 L433 Y441 E460 F461 L462 | I409-L458 HydrophobicContact CD1-CD2 3.98Å; I409-L458 HydrophobicContact CD1-CG 4.47Å; I409-L458 HydrophobicContact CG1-CD2 4.45Å; V420-L458 HydrophobicContact CG2-CD1 4.17Å; L433-L458 HydrophobicContact CD1-CD1 3.43Å; L433-L458 VanDerWaalsContact CD1-CD1 3.43Å; Y441-L458 HydrophobicContact CD1-CD1 4.2Å; Y441-L458 HydrophobicContact CE1-CB 3.79Å; Y441-L458 HydrophobicContact CE1-CD1 3.76Å; Y441-L458 HydrophobicContact CE1-CG 4.32Å; Y441-L458 HydrophobicContact CE2-CB 4.26Å; Y441-L458 VanDerWaalsContact CE2-N 3.29Å; L458-E460 PolarHBondContact O-N 2.9Å; L458-F461 HydrophobicContact CD1-CD1 4.43Å; L458-F461 WeakPolarHBondContact O-CB 2.86Å; L458-F461 PolarHBondContact O-N 2.67Å; L458-L462 HydrophobicContact CD1-CD1 3.87Å; L458-L462 HydrophobicContact CD1-CD2 4.41Å; L458-L462 HydrophobicContact CD1-CG 3.89Å; L458-L462 HydrophobicContact CG-CD1 3.86Å; L458-L462 HydrophobicContact CG-CG 4.31Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 2.88Å |
| 459 | Q | 88 | Confident | 87.6 | Confident | 66 Ų | 66 | 29.6 Ų | 29.6 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54.1 | -53.3 | 175.8 | -165.9 | -173.3 | -42.2 | 0 | 0 | 112.2 | I382 E384 T457 F461 L462 E463 | I382-Q459 WeakPolarHBondContact O-CG 3.16Å; I382-Q459 PolarHBondContact O-NE2 2.98Å; E384-Q459 HydrophobicContact CB-CB 4.18Å; E384-Q459 HydrophobicContact CB-CG 4.34Å; T457-Q459 VanDerWaalsContact C-N 3.25Å; T457-Q459 PolarHBondContact O-N 3.14Å; Q459-F461 VanDerWaalsContact C-N 3.29Å; Q459-F461 PolarHBondContact O-N 2.9Å; Q459-L462 PolarHBondContact O-N 3.2Å; Q459-E463 PolarHBondContact NE2-OE1 2.74Å; Q459-E463 WeakPolarHBondContact O-CG 3.23Å; Q459-E463 PolarHBondContact O-N 3.14Å |
| 460 | E | 87.9 | Confident | 88 | Confident | 44 Ų | 44 | 26.3 Ų | 26.3 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | -178.7 | -170.4 | 174.2 | -161.6 | 0 | 0 | 110.4 | Q18 V455 T457 L458 L462 E463 I464 | Q18-E460 PolarHBondContact NE2-OE1 3.36Å; V455-E460 HydrophobicContact CB-CB 4.19Å; V455-E460 HydrophobicContact CB-CG 3.98Å; V455-E460 HydrophobicContact CG1-CG 3.88Å; V455-E460 HydrophobicContact CG2-CB 4.18Å; V455-E460 HydrophobicContact CG2-CG 4.3Å; T457-E460 PolarHBondContact O-N 3.45Å; T457-E460 WeakPolarHBondContact OG1-CB 3.49Å; T457-E460 PolarHBondContact OG1-N 3.09Å; T457-E460 VanDerWaalsContact OG1-N 3.14Å; L458-E460 PolarHBondContact O-N 2.9Å; E460-L462 PolarHBondContact O-N 2.7Å; E460-E463 PolarHBondContact O-N 3.03Å; E460-I464 HydrophobicContact CG-CD1 4.05Å; E460-I464 WeakPolarHBondContact O-CB 3.44Å; E460-I464 WeakPolarHBondContact O-CG1 3.46Å; E460-I464 PolarHBondContact O-N 2.81Å |
| 461 | F | 90.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.5 | -50.9 | 175.2 | 175.2 | -93.8 | 0 | 0 | 0 | 111.9 | L433 Y441 F442 L443 V455 T457 L458 Q459 E463 I464 V465 L472 | L433-F461 HydrophobicContact CB-CE1 4.44Å; L433-F461 HydrophobicContact CD1-CD1 3.79Å; L433-F461 HydrophobicContact CD1-CE1 3.53Å; L433-F461 HydrophobicContact CD2-CE1 3.71Å; L433-F461 HydrophobicContact CD2-CZ 4.04Å; L433-F461 HydrophobicContact CG-CE1 4.09Å; Y441-F461 HydrophobicContact CD1-CB 4.29Å; Y441-F461 HydrophobicContact CD1-CG 4.33Å; Y441-F461 HydrophobicContact CG-CB 4.08Å; Y441-F461 HydrophobicContact CG-CG 4.41Å; F442-F461 VanDerWaalsContact O-CE2 3.3Å; F442-F461 WeakPolarHBondContact O-CE2 3.35Å; L443-F461 HydrophobicContact CD2-CD2 3.93Å; L443-F461 HydrophobicContact CD2-CE2 4.27Å; V455-F461 HydrophobicContact CG2-CB 3.69Å; T457-F461 PolarHBondContact O-N 2.86Å; L458-F461 HydrophobicContact CD1-CD1 4.43Å; L458-F461 WeakPolarHBondContact O-CB 2.86Å; L458-F461 PolarHBondContact O-N 2.67Å; Q459-F461 VanDerWaalsContact C-N 3.29Å; Q459-F461 PolarHBondContact O-N 2.9Å; F461-E463 PolarHBondContact O-N 2.9Å; F461-I464 PolarHBondContact O-N 2.92Å; F461-V465 HydrophobicContact CD1-CG2 4.08Å; F461-V465 HydrophobicContact CD2-CG2 4.25Å; F461-V465 HydrophobicContact CE1-CG2 3.66Å; F461-V465 HydrophobicContact CE2-CG2 3.85Å; F461-V465 HydrophobicContact CG-CG2 4.37Å; F461-V465 HydrophobicContact CZ-CG2 3.56Å; F461-V465 WeakPolarHBondContact O-CB 3.37Å; F461-V465 VanDerWaalsContact O-CG2 3.29Å; F461-V465 WeakPolarHBondContact O-CG2 3.22Å; F461-V465 PolarHBondContact O-N 3.45Å; F461-L472 HydrophobicContact CE1-CD1 4.19Å; F461-L472 HydrophobicContact CE1-CD2 4.43Å; F461-L472 HydrophobicContact CZ-CD1 4.3Å; F461-L472 HydrophobicContact CZ-CD2 3.77Å |
| 462 | L | 91 | Very high | 88.2 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | -179.6 | -67.8 | 172.7 | 0 | 0 | 0 | 111.9 | I382 F407 I409 V420 L433 L458 Q459 E460 I464 V465 V466 L477 | I382-L462 HydrophobicContact CG2-CB 4.45Å; F407-L462 HydrophobicContact CE2-CD1 4.16Å; F407-L462 HydrophobicContact CE2-CD2 4.17Å; I409-L462 HydrophobicContact CD1-CD1 3.69Å; I409-L462 HydrophobicContact CG1-CD1 4.14Å; V420-L462 HydrophobicContact CG1-CD2 4.31Å; V420-L462 HydrophobicContact CG2-CD1 4.45Å; V420-L462 HydrophobicContact CG2-CD2 4.26Å; L433-L462 HydrophobicContact CD1-CD2 4.21Å; L458-L462 HydrophobicContact CD1-CD1 3.87Å; L458-L462 HydrophobicContact CD1-CD2 4.41Å; L458-L462 HydrophobicContact CD1-CG 3.89Å; L458-L462 HydrophobicContact CG-CD1 3.86Å; L458-L462 HydrophobicContact CG-CG 4.31Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 2.88Å; Q459-L462 PolarHBondContact O-N 3.2Å; E460-L462 PolarHBondContact O-N 2.7Å; L462-I464 VanDerWaalsContact C-N 3.31Å; L462-I464 PolarHBondContact O-N 2.85Å; L462-V465 PolarHBondContact O-N 3.48Å; L462-V466 WeakPolarHBondContact O-CB 2.96Å; L462-V466 VanDerWaalsContact O-CG2 3.26Å; L462-V466 WeakPolarHBondContact O-CG2 3.5Å; L462-V466 PolarHBondContact O-N 3.14Å; L462-L477 HydrophobicContact CD2-CD1 3.45Å; L462-L477 VanDerWaalsContact CD2-CD1 3.45Å |
| 463 | E | 88.8 | Confident | 87.9 | Confident | 60 Ų | 60 | 27.9 Ų | 27.9 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.9 | -45 | 173.3 | -76.1 | -177.5 | -172.5 | 0 | 0 | 111.7 | I382 Q459 E460 F461 A467 | I382-E463 HydrophobicContact CB-CG 3.78Å; I382-E463 HydrophobicContact CD1-CG 4.36Å; I382-E463 HydrophobicContact CG1-CG 4.41Å; Q459-E463 PolarHBondContact NE2-OE1 2.74Å; Q459-E463 WeakPolarHBondContact O-CG 3.23Å; Q459-E463 PolarHBondContact O-N 3.14Å; E460-E463 PolarHBondContact O-N 3.03Å; F461-E463 PolarHBondContact O-N 2.9Å; E463-A467 WeakPolarHBondContact O-CB 3.47Å; E463-A467 PolarHBondContact O-N 3.02Å |
| 464 | I | 89.3 | Confident | 87.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -48.3 | 179.6 | -67 | 174.6 | 0 | 0 | 0 | 111.2 | Q18 P20 L443 V455 E460 F461 L462 V466 A467 S468 L470 | Q18-I464 HydrophobicContact CB-CD1 3.7Å; Q18-I464 HydrophobicContact CB-CG1 4.34Å; Q18-I464 WeakPolarHBondContact O-CG1 3.41Å; P20-I464 HydrophobicContact CG-CG2 4.48Å; L443-I464 HydrophobicContact CD1-CD1 4.27Å; L443-I464 HydrophobicContact CD1-CG2 4.06Å; L443-I464 HydrophobicContact CD2-CB 4.16Å; L443-I464 HydrophobicContact CD2-CD1 4.19Å; L443-I464 HydrophobicContact CD2-CG2 3.7Å; V455-I464 HydrophobicContact CG1-CD1 3.52Å; E460-I464 HydrophobicContact CG-CD1 4.05Å; E460-I464 WeakPolarHBondContact O-CB 3.44Å; E460-I464 WeakPolarHBondContact O-CG1 3.46Å; E460-I464 PolarHBondContact O-N 2.81Å; F461-I464 PolarHBondContact O-N 2.92Å; L462-I464 VanDerWaalsContact C-N 3.31Å; L462-I464 PolarHBondContact O-N 2.85Å; I464-V466 VanDerWaalsContact C-N 3.34Å; I464-V466 PolarHBondContact O-N 3.4Å; I464-A467 PolarHBondContact O-N 2.97Å; I464-S468 WeakPolarHBondContact O-CA 3.46Å; I464-S468 WeakPolarHBondContact O-CB 3.32Å; I464-S468 PolarHBondContact O-N 3.36Å; I464-S468 PolarHBondContact O-OG 3.13Å; I464-L470 HydrophobicContact CG2-CD1 3.98Å |
| 465 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | -179.3 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | F461 L462 N469 L470 L472 L477 | F461-V465 HydrophobicContact CD1-CG2 4.08Å; F461-V465 HydrophobicContact CD2-CG2 4.25Å; F461-V465 HydrophobicContact CE1-CG2 3.66Å; F461-V465 HydrophobicContact CE2-CG2 3.85Å; F461-V465 HydrophobicContact CG-CG2 4.37Å; F461-V465 HydrophobicContact CZ-CG2 3.56Å; F461-V465 WeakPolarHBondContact O-CB 3.37Å; F461-V465 VanDerWaalsContact O-CG2 3.29Å; F461-V465 WeakPolarHBondContact O-CG2 3.22Å; F461-V465 PolarHBondContact O-N 3.45Å; L462-V465 PolarHBondContact O-N 3.48Å; V465-N469 CarbonylContact O-C 3.49Å; V465-N469 VanDerWaalsContact O-CA 3.28Å; V465-N469 WeakPolarHBondContact O-CA 3.24Å; V465-N469 PolarHBondContact O-N 3.2Å; V465-L470 HydrophobicContact CB-CB 4.45Å; V465-L470 HydrophobicContact CG1-CB 4.28Å; V465-L470 HydrophobicContact CG2-CB 4.32Å; V465-L470 HydrophobicContact CG2-CD1 4.22Å; V465-L470 PolarHBondContact O-N 2.96Å; V465-L472 HydrophobicContact CG1-CD1 4.09Å; V465-L472 HydrophobicContact CG1-CD2 4.25Å; V465-L472 HydrophobicContact CG1-CG 4.06Å; V465-L472 HydrophobicContact CG2-CD2 4.05Å; V465-L477 HydrophobicContact CG1-CB 4.1Å; V465-L477 HydrophobicContact CG1-CD1 4.05Å; V465-L477 HydrophobicContact CG1-CG 4.11Å |
| 466 | V | 88.3 | Confident | 87.1 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -44.6 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | I382 F407 L462 I464 S468 N469 L477 K478 | I382-V466 HydrophobicContact CD1-CB 4Å; I382-V466 HydrophobicContact CD1-CG1 4.23Å; I382-V466 HydrophobicContact CD1-CG2 4.03Å; F407-V466 HydrophobicContact CE1-CG2 3.56Å; F407-V466 HydrophobicContact CZ-CG2 3.74Å; L462-V466 WeakPolarHBondContact O-CB 2.96Å; L462-V466 VanDerWaalsContact O-CG2 3.26Å; L462-V466 WeakPolarHBondContact O-CG2 3.5Å; L462-V466 PolarHBondContact O-N 3.14Å; I464-V466 VanDerWaalsContact C-N 3.34Å; I464-V466 PolarHBondContact O-N 3.4Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 2.97Å; V466-N469 PolarHBondContact O-N 3.41Å; V466-N469 PolarHBondContact O-OD1 3.26Å; V466-L477 HydrophobicContact CG2-CB 3.8Å; V466-K478 VanDerWaalsContact CG1-O 3.27Å; V466-K478 WeakPolarHBondContact CG1-O 3.3Å |
| 467 | A | 83.6 | Confident | 87.2 | Confident | 42 Ų | 42 | 27.5 Ų | 27.5 | 35% | 0.347 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69 | -33.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E463 I464 | E463-A467 WeakPolarHBondContact O-CB 3.47Å; E463-A467 PolarHBondContact O-N 3.02Å; I464-A467 PolarHBondContact O-N 2.97Å |
| 468 | S | 83.9 | Confident | 87.1 | Confident | 17 Ų | 17 | 27 Ų | 27 | 12% | 0.119 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -98.2 | 0.5 | -178.1 | -43.3 | 0 | 0 | 0 | 0 | 112.9 | C19 I464 V466 L470 | C19-S468 WeakPolarHBondContact CB-OG 3.35Å; I464-S468 WeakPolarHBondContact O-CA 3.46Å; I464-S468 WeakPolarHBondContact O-CB 3.32Å; I464-S468 PolarHBondContact O-N 3.36Å; I464-S468 PolarHBondContact O-OG 3.13Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 2.97Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.36Å |
| 469 | N | 81.5 | Confident | 87 | Confident | 66 Ų | 66 | 30.1 Ų | 30.1 | 35% | 0.353 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 52.6 | -176.6 | -53.7 | -67.4 | 0 | 0 | 0 | 112.1 | Q231 V465 V466 | Q231-N469 HydrophobicContact CG-CB 4Å; V465-N469 CarbonylContact O-C 3.49Å; V465-N469 VanDerWaalsContact O-CA 3.28Å; V465-N469 WeakPolarHBondContact O-CA 3.24Å; V465-N469 PolarHBondContact O-N 3.2Å; V466-N469 PolarHBondContact O-N 3.41Å; V466-N469 PolarHBondContact O-OD1 3.26Å |
| 470 | L | 86.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -78.9 | 132.5 | 178.6 | -51 | -178.3 | 0 | 0 | 0 | 109.5 | P20 K23 L443 P444 Y446 I464 V465 S468 | P20-L470 HydrophobicContact CG-CD1 3.44Å; P20-L470 VanDerWaalsContact CG-CD1 3.44Å; P20-L470 HydrophobicContact CG-CD2 3.79Å; P20-L470 HydrophobicContact CG-CG 4.25Å; K23-L470 HydrophobicContact CG-CD2 4.13Å; L443-L470 HydrophobicContact CD2-CD1 4.48Å; P444-L470 HydrophobicContact CG-CB 4.15Å; P444-L470 HydrophobicContact CG-CD1 4.46Å; Y446-L470 HydrophobicContact CE2-CD2 4.49Å; Y446-L470 WeakPolarHBondContact OH-CA 3.49Å; I464-L470 HydrophobicContact CG2-CD1 3.98Å; V465-L470 HydrophobicContact CB-CB 4.45Å; V465-L470 HydrophobicContact CG1-CB 4.28Å; V465-L470 HydrophobicContact CG2-CB 4.32Å; V465-L470 HydrophobicContact CG2-CD1 4.22Å; V465-L470 PolarHBondContact O-N 2.96Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.36Å | ||
| 471 | Q | 86.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.4 | 168.1 | -64.4 | 174.8 | -21.8 | 0 | 0 | 109.7 | W185 P444 Y446 I475 | W185-Q471 HydrophobicContact CH2-CG 4.46Å; P444-Q471 WeakPolarHBondContact CG-O 2.99Å; Y446-Q471 HydrophobicContact CE1-CB 4.02Å; Y446-Q471 PolarHBondContact OH-N 2.99Å; Y446-Q471 PolarHBondContact OH-O 2.87Å; Q471-I475 WeakPolarHBondContact CA-O 3.41Å |
| 472 | L | 87.9 | Confident | 87.1 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 87.7 | 169.2 | -58.2 | -175.5 | 0 | 0 | 0 | 107.4 | L431 L433 P444 F461 V465 N474 I475 L477 | L431-L472 HydrophobicContact CD1-CD1 3.82Å; L433-L472 HydrophobicContact CD2-CD1 3.98Å; P444-L472 HydrophobicContact CG-CD2 3.43Å; P444-L472 VanDerWaalsContact CG-CD2 3.43Å; F461-L472 HydrophobicContact CE1-CD1 4.19Å; F461-L472 HydrophobicContact CE1-CD2 4.43Å; F461-L472 HydrophobicContact CZ-CD1 4.3Å; F461-L472 HydrophobicContact CZ-CD2 3.77Å; V465-L472 HydrophobicContact CG1-CD1 4.09Å; V465-L472 HydrophobicContact CG1-CD2 4.25Å; V465-L472 HydrophobicContact CG1-CG 4.06Å; V465-L472 HydrophobicContact CG2-CD2 4.05Å; L472-N474 PolarHBondContact O-N 3.09Å; L472-N474 VanDerWaalsContact O-N 3.15Å; L472-I475 PolarHBondContact N-O 3.47Å; L472-I475 PolarHBondContact O-N 3.13Å; L472-L477 HydrophobicContact CD1-CD1 3.82Å; L472-L477 HydrophobicContact CD1-CG 4.01Å |
| 473 | G | 82.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 34.9 Ų | 34.9 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -113.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 474 | N | 82.9 | Confident | 85.7 | Confident | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 14.1 | -178.8 | 65.5 | -25.4 | 0 | 0 | 0 | 114 | W185 A186 W424 L472 | W185-N474 WeakPolarHBondContact CZ2-O 3.33Å; W185-N474 PolarHBondContact NE1-O 3.26Å; A186-N474 HydrophobicContact CB-CB 4.05Å; W424-N474 PolarHBondContact NE1-O 3.17Å; W424-N474 VanDerWaalsContact NE1-O 3.15Å; L472-N474 PolarHBondContact O-N 3.09Å; L472-N474 VanDerWaalsContact O-N 3.15Å |
| 475 | I | 88.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.7 | -175.1 | -59.7 | 153.5 | 0 | 0 | 0 | 110.6 | V422 W424 L429 L431 Q471 L472 L477 | V422-I475 HydrophobicContact CG1-CD1 4.32Å; V422-I475 HydrophobicContact CG1-CG2 3.89Å; V422-I475 HydrophobicContact CG2-CG2 3.85Å; W424-I475 HydrophobicContact CB-CG1 4.38Å; W424-I475 HydrophobicContact CB-CG2 4.49Å; W424-I475 HydrophobicContact CD2-CB 4.38Å; W424-I475 HydrophobicContact CD2-CG1 4.35Å; W424-I475 HydrophobicContact CD2-CG2 4Å; W424-I475 HydrophobicContact CE3-CG2 3.9Å; W424-I475 HydrophobicContact CG-CG1 4.02Å; W424-I475 HydrophobicContact CG-CG2 4.27Å; W424-I475 HydrophobicContact CZ3-CG2 4.47Å; L429-I475 HydrophobicContact CB-CD1 4.21Å; L429-I475 HydrophobicContact CD1-CD1 3.42Å; L429-I475 VanDerWaalsContact CD1-CD1 3.42Å; L429-I475 HydrophobicContact CD1-CG1 3.91Å; L429-I475 HydrophobicContact CG-CD1 4.45Å; L431-I475 HydrophobicContact CD2-CD1 3.76Å; Q471-I475 WeakPolarHBondContact CA-O 3.41Å; L472-I475 PolarHBondContact N-O 3.47Å; L472-I475 PolarHBondContact O-N 3.13Å; I475-L477 HydrophobicContact CG2-CD2 4.47Å |
| 476 | C | 87.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.2 | 168.7 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | Q238 G405 W424 | Q238-C476 PolarHBondContact OE1-SG 2.9Å; G405-C476 WeakPolarHBondContact CA-O 3.3Å; W424-C476 HydrophobicContact CH2-CB 3.81Å; W424-C476 HydrophobicContact CZ3-CB 4.02Å; W424-C476 VanDerWaalsContact CZ3-O 3.26Å; W424-C476 WeakPolarHBondContact CZ3-O 3.48Å |
| 477 | L | 89.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -80.3 | 134.1 | 170.7 | -54.2 | -173.3 | 0 | 0 | 0 | 109.7 | F407 V420 V422 L431 L462 V465 V466 L472 I475 | F407-L477 HydrophobicContact CB-CD2 4.03Å; F407-L477 HydrophobicContact CD1-CB 3.81Å; F407-L477 HydrophobicContact CD1-CD2 4.22Å; F407-L477 HydrophobicContact CD1-CG 4.42Å; F407-L477 HydrophobicContact CE1-CB 3.91Å; F407-L477 HydrophobicContact CG-CB 4.48Å; F407-L477 HydrophobicContact CG-CD1 4.5Å; F407-L477 HydrophobicContact CG-CD2 4.18Å; V420-L477 HydrophobicContact CG1-CD1 4.33Å; V422-L477 HydrophobicContact CB-CD2 3.86Å; V422-L477 HydrophobicContact CG1-CD2 4.36Å; V422-L477 HydrophobicContact CG2-CD2 3.68Å; L431-L477 HydrophobicContact CD1-CD2 4.12Å; L462-L477 HydrophobicContact CD2-CD1 3.45Å; L462-L477 VanDerWaalsContact CD2-CD1 3.45Å; V465-L477 HydrophobicContact CG1-CB 4.1Å; V465-L477 HydrophobicContact CG1-CD1 4.05Å; V465-L477 HydrophobicContact CG1-CG 4.11Å; V466-L477 HydrophobicContact CG2-CB 3.8Å; L472-L477 HydrophobicContact CD1-CD1 3.82Å; L472-L477 HydrophobicContact CD1-CG 4.01Å; I475-L477 HydrophobicContact CG2-CD2 4.47Å | ||
| 478 | K | 85.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | trans | -126.8 | -50.3 | -176.4 | -63.9 | -178.3 | -173.8 | 167.7 | 0 | 113.2 | Q231 G405 V466 | Q231-K478 WeakPolarHBondContact O-CE 3.22Å; Q231-K478 PolarHBondContact O-NZ 2.95Å; G405-K478 PolarHBondContact O-N 2.83Å; V466-K478 VanDerWaalsContact CG1-O 3.27Å; V466-K478 WeakPolarHBondContact CG1-O 3.3Å | ||
| 479 | R | 86.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 121.1 | -171.5 | -175.7 | 175 | 62.1 | 179.7 | 2.8 | 110.9 | H209 T402 G405 D406 F407 I481 | H209-R479 PolarHBondContact CE1-NH1 3.12Å; H209-R479 VanDerWaalsContact CE1-NH1 3.28Å; H209-R479 PolarHBondContact NE2-NH1 3.17Å; T402-R479 PolarHBondContact OG1-NH2 3.41Å; G405-R479 PolarHBondContact O-N 2.95Å; G405-R479 VanDerWaalsContact O-N 3.13Å; D406-R479 CarbonylContact C-O 3.57Å; D406-R479 WeakPolarHBondContact CA-O 3.44Å; D406-R479 IonicContact OD1-CZ 2.79Å; D406-R479 IonicContact OD1-NE 2.58Å; D406-R479 PolarHBondContact OD1-NE 3.43Å; D406-R479 IonicContact OD1-NH2 2.64Å; D406-R479 PolarHBondContact OD1-NH2 2.84Å; D406-R479 IonicContact OD2-CZ 4Å; D406-R479 IonicContact OD2-NH2 2.81Å; D406-R479 PolarHBondContact OD2-NH2 3.38Å; F407-R479 VanDerWaalsContact CD1-O 3.27Å; F407-R479 WeakPolarHBondContact CD1-O 3.43Å; F407-R479 VanDerWaalsContact CE1-C 3.4Å; F407-R479 PolarHBondContact N-O 3.05Å; R479-I481 HydrophobicContact CG-CD1 4.11Å |
| 480 | A | 90.3 | Very high | 85.5 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I382 Y387 F407 | I382-A480 HydrophobicContact CG2-CB 4.36Å; Y387-A480 VanDerWaalsContact CD1-C 3.46Å; Y387-A480 HydrophobicContact CD1-CB 3.28Å; Y387-A480 HydrophobicContact CD2-CB 3.89Å; Y387-A480 HydrophobicContact CE1-CB 3.47Å; Y387-A480 VanDerWaalsContact CE1-CB 3.47Å; Y387-A480 WeakPolarHBondContact CE1-O 3.14Å; Y387-A480 HydrophobicContact CE2-CB 4.09Å; Y387-A480 HydrophobicContact CG-CB 3.49Å; Y387-A480 VanDerWaalsContact CG-CB 3.49Å; F407-A480 HydrophobicContact CD2-CB 4.46Å; F407-A480 HydrophobicContact CE1-CB 4.05Å; F407-A480 HydrophobicContact CE2-CB 3.72Å; F407-A480 HydrophobicContact CZ-CB 3.5Å; F407-A480 CarbonylContact O-C 3.54Å; F407-A480 WeakPolarHBondContact O-CA 3.25Å |
| 481 | I | 91.6 | Very high | 85.4 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 118.5 | 179.8 | -57.5 | -55.6 | 0 | 0 | 0 | 109.1 | H389 L401 D406 F407 R479 | H389-I481 PolarHBondContact NE2-O 3.43Å; L401-I481 HydrophobicContact CD2-CB 4.12Å; L401-I481 HydrophobicContact CD2-CG1 3.76Å; D406-I481 HydrophobicContact CB-CD1 4.22Å; D406-I481 HydrophobicContact CB-CG1 3.89Å; F407-I481 PolarHBondContact O-N 3Å; R479-I481 HydrophobicContact CG-CD1 4.11Å |
| 482 | G | 87.2 | Confident | 85.3 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L386 H389 E484 | L386-G482 WeakPolarHBondContact O-CA 3.4Å; H389-G482 VanDerWaalsContact CE1-C 3.42Å; H389-G482 PolarHBondContact CE1-O 2.69Å; H389-G482 PolarHBondContact NE2-O 3.1Å; G482-E484 PolarHBondContact O-N 3.05Å |
| 483 | R | 81.1 | Confident | 85.1 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -66 | 128.8 | 164.8 | -64.2 | -172.8 | -170.3 | -179.2 | 7.6 | 108.5 | L386 D388 H389 | L386-R483 PolarHBondContact O-N 3.02Å; L386-R483 VanDerWaalsContact O-N 3.15Å; D388-R483 PolarHBondContact O-NE 3.3Å; D388-R483 PolarHBondContact O-NH2 3.08Å; D388-R483 IonicContact OD1-NH2 3.64Å; H389-R483 VanDerWaalsContact CA-NE 3.34Å |
| 484 | E | 67.9 | Low | 85.4 | Confident | 251 Ų | 251 | 61.4 Ų | 61.4 | 100% | 1.173 | 29% | 0.294 | S | S | * | . | trans | -60.7 | 0 | 173 | -68.7 | -172.7 | 162.3 | 0 | 0 | 113.1 | G482 | G482-E484 PolarHBondContact O-N 3.05Š|
Retrieved 484 of 484 residues in 208 ms
(Link to these results)