| 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 | 31.3 | Very low | 25.8 | Very low | 238 Ų | 238 | 134.5 Ų | 134.5 | 100% | 1.172 | 79% | 0.785 | S | S | * | * | 0 | 81.9 | 0 | -100.3 | 175.5 | 167.4 | 0 | 0 | 102.9 | |||||
| 2 | D | 22 | Very low | 26.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -114.4 | 116.6 | -173 | -63.5 | -65.9 | 0 | 0 | 0 | 105.3 | I4 | D2-I4 PolarHBondContact O-N 3.15Š| ||
| 3 | D | 23.3 | Very low | 27.7 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 112.2 | 174.3 | -76.6 | -41.4 | 0 | 0 | 0 | 108.5 | A5 | D3-A5 PolarHBondContact O-N 3.39Å; D3-A5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | I | 23.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 94.8 | 174.6 | -61.8 | 175.3 | 0 | 0 | 0 | 106.9 | D2 V6 | D2-I4 PolarHBondContact O-N 3.15Å; I4-V6 PolarHBondContact O-N 3.39Å | ||
| 5 | A | 23.4 | Very low | 32.2 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | -60.1 | 118.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | D3 P7 | D3-A5 PolarHBondContact O-N 3.39Å; D3-A5 VanDerWaalsContact O-N 3.07Å; A5-P7 WeakPolarHBondContact O-CD 3.42Å | ||
| 6 | V | 24.6 | Very low | 35.7 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -68.7 | 122.8 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | I4 I8 | I4-V6 PolarHBondContact O-N 3.39Å; V6-I8 PolarHBondContact O-N 2.81Å | ||
| 7 | P | 22.8 | Very low | 39 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -72.6 | 100.8 | 178.8 | 28.3 | -30.8 | 0 | 0 | 0 | 109 | A5 A9 | A5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-A9 PolarHBondContact O-N 3.02Å | ||
| 8 | I | 28.3 | Very low | 42.1 | Very low | 159 Ų | 159 | 114.7 Ų | 114.7 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | trans | -61.9 | 130 | 161.7 | -60.6 | 172.3 | 0 | 0 | 0 | 106.5 | V6 S10 | V6-I8 PolarHBondContact O-N 2.81Å; I8-S10 PolarHBondContact O-N 2.65Å | ||
| 9 | A | 26.8 | Very low | 44.9 | Very low | 47 Ų | 47 | 109.2 Ų | 109.2 | 39% | 0.388 | 65% | 0.648 | S | S | . | * | trans | -50 | 115.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P7 T11 | P7-A9 PolarHBondContact O-N 3.02Å; A9-T11 PolarHBondContact O-N 3.09Å | ||
| 10 | S | 27 | Very low | 47.4 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | trans | -70.5 | 96.1 | 170.7 | 54.4 | 0 | 0 | 0 | 0 | 109 | I8 S12 | I8-S10 PolarHBondContact O-N 2.65Å; S10-S12 PolarHBondContact O-N 2.99Å | ||
| 11 | T | 30.3 | Very low | 49.7 | Very low | 118 Ų | 118 | 102.3 Ų | 102.3 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | trans | -73.3 | 102.5 | 156.8 | 43.5 | 0 | 0 | 0 | 0 | 106.9 | A9 G13 | A9-T11 PolarHBondContact O-N 3.09Å; T11-G13 PolarHBondContact O-N 3.2Å | ||
| 12 | S | 35.8 | Very low | 52.8 | Low | 130 Ų | 130 | 91.4 Ų | 91.4 | 91% | 0.909 | 55% | 0.549 | S | S | * | . | trans | -75.8 | 66 | 173.6 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | S10 | S10-S12 PolarHBondContact O-N 2.99Š| ||
| 13 | G | 40.7 | Very low | 56.3 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -129.9 | 141.8 | 157 | 0 | 0 | 0 | 0 | 0 | 106.2 | T11 D15 | T11-G13 PolarHBondContact O-N 3.2Å; G13-D15 VanDerWaalsContact C-N 3.32Å; G13-D15 PolarHBondContact O-N 3.19Å |
| 14 | E | 50.4 | Low | 59.8 | Low | 199 Ų | 199 | 80.4 Ų | 80.4 | 93% | 0.93 | 49% | 0.492 | S | S | * | . | trans | -59.7 | 100.9 | 172.8 | -74.5 | -178.4 | 162.6 | 0 | 0 | 108 | S16 | E14-S16 PolarHBondContact O-N 3.22Š| ||
| 15 | D | 72.5 | Confident | 63.1 | Low | 61 Ų | 61 | 77.3 Ų | 77.3 | 33% | 0.326 | 48% | 0.481 | S | S | . | . | trans | -62.8 | 121 | 178.6 | -155.6 | 10.1 | 0 | 0 | 0 | 107.2 | G13 V17 K161 S163 | G13-D15 VanDerWaalsContact C-N 3.32Å; G13-D15 PolarHBondContact O-N 3.19Å; D15-V17 PolarHBondContact O-N 3.04Å; D15-K161 HydrophobicContact CB-CD 4.4Å; D15-K161 HydrophobicContact CB-CG 4.41Å; D15-S163 WeakPolarHBondContact OD2-CB 3.36Å; D15-S163 PolarHBondContact OD2-OG 2.74Å | ||
| 16 | S | 88.9 | Confident | 66.5 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | trans | -60.1 | 137.9 | -172.7 | 127.9 | 0 | 0 | 0 | 0 | 109.4 | E14 E162 | E14-S16 PolarHBondContact O-N 3.22Å; S16-E162 VanDerWaalsContact CB-OE2 3.29Å; S16-E162 WeakPolarHBondContact CB-OE2 3.46Å; S16-E162 VanDerWaalsContact O-CB 3.32Å; S16-E162 WeakPolarHBondContact O-CB 3.34Å; S16-E162 PolarHBondContact O-N 2.97Å; S16-E162 PolarHBondContact OG-OE2 3.4Å | ||
| 17 | V | 91.8 | Very high | 69.7 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.9 | -179 | 179 | 0 | 0 | 0 | 0 | 109.4 | D15 E96 K159 | D15-V17 PolarHBondContact O-N 3.04Å; V17-E96 HydrophobicContact CG2-CG 4.49Å; V17-K159 HydrophobicContact CG1-CB 3.7Å; V17-K159 HydrophobicContact CG1-CD 4.35Å; V17-K159 HydrophobicContact CG1-CG 4.32Å |
| 18 | I | 93.9 | Very high | 73 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.4 | 177.4 | -51.8 | 174.5 | 0 | 0 | 0 | 108.3 | F20 Y50 K159 M160 E162 F165 L387 | I18-F20 HydrophobicContact CB-CE2 3.93Å; I18-F20 HydrophobicContact CB-CZ 4.24Å; I18-F20 HydrophobicContact CG2-CD2 4.27Å; I18-F20 HydrophobicContact CG2-CE1 4.18Å; I18-F20 HydrophobicContact CG2-CE2 3.59Å; I18-F20 HydrophobicContact CG2-CZ 3.54Å; I18-Y50 HydrophobicContact CD1-CD1 3.21Å; I18-Y50 HydrophobicContact CD1-CD2 3.95Å; I18-Y50 HydrophobicContact CD1-CE1 3.33Å; I18-Y50 HydrophobicContact CD1-CE2 4.06Å; I18-Y50 HydrophobicContact CD1-CG 3.52Å; I18-K159 WeakPolarHBondContact O-CA 3.45Å; I18-M160 PolarHBondContact N-O 3.08Å; I18-M160 PolarHBondContact O-N 2.88Å; I18-E162 HydrophobicContact CD1-CB 3.87Å; I18-E162 HydrophobicContact CD1-CG 4Å; I18-E162 HydrophobicContact CG1-CB 4.1Å; I18-F165 HydrophobicContact CD1-CD2 4.01Å; I18-F165 HydrophobicContact CD1-CE2 4.31Å; I18-L387 HydrophobicContact CG2-CD2 3.54Å |
| 19 | S | 94.9 | Very high | 75.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.6 | -178.8 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | E157 I158 S388 | S19-E157 VanDerWaalsContact OG-CD 3.31Å; S19-E157 WeakPolarHBondContact OG-CG 3.45Å; S19-E157 PolarHBondContact OG-OE1 3.44Å; S19-I158 WeakPolarHBondContact CA-O 3.34Å; S19-S388 WeakPolarHBondContact CB-OG 3.41Å; S19-S388 PolarHBondContact O-N 2.83Å; S19-S388 PolarHBondContact O-OG 2.9Å; S19-S388 PolarHBondContact OG-OG 2.91Å |
| 20 | F | 96.1 | Very high | 78.8 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.013 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.6 | -176.6 | -61.6 | -88.1 | 0 | 0 | 0 | 109.7 | I18 T48 E157 I158 M160 F165 V385 S386 L387 | I18-F20 HydrophobicContact CB-CE2 3.93Å; I18-F20 HydrophobicContact CB-CZ 4.24Å; I18-F20 HydrophobicContact CG2-CD2 4.27Å; I18-F20 HydrophobicContact CG2-CE1 4.18Å; I18-F20 HydrophobicContact CG2-CE2 3.59Å; I18-F20 HydrophobicContact CG2-CZ 3.54Å; F20-T48 HydrophobicContact CB-CG2 3.53Å; F20-T48 HydrophobicContact CD1-CG2 3.84Å; F20-T48 HydrophobicContact CD2-CG2 3.76Å; F20-T48 HydrophobicContact CE1-CG2 4.47Å; F20-T48 HydrophobicContact CE2-CG2 4.42Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; F20-E157 CarbonylContact O-C 3.47Å; F20-E157 VanDerWaalsContact O-CA 3.28Å; F20-E157 WeakPolarHBondContact O-CA 3.34Å; F20-I158 PolarHBondContact N-O 3.4Å; F20-I158 PolarHBondContact O-N 3.09Å; F20-M160 HydrophobicContact CE2-CB 4.37Å; F20-M160 HydrophobicContact CE2-SD 4.4Å; F20-F165 HydrophobicContact CE1-CZ 4.49Å; F20-F165 HydrophobicContact CE2-CE1 4.41Å; F20-F165 AromaticContact CE2-CE2 3.81Å; F20-F165 HydrophobicContact CE2-CE2 3.81Å; F20-F165 AromaticContact CE2-CZ 3.45Å; F20-F165 HydrophobicContact CE2-CZ 3.45Å; F20-F165 VanDerWaalsContact CE2-CZ 3.45Å; F20-F165 AromaticContact CZ-CE1 3.91Å; F20-F165 HydrophobicContact CZ-CE1 3.91Å; F20-F165 AromaticContact CZ-CE2 3.89Å; F20-F165 HydrophobicContact CZ-CE2 3.89Å; F20-F165 AromaticContact CZ-CZ 3.35Å; F20-F165 HydrophobicContact CZ-CZ 3.35Å; F20-V385 HydrophobicContact CB-CG1 3.75Å; F20-V385 HydrophobicContact CD1-CG1 3.94Å; F20-V385 HydrophobicContact CG-CG1 4.31Å; F20-S386 CarbonylContact C-O 3.52Å; F20-S386 WeakPolarHBondContact CA-O 3.42Å; F20-L387 HydrophobicContact CD1-CD2 3.62Å; F20-L387 HydrophobicContact CD1-CG 4.43Å; F20-L387 HydrophobicContact CE1-CD2 3.3Å; F20-L387 HydrophobicContact CE1-CG 4.29Å; F20-L387 HydrophobicContact CG-CD2 4.5Å; F20-L387 HydrophobicContact CZ-CD2 3.95Å |
| 21 | Q | 96.2 | Very high | 81.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.5 | 179 | -174.9 | 177.7 | 75.3 | 0 | 0 | 111.1 | V155 V156 V385 S386 | Q21-V155 HydrophobicContact CG-CG1 3.6Å; Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.43Å; Q21-V385 WeakPolarHBondContact O-CA 3.48Å; Q21-S386 PolarHBondContact N-O 3.01Å; Q21-S386 PolarHBondContact O-N 3.37Å; Q21-S386 PolarHBondContact O-OG 2.77Å |
| 22 | H | 96.1 | Very high | 84 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.3 | 175.7 | 178.6 | 50.7 | 0 | 0 | 0 | 111.1 | F46 V156 R384 V385 | H22-F46 HydrophobicContact CB-CD2 3.87Å; H22-F46 HydrophobicContact CB-CE2 3.79Å; H22-F46 HydrophobicContact CB-CG 4.34Å; H22-F46 HydrophobicContact CB-CZ 4.23Å; H22-F46 AromaticContact CD2-CD1 3.33Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.31Å; H22-F46 AromaticContact CD2-CD2 3.98Å; H22-F46 AromaticContact CD2-CE1 3.4Å; H22-F46 VanDerWaalsContact CD2-CE1 3.4Å; H22-F46 WeakPolarHBondContact CD2-CE1 3.42Å; H22-F46 AromaticContact CD2-CG 3.63Å; H22-F46 AromaticContact CD2-CZ 3.73Å; H22-F46 AromaticContact CG-CD1 3.88Å; H22-F46 AromaticContact CG-CD2 3.72Å; H22-F46 AromaticContact CG-CE2 3.93Å; H22-F46 AromaticContact CG-CG 3.67Å; H22-F46 AromaticContact ND1-CG 3.89Å; H22-F46 AromaticContact NE2-CD1 3.45Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.34Å; H22-F46 AromaticContact NE2-CE1 3.92Å; H22-F46 AromaticContact NE2-CG 3.84Å; H22-V156 PolarHBondContact N-O 3.39Å; H22-V156 PolarHBondContact O-N 3.28Å; H22-R384 PolarHBondContact ND1-O 2.78Å; H22-V385 HydrophobicContact CB-CG2 4.46Å |
| 23 | P | 95.1 | Very high | 86 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.2 | 167.4 | 31 | -31 | 0 | 0 | 0 | 111.2 | L153 | P23-L153 HydrophobicContact CB-CD1 3.94Å |
| 24 | W | 96.4 | Very high | 87.9 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 99.5 | 174.9 | 175.3 | 32 | 0 | 0 | 0 | 110.6 | L26 N41 S43 L59 L61 L81 V154 | W24-L26 HydrophobicContact CD2-CB 4.47Å; W24-L26 HydrophobicContact CD2-CD2 4.08Å; W24-L26 HydrophobicContact CE3-CD2 4.15Å; W24-L26 HydrophobicContact CH2-CD1 4.07Å; W24-L26 HydrophobicContact CH2-CD2 4.4Å; W24-L26 HydrophobicContact CZ2-CB 3.9Å; W24-L26 HydrophobicContact CZ2-CD1 4.01Å; W24-L26 HydrophobicContact CZ2-CD2 4.31Å; W24-L26 HydrophobicContact CZ2-CG 4.3Å; W24-L26 HydrophobicContact CZ3-CD2 4.32Å; W24-N41 HydrophobicContact CH2-CB 4.29Å; W24-N41 HydrophobicContact CZ2-CB 4.33Å; W24-S43 VanDerWaalsContact CE2-CB 3.49Å; W24-L59 HydrophobicContact CB-CD1 4.15Å; W24-L59 HydrophobicContact CD2-CB 4.4Å; W24-L59 HydrophobicContact CD2-CD1 4.28Å; W24-L59 HydrophobicContact CE3-CB 3.61Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.28Å; W24-L59 HydrophobicContact CH2-CB 4.4Å; W24-L59 HydrophobicContact CZ3-CB 3.6Å; W24-L59 HydrophobicContact CZ3-CD1 4.42Å; W24-L61 HydrophobicContact CH2-CB 4.15Å; W24-L61 HydrophobicContact CZ3-CB 4.37Å; W24-L81 HydrophobicContact CZ3-CD1 4.01Å; W24-V154 HydrophobicContact CB-CB 4.31Å; W24-V154 HydrophobicContact CE3-CB 4.03Å; W24-V154 HydrophobicContact CE3-CG1 4.37Å; W24-V154 HydrophobicContact CE3-CG2 3.96Å; W24-V154 HydrophobicContact CZ3-CG2 4.41Å; W24-V154 PolarHBondContact N-O 3.3Å; W24-V154 PolarHBondContact O-N 2.75Å |
| 25 | T | 93.9 | Very high | 89.2 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 56% | 0.564 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.5 | 167.4 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | L152 | T25-L152 WeakPolarHBondContact CA-O 3.46Å |
| 26 | L | 93.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.8 | 174 | 72.7 | 148.2 | 0 | 0 | 0 | 111.8 | W24 V28 N41 L61 N151 L152 V154 | W24-L26 HydrophobicContact CD2-CB 4.47Å; W24-L26 HydrophobicContact CD2-CD2 4.08Å; W24-L26 HydrophobicContact CE3-CD2 4.15Å; W24-L26 HydrophobicContact CH2-CD1 4.07Å; W24-L26 HydrophobicContact CH2-CD2 4.4Å; W24-L26 HydrophobicContact CZ2-CB 3.9Å; W24-L26 HydrophobicContact CZ2-CD1 4.01Å; W24-L26 HydrophobicContact CZ2-CD2 4.31Å; W24-L26 HydrophobicContact CZ2-CG 4.3Å; W24-L26 HydrophobicContact CZ3-CD2 4.32Å; L26-V28 HydrophobicContact CD1-CG2 4.14Å; L26-V28 HydrophobicContact CG-CG2 4.46Å; L26-N41 HydrophobicContact CD1-CB 3.82Å; L26-L61 HydrophobicContact CD1-CD2 3.96Å; L26-N151 CarbonylContact O-C 3.47Å; L26-N151 VanDerWaalsContact O-CA 3.27Å; L26-N151 WeakPolarHBondContact O-CA 3.39Å; L26-L152 HydrophobicContact CD2-CB 4.17Å; L26-L152 PolarHBondContact N-O 2.94Å; L26-L152 PolarHBondContact O-N 2.96Å; L26-V154 HydrophobicContact CD2-CB 4.47Å; L26-V154 HydrophobicContact CD2-CG2 3.41Å; L26-V154 VanDerWaalsContact CD2-CG2 3.41Å |
| 27 | K | 92.8 | Very high | 89.1 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.9 | 157.6 | -171.8 | -178.9 | 179.5 | -172.1 | 0 | 107.1 | C29 N41 D149 S150 N151 | K27-C29 PolarHBondContact O-N 3.13Å; K27-C29 VanDerWaalsContact O-N 3.11Å; K27-N41 PolarHBondContact O-OD1 3.16Å; K27-D149 WeakPolarHBondContact CE-O 3.44Å; K27-S150 WeakPolarHBondContact CA-O 3.44Å; K27-N151 WeakPolarHBondContact CA-OD1 3.41Å; K27-N151 WeakPolarHBondContact CB-OD1 2.98Å |
| 28 | V | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -72.2 | 108.2 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | L26 L39 V144 K147 V148 D149 S150 L152 | L26-V28 HydrophobicContact CD1-CG2 4.14Å; L26-V28 HydrophobicContact CG-CG2 4.46Å; V28-L39 HydrophobicContact CG1-CD1 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.39Å; V28-V144 HydrophobicContact CG1-CG1 4.1Å; V28-K147 WeakPolarHBondContact CB-O 3.28Å; V28-V148 HydrophobicContact CG1-CG2 4.11Å; V28-D149 PolarHBondContact O-N 3.17Å; V28-S150 PolarHBondContact N-O 3.33Å; V28-L152 HydrophobicContact CG2-CB 4.39Å; V28-L152 HydrophobicContact CG2-CD1 3.5Å; V28-L152 VanDerWaalsContact CG2-CD1 3.5Å; V28-L152 HydrophobicContact CG2-CG 3.82Å | ||
| 29 | C | 88.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 31% | 0.311 | 34% | 0.338 | S | S | . | . | trans | -109.9 | 147.8 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | K27 N41 | K27-C29 PolarHBondContact O-N 3.13Å; K27-C29 VanDerWaalsContact O-N 3.11Å; C29-N41 PolarHBondContact N-OD1 3.18Å; C29-N41 VanDerWaalsContact N-OD1 3.09Å; C29-N41 PolarHBondContact O-ND2 2.94Å | ||
| 30 | Q | 88.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.7 | 165.4 | -65.8 | -179.1 | -40.2 | 0 | 0 | 109.8 | T37 I38 V148 | Q30-T37 HydrophobicContact CB-CG2 3.46Å; Q30-T37 VanDerWaalsContact CB-CG2 3.46Å; Q30-T37 HydrophobicContact CG-CG2 4.05Å; Q30-I38 CarbonylContact C-O 3.53Å; Q30-I38 WeakPolarHBondContact CA-O 3.48Å; Q30-V148 HydrophobicContact CG-CG1 4.03Å; Q30-V148 HydrophobicContact CG-CG2 4Å |
| 31 | R | 83.1 | Confident | 88.2 | Confident | 148 Ų | 148 | 69.5 Ų | 69.5 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134 | 174 | -66.4 | -173.3 | -178.4 | -171.1 | -1.2 | 108.6 | I38 | R31-I38 PolarHBondContact N-O 2.87Å; R31-I38 PolarHBondContact O-N 3.37Å |
| 32 | Q | 82.3 | Confident | 88.2 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.7 | 167.4 | -171.3 | 174 | -2.9 | 0 | 0 | 108.3 | E34 | Q32-E34 PolarHBondContact NE2-O 3.4Å |
| 33 | I | 77.8 | Confident | 88.2 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 42% | 0.415 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 112.9 | 172 | -57.9 | -171.1 | 0 | 0 | 0 | 105.9 | D35 E36 I38 | I33-D35 PolarHBondContact O-N 3.13Å; I33-E36 PolarHBondContact N-O 3.41Å; I33-E36 PolarHBondContact O-N 3.39Å; I33-E36 VanDerWaalsContact O-O 3.08Å; I33-I38 HydrophobicContact CD1-CD1 3.4Å; I33-I38 VanDerWaalsContact CD1-CD1 3.4Å; I33-I38 HydrophobicContact CD1-CG1 3.83Å; I33-I38 HydrophobicContact CG1-CD1 4.23Å; I33-I38 HydrophobicContact CG1-CG1 4.12Å |
| 34 | E | 80.8 | Confident | 88.1 | Confident | 176 Ų | 176 | 76.1 Ų | 76.1 | 82% | 0.822 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -120.5 | -171.8 | -56.1 | 178.3 | 171.8 | 0 | 0 | 110.9 | Q32 | Q32-E34 PolarHBondContact NE2-O 3.4Š|
| 35 | D | 78.8 | Confident | 88.1 | Confident | 163 Ų | 163 | 76.7 Ų | 76.7 | 87% | 0.872 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 4.3 | 179.5 | -66.9 | -29.8 | 0 | 0 | 0 | 113.1 | I33 | I33-D35 PolarHBondContact O-N 3.13Š|
| 36 | E | 77.8 | Confident | 88.3 | Confident | 89 Ų | 89 | 72.3 Ų | 72.3 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.9 | -176 | -66 | -167.8 | 160.7 | 0 | 0 | 112.6 | I33 Y65 R77 | I33-E36 PolarHBondContact N-O 3.41Å; I33-E36 PolarHBondContact O-N 3.39Å; I33-E36 VanDerWaalsContact O-O 3.08Å; E36-Y65 VanDerWaalsContact CD-OH 3.27Å; E36-Y65 PolarHBondContact OE1-OH 3.17Å; E36-Y65 PolarHBondContact OE2-OH 3.01Å; E36-R77 IonicContact OE1-NH2 3.71Å; E36-R77 IonicContact OE2-CZ 2.68Å; E36-R77 IonicContact OE2-NH2 2.88Å; E36-R77 PolarHBondContact OE2-NH2 2.79Å |
| 37 | T | 80.6 | Confident | 88.4 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120 | 170.2 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | Q30 R77 | Q30-T37 HydrophobicContact CB-CG2 3.46Å; Q30-T37 VanDerWaalsContact CB-CG2 3.46Å; Q30-T37 HydrophobicContact CG-CG2 4.05Å; T37-R77 PolarHBondContact O-NH1 2.98Å |
| 38 | I | 85.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.1 | 178 | 67.7 | 159.9 | 0 | 0 | 0 | 111.5 | Q30 R31 I33 L40 | Q30-I38 CarbonylContact C-O 3.53Å; Q30-I38 WeakPolarHBondContact CA-O 3.48Å; R31-I38 PolarHBondContact N-O 2.87Å; R31-I38 PolarHBondContact O-N 3.37Å; I33-I38 HydrophobicContact CD1-CD1 3.4Å; I33-I38 VanDerWaalsContact CD1-CD1 3.4Å; I33-I38 HydrophobicContact CD1-CG1 3.83Å; I33-I38 HydrophobicContact CG1-CD1 4.23Å; I33-I38 HydrophobicContact CG1-CG1 4.12Å; I38-L40 HydrophobicContact CD1-CB 4.35Å |
| 39 | L | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.8 | 167.2 | -163.7 | 147.8 | 0 | 0 | 0 | 109.3 | V28 N41 L61 T62 D63 V79 V144 | V28-L39 HydrophobicContact CG1-CD1 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.39Å; L39-N41 WeakPolarHBondContact CD2-ND2 3.23Å; L39-L61 HydrophobicContact CD2-CB 4.07Å; L39-L61 HydrophobicContact CD2-CD2 3.91Å; L39-L61 HydrophobicContact CD2-CG 3.63Å; L39-L61 VanDerWaalsContact CD2-O 3.31Å; L39-L61 WeakPolarHBondContact CD2-O 3.26Å; L39-T62 CarbonylContact O-C 3.54Å; L39-T62 VanDerWaalsContact O-CA 3.23Å; L39-T62 WeakPolarHBondContact O-CA 3.23Å; L39-T62 PolarHBondContact O-OG1 2.93Å; L39-D63 HydrophobicContact CB-CB 4.41Å; L39-D63 WeakPolarHBondContact CB-OD2 3.25Å; L39-D63 PolarHBondContact N-OD2 3.46Å; L39-D63 PolarHBondContact O-N 3.43Å; L39-V79 HydrophobicContact CD1-CG2 4.49Å; L39-V144 HydrophobicContact CD1-CG1 3.36Å |
| 40 | L | 90.8 | Very high | 88.8 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 99.9 | 175.1 | -179.1 | 62.6 | 0 | 0 | 0 | 110.4 | I38 V42 R60 | I38-L40 HydrophobicContact CD1-CB 4.35Å; L40-V42 HydrophobicContact CD1-CG2 4.48Å; L40-R60 HydrophobicContact CD1-CG 4.23Å; L40-R60 VanDerWaalsContact CD1-NE 3.29Å |
| 41 | N | 94.4 | Very high | 88.8 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.8 | 179.1 | -62.4 | -88.4 | 0 | 0 | 0 | 109 | W24 L26 K27 C29 L39 R60 L61 | W24-N41 HydrophobicContact CH2-CB 4.29Å; W24-N41 HydrophobicContact CZ2-CB 4.33Å; L26-N41 HydrophobicContact CD1-CB 3.82Å; K27-N41 PolarHBondContact O-OD1 3.16Å; C29-N41 PolarHBondContact N-OD1 3.18Å; C29-N41 VanDerWaalsContact N-OD1 3.09Å; C29-N41 PolarHBondContact O-ND2 2.94Å; L39-N41 WeakPolarHBondContact CD2-ND2 3.23Å; N41-R60 CarbonylContact O-C 3.59Å; N41-R60 WeakPolarHBondContact O-CA 3.26Å; N41-L61 HydrophobicContact CB-CB 4.37Å; N41-L61 PolarHBondContact N-O 2.92Å; N41-L61 PolarHBondContact O-N 3.2Å |
| 42 | V | 94.6 | Very high | 89.1 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.4 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | L40 L59 R60 | L40-V42 HydrophobicContact CD1-CG2 4.48Å; V42-L59 CarbonylContact C-O 3.55Å; V42-L59 WeakPolarHBondContact CA-O 3.5Å; V42-R60 HydrophobicContact CG2-CB 4.42Å; V42-R60 HydrophobicContact CG2-CG 4.16Å |
| 43 | S | 96.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 158.9 | 176.3 | 82.4 | 0 | 0 | 0 | 0 | 110.7 | W24 L59 | W24-S43 VanDerWaalsContact CE2-CB 3.49Å; S43-L59 PolarHBondContact N-O 3.35Å; S43-L59 PolarHBondContact OG-N 3.49Å |
| 44 | R | 94.8 | Very high | 90.4 | Very high | 187 Ų | 187 | 53.7 Ų | 53.7 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147.3 | 160.4 | -68.5 | -178.1 | 178.4 | 167.2 | -1.2 | 108.6 | ||
| 45 | P | 96.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 145.4 | 173.7 | -24.9 | 34.5 | 0 | 0 | 0 | 111.9 | T56 W57 K86 R381 R384 | P45-T56 HydrophobicContact CB-CG2 3.83Å; P45-W57 CarbonylContact C-O 3.6Å; P45-W57 WeakPolarHBondContact CA-O 3.21Å; P45-K86 HydrophobicContact CB-CD 4.19Å; P45-K86 HydrophobicContact CG-CD 4Å; P45-R381 HydrophobicContact CB-CG 4.36Å; P45-R384 PolarHBondContact O-NH1 2.83Å |
| 46 | F | 96.9 | Very high | 92 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.3 | 174.9 | 62.3 | -85.2 | 0 | 0 | 0 | 108.9 | H22 T56 W57 L59 L83 I158 R384 V385 | H22-F46 HydrophobicContact CB-CD2 3.87Å; H22-F46 HydrophobicContact CB-CE2 3.79Å; H22-F46 HydrophobicContact CB-CG 4.34Å; H22-F46 HydrophobicContact CB-CZ 4.23Å; H22-F46 AromaticContact CD2-CD1 3.33Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.31Å; H22-F46 AromaticContact CD2-CD2 3.98Å; H22-F46 AromaticContact CD2-CE1 3.4Å; H22-F46 VanDerWaalsContact CD2-CE1 3.4Å; H22-F46 WeakPolarHBondContact CD2-CE1 3.42Å; H22-F46 AromaticContact CD2-CG 3.63Å; H22-F46 AromaticContact CD2-CZ 3.73Å; H22-F46 AromaticContact CG-CD1 3.88Å; H22-F46 AromaticContact CG-CD2 3.72Å; H22-F46 AromaticContact CG-CE2 3.93Å; H22-F46 AromaticContact CG-CG 3.67Å; H22-F46 AromaticContact ND1-CG 3.89Å; H22-F46 AromaticContact NE2-CD1 3.45Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.34Å; H22-F46 AromaticContact NE2-CE1 3.92Å; H22-F46 AromaticContact NE2-CG 3.84Å; F46-T56 CarbonylContact O-C 3.54Å; F46-T56 WeakPolarHBondContact O-CA 3.36Å; F46-W57 HydrophobicContact CD1-CB 4.33Å; F46-W57 HydrophobicContact CD2-CB 4.14Å; F46-W57 HydrophobicContact CE1-CB 3.8Å; F46-W57 HydrophobicContact CE2-CB 3.62Å; F46-W57 HydrophobicContact CE2-CG 4.06Å; F46-W57 HydrophobicContact CG-CB 4.49Å; F46-W57 HydrophobicContact CZ-CB 3.44Å; F46-W57 VanDerWaalsContact CZ-CB 3.44Å; F46-W57 HydrophobicContact CZ-CG 4.26Å; F46-W57 PolarHBondContact N-O 2.87Å; F46-W57 PolarHBondContact O-N 2.89Å; F46-L59 HydrophobicContact CE1-CD1 4.37Å; F46-L59 HydrophobicContact CE1-CG 4Å; F46-L59 HydrophobicContact CZ-CG 4.38Å; F46-L83 HydrophobicContact CZ-CD1 3.96Å; F46-I158 HydrophobicContact CE2-CD1 3.79Å; F46-I158 HydrophobicContact CZ-CD1 4.14Å; F46-R384 HydrophobicContact CB-CB 4.04Å; F46-V385 HydrophobicContact CB-CG2 3.95Å; F46-V385 HydrophobicContact CD2-CG2 3.59Å; F46-V385 HydrophobicContact CG-CG2 4.22Å |
| 47 | S | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.3 | -174.6 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | F55 T56 R381 V385 | S47-F55 CarbonylContact C-O 3.6Å; S47-F55 WeakPolarHBondContact CA-O 3.47Å; S47-T56 PolarHBondContact OG-OG1 3.46Å; S47-R381 PolarHBondContact N-O 2.99Å; S47-R381 WeakPolarHBondContact OG-CB 3.36Å; S47-R381 WeakPolarHBondContact OG-CD 3.36Å; S47-V385 VanDerWaalsContact O-CG2 3.24Å; S47-V385 WeakPolarHBondContact O-CG2 3.46Å |
| 48 | T | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.3 | 163.6 | 55.3 | 0 | 0 | 0 | 0 | 107.3 | F20 Q54 F55 W57 I158 V385 | F20-T48 HydrophobicContact CB-CG2 3.53Å; F20-T48 HydrophobicContact CD1-CG2 3.84Å; F20-T48 HydrophobicContact CD2-CG2 3.76Å; F20-T48 HydrophobicContact CE1-CG2 4.47Å; F20-T48 HydrophobicContact CE2-CG2 4.42Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; T48-Q54 VanDerWaalsContact O-CA 3.22Å; T48-Q54 WeakPolarHBondContact O-CA 3.35Å; T48-F55 PolarHBondContact N-O 3.38Å; T48-F55 PolarHBondContact O-N 2.99Å; T48-F55 PolarHBondContact OG1-O 3.06Å; T48-W57 PolarHBondContact OG1-NE1 3.42Å; T48-W57 VanDerWaalsContact OG1-NE1 3.09Å; T48-I158 HydrophobicContact CG2-CD1 4.44Å; T48-V385 HydrophobicContact CG2-CG1 4.38Å |
| 49 | S | 93.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 12% | 0.119 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.7 | -177 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V53 | S49-V53 WeakPolarHBondContact CA-O 3.37Å |
| 50 | Y | 91.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 28% | 0.275 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 143.9 | 172.6 | -178.3 | -100.4 | 0 | 0 | 0 | 108.8 | I18 H52 V53 E162 F165 | I18-Y50 HydrophobicContact CD1-CD1 3.21Å; I18-Y50 HydrophobicContact CD1-CD2 3.95Å; I18-Y50 HydrophobicContact CD1-CE1 3.33Å; I18-Y50 HydrophobicContact CD1-CE2 4.06Å; I18-Y50 HydrophobicContact CD1-CG 3.52Å; Y50-H52 PolarHBondContact O-N 3.4Å; Y50-V53 PolarHBondContact N-O 3.16Å; Y50-V53 VanDerWaalsContact N-O 3.15Å; Y50-V53 PolarHBondContact O-N 3.05Å; Y50-E162 HydrophobicContact CE1-CG 3.83Å; Y50-E162 VanDerWaalsContact CE1-OE1 3.31Å; Y50-E162 WeakPolarHBondContact CE1-OE1 3.32Å; Y50-E162 PolarHBondContact OH-OE1 2.73Å; Y50-F165 HydrophobicContact CD1-CB 3.66Å; Y50-F165 HydrophobicContact CD1-CD2 4.29Å; Y50-F165 AromaticContact CD1-CG 3.97Å; Y50-F165 HydrophobicContact CD1-CG 3.97Å; Y50-F165 HydrophobicContact CG-CB 4.43Å; Y50-F165 HydrophobicContact CG-CG 4.37Å; Y50-F165 WeakPolarHBondContact O-CD1 3.33Å |
| 51 | K | 88.9 | Confident | 94.9 | Very high | 82 Ų | 82 | 31 Ų | 31 | 36% | 0.357 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 40.1 | -175.6 | -72.9 | 174.7 | 172.4 | 170 | 0 | 113.5 | V53 E162 F165 E166 | K51-V53 PolarHBondContact O-N 2.67Å; K51-V53 VanDerWaalsContact O-N 3.13Å; K51-E162 WeakPolarHBondContact CE-OE1 3.38Å; K51-E162 IonicContact NZ-OE1 3.06Å; K51-E162 PolarHBondContact NZ-OE1 3.26Å; K51-F165 HydrophobicContact CB-CB 4.46Å; K51-F165 WeakPolarHBondContact CB-O 3.25Å; K51-E166 WeakPolarHBondContact CD-OE1 3.28Å; K51-E166 IonicContact NZ-OE1 3.24Å; K51-E166 PolarHBondContact NZ-OE1 3.38Å |
| 52 | H | 89.3 | Confident | 94.8 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 12.4 | -179.2 | -39.9 | -54.5 | 0 | 0 | 0 | 116.3 | Y50 Q54 V325 F329 D332 | Y50-H52 PolarHBondContact O-N 3.4Å; H52-Q54 PolarHBondContact O-NE2 3.45Å; H52-V325 HydrophobicContact CB-CG1 4.3Å; H52-V325 WeakPolarHBondContact CB-O 3.36Å; H52-F329 AromaticContact CE1-CD2 3.99Å; H52-F329 WeakPolarHBondContact ND1-CA 3.49Å; H52-D332 IonicContact CE1-OD2 2.75Å; H52-D332 PolarHBondContact CE1-OD2 2.89Å; H52-D332 IonicContact ND1-OD2 2.74Å; H52-D332 PolarHBondContact ND1-OD2 3.45Å |
| 53 | V | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.1 | 169.8 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | S49 Y50 K51 F55 P89 F165 P167 Y170 M324 | S49-V53 WeakPolarHBondContact CA-O 3.37Å; Y50-V53 PolarHBondContact N-O 3.16Å; Y50-V53 VanDerWaalsContact N-O 3.15Å; Y50-V53 PolarHBondContact O-N 3.05Å; K51-V53 PolarHBondContact O-N 2.67Å; K51-V53 VanDerWaalsContact O-N 3.13Å; V53-F55 HydrophobicContact CG1-CE2 4.01Å; V53-P89 HydrophobicContact CG1-CG 3.99Å; V53-F165 HydrophobicContact CB-CB 4.26Å; V53-F165 HydrophobicContact CB-CD1 4Å; V53-F165 HydrophobicContact CG1-CD1 4.22Å; V53-F165 WeakPolarHBondContact CG2-O 3.43Å; V53-F165 WeakPolarHBondContact O-CD1 3.42Å; V53-P167 HydrophobicContact CG2-CB 4.26Å; V53-P167 HydrophobicContact CG2-CG 3.65Å; V53-Y170 HydrophobicContact CG1-CE2 4.01Å; V53-M324 HydrophobicContact CB-CE 4.3Å; V53-M324 HydrophobicContact CB-SD 4.42Å; V53-M324 HydrophobicContact CG1-CE 4Å; V53-M324 HydrophobicContact CG1-SD 3.87Å; V53-M324 HydrophobicContact CG2-CE 3.86Å |
| 54 | Q | 94.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.8 | -178.5 | -49.1 | 83.4 | 26.2 | 0 | 0 | 114.2 | T48 H52 P89 L378 | T48-Q54 VanDerWaalsContact O-CA 3.22Å; T48-Q54 WeakPolarHBondContact O-CA 3.35Å; H52-Q54 PolarHBondContact O-NE2 3.45Å; Q54-P89 WeakPolarHBondContact O-CD 3.26Å; Q54-L378 HydrophobicContact CB-CD1 4.18Å; Q54-L378 HydrophobicContact CG-CD1 3.99Å; Q54-L378 HydrophobicContact CG-CD2 4.25Å |
| 55 | F | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.6 | 167.2 | -58.4 | -100.1 | 0 | 0 | 0 | 108.8 | S47 T48 V53 W57 Y85 P89 V93 M160 L164 F165 Y170 | S47-F55 CarbonylContact C-O 3.6Å; S47-F55 WeakPolarHBondContact CA-O 3.47Å; T48-F55 PolarHBondContact N-O 3.38Å; T48-F55 PolarHBondContact O-N 2.99Å; T48-F55 PolarHBondContact OG1-O 3.06Å; V53-F55 HydrophobicContact CG1-CE2 4.01Å; F55-W57 HydrophobicContact CB-CZ2 3.75Å; F55-W57 HydrophobicContact CG-CZ2 4.34Å; F55-W57 PolarHBondContact O-NE1 2.98Å; F55-Y85 HydrophobicContact CB-CE2 4.35Å; F55-Y85 AromaticContact CD1-CE2 3.86Å; F55-Y85 HydrophobicContact CD1-CE2 3.86Å; F55-P89 HydrophobicContact CE1-CG 3.79Å; F55-P89 HydrophobicContact CE2-CG 4.46Å; F55-P89 HydrophobicContact CZ-CG 3.76Å; F55-V93 HydrophobicContact CD1-CB 4.39Å; F55-V93 HydrophobicContact CD1-CG1 4.47Å; F55-V93 HydrophobicContact CD1-CG2 4.07Å; F55-V93 HydrophobicContact CE1-CB 4.06Å; F55-V93 HydrophobicContact CE1-CG2 3.62Å; F55-V93 HydrophobicContact CZ-CG2 4.22Å; F55-M160 HydrophobicContact CB-CE 4.48Å; F55-M160 HydrophobicContact CD1-CE 4.14Å; F55-M160 HydrophobicContact CD2-CE 3.65Å; F55-M160 HydrophobicContact CD2-SD 4.44Å; F55-M160 HydrophobicContact CE1-CE 4.25Å; F55-M160 HydrophobicContact CE2-CE 3.78Å; F55-M160 HydrophobicContact CG-CE 3.84Å; F55-M160 HydrophobicContact CZ-CE 4.07Å; F55-L164 HydrophobicContact CE2-CB 4.22Å; F55-L164 VanDerWaalsContact CE2-O 3.3Å; F55-L164 WeakPolarHBondContact CE2-O 3.4Å; F55-L164 HydrophobicContact CZ-CB 4.02Å; F55-L164 WeakPolarHBondContact CZ-O 3.43Å; F55-F165 HydrophobicContact CD2-CD1 4.46Å; F55-F165 AromaticContact CD2-CE1 3.75Å; F55-F165 HydrophobicContact CD2-CE1 3.75Å; F55-F165 HydrophobicContact CD2-CZ 4.02Å; F55-F165 HydrophobicContact CE2-CD1 4.13Å; F55-F165 AromaticContact CE2-CE1 3.79Å; F55-F165 HydrophobicContact CE2-CE1 3.79Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.43Å |
| 56 | T | 96.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.4 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | P45 F46 S47 K86 E87 R381 | P45-T56 HydrophobicContact CB-CG2 3.83Å; F46-T56 CarbonylContact O-C 3.54Å; F46-T56 WeakPolarHBondContact O-CA 3.36Å; S47-T56 PolarHBondContact OG-OG1 3.46Å; T56-K86 HydrophobicContact CG2-CB 4.13Å; T56-K86 PolarHBondContact O-N 3.42Å; T56-E87 PolarHBondContact N-O 3.19Å; T56-E87 PolarHBondContact O-N 3.45Å; T56-R381 PolarHBondContact OG1-NH1 3.08Å |
| 57 | W | 97.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 164.1 | -175.8 | -50.9 | 92.5 | 0 | 0 | 0 | 111.4 | P45 F46 T48 F55 L83 Y84 Y85 V93 V95 F122 I158 M160 | P45-W57 CarbonylContact C-O 3.6Å; P45-W57 WeakPolarHBondContact CA-O 3.21Å; F46-W57 HydrophobicContact CD1-CB 4.33Å; F46-W57 HydrophobicContact CD2-CB 4.14Å; F46-W57 HydrophobicContact CE1-CB 3.8Å; F46-W57 HydrophobicContact CE2-CB 3.62Å; F46-W57 HydrophobicContact CE2-CG 4.06Å; F46-W57 HydrophobicContact CG-CB 4.49Å; F46-W57 HydrophobicContact CZ-CB 3.44Å; F46-W57 VanDerWaalsContact CZ-CB 3.44Å; F46-W57 HydrophobicContact CZ-CG 4.26Å; F46-W57 PolarHBondContact N-O 2.87Å; F46-W57 PolarHBondContact O-N 2.89Å; T48-W57 PolarHBondContact OG1-NE1 3.42Å; T48-W57 VanDerWaalsContact OG1-NE1 3.09Å; F55-W57 HydrophobicContact CB-CZ2 3.75Å; F55-W57 HydrophobicContact CG-CZ2 4.34Å; F55-W57 PolarHBondContact O-NE1 2.98Å; W57-L83 HydrophobicContact CB-CD1 4.03Å; W57-L83 HydrophobicContact CE3-CD1 4.19Å; W57-L83 HydrophobicContact CE3-CD2 3.98Å; W57-L83 HydrophobicContact CE3-CG 3.94Å; W57-L83 HydrophobicContact CG-CD1 4.49Å; W57-L83 HydrophobicContact CZ3-CD2 4.21Å; W57-L83 HydrophobicContact CZ3-CG 4.5Å; W57-Y84 CarbonylContact C-O 3.49Å; W57-Y84 WeakPolarHBondContact CA-O 3.22Å; W57-Y85 HydrophobicContact CE3-CD2 4.35Å; W57-Y85 HydrophobicContact CH2-CD2 4.19Å; W57-Y85 HydrophobicContact CH2-CG 4.45Å; W57-Y85 HydrophobicContact CZ3-CD2 4.12Å; W57-Y85 HydrophobicContact CZ3-CG 4.16Å; W57-V93 HydrophobicContact CH2-CG1 3.81Å; W57-V95 HydrophobicContact CH2-CG2 3.6Å; W57-V95 HydrophobicContact CZ2-CG2 4.34Å; W57-V95 HydrophobicContact CZ3-CG2 4.31Å; W57-F122 HydrophobicContact CZ3-CB 4.48Å; W57-F122 HydrophobicContact CZ3-CD1 4.03Å; W57-F122 HydrophobicContact CZ3-CE1 4.42Å; W57-F122 HydrophobicContact CZ3-CG 4.11Å; W57-I158 HydrophobicContact CD2-CD1 4.29Å; W57-I158 HydrophobicContact CG-CD1 4.17Å; W57-M160 HydrophobicContact CZ2-CE 3.93Å; W57-M160 HydrophobicContact CZ2-SD 3.9Å |
| 58 | A | 97.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y84 K86 | A58-Y84 PolarHBondContact N-O 2.89Å; A58-Y84 PolarHBondContact O-N 3.33Å; A58-K86 HydrophobicContact CB-CD 3.82Å; A58-K86 HydrophobicContact CB-CG 4.22Å |
| 59 | L | 97.4 | Very high | 84 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.3 | 174 | -62.8 | 166.3 | 0 | 0 | 0 | 110.2 | W24 V42 S43 F46 L81 H82 L83 V154 V156 | W24-L59 HydrophobicContact CB-CD1 4.15Å; W24-L59 HydrophobicContact CD2-CB 4.4Å; W24-L59 HydrophobicContact CD2-CD1 4.28Å; W24-L59 HydrophobicContact CE3-CB 3.61Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.28Å; W24-L59 HydrophobicContact CH2-CB 4.4Å; W24-L59 HydrophobicContact CZ3-CB 3.6Å; W24-L59 HydrophobicContact CZ3-CD1 4.42Å; V42-L59 CarbonylContact C-O 3.55Å; V42-L59 WeakPolarHBondContact CA-O 3.5Å; S43-L59 PolarHBondContact N-O 3.35Å; S43-L59 PolarHBondContact OG-N 3.49Å; F46-L59 HydrophobicContact CE1-CD1 4.37Å; F46-L59 HydrophobicContact CE1-CG 4Å; F46-L59 HydrophobicContact CZ-CG 4.38Å; L59-L81 HydrophobicContact CB-CD1 4.31Å; L59-L81 HydrophobicContact CD2-CD1 4.43Å; L59-H82 CarbonylContact C-O 3.6Å; L59-H82 VanDerWaalsContact CA-O 3.26Å; L59-H82 WeakPolarHBondContact CA-O 3.41Å; L59-L83 HydrophobicContact CD2-CB 4.34Å; L59-L83 HydrophobicContact CD2-CD1 3.71Å; L59-V154 HydrophobicContact CD1-CG1 4.46Å; L59-V156 HydrophobicContact CD1-CB 4.36Å; L59-V156 HydrophobicContact CD1-CG2 3.49Å; L59-V156 VanDerWaalsContact CD1-CG2 3.49Å; L59-V156 HydrophobicContact CD2-CG2 3.82Å; L59-V156 HydrophobicContact CG-CG2 4.3Å |
| 60 | R | 95.8 | Very high | 81.8 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.8 | 172.1 | 174.8 | -176.3 | 173.9 | -165.4 | -6.3 | 109.8 | L40 N41 V42 T62 L81 H82 Y84 | L40-R60 HydrophobicContact CD1-CG 4.23Å; L40-R60 VanDerWaalsContact CD1-NE 3.29Å; N41-R60 CarbonylContact O-C 3.59Å; N41-R60 WeakPolarHBondContact O-CA 3.26Å; V42-R60 HydrophobicContact CG2-CB 4.42Å; V42-R60 HydrophobicContact CG2-CG 4.16Å; R60-T62 HydrophobicContact CG-CG2 4.37Å; R60-T62 PolarHBondContact NH2-OG1 2.95Å; R60-T62 VanDerWaalsContact NH2-OG1 3.1Å; R60-L81 CarbonylContact O-C 3.48Å; R60-L81 WeakPolarHBondContact O-CA 3.3Å; R60-H82 HydrophobicContact CB-CB 4.28Å; R60-H82 PolarHBondContact N-O 2.66Å; R60-H82 PolarHBondContact O-N 3.46Å; R60-Y84 HydrophobicContact CB-CD2 4.12Å; R60-Y84 HydrophobicContact CB-CE2 3.65Å; R60-Y84 HydrophobicContact CG-CE2 4.37Å; R60-Y84 PolarHBondContact NH1-OH 2.91Å; R60-Y84 VanDerWaalsContact NH1-OH 3.12Å |
| 61 | L | 94.9 | Very high | 79.6 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.8 | 169.5 | -168.6 | 70.7 | 0 | 0 | 0 | 107.6 | W24 L26 L39 N41 V79 L80 L81 F140 V144 | W24-L61 HydrophobicContact CH2-CB 4.15Å; W24-L61 HydrophobicContact CZ3-CB 4.37Å; L26-L61 HydrophobicContact CD1-CD2 3.96Å; L39-L61 HydrophobicContact CD2-CB 4.07Å; L39-L61 HydrophobicContact CD2-CD2 3.91Å; L39-L61 HydrophobicContact CD2-CG 3.63Å; L39-L61 VanDerWaalsContact CD2-O 3.31Å; L39-L61 WeakPolarHBondContact CD2-O 3.26Å; N41-L61 HydrophobicContact CB-CB 4.37Å; N41-L61 PolarHBondContact N-O 2.92Å; N41-L61 PolarHBondContact O-N 3.2Å; L61-V79 HydrophobicContact CD1-CG1 3.52Å; L61-V79 HydrophobicContact CG-CG1 3.88Å; L61-L80 WeakPolarHBondContact CA-O 3.29Å; L61-L81 HydrophobicContact CD1-CB 4.13Å; L61-L81 HydrophobicContact CD1-CD1 4.33Å; L61-F140 HydrophobicContact CD1-CE1 4.3Å; L61-F140 HydrophobicContact CD1-CZ 3.97Å; L61-V144 HydrophobicContact CD2-CG1 3.88Å |
| 62 | T | 92.1 | Very high | 77.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.4 | -171.7 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | L39 R60 E64 V79 L80 | L39-T62 CarbonylContact O-C 3.54Å; L39-T62 VanDerWaalsContact O-CA 3.23Å; L39-T62 WeakPolarHBondContact O-CA 3.23Å; L39-T62 PolarHBondContact O-OG1 2.93Å; R60-T62 HydrophobicContact CG-CG2 4.37Å; R60-T62 PolarHBondContact NH2-OG1 2.95Å; R60-T62 VanDerWaalsContact NH2-OG1 3.1Å; T62-E64 HydrophobicContact CG2-CG 3.79Å; T62-V79 CarbonylContact O-C 3.59Å; T62-V79 WeakPolarHBondContact O-CA 3.44Å; T62-L80 PolarHBondContact N-O 2.87Å; T62-L80 PolarHBondContact O-N 3.34Å |
| 63 | D | 88.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130.2 | 163.6 | -71.7 | -26.2 | 0 | 0 | 0 | 109 | L39 V79 H145 | L39-D63 HydrophobicContact CB-CB 4.41Å; L39-D63 WeakPolarHBondContact CB-OD2 3.25Å; L39-D63 PolarHBondContact N-OD2 3.46Å; L39-D63 PolarHBondContact O-N 3.43Å; D63-V79 VanDerWaalsContact OD1-CG2 3.26Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.45Å; D63-H145 IonicContact OD1-CE1 2.79Å; D63-H145 IonicContact OD1-NE2 3.87Å; D63-H145 IonicContact OD2-CE1 2.72Å |
| 64 | E | 82.1 | Confident | 72.7 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.2 | 169.9 | -60.6 | -157.2 | 167.7 | 0 | 0 | 111.4 | T62 V66 R77 H78 L80 H82 | T62-E64 HydrophobicContact CG2-CG 3.79Å; E64-V66 PolarHBondContact O-N 3Å; E64-R77 WeakPolarHBondContact O-CA 3.27Å; E64-H78 PolarHBondContact N-O 2.93Å; E64-H78 PolarHBondContact O-N 3.49Å; E64-L80 HydrophobicContact CB-CD1 3.98Å; E64-L80 HydrophobicContact CG-CD1 3.87Å; E64-L80 HydrophobicContact CG-CG 4.47Å; E64-L80 VanDerWaalsContact OE2-CD1 3.3Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.43Å; E64-H82 IonicContact OE1-CE1 3.34Å; E64-H82 PolarHBondContact OE1-CE1 3.24Å; E64-H82 IonicContact OE1-NE2 2.81Å; E64-H82 PolarHBondContact OE1-NE2 3.27Å |
| 65 | Y | 69.8 | Low | 70.7 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 117.7 | 171.5 | -79.4 | -78.2 | 0 | 0 | 0 | 109.7 | E36 R77 | E36-Y65 VanDerWaalsContact CD-OH 3.27Å; E36-Y65 PolarHBondContact OE1-OH 3.17Å; E36-Y65 PolarHBondContact OE2-OH 3.01Å; Y65-R77 HydrophobicContact CD1-CG 3.79Å; Y65-R77 HydrophobicContact CE1-CG 3.7Å; Y65-R77 HydrophobicContact CE2-CG 4.5Å; Y65-R77 HydrophobicContact CG-CG 4.25Å; Y65-R77 PolarHBondContact OH-NE 2.87Å; Y65-R77 VanDerWaalsContact OH-NE 3.1Å; Y65-R77 PolarHBondContact OH-NH2 3.42Å |
| 66 | V | 58.8 | Low | 69.1 | Low | 69 Ų | 69 | 71 Ų | 71 | 42% | 0.418 | 41% | 0.409 | S | S | . | . | trans | -93.1 | 111.9 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | E64 S68 N76 | E64-V66 PolarHBondContact O-N 3Å; V66-S68 PolarHBondContact O-N 3.05Å; V66-N76 PolarHBondContact N-O 3.43Å | ||
| 67 | L | 49.9 | Very low | 68 | Low | 165 Ų | 165 | 72.8 Ų | 72.8 | 86% | 0.864 | 42% | 0.416 | S | S | * | . | trans | -63.1 | 102.9 | 172.6 | -69.3 | 170.7 | 0 | 0 | 0 | 108.9 | ||||
| 68 | S | 47.3 | Very low | 67.5 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | trans | -83.9 | 125.6 | 168.8 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | V66 N70 | V66-S68 PolarHBondContact O-N 3.05Å; S68-N70 PolarHBondContact O-N 3.38Å | ||
| 69 | N | 47.9 | Very low | 67.2 | Low | 167 Ų | 167 | 74.4 Ų | 74.4 | 89% | 0.893 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -61.5 | 4.5 | 176.4 | -83 | -4.6 | 0 | 0 | 0 | 115.3 | ||
| 70 | N | 47.4 | Very low | 67 | Low | 133 Ų | 133 | 75.8 Ų | 75.8 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -107.2 | 114 | 177.5 | -69.6 | -14.1 | 0 | 0 | 0 | 109.3 | S68 A72 | S68-N70 PolarHBondContact O-N 3.38Å; N70-A72 PolarHBondContact O-N 2.88Å |
| 71 | A | 44.6 | Very low | 67 | Low | 117 Ų | 117 | 72.5 Ų | 72.5 | 97% | 0.967 | 42% | 0.417 | S | S | * | . | trans | -74.8 | 39.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 72 | A | 42.3 | Very low | 67 | Low | 79 Ų | 79 | 72.7 Ų | 72.7 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -146.2 | 111.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N70 | N70-A72 PolarHBondContact O-N 2.88Š|
| 73 | V | 43.4 | Very low | 67.3 | Low | 121 Ų | 121 | 72.7 Ų | 72.7 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 79.6 | 129.5 | 152.2 | -166.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 74 | D | 42.5 | Very low | 67.7 | Low | 133 Ų | 133 | 74.8 Ų | 74.8 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 64.1 | 131 | 173 | -65.4 | -17.1 | 0 | 0 | 0 | 118.5 | N76 | D74-N76 VanDerWaalsContact C-N 3.35Å; D74-N76 PolarHBondContact O-N 2.91Å |
| 75 | S | 51.1 | Low | 68.4 | Low | 82 Ų | 82 | 71.6 Ų | 71.6 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | trans | -54.7 | 93.9 | 170 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | R77 | S75-R77 PolarHBondContact O-N 3.35Š| ||
| 76 | N | 63.3 | Low | 69.6 | Low | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | trans | -73.1 | 64.1 | 173.7 | -75.6 | -36.2 | 0 | 0 | 0 | 110 | V66 D74 | V66-N76 PolarHBondContact N-O 3.43Å; D74-N76 VanDerWaalsContact C-N 3.35Å; D74-N76 PolarHBondContact O-N 2.91Å | ||
| 77 | R | 73.9 | Confident | 71.3 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 17% | 0.166 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.6 | 169.9 | -70.7 | -178.3 | 178.1 | -170.8 | 0.3 | 108.1 | E36 T37 E64 Y65 S75 | E36-R77 IonicContact OE1-NH2 3.71Å; E36-R77 IonicContact OE2-CZ 2.68Å; E36-R77 IonicContact OE2-NH2 2.88Å; E36-R77 PolarHBondContact OE2-NH2 2.79Å; T37-R77 PolarHBondContact O-NH1 2.98Å; E64-R77 WeakPolarHBondContact O-CA 3.27Å; Y65-R77 HydrophobicContact CD1-CG 3.79Å; Y65-R77 HydrophobicContact CE1-CG 3.7Å; Y65-R77 HydrophobicContact CE2-CG 4.5Å; Y65-R77 HydrophobicContact CG-CG 4.25Å; Y65-R77 PolarHBondContact OH-NE 2.87Å; Y65-R77 VanDerWaalsContact OH-NE 3.1Å; Y65-R77 PolarHBondContact OH-NH2 3.42Å; S75-R77 PolarHBondContact O-N 3.35Å |
| 78 | H | 87.3 | Confident | 73.3 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 18% | 0.181 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.1 | 174.3 | -65.2 | -57 | 0 | 0 | 0 | 109.2 | E64 | E64-H78 PolarHBondContact N-O 2.93Å; E64-H78 PolarHBondContact O-N 3.49Å |
| 79 | V | 91 | Very high | 75.4 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.7 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | L39 L61 T62 D63 F140 T141 V144 | L39-V79 HydrophobicContact CD1-CG2 4.49Å; L61-V79 HydrophobicContact CD1-CG1 3.52Å; L61-V79 HydrophobicContact CG-CG1 3.88Å; T62-V79 CarbonylContact O-C 3.59Å; T62-V79 WeakPolarHBondContact O-CA 3.44Å; D63-V79 VanDerWaalsContact OD1-CG2 3.26Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.45Å; V79-F140 HydrophobicContact CB-CD1 4.23Å; V79-F140 HydrophobicContact CB-CE1 4.1Å; V79-F140 HydrophobicContact CG1-CD1 4.34Å; V79-F140 HydrophobicContact CG1-CE1 3.73Å; V79-F140 HydrophobicContact CG1-CZ 4.4Å; V79-F140 WeakPolarHBondContact O-CD1 3.37Å; V79-F140 WeakPolarHBondContact O-CE1 3.28Å; V79-T141 HydrophobicContact CG2-CG2 4.09Å; V79-T141 PolarHBondContact N-OG1 3.2Å; V79-T141 VanDerWaalsContact N-OG1 3.15Å; V79-V144 HydrophobicContact CG1-CB 4.2Å; V79-V144 HydrophobicContact CG1-CG1 4.05Å; V79-V144 HydrophobicContact CG1-CG2 4.16Å; V79-V144 HydrophobicContact CG2-CB 4.23Å; V79-V144 HydrophobicContact CG2-CG1 4.28Å |
| 80 | L | 92.9 | Very high | 77.5 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.6 | 176.1 | -62.4 | -178.5 | 0 | 0 | 0 | 110.5 | L61 T62 E64 H82 P129 | L61-L80 WeakPolarHBondContact CA-O 3.29Å; T62-L80 PolarHBondContact N-O 2.87Å; T62-L80 PolarHBondContact O-N 3.34Å; E64-L80 HydrophobicContact CB-CD1 3.98Å; E64-L80 HydrophobicContact CG-CD1 3.87Å; E64-L80 HydrophobicContact CG-CG 4.47Å; E64-L80 VanDerWaalsContact OE2-CD1 3.3Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.43Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.26Å; L80-P129 HydrophobicContact CD1-CB 4.26Å |
| 81 | L | 95.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.6 | 168.1 | 177.9 | 63.4 | 0 | 0 | 0 | 108.2 | W24 L59 R60 L61 A100 L115 I130 V154 | W24-L81 HydrophobicContact CZ3-CD1 4.01Å; L59-L81 HydrophobicContact CB-CD1 4.31Å; L59-L81 HydrophobicContact CD2-CD1 4.43Å; R60-L81 CarbonylContact O-C 3.48Å; R60-L81 WeakPolarHBondContact O-CA 3.3Å; L61-L81 HydrophobicContact CD1-CB 4.13Å; L61-L81 HydrophobicContact CD1-CD1 4.33Å; L81-A100 HydrophobicContact CD2-CB 3.81Å; L81-L115 HydrophobicContact CD2-CD1 4.35Å; L81-I130 HydrophobicContact CD2-CD1 3.9Å; L81-I130 HydrophobicContact CG-CD1 3.97Å; L81-I130 WeakPolarHBondContact O-CB 3.12Å; L81-I130 WeakPolarHBondContact O-CG1 3.22Å; L81-I130 PolarHBondContact O-N 3.34Å; L81-V154 HydrophobicContact CD2-CG1 3.8Å |
| 82 | H | 95.8 | Very high | 82 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 144.6 | 179.8 | -65.4 | 80.6 | 0 | 0 | 0 | 110.9 | L59 R60 E64 L80 Y84 W128 | L59-H82 CarbonylContact C-O 3.6Å; L59-H82 VanDerWaalsContact CA-O 3.26Å; L59-H82 WeakPolarHBondContact CA-O 3.41Å; R60-H82 HydrophobicContact CB-CB 4.28Å; R60-H82 PolarHBondContact N-O 2.66Å; R60-H82 PolarHBondContact O-N 3.46Å; E64-H82 IonicContact OE1-CE1 3.34Å; E64-H82 PolarHBondContact OE1-CE1 3.24Å; E64-H82 IonicContact OE1-NE2 2.81Å; E64-H82 PolarHBondContact OE1-NE2 3.27Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.26Å; H82-Y84 HydrophobicContact CB-CD2 4Å; H82-Y84 HydrophobicContact CB-CE2 3.51Å; H82-W128 VanDerWaalsContact CA-O 3.27Å; H82-W128 WeakPolarHBondContact CA-O 3.19Å |
| 83 | L | 97.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.5 | 163.8 | -178 | 67.9 | 0 | 0 | 0 | 108.7 | F46 W57 L59 V98 F122 G127 W128 I158 | F46-L83 HydrophobicContact CZ-CD1 3.96Å; W57-L83 HydrophobicContact CB-CD1 4.03Å; W57-L83 HydrophobicContact CE3-CD1 4.19Å; W57-L83 HydrophobicContact CE3-CD2 3.98Å; W57-L83 HydrophobicContact CE3-CG 3.94Å; W57-L83 HydrophobicContact CG-CD1 4.49Å; W57-L83 HydrophobicContact CZ3-CD2 4.21Å; W57-L83 HydrophobicContact CZ3-CG 4.5Å; L59-L83 HydrophobicContact CD2-CB 4.34Å; L59-L83 HydrophobicContact CD2-CD1 3.71Å; L83-V98 HydrophobicContact CD2-CG1 4.13Å; L83-V98 HydrophobicContact CD2-CG2 3.74Å; L83-F122 HydrophobicContact CB-CE1 4.16Å; L83-F122 HydrophobicContact CB-CZ 4.46Å; L83-F122 HydrophobicContact CD2-CE1 4.12Å; L83-F122 HydrophobicContact CD2-CZ 3.98Å; L83-F122 HydrophobicContact CG-CE1 4.15Å; L83-F122 HydrophobicContact CG-CZ 4.47Å; L83-F122 WeakPolarHBondContact O-CE1 3.42Å; L83-G127 CarbonylContact O-C 3.54Å; L83-G127 WeakPolarHBondContact O-CA 3.31Å; L83-W128 PolarHBondContact N-O 3.11Å; L83-W128 PolarHBondContact O-N 2.9Å; L83-I158 HydrophobicContact CD1-CD1 4.09Å; L83-I158 HydrophobicContact CD2-CD1 4.01Å; L83-I158 HydrophobicContact CD2-CG1 4.36Å |
| 84 | Y | 96.9 | Very high | 86.9 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.4 | 178.7 | -78.7 | -99.6 | 0 | 0 | 0 | 110.6 | W57 A58 R60 H82 S126 | W57-Y84 CarbonylContact C-O 3.49Å; W57-Y84 WeakPolarHBondContact CA-O 3.22Å; A58-Y84 PolarHBondContact N-O 2.89Å; A58-Y84 PolarHBondContact O-N 3.33Å; R60-Y84 HydrophobicContact CB-CD2 4.12Å; R60-Y84 HydrophobicContact CB-CE2 3.65Å; R60-Y84 HydrophobicContact CG-CE2 4.37Å; R60-Y84 PolarHBondContact NH1-OH 2.91Å; R60-Y84 VanDerWaalsContact NH1-OH 3.12Å; H82-Y84 HydrophobicContact CB-CD2 4Å; H82-Y84 HydrophobicContact CB-CE2 3.51Å; Y84-S126 WeakPolarHBondContact CA-O 3.36Å; Y84-S126 WeakPolarHBondContact CD1-O 3.09Å |
| 85 | Y | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 108.8 | 168.2 | 177.1 | -143.8 | 0 | 0 | 0 | 108.8 | F55 W57 E87 G88 C90 V93 F122 R124 G125 S126 | F55-Y85 HydrophobicContact CB-CE2 4.35Å; F55-Y85 AromaticContact CD1-CE2 3.86Å; F55-Y85 HydrophobicContact CD1-CE2 3.86Å; W57-Y85 HydrophobicContact CE3-CD2 4.35Å; W57-Y85 HydrophobicContact CH2-CD2 4.19Å; W57-Y85 HydrophobicContact CH2-CG 4.45Å; W57-Y85 HydrophobicContact CZ3-CD2 4.12Å; W57-Y85 HydrophobicContact CZ3-CG 4.16Å; Y85-E87 VanDerWaalsContact CE2-C 3.46Å; Y85-E87 WeakPolarHBondContact CE2-O 3.39Å; Y85-G88 WeakPolarHBondContact OH-CA 3.31Å; Y85-G88 PolarHBondContact OH-N 2.75Å; Y85-C90 PolarHBondContact OH-O 3.28Å; Y85-V93 HydrophobicContact CD1-CG1 3.67Å; Y85-V93 HydrophobicContact CD2-CG1 4.24Å; Y85-V93 HydrophobicContact CE1-CB 4.39Å; Y85-V93 HydrophobicContact CE1-CG1 3.68Å; Y85-V93 HydrophobicContact CE2-CG1 4.25Å; Y85-V93 HydrophobicContact CG-CG1 3.98Å; Y85-F122 HydrophobicContact CD1-CB 4.18Å; Y85-F122 HydrophobicContact CG-CB 4.28Å; Y85-R124 HydrophobicContact CD1-CB 4.06Å; Y85-R124 HydrophobicContact CE1-CB 3.88Å; Y85-R124 HydrophobicContact CE1-CG 4.37Å; Y85-G125 PolarHBondContact O-N 2.92Å; Y85-S126 PolarHBondContact N-O 2.91Å |
| 86 | K | 95.2 | Very high | 91.4 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -49.3 | -174.9 | -65.1 | -161.2 | 72.9 | 179.9 | 0 | 112.5 | P45 T56 A58 R124 | P45-K86 HydrophobicContact CB-CD 4.19Å; P45-K86 HydrophobicContact CG-CD 4Å; T56-K86 HydrophobicContact CG2-CB 4.13Å; T56-K86 PolarHBondContact O-N 3.42Å; A58-K86 HydrophobicContact CB-CD 3.82Å; A58-K86 HydrophobicContact CB-CG 4.22Å; K86-R124 VanDerWaalsContact O-CG 3.26Å; K86-R124 WeakPolarHBondContact O-CG 3.47Å |
| 87 | E | 93.4 | Very high | 92.9 | Very high | 100 Ų | 100 | 37.7 Ų | 37.7 | 47% | 0.467 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 146.5 | -166.9 | 178.4 | 178.7 | -152 | 0 | 0 | 109.6 | T56 Y85 R381 | T56-E87 PolarHBondContact N-O 3.19Å; T56-E87 PolarHBondContact O-N 3.45Å; Y85-E87 VanDerWaalsContact CE2-C 3.46Å; Y85-E87 WeakPolarHBondContact CE2-O 3.39Å; E87-R381 IonicContact OE2-CZ 2.78Å; E87-R381 IonicContact OE2-NH1 3.61Å; E87-R381 PolarHBondContact OE2-NH1 3.37Å |
| 88 | G | 92.6 | Very high | 94 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | trans | 175.3 | -172.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y85 C90 R124 | Y85-G88 WeakPolarHBondContact OH-CA 3.31Å; Y85-G88 PolarHBondContact OH-N 2.75Å; G88-C90 VanDerWaalsContact C-N 3.32Å; G88-C90 PolarHBondContact O-N 2.92Å; G88-R124 PolarHBondContact O-NH2 3.03Å | ||
| 89 | P | 91.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 16% | 0.156 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.8 | -26 | -172.1 | 25.3 | -35 | 0 | 0 | 0 | 114.3 | V53 Q54 F55 Y170 M324 | V53-P89 HydrophobicContact CG1-CG 3.99Å; Q54-P89 WeakPolarHBondContact O-CD 3.26Å; F55-P89 HydrophobicContact CE1-CG 3.79Å; F55-P89 HydrophobicContact CE2-CG 4.46Å; F55-P89 HydrophobicContact CZ-CG 3.76Å; P89-Y170 HydrophobicContact CB-CD1 3.63Å; P89-Y170 HydrophobicContact CB-CD2 3.63Å; P89-Y170 HydrophobicContact CB-CE1 3.68Å; P89-Y170 HydrophobicContact CB-CE2 3.69Å; P89-Y170 HydrophobicContact CB-CG 3.6Å; P89-Y170 HydrophobicContact CG-CD1 4.03Å; P89-Y170 HydrophobicContact CG-CD2 4.06Å; P89-Y170 HydrophobicContact CG-CE1 3.53Å; P89-Y170 HydrophobicContact CG-CE2 3.55Å; P89-Y170 HydrophobicContact CG-CG 4.28Å; P89-M324 HydrophobicContact CB-CE 3.94Å; P89-M324 HydrophobicContact CB-SD 3.68Å; P89-M324 HydrophobicContact CG-SD 4.09Å |
| 90 | C | 92.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -125.5 | 156.1 | -175.8 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | Y85 G88 E92 R124 Y170 | Y85-C90 PolarHBondContact OH-O 3.28Å; G88-C90 VanDerWaalsContact C-N 3.32Å; G88-C90 PolarHBondContact O-N 2.92Å; C90-E92 VanDerWaalsContact C-N 3.29Å; C90-E92 PolarHBondContact SG-O 3.08Å; C90-R124 PolarHBondContact O-NE 3Å; C90-R124 PolarHBondContact O-NH2 3.49Å; C90-Y170 HydrophobicContact CB-CD1 4.08Å; C90-Y170 HydrophobicContact CB-CE1 3.88Å |
| 91 | P | 92 | Very high | 94.8 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 58% | 0.578 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -68.9 | -30 | 175.8 | 27.4 | -34.1 | 0 | 0 | 0 | 112 | S123 R124 | P91-S123 CarbonylContact O-C 3.58Å; P91-S123 WeakPolarHBondContact O-CA 3.11Å; P91-R124 WeakPolarHBondContact O-CB 3.21Å; P91-R124 PolarHBondContact O-N 2.95Å |
| 92 | E | 94.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.1 | -176.6 | -68.7 | 170.9 | 166.3 | 0 | 0 | 110 | C90 E121 F122 | C90-E92 VanDerWaalsContact C-N 3.29Å; C90-E92 PolarHBondContact SG-O 3.08Å; E92-E121 HydrophobicContact CB-CG 4.31Å; E92-F122 WeakPolarHBondContact CA-O 3.04Å |
| 93 | V | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.9 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | F55 W57 Y85 F122 M160 L164 | F55-V93 HydrophobicContact CD1-CB 4.39Å; F55-V93 HydrophobicContact CD1-CG1 4.47Å; F55-V93 HydrophobicContact CD1-CG2 4.07Å; F55-V93 HydrophobicContact CE1-CB 4.06Å; F55-V93 HydrophobicContact CE1-CG2 3.62Å; F55-V93 HydrophobicContact CZ-CG2 4.22Å; W57-V93 HydrophobicContact CH2-CG1 3.81Å; Y85-V93 HydrophobicContact CD1-CG1 3.67Å; Y85-V93 HydrophobicContact CD2-CG1 4.24Å; Y85-V93 HydrophobicContact CE1-CB 4.39Å; Y85-V93 HydrophobicContact CE1-CG1 3.68Å; Y85-V93 HydrophobicContact CE2-CG1 4.25Å; Y85-V93 HydrophobicContact CG-CG1 3.98Å; V93-F122 HydrophobicContact CG1-CB 3.93Å; V93-F122 PolarHBondContact N-O 3.37Å; V93-F122 PolarHBondContact O-N 2.91Å; V93-M160 HydrophobicContact CG2-CE 3.77Å; V93-L164 HydrophobicContact CG2-CD1 3.96Å; V93-L164 HydrophobicContact CG2-CD2 4.28Å |
| 94 | A | 93.7 | Very high | 94.6 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | L164 | A94-L164 WeakPolarHBondContact O-CD1 3.46Å |
| 95 | V | 94.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.8 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | W57 V98 P119 T120 F122 I158 K159 | W57-V95 HydrophobicContact CH2-CG2 3.6Å; W57-V95 HydrophobicContact CZ2-CG2 4.34Å; W57-V95 HydrophobicContact CZ3-CG2 4.31Å; V95-V98 HydrophobicContact CG1-CG2 3.7Å; V95-P119 VanDerWaalsContact O-CA 3.28Å; V95-P119 WeakPolarHBondContact O-CA 3.46Å; V95-T120 PolarHBondContact N-O 3.45Å; V95-T120 PolarHBondContact O-N 2.84Å; V95-F122 HydrophobicContact CB-CD2 4.21Å; V95-F122 HydrophobicContact CB-CE2 4Å; V95-F122 HydrophobicContact CG2-CD2 3.75Å; V95-F122 HydrophobicContact CG2-CE2 3.9Å; V95-I158 HydrophobicContact CG1-CG2 3.76Å; V95-K159 WeakPolarHBondContact CG1-O 3.3Å |
| 96 | E | 94.6 | Very high | 93.9 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -71.6 | -42 | -175.2 | -68.8 | -63.6 | 141.5 | 0 | 0 | 111.8 | V17 P119 K159 K161 | V17-E96 HydrophobicContact CG2-CG 4.49Å; E96-P119 WeakPolarHBondContact O-CA 3.36Å; E96-P119 WeakPolarHBondContact O-CD 3.18Å; E96-P119 VanDerWaalsContact O-CG 3.29Å; E96-P119 WeakPolarHBondContact O-CG 3.46Å; E96-K159 HydrophobicContact CB-CB 4.44Å; E96-K159 PolarHBondContact N-O 3.46Å; E96-K161 HydrophobicContact CG-CG 3.98Å; E96-K161 WeakPolarHBondContact OE1-CD 3.46Å; E96-K161 WeakPolarHBondContact OE1-CE 3.3Å; E96-K161 IonicContact OE1-NZ 3.04Å; E96-K161 PolarHBondContact OE1-NZ 2.97Å |
| 97 | E | 95.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 142.5 | 178.6 | -170.1 | 177.4 | -147.1 | 0 | 0 | 110.4 | R99 L117 K159 | E97-R99 HydrophobicContact CG-CG 4.14Å; E97-R99 IonicContact OE1-CZ 3.98Å; E97-R99 IonicContact OE1-NE 3.69Å; E97-R99 PolarHBondContact OE1-NE 3.34Å; E97-R99 IonicContact OE1-NH2 3.86Å; E97-R99 PolarHBondContact OE1-NH2 3.22Å; E97-R99 IonicContact OE2-CZ 3.62Å; E97-R99 IonicContact OE2-NE 2.64Å; E97-R99 PolarHBondContact OE2-NE 3.14Å; E97-R99 IonicContact OE2-NH2 2.83Å; E97-R99 PolarHBondContact OE2-NH2 3.22Å; E97-L117 WeakPolarHBondContact CA-O 3.43Å; E97-K159 HydrophobicContact CB-CB 4.08Å; E97-K159 HydrophobicContact CB-CD 4.18Å; E97-K159 HydrophobicContact CB-CG 4.41Å; E97-K159 PolarHBondContact N-O 3.37Å; E97-K159 PolarHBondContact O-N 3.17Å; E97-K159 WeakPolarHBondContact OE2-CD 3.26Å; E97-K159 WeakPolarHBondContact OE2-CE 3.36Å; E97-K159 IonicContact OE2-NZ 3.74Å; E97-K159 PolarHBondContact OE2-NZ 2.95Å |
| 98 | V | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.1 | 164 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | L83 V95 A116 L117 I130 V156 E157 I158 | L83-V98 HydrophobicContact CD2-CG1 4.13Å; L83-V98 HydrophobicContact CD2-CG2 3.74Å; V95-V98 HydrophobicContact CG1-CG2 3.7Å; V98-A116 CarbonylContact O-C 3.5Å; V98-A116 WeakPolarHBondContact O-CA 3.24Å; V98-L117 HydrophobicContact CB-CB 3.98Å; V98-L117 HydrophobicContact CB-CD1 4.17Å; V98-L117 HydrophobicContact CB-CG 4.41Å; V98-L117 HydrophobicContact CG2-CB 4.29Å; V98-L117 HydrophobicContact CG2-CD1 4.19Å; V98-L117 PolarHBondContact N-O 3.4Å; V98-L117 PolarHBondContact O-N 3.45Å; V98-I130 HydrophobicContact CG1-CD1 4.01Å; V98-V156 HydrophobicContact CG1-CG1 3.65Å; V98-E157 CarbonylContact C-O 3.49Å; V98-E157 VanDerWaalsContact CA-O 3.3Å; V98-E157 WeakPolarHBondContact CA-O 3.37Å; V98-I158 HydrophobicContact CG1-CG1 4.49Å |
| 99 | R | 96.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 53.4 Ų | 53.4 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.1 | 170.6 | -64.8 | -177.8 | -179.8 | -171.4 | 3.6 | 109.8 | E97 L115 V156 E157 | E97-R99 HydrophobicContact CG-CG 4.14Å; E97-R99 IonicContact OE1-CZ 3.98Å; E97-R99 IonicContact OE1-NE 3.69Å; E97-R99 PolarHBondContact OE1-NE 3.34Å; E97-R99 IonicContact OE1-NH2 3.86Å; E97-R99 PolarHBondContact OE1-NH2 3.22Å; E97-R99 IonicContact OE2-CZ 3.62Å; E97-R99 IonicContact OE2-NE 2.64Å; E97-R99 PolarHBondContact OE2-NE 3.14Å; E97-R99 IonicContact OE2-NH2 2.83Å; E97-R99 PolarHBondContact OE2-NH2 3.22Å; R99-L115 WeakPolarHBondContact CA-O 3.4Å; R99-V156 CarbonylContact O-C 3.58Å; R99-V156 WeakPolarHBondContact O-CA 3.29Å; R99-E157 HydrophobicContact CB-CB 4.38Å; R99-E157 PolarHBondContact N-O 2.98Å; R99-E157 PolarHBondContact O-N 3.49Å |
| 100 | A | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L81 L115 I130 V155 V156 | L81-A100 HydrophobicContact CD2-CB 3.81Å; A100-L115 HydrophobicContact CB-CB 3.77Å; A100-L115 HydrophobicContact CB-CD1 3.96Å; A100-L115 HydrophobicContact CB-CG 4.49Å; A100-L115 PolarHBondContact N-O 3.02Å; A100-L115 WeakPolarHBondContact O-CB 3.23Å; A100-I130 HydrophobicContact CB-CD1 4.06Å; A100-V155 VanDerWaalsContact CA-O 3.3Å; A100-V155 WeakPolarHBondContact CA-O 3.25Å; A100-V156 HydrophobicContact CB-CG2 4Å |
| 101 | Q | 96 | Very high | 93.9 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.9 | 172.8 | 61.1 | -175.1 | 9.3 | 0 | 0 | 110.1 | L103 F112 V154 V155 | Q101-L103 HydrophobicContact CG-CD2 4.12Å; Q101-L103 HydrophobicContact CG-CG 4.3Å; Q101-F112 WeakPolarHBondContact CA-O 3.25Å; Q101-V154 WeakPolarHBondContact O-CA 3.31Å; Q101-V155 HydrophobicContact CG-CB 3.9Å; Q101-V155 PolarHBondContact N-O 2.9Å; Q101-V155 PolarHBondContact O-N 3.18Å |
| 102 | I | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.6 | 175.4 | -46.4 | -61.6 | 0 | 0 | 0 | 107.6 | L111 F112 L115 F140 L152 L153 V154 | I102-L111 HydrophobicContact CG2-CB 4.38Å; I102-L111 HydrophobicContact CG2-CD1 4.5Å; I102-L111 PolarHBondContact O-N 2.82Å; I102-F112 HydrophobicContact CB-CB 3.98Å; I102-F112 HydrophobicContact CG1-CB 3.93Å; I102-F112 PolarHBondContact N-O 3.29Å; I102-F112 PolarHBondContact O-N 2.94Å; I102-F112 VanDerWaalsContact O-N 3.08Å; I102-L115 HydrophobicContact CD1-CD1 4.35Å; I102-L115 HydrophobicContact CG1-CD1 4.35Å; I102-F140 HydrophobicContact CD1-CE2 4.17Å; I102-F140 HydrophobicContact CG1-CE2 3.87Å; I102-L152 HydrophobicContact CG2-CB 4.37Å; I102-L152 HydrophobicContact CG2-CD1 4.18Å; I102-L152 HydrophobicContact CG2-CD2 4.09Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; I102-L153 CarbonylContact C-O 3.57Å; I102-L153 WeakPolarHBondContact CA-O 3.01Å; I102-V154 HydrophobicContact CD1-CB 4.3Å; I102-V154 HydrophobicContact CD1-CG1 4.15Å; I102-V154 HydrophobicContact CD1-CG2 3.7Å |
| 103 | L | 95.1 | Very high | 94 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.7 | -180 | -51.2 | -179 | 0 | 0 | 0 | 110 | Q101 N108 E109 T110 L153 V155 | Q101-L103 HydrophobicContact CG-CD2 4.12Å; Q101-L103 HydrophobicContact CG-CG 4.3Å; L103-N108 WeakPolarHBondContact CD1-OD1 3.32Å; L103-E109 CarbonylContact C-O 3.56Å; L103-E109 VanDerWaalsContact CA-O 3.27Å; L103-E109 WeakPolarHBondContact CA-O 3.48Å; L103-T110 HydrophobicContact CD2-CG2 4.28Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.11Å; L103-L153 HydrophobicContact CB-CB 4.21Å; L103-L153 HydrophobicContact CB-CD2 4.26Å; L103-L153 HydrophobicContact CB-CG 4.35Å; L103-L153 HydrophobicContact CD1-CD2 4.2Å; L103-L153 PolarHBondContact N-O 3.07Å; L103-L153 PolarHBondContact O-N 3.02Å; L103-V155 HydrophobicContact CD1-CG2 3.72Å; L103-V155 HydrophobicContact CG-CG2 4.34Å |
| 104 | D | 92.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | trans | -70.2 | 127.7 | 164 | -172.3 | -77.4 | 0 | 0 | 0 | 109 | V106 T107 N108 E109 L111 | D104-V106 PolarHBondContact O-N 3.41Å; D104-V106 WeakPolarHBondContact OD1-CA 3.35Å; D104-V106 WeakPolarHBondContact OD1-CB 3.36Å; D104-V106 PolarHBondContact OD1-N 3.5Å; D104-T107 WeakPolarHBondContact CB-OG1 3.5Å; D104-T107 PolarHBondContact OD1-N 2.88Å; D104-N108 WeakPolarHBondContact O-CA 3.35Å; D104-N108 PolarHBondContact O-N 3.07Å; D104-E109 PolarHBondContact N-O 3.48Å; D104-L111 HydrophobicContact CB-CD1 4.1Å; D104-L111 HydrophobicContact CB-CD2 4.28Å; D104-L111 HydrophobicContact CB-CG 4.19Å | ||
| 105 | P | 90.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.2 | -174.7 | 28.1 | -35.4 | 0 | 0 | 0 | 113.9 | N151 L153 | P105-N151 HydrophobicContact CG-CB 3.87Å; P105-L153 HydrophobicContact CB-CB 4.31Å |
| 106 | V | 90.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 51.9 Ų | 51.9 | 80% | 0.8 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -50.6 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | D104 | D104-V106 PolarHBondContact O-N 3.41Å; D104-V106 WeakPolarHBondContact OD1-CA 3.35Å; D104-V106 WeakPolarHBondContact OD1-CB 3.36Å; D104-V106 PolarHBondContact OD1-N 3.5Å |
| 107 | T | 91.7 | Very high | 93.7 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.7 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | D104 E109 | D104-T107 WeakPolarHBondContact CB-OG1 3.5Å; D104-T107 PolarHBondContact OD1-N 2.88Å; T107-E109 PolarHBondContact O-N 2.9Å; T107-E109 VanDerWaalsContact O-N 3.16Å; T107-E109 WeakPolarHBondContact OG1-CB 3.35Å; T107-E109 WeakPolarHBondContact OG1-CG 3.45Å; T107-E109 PolarHBondContact OG1-N 3.15Å; T107-E109 PolarHBondContact OG1-OE2 3.21Å |
| 108 | N | 90.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | trans | 58.7 | 16.7 | -171.9 | -152.1 | 46.2 | 0 | 0 | 0 | 113.4 | L103 D104 | L103-N108 WeakPolarHBondContact CD1-OD1 3.32Å; D104-N108 WeakPolarHBondContact O-CA 3.35Å; D104-N108 PolarHBondContact O-N 3.07Å | ||
| 109 | E | 93.8 | Very high | 92.7 | Very high | 131 Ų | 131 | 56.3 Ų | 56.3 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | trans | -74 | 143.2 | 175.5 | -70.8 | 179 | 154.4 | 0 | 0 | 110.4 | L103 D104 T107 L111 | L103-E109 CarbonylContact C-O 3.56Å; L103-E109 VanDerWaalsContact CA-O 3.27Å; L103-E109 WeakPolarHBondContact CA-O 3.48Å; D104-E109 PolarHBondContact N-O 3.48Å; T107-E109 PolarHBondContact O-N 2.9Å; T107-E109 VanDerWaalsContact O-N 3.16Å; T107-E109 WeakPolarHBondContact OG1-CB 3.35Å; T107-E109 WeakPolarHBondContact OG1-CG 3.45Å; T107-E109 PolarHBondContact OG1-N 3.15Å; T107-E109 PolarHBondContact OG1-OE2 3.21Å; E109-L111 PolarHBondContact O-N 3.44Å | ||
| 110 | T | 95.1 | Very high | 92.4 | Very high | 84 Ų | 84 | 52 Ų | 52 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 114 | 178.4 | -56 | 0 | 0 | 0 | 0 | 110.7 | L103 A113 | L103-T110 HydrophobicContact CD2-CG2 4.28Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.11Å; T110-A113 HydrophobicContact CG2-CB 3.92Å |
| 111 | L | 93.8 | Very high | 92.2 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -34.3 | 174.4 | -60.8 | 177.9 | 0 | 0 | 0 | 111.6 | I102 D104 E109 L143 L152 | I102-L111 HydrophobicContact CG2-CB 4.38Å; I102-L111 HydrophobicContact CG2-CD1 4.5Å; I102-L111 PolarHBondContact O-N 2.82Å; D104-L111 HydrophobicContact CB-CD1 4.1Å; D104-L111 HydrophobicContact CB-CD2 4.28Å; D104-L111 HydrophobicContact CB-CG 4.19Å; E109-L111 PolarHBondContact O-N 3.44Å; L111-L143 HydrophobicContact CB-CD1 4.49Å; L111-L143 HydrophobicContact CB-CD2 4.2Å; L111-L152 HydrophobicContact CD1-CD2 3.78Å |
| 112 | F | 95.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 144.2 | 176.2 | -165.7 | -93.2 | 0 | 0 | 0 | 110.9 | Q101 I102 L115 M132 R136 E139 F140 L143 | Q101-F112 WeakPolarHBondContact CA-O 3.25Å; I102-F112 HydrophobicContact CB-CB 3.98Å; I102-F112 HydrophobicContact CG1-CB 3.93Å; I102-F112 PolarHBondContact N-O 3.29Å; I102-F112 PolarHBondContact O-N 2.94Å; I102-F112 VanDerWaalsContact O-N 3.08Å; F112-L115 HydrophobicContact CD1-CD1 3.96Å; F112-L115 HydrophobicContact CD1-CG 4.12Å; F112-L115 HydrophobicContact CE1-CD1 4.27Å; F112-L115 HydrophobicContact CE1-CD2 4.33Å; F112-L115 HydrophobicContact CE1-CG 3.93Å; F112-M132 HydrophobicContact CE1-SD 4.19Å; F112-M132 HydrophobicContact CZ-SD 3.94Å; F112-R136 HydrophobicContact CE2-CB 4.47Å; F112-R136 VanDerWaalsContact CE2-NH2 3.3Å; F112-R136 HydrophobicContact CZ-CB 4.16Å; F112-E139 HydrophobicContact CE2-CB 4.43Å; F112-E139 HydrophobicContact CE2-CG 4.2Å; F112-F140 HydrophobicContact CB-CD2 4.46Å; F112-F140 AromaticContact CD1-CD2 3.58Å; F112-F140 HydrophobicContact CD1-CD2 3.58Å; F112-F140 HydrophobicContact CD1-CE2 4.13Å; F112-F140 HydrophobicContact CD1-CG 4.45Å; F112-F140 HydrophobicContact CD2-CB 4.31Å; F112-F140 HydrophobicContact CD2-CD2 4.14Å; F112-F140 HydrophobicContact CE1-CB 4.13Å; F112-F140 AromaticContact CE1-CD2 3.73Å; F112-F140 HydrophobicContact CE1-CD2 3.73Å; F112-F140 HydrophobicContact CE1-CE2 4.49Å; F112-F140 HydrophobicContact CE1-CG 4.17Å; F112-F140 HydrophobicContact CE2-CB 3.74Å; F112-F140 HydrophobicContact CE2-CD2 4.27Å; F112-F140 HydrophobicContact CE2-CG 4.48Å; F112-F140 AromaticContact CG-CD2 3.81Å; F112-F140 HydrophobicContact CG-CD2 3.81Å; F112-F140 HydrophobicContact CZ-CB 3.64Å; F112-F140 HydrophobicContact CZ-CD2 4.09Å; F112-F140 HydrophobicContact CZ-CG 4.19Å; F112-L143 HydrophobicContact CB-CD2 3.62Å; F112-L143 HydrophobicContact CD2-CD2 4.35Å; F112-L143 HydrophobicContact CG-CD2 4.32Å |
| 113 | A | 92.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T110 R136 | T110-A113 HydrophobicContact CG2-CB 3.92Å; A113-R136 PolarHBondContact O-NH1 2.95Å |
| 114 | G | 89.6 | Confident | 92.1 | Very high | 49 Ų | 49 | 61 Ų | 61 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.4 | 19 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 115 | L | 94.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.6 | 165.5 | -66.9 | 150.7 | 0 | 0 | 0 | 107.8 | L81 R99 A100 I102 F112 I130 H131 M132 F140 | L81-L115 HydrophobicContact CD2-CD1 4.35Å; R99-L115 WeakPolarHBondContact CA-O 3.4Å; A100-L115 HydrophobicContact CB-CB 3.77Å; A100-L115 HydrophobicContact CB-CD1 3.96Å; A100-L115 HydrophobicContact CB-CG 4.49Å; A100-L115 PolarHBondContact N-O 3.02Å; A100-L115 WeakPolarHBondContact O-CB 3.23Å; I102-L115 HydrophobicContact CD1-CD1 4.35Å; I102-L115 HydrophobicContact CG1-CD1 4.35Å; F112-L115 HydrophobicContact CD1-CD1 3.96Å; F112-L115 HydrophobicContact CD1-CG 4.12Å; F112-L115 HydrophobicContact CE1-CD1 4.27Å; F112-L115 HydrophobicContact CE1-CD2 4.33Å; F112-L115 HydrophobicContact CE1-CG 3.93Å; L115-I130 HydrophobicContact CB-CG2 3.72Å; L115-I130 HydrophobicContact CD2-CG2 4.48Å; L115-H131 CarbonylContact C-O 3.55Å; L115-H131 WeakPolarHBondContact CA-O 3.43Å; L115-M132 HydrophobicContact CD2-CB 4.41Å; L115-M132 HydrophobicContact CD2-CE 3.41Å; L115-M132 VanDerWaalsContact CD2-CE 3.41Å; L115-M132 HydrophobicContact CD2-SD 4.48Å; L115-F140 HydrophobicContact CD1-CE2 4.26Å |
| 116 | A | 94.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 148.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | V98 H131 | V98-A116 CarbonylContact O-C 3.5Å; V98-A116 WeakPolarHBondContact O-CA 3.24Å; A116-H131 PolarHBondContact N-O 3.09Å; A116-H131 WeakPolarHBondContact O-CA 3.33Å; A116-H131 WeakPolarHBondContact O-CB 3.49Å; A116-H131 PolarHBondContact O-N 3.19Å |
| 117 | L | 92.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.8 | 160.7 | -69 | 168.2 | 0 | 0 | 0 | 108 | E97 V98 F122 W128 P129 I130 | E97-L117 WeakPolarHBondContact CA-O 3.43Å; V98-L117 HydrophobicContact CB-CB 3.98Å; V98-L117 HydrophobicContact CB-CD1 4.17Å; V98-L117 HydrophobicContact CB-CG 4.41Å; V98-L117 HydrophobicContact CG2-CB 4.29Å; V98-L117 HydrophobicContact CG2-CD1 4.19Å; V98-L117 PolarHBondContact N-O 3.4Å; V98-L117 PolarHBondContact O-N 3.45Å; L117-F122 HydrophobicContact CD1-CZ 3.98Å; L117-W128 HydrophobicContact CD1-CB 4.4Å; L117-P129 VanDerWaalsContact CD2-O 3.24Å; L117-P129 WeakPolarHBondContact CD2-O 3.35Å; L117-I130 HydrophobicContact CD1-CB 4.44Å; L117-I130 HydrophobicContact CD1-CG1 3.86Å; L117-I130 HydrophobicContact CG-CB 4.28Å; L117-I130 HydrophobicContact CG-CG1 4.22Å; L117-I130 HydrophobicContact CG-CG2 4.21Å |
| 118 | S | 86.3 | Confident | 92.3 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | trans | -68.2 | 172.4 | 165.5 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | T120 | S118-T120 PolarHBondContact O-N 3.42Å; S118-T120 PolarHBondContact O-OG1 3.36Å | ||
| 119 | P | 84.8 | Confident | 92.4 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -46.1 | 119.3 | -178.8 | -29.9 | 33.8 | 0 | 0 | 0 | 111.9 | V95 E96 | V95-P119 VanDerWaalsContact O-CA 3.28Å; V95-P119 WeakPolarHBondContact O-CA 3.46Å; E96-P119 WeakPolarHBondContact O-CA 3.36Å; E96-P119 WeakPolarHBondContact O-CD 3.18Å; E96-P119 VanDerWaalsContact O-CG 3.29Å; E96-P119 WeakPolarHBondContact O-CG 3.46Å |
| 120 | T | 88.8 | Confident | 92.4 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.7 | -172.5 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | V95 S118 F122 W128 | V95-T120 PolarHBondContact N-O 3.45Å; V95-T120 PolarHBondContact O-N 2.84Å; S118-T120 PolarHBondContact O-N 3.42Å; S118-T120 PolarHBondContact O-OG1 3.36Å; T120-F122 HydrophobicContact CG2-CD2 4.38Å; T120-F122 HydrophobicContact CG2-CE2 4.07Å; T120-W128 HydrophobicContact CG2-CD2 3.87Å; T120-W128 HydrophobicContact CG2-CE3 4.07Å; T120-W128 HydrophobicContact CG2-CG 4.19Å |
| 121 | E | 93.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.1 | 174.2 | -174.5 | 166.3 | -152.5 | 0 | 0 | 110.7 | E92 W128 | E92-E121 HydrophobicContact CB-CG 4.31Å; E121-W128 WeakPolarHBondContact O-CZ2 3.45Å; E121-W128 PolarHBondContact O-NE1 2.61Å |
| 122 | F | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.1 | 178.8 | -72.9 | -108.4 | 0 | 0 | 0 | 109.9 | W57 L83 Y85 E92 V93 V95 L117 T120 W128 | W57-F122 HydrophobicContact CZ3-CB 4.48Å; W57-F122 HydrophobicContact CZ3-CD1 4.03Å; W57-F122 HydrophobicContact CZ3-CE1 4.42Å; W57-F122 HydrophobicContact CZ3-CG 4.11Å; L83-F122 HydrophobicContact CB-CE1 4.16Å; L83-F122 HydrophobicContact CB-CZ 4.46Å; L83-F122 HydrophobicContact CD2-CE1 4.12Å; L83-F122 HydrophobicContact CD2-CZ 3.98Å; L83-F122 HydrophobicContact CG-CE1 4.15Å; L83-F122 HydrophobicContact CG-CZ 4.47Å; L83-F122 WeakPolarHBondContact O-CE1 3.42Å; Y85-F122 HydrophobicContact CD1-CB 4.18Å; Y85-F122 HydrophobicContact CG-CB 4.28Å; E92-F122 WeakPolarHBondContact CA-O 3.04Å; V93-F122 HydrophobicContact CG1-CB 3.93Å; V93-F122 PolarHBondContact N-O 3.37Å; V93-F122 PolarHBondContact O-N 2.91Å; V95-F122 HydrophobicContact CB-CD2 4.21Å; V95-F122 HydrophobicContact CB-CE2 4Å; V95-F122 HydrophobicContact CG2-CD2 3.75Å; V95-F122 HydrophobicContact CG2-CE2 3.9Å; L117-F122 HydrophobicContact CD1-CZ 3.98Å; T120-F122 HydrophobicContact CG2-CD2 4.38Å; T120-F122 HydrophobicContact CG2-CE2 4.07Å; F122-W128 AromaticContact CD1-CD1 3.3Å; F122-W128 HydrophobicContact CD1-CG 4.2Å; F122-W128 HydrophobicContact CE1-CB 3.78Å; F122-W128 AromaticContact CE1-CD1 3.42Å; F122-W128 VanDerWaalsContact CE1-CD1 3.42Å; F122-W128 AromaticContact CE1-CG 3.89Å; F122-W128 HydrophobicContact CE1-CG 3.89Å; F122-W128 AromaticContact CG-CD1 3.83Å; F122-W128 HydrophobicContact CZ-CB 3.98Å; F122-W128 HydrophobicContact CZ-CG 4.2Å |
| 123 | S | 95.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.3 | 166.6 | -45.9 | 0 | 0 | 0 | 0 | 110.4 | P91 G125 S126 | P91-S123 CarbonylContact O-C 3.58Å; P91-S123 WeakPolarHBondContact O-CA 3.11Å; S123-G125 PolarHBondContact O-N 2.79Å; S123-S126 PolarHBondContact N-OG 3.39Å; S123-S126 VanDerWaalsContact O-CB 3.25Å; S123-S126 WeakPolarHBondContact O-CB 3.41Å; S123-S126 PolarHBondContact O-N 3.4Å; S123-S126 PolarHBondContact O-OG 3.13Å |
| 124 | R | 94.9 | Very high | 91.2 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131.5 | 179.8 | -169.2 | -173.9 | -60.4 | 176 | 2.2 | 110.6 | Y85 K86 G88 C90 P91 S126 | Y85-R124 HydrophobicContact CD1-CB 4.06Å; Y85-R124 HydrophobicContact CE1-CB 3.88Å; Y85-R124 HydrophobicContact CE1-CG 4.37Å; K86-R124 VanDerWaalsContact O-CG 3.26Å; K86-R124 WeakPolarHBondContact O-CG 3.47Å; G88-R124 PolarHBondContact O-NH2 3.03Å; C90-R124 PolarHBondContact O-NE 3Å; C90-R124 PolarHBondContact O-NH2 3.49Å; P91-R124 WeakPolarHBondContact O-CB 3.21Å; P91-R124 PolarHBondContact O-N 2.95Å; R124-S126 VanDerWaalsContact C-N 3.28Å |
| 125 | G | 92.9 | Very high | 91.1 | Very high | 61 Ų | 61 | 64.1 Ų | 64.1 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -7.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y85 S123 | Y85-G125 PolarHBondContact O-N 2.92Å; S123-G125 PolarHBondContact O-N 2.79Å |
| 126 | S | 91.4 | Very high | 90.8 | Very high | 35 Ų | 35 | 67 Ų | 67 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | trans | -93 | 159.8 | 177.1 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | Y84 Y85 S123 R124 | Y84-S126 WeakPolarHBondContact CA-O 3.36Å; Y84-S126 WeakPolarHBondContact CD1-O 3.09Å; Y85-S126 PolarHBondContact N-O 2.91Å; S123-S126 PolarHBondContact N-OG 3.39Å; S123-S126 VanDerWaalsContact O-CB 3.25Å; S123-S126 WeakPolarHBondContact O-CB 3.41Å; S123-S126 PolarHBondContact O-N 3.4Å; S123-S126 PolarHBondContact O-OG 3.13Å; R124-S126 VanDerWaalsContact C-N 3.28Å | ||
| 127 | G | 91.6 | Very high | 90.5 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L83 | L83-G127 CarbonylContact O-C 3.54Å; L83-G127 WeakPolarHBondContact O-CA 3.31Å |
| 128 | W | 93.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 72.1 Ų | 72.1 | 38% | 0.375 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.7 | -173.9 | -68.6 | 82.6 | 0 | 0 | 0 | 110.5 | H82 L83 L117 T120 E121 F122 I130 | H82-W128 VanDerWaalsContact CA-O 3.27Å; H82-W128 WeakPolarHBondContact CA-O 3.19Å; L83-W128 PolarHBondContact N-O 3.11Å; L83-W128 PolarHBondContact O-N 2.9Å; L117-W128 HydrophobicContact CD1-CB 4.4Å; T120-W128 HydrophobicContact CG2-CD2 3.87Å; T120-W128 HydrophobicContact CG2-CE3 4.07Å; T120-W128 HydrophobicContact CG2-CG 4.19Å; E121-W128 WeakPolarHBondContact O-CZ2 3.45Å; E121-W128 PolarHBondContact O-NE1 2.61Å; F122-W128 AromaticContact CD1-CD1 3.3Å; F122-W128 HydrophobicContact CD1-CG 4.2Å; F122-W128 HydrophobicContact CE1-CB 3.78Å; F122-W128 AromaticContact CE1-CD1 3.42Å; F122-W128 VanDerWaalsContact CE1-CD1 3.42Å; F122-W128 AromaticContact CE1-CG 3.89Å; F122-W128 HydrophobicContact CE1-CG 3.89Å; F122-W128 AromaticContact CG-CD1 3.83Å; F122-W128 HydrophobicContact CZ-CB 3.98Å; F122-W128 HydrophobicContact CZ-CG 4.2Å; W128-I130 PolarHBondContact O-N 2.86Å |
| 129 | P | 93 | Very high | 90.6 | Very high | 34 Ų | 34 | 72.1 Ų | 72.1 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122 | 179.4 | 27.3 | -31.9 | 0 | 0 | 0 | 110.4 | L80 L117 H131 | L80-P129 HydrophobicContact CD1-CB 4.26Å; L117-P129 VanDerWaalsContact CD2-O 3.24Å; L117-P129 WeakPolarHBondContact CD2-O 3.35Å; P129-H131 PolarHBondContact O-CE1 2.98Å; P129-H131 PolarHBondContact O-N 3.36Å; P129-H131 PolarHBondContact O-ND1 3.32Å |
| 130 | I | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 118.6 | 174.2 | -52.1 | 179.9 | 0 | 0 | 0 | 108.8 | L81 V98 A100 L115 L117 W128 | L81-I130 HydrophobicContact CD2-CD1 3.9Å; L81-I130 HydrophobicContact CG-CD1 3.97Å; L81-I130 WeakPolarHBondContact O-CB 3.12Å; L81-I130 WeakPolarHBondContact O-CG1 3.22Å; L81-I130 PolarHBondContact O-N 3.34Å; V98-I130 HydrophobicContact CG1-CD1 4.01Å; A100-I130 HydrophobicContact CB-CD1 4.06Å; L115-I130 HydrophobicContact CB-CG2 3.72Å; L115-I130 HydrophobicContact CD2-CG2 4.48Å; L117-I130 HydrophobicContact CD1-CB 4.44Å; L117-I130 HydrophobicContact CD1-CG1 3.86Å; L117-I130 HydrophobicContact CG-CB 4.28Å; L117-I130 HydrophobicContact CG-CG1 4.22Å; L117-I130 HydrophobicContact CG-CG2 4.21Å; W128-I130 PolarHBondContact O-N 2.86Å |
| 131 | H | 90.3 | Very high | 91.1 | Very high | 108 Ų | 108 | 66.8 Ų | 66.8 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 155.2 | -170.6 | -61.8 | -49.3 | 0 | 0 | 0 | 112 | L115 A116 P129 | L115-H131 CarbonylContact C-O 3.55Å; L115-H131 WeakPolarHBondContact CA-O 3.43Å; A116-H131 PolarHBondContact N-O 3.09Å; A116-H131 WeakPolarHBondContact O-CA 3.33Å; A116-H131 WeakPolarHBondContact O-CB 3.49Å; A116-H131 PolarHBondContact O-N 3.19Å; P129-H131 PolarHBondContact O-CE1 2.98Å; P129-H131 PolarHBondContact O-N 3.36Å; P129-H131 PolarHBondContact O-ND1 3.32Å |
| 132 | M | 90.3 | Very high | 91 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | trans | -143.4 | 161.1 | 170 | 68.7 | -168.1 | 83.6 | 0 | 0 | 108.6 | F112 L115 R137 F140 | F112-M132 HydrophobicContact CE1-SD 4.19Å; F112-M132 HydrophobicContact CZ-SD 3.94Å; L115-M132 HydrophobicContact CD2-CB 4.41Å; L115-M132 HydrophobicContact CD2-CE 3.41Å; L115-M132 VanDerWaalsContact CD2-CE 3.41Å; L115-M132 HydrophobicContact CD2-SD 4.48Å; M132-R137 HydrophobicContact CG-CG 3.72Å; M132-R137 HydrophobicContact SD-CB 4.43Å; M132-R137 HydrophobicContact SD-CG 4.08Å; M132-F140 HydrophobicContact CE-CB 4.18Å; M132-F140 HydrophobicContact CE-CD1 3.41Å; M132-F140 VanDerWaalsContact CE-CD1 3.41Å; M132-F140 HydrophobicContact CE-CE1 3.85Å; M132-F140 HydrophobicContact CE-CG 3.82Å; M132-F140 HydrophobicContact SD-CB 3.6Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.92Å | ||
| 133 | E | 87.9 | Confident | 91 | Very high | 131 Ų | 131 | 68.3 Ų | 68.3 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | trans | -54.5 | 142.4 | 174.1 | -66 | 177.5 | 172.6 | 0 | 0 | 111.1 | E135 R136 R137 | E133-E135 PolarHBondContact O-N 3.15Å; E133-R136 HydrophobicContact CB-CG 4.24Å; E133-R136 PolarHBondContact O-N 2.98Å; E133-R137 PolarHBondContact O-N 3.5Å | ||
| 134 | K | 84.4 | Confident | 90.8 | Very high | 146 Ų | 146 | 66 Ų | 66 | 64% | 0.635 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -60.6 | -36.6 | -172 | -175.9 | 177.6 | 177 | -175.4 | 0 | 111.7 | R136 R137 | K134-R136 PolarHBondContact O-N 3.15Å; K134-R137 PolarHBondContact O-N 3.01Å |
| 135 | E | 86.3 | Confident | 90.7 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 71% | 0.71 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.3 | -27.7 | -179.6 | -61.3 | 68.3 | -147.6 | 0 | 0 | 111.6 | E133 | E133-E135 PolarHBondContact O-N 3.15Š|
| 136 | R | 89.1 | Confident | 90.6 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -96.2 | -5.7 | -175.7 | -58.1 | -165 | 65.9 | -148.4 | -5.5 | 114.2 | F112 A113 E133 K134 A138 E139 F140 | F112-R136 HydrophobicContact CE2-CB 4.47Å; F112-R136 VanDerWaalsContact CE2-NH2 3.3Å; F112-R136 HydrophobicContact CZ-CB 4.16Å; A113-R136 PolarHBondContact O-NH1 2.95Å; E133-R136 HydrophobicContact CB-CG 4.24Å; E133-R136 PolarHBondContact O-N 2.98Å; K134-R136 PolarHBondContact O-N 3.15Å; R136-A138 PolarHBondContact O-N 2.97Å; R136-E139 IonicContact CZ-OE2 3.66Å; R136-E139 IonicContact NE-OE2 3.02Å; R136-E139 PolarHBondContact NE-OE2 3.07Å; R136-E139 IonicContact NH2-OE1 3.46Å; R136-E139 PolarHBondContact NH2-OE1 2.95Å; R136-E139 IonicContact NH2-OE2 3.4Å; R136-E139 PolarHBondContact NH2-OE2 3.32Å; R136-E139 WeakPolarHBondContact O-CB 3.3Å; R136-E139 PolarHBondContact O-N 3.46Å; R136-F140 PolarHBondContact O-N 3.41Å |
| 137 | R | 87.6 | Confident | 90.6 | Very high | 87 Ų | 87 | 68.5 Ų | 68.5 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.3 | -64.5 | -175.7 | -151.7 | 162.4 | 6.3 | 112.9 | M132 E133 K134 T141 | M132-R137 HydrophobicContact CG-CG 3.72Å; M132-R137 HydrophobicContact SD-CB 4.43Å; M132-R137 HydrophobicContact SD-CG 4.08Å; E133-R137 PolarHBondContact O-N 3.5Å; K134-R137 PolarHBondContact O-N 3.01Å; R137-T141 VanDerWaalsContact O-CB 3.31Å; R137-T141 WeakPolarHBondContact O-CB 3.23Å; R137-T141 PolarHBondContact O-N 3.31Å; R137-T141 PolarHBondContact O-OG1 2.97Å |
| 138 | A | 88.3 | Confident | 90.6 | Very high | 62 Ų | 62 | 68.8 Ų | 68.8 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R136 F140 T141 E142 | R136-A138 PolarHBondContact O-N 2.97Å; A138-F140 PolarHBondContact O-N 3.42Å; A138-T141 PolarHBondContact O-N 3.13Å; A138-E142 WeakPolarHBondContact O-CB 3.49Å; A138-E142 PolarHBondContact O-N 2.88Å |
| 139 | E | 91.5 | Very high | 90.4 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.5 | -49.2 | 174.9 | -176.4 | -162.2 | 167.7 | 0 | 0 | 111.3 | F112 R136 E142 L143 | F112-E139 HydrophobicContact CE2-CB 4.43Å; F112-E139 HydrophobicContact CE2-CG 4.2Å; R136-E139 IonicContact CZ-OE2 3.66Å; R136-E139 IonicContact NE-OE2 3.02Å; R136-E139 PolarHBondContact NE-OE2 3.07Å; R136-E139 IonicContact NH2-OE1 3.46Å; R136-E139 PolarHBondContact NH2-OE1 2.95Å; R136-E139 IonicContact NH2-OE2 3.4Å; R136-E139 PolarHBondContact NH2-OE2 3.32Å; R136-E139 WeakPolarHBondContact O-CB 3.3Å; R136-E139 PolarHBondContact O-N 3.46Å; E139-E142 PolarHBondContact O-N 2.75Å; E139-L143 WeakPolarHBondContact O-CB 3.23Å; E139-L143 PolarHBondContact O-N 3.05Å |
| 140 | F | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 178.2 | -178 | -114.1 | 0 | 0 | 0 | 112.7 | L61 V79 I102 F112 L115 M132 R136 A138 L143 V144 | L61-F140 HydrophobicContact CD1-CE1 4.3Å; L61-F140 HydrophobicContact CD1-CZ 3.97Å; V79-F140 HydrophobicContact CB-CD1 4.23Å; V79-F140 HydrophobicContact CB-CE1 4.1Å; V79-F140 HydrophobicContact CG1-CD1 4.34Å; V79-F140 HydrophobicContact CG1-CE1 3.73Å; V79-F140 HydrophobicContact CG1-CZ 4.4Å; V79-F140 WeakPolarHBondContact O-CD1 3.37Å; V79-F140 WeakPolarHBondContact O-CE1 3.28Å; I102-F140 HydrophobicContact CD1-CE2 4.17Å; I102-F140 HydrophobicContact CG1-CE2 3.87Å; F112-F140 HydrophobicContact CB-CD2 4.46Å; F112-F140 AromaticContact CD1-CD2 3.58Å; F112-F140 HydrophobicContact CD1-CD2 3.58Å; F112-F140 HydrophobicContact CD1-CE2 4.13Å; F112-F140 HydrophobicContact CD1-CG 4.45Å; F112-F140 HydrophobicContact CD2-CB 4.31Å; F112-F140 HydrophobicContact CD2-CD2 4.14Å; F112-F140 HydrophobicContact CE1-CB 4.13Å; F112-F140 AromaticContact CE1-CD2 3.73Å; F112-F140 HydrophobicContact CE1-CD2 3.73Å; F112-F140 HydrophobicContact CE1-CE2 4.49Å; F112-F140 HydrophobicContact CE1-CG 4.17Å; F112-F140 HydrophobicContact CE2-CB 3.74Å; F112-F140 HydrophobicContact CE2-CD2 4.27Å; F112-F140 HydrophobicContact CE2-CG 4.48Å; F112-F140 AromaticContact CG-CD2 3.81Å; F112-F140 HydrophobicContact CG-CD2 3.81Å; F112-F140 HydrophobicContact CZ-CB 3.64Å; F112-F140 HydrophobicContact CZ-CD2 4.09Å; F112-F140 HydrophobicContact CZ-CG 4.19Å; L115-F140 HydrophobicContact CD1-CE2 4.26Å; M132-F140 HydrophobicContact CE-CB 4.18Å; M132-F140 HydrophobicContact CE-CD1 3.41Å; M132-F140 VanDerWaalsContact CE-CD1 3.41Å; M132-F140 HydrophobicContact CE-CE1 3.85Å; M132-F140 HydrophobicContact CE-CG 3.82Å; M132-F140 HydrophobicContact SD-CB 3.6Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.92Å; R136-F140 PolarHBondContact O-N 3.41Å; A138-F140 PolarHBondContact O-N 3.42Å; F140-L143 PolarHBondContact O-N 3.47Å; F140-V144 HydrophobicContact CD2-CG2 4.32Å; F140-V144 HydrophobicContact CE1-CG2 4.35Å; F140-V144 HydrophobicContact CE2-CG2 3.96Å; F140-V144 HydrophobicContact CZ-CG2 3.98Å; F140-V144 WeakPolarHBondContact O-CG2 3.33Å; F140-V144 PolarHBondContact O-N 3.42Å |
| 141 | T | 91.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 74.3 Ų | 74.3 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | V79 R137 A138 V144 H145 | V79-T141 HydrophobicContact CG2-CG2 4.09Å; V79-T141 PolarHBondContact N-OG1 3.2Å; V79-T141 VanDerWaalsContact N-OG1 3.15Å; R137-T141 VanDerWaalsContact O-CB 3.31Å; R137-T141 WeakPolarHBondContact O-CB 3.23Å; R137-T141 PolarHBondContact O-N 3.31Å; R137-T141 PolarHBondContact O-OG1 2.97Å; A138-T141 PolarHBondContact O-N 3.13Å; T141-V144 PolarHBondContact O-N 3.42Å; T141-H145 PolarHBondContact O-CD2 3.42Å; T141-H145 PolarHBondContact O-N 3.43Å |
| 142 | E | 91.6 | Very high | 90.5 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.1 | -170.7 | -176.1 | 175 | 0 | 0 | 111.9 | A138 E139 V144 H145 K146 | A138-E142 WeakPolarHBondContact O-CB 3.49Å; A138-E142 PolarHBondContact O-N 2.88Å; E139-E142 PolarHBondContact O-N 2.75Å; E142-V144 PolarHBondContact O-N 3.02Å; E142-H145 PolarHBondContact O-N 3.31Å; E142-K146 VanDerWaalsContact CD-NZ 3.35Å; E142-K146 HydrophobicContact CG-CD 4.19Å; E142-K146 WeakPolarHBondContact O-CB 3.29Å; E142-K146 VanDerWaalsContact O-CG 3.3Å; E142-K146 WeakPolarHBondContact O-CG 3.34Å; E142-K146 PolarHBondContact O-N 3.27Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.61Å; E142-K146 PolarHBondContact OE1-NZ 3.28Å |
| 143 | L | 92.9 | Very high | 90.8 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 176.4 | 175 | 71.4 | 0 | 0 | 0 | 111.5 | L111 F112 E139 F140 K146 K147 | L111-L143 HydrophobicContact CB-CD1 4.49Å; L111-L143 HydrophobicContact CB-CD2 4.2Å; F112-L143 HydrophobicContact CB-CD2 3.62Å; F112-L143 HydrophobicContact CD2-CD2 4.35Å; F112-L143 HydrophobicContact CG-CD2 4.32Å; E139-L143 WeakPolarHBondContact O-CB 3.23Å; E139-L143 PolarHBondContact O-N 3.05Å; F140-L143 PolarHBondContact O-N 3.47Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-K147 VanDerWaalsContact O-CG 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.43Å; L143-K147 PolarHBondContact O-N 3.03Å |
| 144 | V | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | -177.3 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | V28 L39 L61 V79 F140 T141 E142 K146 K147 V148 | V28-V144 HydrophobicContact CG1-CG1 4.1Å; L39-V144 HydrophobicContact CD1-CG1 3.36Å; L61-V144 HydrophobicContact CD2-CG1 3.88Å; V79-V144 HydrophobicContact CG1-CB 4.2Å; V79-V144 HydrophobicContact CG1-CG1 4.05Å; V79-V144 HydrophobicContact CG1-CG2 4.16Å; V79-V144 HydrophobicContact CG2-CB 4.23Å; V79-V144 HydrophobicContact CG2-CG1 4.28Å; F140-V144 HydrophobicContact CD2-CG2 4.32Å; F140-V144 HydrophobicContact CE1-CG2 4.35Å; F140-V144 HydrophobicContact CE2-CG2 3.96Å; F140-V144 HydrophobicContact CZ-CG2 3.98Å; F140-V144 WeakPolarHBondContact O-CG2 3.33Å; F140-V144 PolarHBondContact O-N 3.42Å; T141-V144 PolarHBondContact O-N 3.42Å; E142-V144 PolarHBondContact O-N 3.02Å; V144-K146 PolarHBondContact O-N 2.89Å; V144-K147 CarbonylContact O-C 3.6Å; V144-K147 WeakPolarHBondContact O-CA 3.43Å; V144-K147 PolarHBondContact O-N 3.31Å; V144-V148 PolarHBondContact O-N 2.95Å |
| 145 | H | 91.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176 | -79.1 | -59.7 | 0 | 0 | 0 | 113 | D63 T141 E142 K147 V148 | D63-H145 IonicContact OD1-CE1 2.79Å; D63-H145 IonicContact OD1-NE2 3.87Å; D63-H145 IonicContact OD2-CE1 2.72Å; T141-H145 PolarHBondContact O-CD2 3.42Å; T141-H145 PolarHBondContact O-N 3.43Å; E142-H145 PolarHBondContact O-N 3.31Å; H145-K147 PolarHBondContact O-N 3.31Å; H145-V148 VanDerWaalsContact O-CG2 3.27Å; H145-V148 WeakPolarHBondContact O-CG2 3.44Å; H145-V148 PolarHBondContact O-N 2.89Å |
| 146 | K | 91.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 49.3 Ų | 49.3 | 64% | 0.635 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.1 | -21 | 173.1 | -77.7 | 176.1 | -179.6 | 169 | 0 | 113.2 | E142 L143 V144 | E142-K146 VanDerWaalsContact CD-NZ 3.35Å; E142-K146 HydrophobicContact CG-CD 4.19Å; E142-K146 WeakPolarHBondContact O-CB 3.29Å; E142-K146 VanDerWaalsContact O-CG 3.3Å; E142-K146 WeakPolarHBondContact O-CG 3.34Å; E142-K146 PolarHBondContact O-N 3.27Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.61Å; E142-K146 PolarHBondContact OE1-NZ 3.28Å; L143-K146 PolarHBondContact O-N 2.87Å; V144-K146 PolarHBondContact O-N 2.89Å |
| 147 | K | 90.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.8 | -178.2 | -68 | -77.5 | -173.8 | 171.6 | 0 | 112.9 | V28 L143 V144 H145 S150 L152 | V28-K147 WeakPolarHBondContact CB-O 3.28Å; L143-K147 VanDerWaalsContact O-CG 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.43Å; L143-K147 PolarHBondContact O-N 3.03Å; V144-K147 CarbonylContact O-C 3.6Å; V144-K147 WeakPolarHBondContact O-CA 3.43Å; V144-K147 PolarHBondContact O-N 3.31Å; H145-K147 PolarHBondContact O-N 3.31Å; K147-S150 WeakPolarHBondContact O-CA 3.5Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.45Å; K147-S150 PolarHBondContact O-N 3.41Å; K147-L152 HydrophobicContact CB-CD1 4.09Å; K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 4.18Å; K147-L152 HydrophobicContact CD-CD2 4.07Å; K147-L152 HydrophobicContact CG-CD2 3.94Å |
| 148 | V | 91.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 141 | 168.5 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | V28 Q30 V144 H145 S150 | V28-V148 HydrophobicContact CG1-CG2 4.11Å; Q30-V148 HydrophobicContact CG-CG1 4.03Å; Q30-V148 HydrophobicContact CG-CG2 4Å; V144-V148 PolarHBondContact O-N 2.95Å; H145-V148 VanDerWaalsContact O-CG2 3.27Å; H145-V148 WeakPolarHBondContact O-CG2 3.44Å; H145-V148 PolarHBondContact O-N 2.89Å; V148-S150 PolarHBondContact O-N 3.17Å |
| 149 | D | 90.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 59% | 0.594 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 2.6 | -172.2 | -65.7 | -52.8 | 0 | 0 | 0 | 116 | K27 V28 | K27-D149 WeakPolarHBondContact CE-O 3.44Å; V28-D149 PolarHBondContact O-N 3.17Å |
| 150 | S | 91.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -103.5 | 162.9 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | K27 V28 K147 V148 | K27-S150 WeakPolarHBondContact CA-O 3.44Å; V28-S150 PolarHBondContact N-O 3.33Å; K147-S150 WeakPolarHBondContact O-CA 3.5Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.45Å; K147-S150 PolarHBondContact O-N 3.41Å; V148-S150 PolarHBondContact O-N 3.17Å |
| 151 | N | 92.6 | Very high | 93.7 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.5 | 174.4 | -66.1 | -38.6 | 0 | 0 | 0 | 110.9 | L26 K27 P105 | L26-N151 CarbonylContact O-C 3.47Å; L26-N151 VanDerWaalsContact O-CA 3.27Å; L26-N151 WeakPolarHBondContact O-CA 3.39Å; K27-N151 WeakPolarHBondContact CA-OD1 3.41Å; K27-N151 WeakPolarHBondContact CB-OD1 2.98Å; P105-N151 HydrophobicContact CG-CB 3.87Å |
| 152 | L | 93.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.2 | 170.3 | -68.4 | -179.2 | 0 | 0 | 0 | 109.8 | T25 L26 V28 I102 L111 K147 | T25-L152 WeakPolarHBondContact CA-O 3.46Å; L26-L152 HydrophobicContact CD2-CB 4.17Å; L26-L152 PolarHBondContact N-O 2.94Å; L26-L152 PolarHBondContact O-N 2.96Å; V28-L152 HydrophobicContact CG2-CB 4.39Å; V28-L152 HydrophobicContact CG2-CD1 3.5Å; V28-L152 VanDerWaalsContact CG2-CD1 3.5Å; V28-L152 HydrophobicContact CG2-CG 3.82Å; I102-L152 HydrophobicContact CG2-CB 4.37Å; I102-L152 HydrophobicContact CG2-CD1 4.18Å; I102-L152 HydrophobicContact CG2-CD2 4.09Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; L111-L152 HydrophobicContact CD1-CD2 3.78Å; K147-L152 HydrophobicContact CB-CD1 4.09Å; K147-L152 HydrophobicContact CB-CD2 4.07Å; K147-L152 HydrophobicContact CB-CG 4.18Å; K147-L152 HydrophobicContact CD-CD2 4.07Å; K147-L152 HydrophobicContact CG-CD2 3.94Å |
| 153 | L | 95.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.8 | 169.6 | 174.7 | 60.2 | 0 | 0 | 0 | 109.2 | P23 I102 L103 P105 V155 | P23-L153 HydrophobicContact CB-CD1 3.94Å; I102-L153 CarbonylContact C-O 3.57Å; I102-L153 WeakPolarHBondContact CA-O 3.01Å; L103-L153 HydrophobicContact CB-CB 4.21Å; L103-L153 HydrophobicContact CB-CD2 4.26Å; L103-L153 HydrophobicContact CB-CG 4.35Å; L103-L153 HydrophobicContact CD1-CD2 4.2Å; L103-L153 PolarHBondContact N-O 3.07Å; L103-L153 PolarHBondContact O-N 3.02Å; P105-L153 HydrophobicContact CB-CB 4.31Å; L153-V155 HydrophobicContact CD1-CG2 4.36Å; L153-V155 HydrophobicContact CD2-CG2 4.28Å; L153-V155 HydrophobicContact CG-CG2 3.99Å |
| 154 | V | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.6 | 171.7 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | W24 L26 L59 L81 Q101 I102 V156 | W24-V154 HydrophobicContact CB-CB 4.31Å; W24-V154 HydrophobicContact CE3-CB 4.03Å; W24-V154 HydrophobicContact CE3-CG1 4.37Å; W24-V154 HydrophobicContact CE3-CG2 3.96Å; W24-V154 HydrophobicContact CZ3-CG2 4.41Å; W24-V154 PolarHBondContact N-O 3.3Å; W24-V154 PolarHBondContact O-N 2.75Å; L26-V154 HydrophobicContact CD2-CB 4.47Å; L26-V154 HydrophobicContact CD2-CG2 3.41Å; L26-V154 VanDerWaalsContact CD2-CG2 3.41Å; L59-V154 HydrophobicContact CD1-CG1 4.46Å; L81-V154 HydrophobicContact CD2-CG1 3.8Å; Q101-V154 WeakPolarHBondContact O-CA 3.31Å; I102-V154 HydrophobicContact CD1-CB 4.3Å; I102-V154 HydrophobicContact CD1-CG1 4.15Å; I102-V154 HydrophobicContact CD1-CG2 3.7Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å |
| 155 | V | 96.6 | Very high | 94 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.2 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | Q21 A100 Q101 L103 L153 | Q21-V155 HydrophobicContact CG-CG1 3.6Å; A100-V155 VanDerWaalsContact CA-O 3.3Å; A100-V155 WeakPolarHBondContact CA-O 3.25Å; Q101-V155 HydrophobicContact CG-CB 3.9Å; Q101-V155 PolarHBondContact N-O 2.9Å; Q101-V155 PolarHBondContact O-N 3.18Å; L103-V155 HydrophobicContact CD1-CG2 3.72Å; L103-V155 HydrophobicContact CG-CG2 4.34Å; L153-V155 HydrophobicContact CD1-CG2 4.36Å; L153-V155 HydrophobicContact CD2-CG2 4.28Å; L153-V155 HydrophobicContact CG-CG2 3.99Å |
| 156 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.8 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | Q21 H22 L59 V98 R99 A100 V154 I158 | Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.43Å; H22-V156 PolarHBondContact N-O 3.39Å; H22-V156 PolarHBondContact O-N 3.28Å; L59-V156 HydrophobicContact CD1-CB 4.36Å; L59-V156 HydrophobicContact CD1-CG2 3.49Å; L59-V156 VanDerWaalsContact CD1-CG2 3.49Å; L59-V156 HydrophobicContact CD2-CG2 3.82Å; L59-V156 HydrophobicContact CG-CG2 4.3Å; V98-V156 HydrophobicContact CG1-CG1 3.65Å; R99-V156 CarbonylContact O-C 3.58Å; R99-V156 WeakPolarHBondContact O-CA 3.29Å; A100-V156 HydrophobicContact CB-CG2 4Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å; V156-I158 HydrophobicContact CG1-CG1 4.02Å |
| 157 | E | 96.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.3 | 170.9 | -176.7 | 178.9 | -104.4 | 0 | 0 | 108.6 | S19 F20 V98 R99 K159 | S19-E157 VanDerWaalsContact OG-CD 3.31Å; S19-E157 WeakPolarHBondContact OG-CG 3.45Å; S19-E157 PolarHBondContact OG-OE1 3.44Å; F20-E157 CarbonylContact O-C 3.47Å; F20-E157 VanDerWaalsContact O-CA 3.28Å; F20-E157 WeakPolarHBondContact O-CA 3.34Å; V98-E157 CarbonylContact C-O 3.49Å; V98-E157 VanDerWaalsContact CA-O 3.3Å; V98-E157 WeakPolarHBondContact CA-O 3.37Å; R99-E157 HydrophobicContact CB-CB 4.38Å; R99-E157 PolarHBondContact N-O 2.98Å; R99-E157 PolarHBondContact O-N 3.49Å; E157-K159 VanDerWaalsContact OE2-CE 3.28Å; E157-K159 WeakPolarHBondContact OE2-CE 3.37Å; E157-K159 IonicContact OE2-NZ 3.76Å |
| 158 | I | 96.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.2 | 179.1 | -52.8 | 178.1 | 0 | 0 | 0 | 107.9 | S19 F20 F46 T48 W57 L83 V95 V98 V156 M160 | S19-I158 WeakPolarHBondContact CA-O 3.34Å; F20-I158 PolarHBondContact N-O 3.4Å; F20-I158 PolarHBondContact O-N 3.09Å; F46-I158 HydrophobicContact CE2-CD1 3.79Å; F46-I158 HydrophobicContact CZ-CD1 4.14Å; T48-I158 HydrophobicContact CG2-CD1 4.44Å; W57-I158 HydrophobicContact CD2-CD1 4.29Å; W57-I158 HydrophobicContact CG-CD1 4.17Å; L83-I158 HydrophobicContact CD1-CD1 4.09Å; L83-I158 HydrophobicContact CD2-CD1 4.01Å; L83-I158 HydrophobicContact CD2-CG1 4.36Å; V95-I158 HydrophobicContact CG1-CG2 3.76Å; V98-I158 HydrophobicContact CG1-CG1 4.49Å; V156-I158 HydrophobicContact CG1-CG1 4.02Å; I158-M160 HydrophobicContact CG2-CG 3.9Å; I158-M160 HydrophobicContact CG2-SD 4.18Å |
| 159 | K | 95.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.5 | 177.2 | -66.2 | -171.1 | -171.7 | 159.9 | 0 | 110.8 | V17 I18 V95 E96 E97 E157 | V17-K159 HydrophobicContact CG1-CB 3.7Å; V17-K159 HydrophobicContact CG1-CD 4.35Å; V17-K159 HydrophobicContact CG1-CG 4.32Å; I18-K159 WeakPolarHBondContact O-CA 3.45Å; V95-K159 WeakPolarHBondContact CG1-O 3.3Å; E96-K159 HydrophobicContact CB-CB 4.44Å; E96-K159 PolarHBondContact N-O 3.46Å; E97-K159 HydrophobicContact CB-CB 4.08Å; E97-K159 HydrophobicContact CB-CD 4.18Å; E97-K159 HydrophobicContact CB-CG 4.41Å; E97-K159 PolarHBondContact N-O 3.37Å; E97-K159 PolarHBondContact O-N 3.17Å; E97-K159 WeakPolarHBondContact OE2-CD 3.26Å; E97-K159 WeakPolarHBondContact OE2-CE 3.36Å; E97-K159 IonicContact OE2-NZ 3.74Å; E97-K159 PolarHBondContact OE2-NZ 2.95Å; E157-K159 VanDerWaalsContact OE2-CE 3.28Å; E157-K159 WeakPolarHBondContact OE2-CE 3.37Å; E157-K159 IonicContact OE2-NZ 3.76Å |
| 160 | M | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.4 | -175.2 | -61.3 | -176.7 | 71.5 | 0 | 0 | 109.5 | I18 F20 F55 W57 V93 I158 L164 F165 | I18-M160 PolarHBondContact N-O 3.08Å; I18-M160 PolarHBondContact O-N 2.88Å; F20-M160 HydrophobicContact CE2-CB 4.37Å; F20-M160 HydrophobicContact CE2-SD 4.4Å; F55-M160 HydrophobicContact CB-CE 4.48Å; F55-M160 HydrophobicContact CD1-CE 4.14Å; F55-M160 HydrophobicContact CD2-CE 3.65Å; F55-M160 HydrophobicContact CD2-SD 4.44Å; F55-M160 HydrophobicContact CE1-CE 4.25Å; F55-M160 HydrophobicContact CE2-CE 3.78Å; F55-M160 HydrophobicContact CG-CE 3.84Å; F55-M160 HydrophobicContact CZ-CE 4.07Å; W57-M160 HydrophobicContact CZ2-CE 3.93Å; W57-M160 HydrophobicContact CZ2-SD 3.9Å; V93-M160 HydrophobicContact CG2-CE 3.77Å; I158-M160 HydrophobicContact CG2-CG 3.9Å; I158-M160 HydrophobicContact CG2-SD 4.18Å; M160-L164 HydrophobicContact CB-CD1 4.13Å; M160-L164 HydrophobicContact CE-CD1 3.81Å; M160-F165 HydrophobicContact CB-CE2 3.89Å; M160-F165 HydrophobicContact CB-CZ 4.34Å; M160-F165 HydrophobicContact CE-CZ 4.26Å; M160-F165 HydrophobicContact SD-CE2 4.43Å; M160-F165 HydrophobicContact SD-CZ 3.96Å |
| 161 | K | 94.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 31.9 Ų | 31.9 | 33% | 0.33 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 141 | 172.3 | -78 | 174.3 | 167.2 | 134.3 | 0 | 110.8 | D15 E96 S163 L164 | D15-K161 HydrophobicContact CB-CD 4.4Å; D15-K161 HydrophobicContact CB-CG 4.41Å; E96-K161 HydrophobicContact CG-CG 3.98Å; E96-K161 WeakPolarHBondContact OE1-CD 3.46Å; E96-K161 WeakPolarHBondContact OE1-CE 3.3Å; E96-K161 IonicContact OE1-NZ 3.04Å; E96-K161 PolarHBondContact OE1-NZ 2.97Å; K161-S163 PolarHBondContact O-N 3.43Å; K161-L164 HydrophobicContact CB-CD1 4.36Å; K161-L164 HydrophobicContact CB-CG 4.29Å; K161-L164 WeakPolarHBondContact O-CB 3.37Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-L164 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 93.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -60.9 | -33.9 | 176 | 177 | 163 | -164.4 | 0 | 0 | 111.9 | S16 I18 Y50 K51 L164 F165 | S16-E162 VanDerWaalsContact CB-OE2 3.29Å; S16-E162 WeakPolarHBondContact CB-OE2 3.46Å; S16-E162 VanDerWaalsContact O-CB 3.32Å; S16-E162 WeakPolarHBondContact O-CB 3.34Å; S16-E162 PolarHBondContact O-N 2.97Å; S16-E162 PolarHBondContact OG-OE2 3.4Å; I18-E162 HydrophobicContact CD1-CB 3.87Å; I18-E162 HydrophobicContact CD1-CG 4Å; I18-E162 HydrophobicContact CG1-CB 4.1Å; Y50-E162 HydrophobicContact CE1-CG 3.83Å; Y50-E162 VanDerWaalsContact CE1-OE1 3.31Å; Y50-E162 WeakPolarHBondContact CE1-OE1 3.32Å; Y50-E162 PolarHBondContact OH-OE1 2.73Å; K51-E162 WeakPolarHBondContact CE-OE1 3.38Å; K51-E162 IonicContact NZ-OE1 3.06Å; K51-E162 PolarHBondContact NZ-OE1 3.26Å; E162-L164 PolarHBondContact O-N 2.9Å; E162-L164 VanDerWaalsContact O-N 3.12Å; E162-F165 WeakPolarHBondContact O-CB 3.5Å; E162-F165 PolarHBondContact O-N 3.27Å |
| 163 | S | 93 | Very high | 92.9 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -58.9 | -21.7 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | D15 K161 F165 E166 N169 | D15-S163 WeakPolarHBondContact OD2-CB 3.36Å; D15-S163 PolarHBondContact OD2-OG 2.74Å; K161-S163 PolarHBondContact O-N 3.43Å; S163-F165 PolarHBondContact O-N 2.94Å; S163-E166 PolarHBondContact O-N 2.9Å; S163-N169 PolarHBondContact O-ND2 3.49Å |
| 164 | L | 94.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -71.7 | -4.2 | 171.7 | -63.9 | 171.4 | 0 | 0 | 0 | 113 | F55 V93 A94 M160 K161 E162 Y170 | F55-L164 HydrophobicContact CE2-CB 4.22Å; F55-L164 VanDerWaalsContact CE2-O 3.3Å; F55-L164 WeakPolarHBondContact CE2-O 3.4Å; F55-L164 HydrophobicContact CZ-CB 4.02Å; F55-L164 WeakPolarHBondContact CZ-O 3.43Å; V93-L164 HydrophobicContact CG2-CD1 3.96Å; V93-L164 HydrophobicContact CG2-CD2 4.28Å; A94-L164 WeakPolarHBondContact O-CD1 3.46Å; M160-L164 HydrophobicContact CB-CD1 4.13Å; M160-L164 HydrophobicContact CE-CD1 3.81Å; K161-L164 HydrophobicContact CB-CD1 4.36Å; K161-L164 HydrophobicContact CB-CG 4.29Å; K161-L164 WeakPolarHBondContact O-CB 3.37Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-L164 VanDerWaalsContact O-N 3.15Å; E162-L164 PolarHBondContact O-N 2.9Å; E162-L164 VanDerWaalsContact O-N 3.12Å; L164-Y170 PolarHBondContact O-OH 3.11Å |
| 165 | F | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -115.6 | 14.6 | 179.2 | -62.4 | -86.6 | 0 | 0 | 0 | 112.1 | I18 F20 Y50 K51 V53 F55 M160 E162 S163 P167 | I18-F165 HydrophobicContact CD1-CD2 4.01Å; I18-F165 HydrophobicContact CD1-CE2 4.31Å; F20-F165 HydrophobicContact CE1-CZ 4.49Å; F20-F165 HydrophobicContact CE2-CE1 4.41Å; F20-F165 AromaticContact CE2-CE2 3.81Å; F20-F165 HydrophobicContact CE2-CE2 3.81Å; F20-F165 AromaticContact CE2-CZ 3.45Å; F20-F165 HydrophobicContact CE2-CZ 3.45Å; F20-F165 VanDerWaalsContact CE2-CZ 3.45Å; F20-F165 AromaticContact CZ-CE1 3.91Å; F20-F165 HydrophobicContact CZ-CE1 3.91Å; F20-F165 AromaticContact CZ-CE2 3.89Å; F20-F165 HydrophobicContact CZ-CE2 3.89Å; F20-F165 AromaticContact CZ-CZ 3.35Å; F20-F165 HydrophobicContact CZ-CZ 3.35Å; Y50-F165 HydrophobicContact CD1-CB 3.66Å; Y50-F165 HydrophobicContact CD1-CD2 4.29Å; Y50-F165 AromaticContact CD1-CG 3.97Å; Y50-F165 HydrophobicContact CD1-CG 3.97Å; Y50-F165 HydrophobicContact CG-CB 4.43Å; Y50-F165 HydrophobicContact CG-CG 4.37Å; Y50-F165 WeakPolarHBondContact O-CD1 3.33Å; K51-F165 HydrophobicContact CB-CB 4.46Å; K51-F165 WeakPolarHBondContact CB-O 3.25Å; V53-F165 HydrophobicContact CB-CB 4.26Å; V53-F165 HydrophobicContact CB-CD1 4Å; V53-F165 HydrophobicContact CG1-CD1 4.22Å; V53-F165 WeakPolarHBondContact CG2-O 3.43Å; V53-F165 WeakPolarHBondContact O-CD1 3.42Å; F55-F165 HydrophobicContact CD2-CD1 4.46Å; F55-F165 AromaticContact CD2-CE1 3.75Å; F55-F165 HydrophobicContact CD2-CE1 3.75Å; F55-F165 HydrophobicContact CD2-CZ 4.02Å; F55-F165 HydrophobicContact CE2-CD1 4.13Å; F55-F165 AromaticContact CE2-CE1 3.79Å; F55-F165 HydrophobicContact CE2-CE1 3.79Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; M160-F165 HydrophobicContact CB-CE2 3.89Å; M160-F165 HydrophobicContact CB-CZ 4.34Å; M160-F165 HydrophobicContact CE-CZ 4.26Å; M160-F165 HydrophobicContact SD-CE2 4.43Å; M160-F165 HydrophobicContact SD-CZ 3.96Å; E162-F165 WeakPolarHBondContact O-CB 3.5Å; E162-F165 PolarHBondContact O-N 3.27Å; S163-F165 PolarHBondContact O-N 2.94Å; F165-P167 WeakPolarHBondContact O-CD 3.42Å |
| 166 | E | 91.6 | Very high | 88.8 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | trans | -92.2 | 110.2 | 172 | -65.3 | -62 | 155.6 | 0 | 0 | 109.3 | K51 S163 L168 N169 | K51-E166 WeakPolarHBondContact CD-OE1 3.28Å; K51-E166 IonicContact NZ-OE1 3.24Å; K51-E166 PolarHBondContact NZ-OE1 3.38Å; S163-E166 PolarHBondContact O-N 2.9Å; E166-L168 PolarHBondContact O-N 2.81Å; E166-L168 VanDerWaalsContact O-N 3.15Å; E166-N169 WeakPolarHBondContact O-CB 3.42Å; E166-N169 PolarHBondContact O-N 2.96Å; E166-N169 VanDerWaalsContact O-N 3.16Å | ||
| 167 | P | 90.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -59.6 | -32.4 | -172 | -25.2 | 33.3 | 0 | 0 | 0 | 114.3 | V53 F165 N169 Y170 I298 I321 V325 | V53-P167 HydrophobicContact CG2-CB 4.26Å; V53-P167 HydrophobicContact CG2-CG 3.65Å; F165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-N169 PolarHBondContact O-N 3.29Å; P167-Y170 WeakPolarHBondContact O-CD2 3.48Å; P167-Y170 PolarHBondContact O-N 3.49Å; P167-I298 HydrophobicContact CB-CD1 4.15Å; P167-I298 HydrophobicContact CG-CD1 3.79Å; P167-I298 HydrophobicContact CG-CG1 4.36Å; P167-I321 HydrophobicContact CB-CG2 4.32Å; P167-V325 HydrophobicContact CB-CG2 3.46Å; P167-V325 VanDerWaalsContact CB-CG2 3.46Å; P167-V325 HydrophobicContact CG-CG2 3.55Å |
| 168 | L | 90.6 | Very high | 84.8 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -68.6 | -20.3 | -175.9 | -55.4 | -176.7 | 0 | 0 | 0 | 112.7 | E166 Y170 L171 R291 C294 Q295 I298 | E166-L168 PolarHBondContact O-N 2.81Å; E166-L168 VanDerWaalsContact O-N 3.15Å; L168-Y170 PolarHBondContact O-N 2.92Å; L168-L171 HydrophobicContact CD2-CD1 4.29Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-R291 HydrophobicContact CD2-CG 4.25Å; L168-C294 HydrophobicContact CD2-CB 3.99Å; L168-Q295 HydrophobicContact CD1-CG 3.71Å; L168-Q295 HydrophobicContact CD2-CG 3.96Å; L168-Q295 HydrophobicContact CG-CG 4.5Å; L168-I298 HydrophobicContact CD2-CD1 4.36Å; L168-I298 HydrophobicContact CG-CD1 4.29Å |
| 169 | N | 90.5 | Very high | 83 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -68 | -14.1 | 176.2 | -70.1 | -10.7 | 0 | 0 | 0 | 112.9 | S163 E166 P167 | S163-N169 PolarHBondContact O-ND2 3.49Å; E166-N169 WeakPolarHBondContact O-CB 3.42Å; E166-N169 PolarHBondContact O-N 2.96Å; E166-N169 VanDerWaalsContact O-N 3.16Å; P167-N169 PolarHBondContact O-N 3.29Å |
| 170 | Y | 91.4 | Very high | 81.8 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 17% | 0.169 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -97.5 | -0.9 | 178.4 | -57 | -64.4 | 0 | 0 | 0 | 114.1 | V53 F55 P89 C90 L164 P167 L168 I321 M324 | V53-Y170 HydrophobicContact CG1-CE2 4.01Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.43Å; P89-Y170 HydrophobicContact CB-CD1 3.63Å; P89-Y170 HydrophobicContact CB-CD2 3.63Å; P89-Y170 HydrophobicContact CB-CE1 3.68Å; P89-Y170 HydrophobicContact CB-CE2 3.69Å; P89-Y170 HydrophobicContact CB-CG 3.6Å; P89-Y170 HydrophobicContact CG-CD1 4.03Å; P89-Y170 HydrophobicContact CG-CD2 4.06Å; P89-Y170 HydrophobicContact CG-CE1 3.53Å; P89-Y170 HydrophobicContact CG-CE2 3.55Å; P89-Y170 HydrophobicContact CG-CG 4.28Å; C90-Y170 HydrophobicContact CB-CD1 4.08Å; C90-Y170 HydrophobicContact CB-CE1 3.88Å; L164-Y170 PolarHBondContact O-OH 3.11Å; P167-Y170 WeakPolarHBondContact O-CD2 3.48Å; P167-Y170 PolarHBondContact O-N 3.49Å; L168-Y170 PolarHBondContact O-N 2.92Å; Y170-I321 VanDerWaalsContact CB-CD1 3.5Å; Y170-I321 HydrophobicContact CG-CD1 4.4Å; Y170-M324 HydrophobicContact CD2-CE 4.31Å |
| 171 | L | 90.8 | Very high | 81 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -98.8 | 158.7 | 172.6 | -64.2 | 171.6 | 0 | 0 | 0 | 109.2 | L168 D173 K287 E290 R291 I321 | L168-L171 HydrophobicContact CD2-CD1 4.29Å; L168-L171 PolarHBondContact O-N 2.9Å; L171-D173 PolarHBondContact O-N 3.43Å; L171-K287 HydrophobicContact CD2-CD 3.86Å; L171-E290 HydrophobicContact CD2-CB 4.31Å; L171-E290 HydrophobicContact CD2-CG 4.06Å; L171-R291 VanDerWaalsContact CD1-CA 3.41Å; L171-R291 HydrophobicContact CD1-CB 3.69Å; L171-R291 HydrophobicContact CD1-CG 4.16Å; L171-I321 HydrophobicContact CD2-CB 4.13Å; L171-I321 HydrophobicContact CD2-CG1 3.75Å; L171-I321 HydrophobicContact CD2-CG2 4.49Å; L171-I321 HydrophobicContact CG-CG1 4.27Å; L171-I321 HydrophobicContact CG-CG2 4.33Å |
| 172 | P | 87.4 | Confident | 80.5 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 129.5 | -178 | -27.7 | 35.1 | 0 | 0 | 0 | 111.9 | V174 K287 R291 | P172-V174 WeakPolarHBondContact O-CG2 3.3Å; P172-V174 PolarHBondContact O-N 3.39Å; P172-V174 VanDerWaalsContact O-N 3.1Å; P172-K287 HydrophobicContact CG-CB 4.13Å; P172-K287 HydrophobicContact CG-CG 4.35Å; P172-R291 PolarHBondContact O-NH2 2.99Å |
| 173 | D | 78.7 | Confident | 80.2 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 116.4 | -178 | -176.1 | -5.6 | 0 | 0 | 0 | 110.2 | L171 E175 T176 | L171-D173 PolarHBondContact O-N 3.43Å; D173-E175 PolarHBondContact OD1-N 3Å; D173-T176 PolarHBondContact OD1-N 2.78Å; D173-T176 WeakPolarHBondContact OD2-CB 3.41Å; D173-T176 PolarHBondContact OD2-OG1 3.18Å |
| 174 | V | 72.6 | Confident | 80 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -96.4 | -30.7 | 177 | -161.5 | 0 | 0 | 0 | 0 | 110.7 | P172 A177 F178 H253 R291 | P172-V174 WeakPolarHBondContact O-CG2 3.3Å; P172-V174 PolarHBondContact O-N 3.39Å; P172-V174 VanDerWaalsContact O-N 3.1Å; V174-A177 CarbonylContact O-C 3.54Å; V174-A177 WeakPolarHBondContact O-CA 3.41Å; V174-A177 VanDerWaalsContact O-CB 3.31Å; V174-A177 WeakPolarHBondContact O-CB 3.47Å; V174-A177 PolarHBondContact O-N 3.04Å; V174-A177 VanDerWaalsContact O-N 3.08Å; V174-F178 HydrophobicContact CB-CD2 4.47Å; V174-F178 HydrophobicContact CB-CE2 4.31Å; V174-F178 HydrophobicContact CG1-CD2 3.76Å; V174-F178 HydrophobicContact CG1-CE2 3.32Å; V174-F178 HydrophobicContact CG1-CZ 4.13Å; V174-F178 WeakPolarHBondContact O-CD2 3.31Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-H253 HydrophobicContact CG1-CB 3.53Å; V174-H253 HydrophobicContact CG2-CB 4.33Å; V174-R291 VanDerWaalsContact CG2-CZ 3.48Å |
| 175 | E | 67.9 | Low | 79.7 | Confident | 158 Ų | 158 | 62.7 Ų | 62.7 | 74% | 0.738 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -41.3 | -178.6 | -66.5 | -169 | 171.7 | 0 | 0 | 111.8 | D173 A177 F178 R179 | D173-E175 PolarHBondContact OD1-N 3Å; E175-A177 VanDerWaalsContact C-N 3.3Å; E175-F178 PolarHBondContact O-N 3.24Å; E175-R179 PolarHBondContact O-N 2.88Å |
| 176 | T | 61.4 | Low | 79.6 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 31% | 0.307 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30.6 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | D173 F178 R179 | D173-T176 PolarHBondContact OD1-N 2.78Å; D173-T176 WeakPolarHBondContact OD2-CB 3.41Å; D173-T176 PolarHBondContact OD2-OG1 3.18Å; T176-F178 VanDerWaalsContact C-N 3.31Å; T176-F178 PolarHBondContact O-N 2.66Å; T176-R179 VanDerWaalsContact O-CB 3.3Å; T176-R179 WeakPolarHBondContact O-CB 3.39Å; T176-R179 PolarHBondContact O-N 3.1Å; T176-R179 VanDerWaalsContact O-N 3.09Å |
| 177 | A | 53.2 | Low | 79.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -66.5 | -33.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V174 E175 R179 L246 T250 | V174-A177 CarbonylContact O-C 3.54Å; V174-A177 WeakPolarHBondContact O-CA 3.41Å; V174-A177 VanDerWaalsContact O-CB 3.31Å; V174-A177 WeakPolarHBondContact O-CB 3.47Å; V174-A177 PolarHBondContact O-N 3.04Å; V174-A177 VanDerWaalsContact O-N 3.08Å; E175-A177 VanDerWaalsContact C-N 3.3Å; A177-R179 VanDerWaalsContact C-N 3.29Å; A177-R179 PolarHBondContact O-N 3.04Å; A177-L246 HydrophobicContact CB-CD2 4.22Å; A177-T250 WeakPolarHBondContact CB-OG1 3.5Å |
| 178 | F | 56.3 | Low | 79.8 | Confident | 57 Ų | 57 | 62 Ų | 62 | 25% | 0.25 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -72.1 | -13 | 170.8 | -74.9 | -64.7 | 0 | 0 | 0 | 114.6 | V174 E175 T176 S180 E184 H253 I254 | V174-F178 HydrophobicContact CB-CD2 4.47Å; V174-F178 HydrophobicContact CB-CE2 4.31Å; V174-F178 HydrophobicContact CG1-CD2 3.76Å; V174-F178 HydrophobicContact CG1-CE2 3.32Å; V174-F178 HydrophobicContact CG1-CZ 4.13Å; V174-F178 WeakPolarHBondContact O-CD2 3.31Å; V174-F178 PolarHBondContact O-N 3.26Å; E175-F178 PolarHBondContact O-N 3.24Å; T176-F178 VanDerWaalsContact C-N 3.31Å; T176-F178 PolarHBondContact O-N 2.66Å; F178-S180 PolarHBondContact O-N 3.06Å; F178-S180 VanDerWaalsContact O-N 3.15Å; F178-E184 HydrophobicContact CD1-CB 4.21Å; F178-E184 VanDerWaalsContact CD1-CD 3.43Å; F178-E184 HydrophobicContact CD1-CG 3.71Å; F178-E184 HydrophobicContact CE1-CG 3.82Å; F178-H253 AromaticContact CE2-CD2 3.67Å; F178-H253 AromaticContact CE2-NE2 3.8Å; F178-H253 AromaticContact CZ-CD2 3.46Å; F178-H253 VanDerWaalsContact CZ-CD2 3.46Å; F178-H253 WeakPolarHBondContact CZ-CD2 3.43Å; F178-H253 AromaticContact CZ-NE2 3.84Å; F178-I254 HydrophobicContact CE1-CD1 4.34Å; F178-I254 HydrophobicContact CE1-CG1 4.46Å |
| 179 | R | 60.3 | Low | 80 | Confident | 163 Ų | 163 | 65.2 Ų | 65.2 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64.8 | -18.9 | 175.6 | -65.7 | 179.5 | -173 | 177.7 | 2 | 112.5 | E175 T176 A177 | E175-R179 PolarHBondContact O-N 2.88Å; T176-R179 VanDerWaalsContact O-CB 3.3Å; T176-R179 WeakPolarHBondContact O-CB 3.39Å; T176-R179 PolarHBondContact O-N 3.1Å; T176-R179 VanDerWaalsContact O-N 3.09Å; A177-R179 VanDerWaalsContact C-N 3.29Å; A177-R179 PolarHBondContact O-N 3.04Å |
| 180 | S | 69.3 | Low | 80.2 | Confident | 42 Ų | 42 | 61 Ų | 61 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | trans | -94.8 | 90.3 | 168.9 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | F178 R182 I183 E184 | F178-S180 PolarHBondContact O-N 3.06Å; F178-S180 VanDerWaalsContact O-N 3.15Å; S180-R182 PolarHBondContact O-N 2.79Å; S180-I183 PolarHBondContact O-N 3.45Å; S180-I183 WeakPolarHBondContact OG-CG1 3.2Å; S180-I183 PolarHBondContact OG-N 3.48Å; S180-E184 PolarHBondContact O-N 2.69Å; S180-E184 VanDerWaalsContact O-N 3.09Å | ||
| 181 | Q | 79.2 | Confident | 80.3 | Confident | 129 Ų | 129 | 59 Ų | 59 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -52.4 | -24.6 | 170.5 | -69.9 | -175 | 6 | 0 | 0 | 112.6 | K185 | Q181-K185 VanDerWaalsContact O-CB 3.25Å; Q181-K185 WeakPolarHBondContact O-CB 3.39Å; Q181-K185 WeakPolarHBondContact O-CD 2.99Å; Q181-K185 WeakPolarHBondContact O-CG 3.16Å; Q181-K185 PolarHBondContact O-N 3.4Å; Q181-K185 VanDerWaalsContact O-N 3.15Å |
| 182 | R | 84.6 | Confident | 80.5 | Confident | 124 Ų | 124 | 61 Ų | 61 | 47% | 0.468 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -51.4 | 174.7 | -177.5 | -179 | 175.4 | 173 | 1.2 | 111.1 | S180 K185 A186 E232 D235 | S180-R182 PolarHBondContact O-N 2.79Å; R182-K185 PolarHBondContact O-N 2.71Å; R182-A186 WeakPolarHBondContact O-CB 3.41Å; R182-A186 PolarHBondContact O-N 2.55Å; R182-A186 VanDerWaalsContact O-N 3.08Å; R182-E232 PolarHBondContact NH2-O 2.88Å; R182-D235 IonicContact CZ-OD2 3.99Å; R182-D235 IonicContact NH1-OD2 2.96Å; R182-D235 PolarHBondContact NH1-OD2 3.33Å; R182-D235 IonicContact NH2-OD2 2.79Å; R182-D235 PolarHBondContact NH2-OD2 2.9Å |
| 183 | I | 86.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 179.7 | -65.9 | 168.4 | 0 | 0 | 0 | 109.8 | S180 K185 A186 V187 I233 L246 V247 T250 | S180-I183 PolarHBondContact O-N 3.45Å; S180-I183 WeakPolarHBondContact OG-CG1 3.2Å; S180-I183 PolarHBondContact OG-N 3.48Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.05Å; I183-A186 PolarHBondContact O-N 3.34Å; I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CG2 3.43Å; I183-V187 PolarHBondContact O-N 2.85Å; I183-I233 HydrophobicContact CB-CD1 4Å; I183-I233 HydrophobicContact CG1-CD1 3.56Å; I183-I233 HydrophobicContact CG1-CG2 4.28Å; I183-I233 HydrophobicContact CG2-CD1 4.31Å; I183-L246 HydrophobicContact CD1-CB 4.11Å; I183-V247 HydrophobicContact CD1-CG2 4.32Å; I183-V247 HydrophobicContact CG1-CG2 4.22Å; I183-V247 HydrophobicContact CG2-CG2 3.98Å; I183-T250 HydrophobicContact CG2-CG2 4.03Å |
| 184 | E | 88.3 | Confident | 81.4 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.9 | -45.7 | -179.3 | -177.4 | -170.9 | 175.4 | 0 | 0 | 112.3 | F178 S180 N188 I254 | F178-E184 HydrophobicContact CD1-CB 4.21Å; F178-E184 VanDerWaalsContact CD1-CD 3.43Å; F178-E184 HydrophobicContact CD1-CG 3.71Å; F178-E184 HydrophobicContact CE1-CG 3.82Å; S180-E184 PolarHBondContact O-N 2.69Å; S180-E184 VanDerWaalsContact O-N 3.09Å; E184-N188 WeakPolarHBondContact O-CB 3.25Å; E184-N188 PolarHBondContact O-N 3.3Å; E184-N188 PolarHBondContact O-ND2 3.02Å; E184-I254 HydrophobicContact CG-CD1 4.25Å |
| 185 | K | 89.5 | Confident | 82.2 | Confident | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 178.5 | -76.1 | 172.4 | -173.4 | 171 | 0 | 112.3 | Q181 R182 I183 K189 | Q181-K185 VanDerWaalsContact O-CB 3.25Å; Q181-K185 WeakPolarHBondContact O-CB 3.39Å; Q181-K185 WeakPolarHBondContact O-CD 2.99Å; Q181-K185 WeakPolarHBondContact O-CG 3.16Å; Q181-K185 PolarHBondContact O-N 3.4Å; Q181-K185 VanDerWaalsContact O-N 3.15Å; R182-K185 PolarHBondContact O-N 2.71Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.05Å; K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 2.83Å |
| 186 | A | 91.1 | Very high | 83.4 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R182 I183 K189 F190 V229 I233 | R182-A186 WeakPolarHBondContact O-CB 3.41Å; R182-A186 PolarHBondContact O-N 2.55Å; R182-A186 VanDerWaalsContact O-N 3.08Å; I183-A186 PolarHBondContact O-N 3.34Å; A186-K189 PolarHBondContact O-N 3.05Å; A186-F190 WeakPolarHBondContact O-CB 3.39Å; A186-F190 PolarHBondContact O-N 3.33Å; A186-V229 HydrophobicContact CB-CG1 3.93Å; A186-I233 HydrophobicContact CB-CD1 4.11Å; A186-I233 HydrophobicContact CB-CG1 4.49Å |
| 187 | V | 92.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | I183 K189 F190 V191 V229 T250 F251 I254 | I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CG2 3.43Å; I183-V187 PolarHBondContact O-N 2.85Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.04Å; V187-F190 PolarHBondContact O-N 2.94Å; V187-V191 HydrophobicContact CG1-CG2 4.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.35Å; V187-V191 PolarHBondContact O-N 3.42Å; V187-V229 HydrophobicContact CG2-CG1 3.9Å; V187-V229 HydrophobicContact CG2-CG2 4.46Å; V187-T250 HydrophobicContact CB-CG2 4.36Å; V187-T250 HydrophobicContact CG2-CG2 4.11Å; V187-F251 HydrophobicContact CB-CD2 4.48Å; V187-F251 HydrophobicContact CG1-CB 4.19Å; V187-F251 HydrophobicContact CG1-CD2 3.83Å; V187-F251 HydrophobicContact CG1-CE2 4.46Å; V187-F251 HydrophobicContact CG1-CG 4.14Å; V187-F251 HydrophobicContact CG2-CB 4.38Å; V187-F251 HydrophobicContact CG2-CD2 4.13Å; V187-I254 HydrophobicContact CB-CD1 4.01Å; V187-I254 HydrophobicContact CG1-CB 3.93Å; V187-I254 HydrophobicContact CG1-CD1 3.63Å; V187-I254 HydrophobicContact CG1-CG1 4.31Å; V187-I254 HydrophobicContact CG1-CG2 4.15Å |
| 188 | N | 93.4 | Very high | 86.3 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 21% | 0.214 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 178.2 | -91.5 | -65.6 | 0 | 0 | 0 | 111.9 | E184 F190 V191 D192 R258 | E184-N188 WeakPolarHBondContact O-CB 3.25Å; E184-N188 PolarHBondContact O-N 3.3Å; E184-N188 PolarHBondContact O-ND2 3.02Å; N188-F190 VanDerWaalsContact C-N 3.34Å; N188-F190 PolarHBondContact O-N 3.47Å; N188-V191 PolarHBondContact O-N 3.48Å; N188-D192 WeakPolarHBondContact O-CB 3.3Å; N188-D192 PolarHBondContact O-N 2.96Å; N188-R258 PolarHBondContact OD1-NH1 2.67Å; N188-R258 VanDerWaalsContact OD1-NH1 3.13Å |
| 189 | K | 94.4 | Very high | 87.6 | Confident | 116 Ų | 116 | 66 Ų | 66 | 50% | 0.504 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.8 | -180 | -173.4 | 170.4 | -162.2 | 0 | 111.2 | K185 A186 V187 D192 D193 | K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 2.83Å; A186-K189 PolarHBondContact O-N 3.05Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.04Å; K189-D192 PolarHBondContact O-N 3.36Å; K189-D193 WeakPolarHBondContact O-CB 3.47Å; K189-D193 VanDerWaalsContact O-CG 3.27Å; K189-D193 PolarHBondContact O-N 3.37Å |
| 190 | F | 95 | Very high | 88.6 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 178.3 | -177.2 | -81.3 | 0 | 0 | 0 | 111.5 | A186 V187 N188 D192 D193 V194 I199 Y224 V229 F251 | A186-F190 WeakPolarHBondContact O-CB 3.39Å; A186-F190 PolarHBondContact O-N 3.33Å; V187-F190 PolarHBondContact O-N 2.94Å; N188-F190 VanDerWaalsContact C-N 3.34Å; N188-F190 PolarHBondContact O-N 3.47Å; F190-D192 VanDerWaalsContact C-N 3.32Å; F190-D192 PolarHBondContact O-N 2.93Å; F190-D193 PolarHBondContact O-N 3.48Å; F190-V194 HydrophobicContact CD1-CG2 3.99Å; F190-V194 HydrophobicContact CE1-CG2 3.44Å; F190-V194 VanDerWaalsContact CE1-CG2 3.44Å; F190-V194 HydrophobicContact CZ-CG2 3.85Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.71Å; F190-I199 HydrophobicContact CD2-CD1 3.64Å; F190-I199 HydrophobicContact CE2-CD1 3.7Å; F190-I199 HydrophobicContact CE2-CG2 4.41Å; F190-I199 HydrophobicContact CG-CD1 4.16Å; F190-I199 HydrophobicContact CZ-CD1 4.23Å; F190-I199 HydrophobicContact CZ-CG2 4.49Å; F190-Y224 HydrophobicContact CE2-CD1 4.08Å; F190-Y224 HydrophobicContact CE2-CE1 4.03Å; F190-Y224 AromaticContact CZ-CD1 3.79Å; F190-Y224 HydrophobicContact CZ-CD1 3.79Å; F190-Y224 HydrophobicContact CZ-CE1 4.15Å; F190-V229 HydrophobicContact CB-CG2 3.92Å; F190-V229 HydrophobicContact CD2-CG2 4.34Å; F190-V229 HydrophobicContact CG-CG2 4.17Å; F190-F251 AromaticContact CD1-CE2 3.46Å; F190-F251 HydrophobicContact CD1-CE2 3.46Å; F190-F251 VanDerWaalsContact CD1-CE2 3.46Å; F190-F251 AromaticContact CD1-CZ 3.55Å; F190-F251 HydrophobicContact CD1-CZ 3.55Å; F190-F251 AromaticContact CE1-CE2 3.94Å; F190-F251 HydrophobicContact CE1-CE2 3.94Å; F190-F251 AromaticContact CE1-CZ 3.69Å; F190-F251 HydrophobicContact CE1-CZ 3.69Å; F190-F251 HydrophobicContact CG-CE2 4.14Å |
| 191 | V | 94.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V187 N188 V194 I195 F251 I254 Y255 R258 V259 | V187-V191 HydrophobicContact CG1-CG2 4.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.35Å; V187-V191 PolarHBondContact O-N 3.42Å; N188-V191 PolarHBondContact O-N 3.48Å; V191-V194 PolarHBondContact O-N 3.35Å; V191-I195 HydrophobicContact CG1-CD1 3.79Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 3.36Å; V191-F251 HydrophobicContact CG2-CE2 4.4Å; V191-F251 HydrophobicContact CG2-CZ 4.14Å; V191-I254 HydrophobicContact CB-CG2 4.49Å; V191-I254 HydrophobicContact CG2-CG2 4.21Å; V191-Y255 HydrophobicContact CG2-CD2 4.21Å; V191-R258 HydrophobicContact CG1-CB 4.43Å; V191-V259 HydrophobicContact CG1-CG2 4.29Å |
| 192 | D | 95 | Very high | 89.5 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.9 | -81.5 | -39.7 | 0 | 0 | 0 | 112.5 | N188 K189 F190 V194 I195 N196 R258 | N188-D192 WeakPolarHBondContact O-CB 3.3Å; N188-D192 PolarHBondContact O-N 2.96Å; K189-D192 PolarHBondContact O-N 3.36Å; F190-D192 VanDerWaalsContact C-N 3.32Å; F190-D192 PolarHBondContact O-N 2.93Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.12Å; D192-I195 PolarHBondContact O-N 2.86Å; D192-N196 VanDerWaalsContact O-CB 3.28Å; D192-N196 WeakPolarHBondContact O-CB 3.47Å; D192-N196 VanDerWaalsContact O-CG 3.27Å; D192-N196 PolarHBondContact O-N 3.17Å; D192-N196 PolarHBondContact O-ND2 3.2Å; D192-R258 VanDerWaalsContact CG-NH1 3.26Å; D192-R258 IonicContact OD1-CZ 3.17Å; D192-R258 IonicContact OD1-NH1 3.68Å; D192-R258 PolarHBondContact OD1-NH1 2.56Å; D192-R258 VanDerWaalsContact OD1-NH1 3.11Å; D192-R258 IonicContact OD1-NH2 2.6Å; D192-R258 PolarHBondContact OD1-NH2 2.77Å; D192-R258 IonicContact OD2-CZ 2.9Å; D192-R258 IonicContact OD2-NH1 3.28Å; D192-R258 PolarHBondContact OD2-NH1 2.81Å; D192-R258 IonicContact OD2-NH2 3.11Å |
| 193 | D | 93.7 | Very high | 89.2 | Confident | 33 Ų | 33 | 62 Ų | 62 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.1 | -30.1 | 179.5 | -72.7 | -21.4 | 0 | 0 | 0 | 111.8 | K189 F190 G197 K198 I199 | K189-D193 WeakPolarHBondContact O-CB 3.47Å; K189-D193 VanDerWaalsContact O-CG 3.27Å; K189-D193 PolarHBondContact O-N 3.37Å; F190-D193 PolarHBondContact O-N 3.48Å; D193-G197 PolarHBondContact O-N 3.37Å; D193-K198 HydrophobicContact CB-CB 4.09Å; D193-K198 HydrophobicContact CB-CD 4.4Å; D193-K198 WeakPolarHBondContact O-CB 3.27Å; D193-K198 PolarHBondContact O-N 3.02Å; D193-K198 VanDerWaalsContact OD1-CD 3.23Å; D193-K198 WeakPolarHBondContact OD1-CD 3.14Å; D193-K198 IonicContact OD1-NZ 2.67Å; D193-K198 PolarHBondContact OD1-NZ 3.42Å; D193-I199 HydrophobicContact CB-CD1 3.47Å; D193-I199 VanDerWaalsContact CB-CD1 3.47Å; D193-I199 HydrophobicContact CB-CG1 3.75Å; D193-I199 PolarHBondContact O-N 2.85Å |
| 194 | V | 91.7 | Very high | 88.8 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.2 | -50.4 | 169.6 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | F190 V191 D192 N196 G197 I199 I201 I221 | F190-V194 HydrophobicContact CD1-CG2 3.99Å; F190-V194 HydrophobicContact CE1-CG2 3.44Å; F190-V194 VanDerWaalsContact CE1-CG2 3.44Å; F190-V194 HydrophobicContact CZ-CG2 3.85Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.71Å; V191-V194 PolarHBondContact O-N 3.35Å; D192-V194 VanDerWaalsContact C-N 3.3Å; D192-V194 PolarHBondContact O-N 3.12Å; V194-N196 PolarHBondContact O-N 2.83Å; V194-G197 PolarHBondContact O-N 3.12Å; V194-I199 HydrophobicContact CG2-CB 4.31Å; V194-I199 HydrophobicContact CG2-CD1 4.24Å; V194-I201 HydrophobicContact CG2-CD1 4.38Å; V194-I221 HydrophobicContact CG1-CD1 4.28Å; V194-I221 HydrophobicContact CG1-CG2 4.02Å; V194-I221 HydrophobicContact CG2-CG2 4.39Å |
| 195 | I | 89.3 | Confident | 88 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 179.6 | -69.2 | 167.1 | 0 | 0 | 0 | 111.1 | V191 D192 G197 V259 | V191-I195 HydrophobicContact CG1-CD1 3.79Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 3.36Å; D192-I195 PolarHBondContact O-N 2.86Å; I195-G197 VanDerWaalsContact C-N 3.3Å; I195-G197 PolarHBondContact O-N 2.81Å; I195-V259 HydrophobicContact CD1-CG2 4.15Å; I195-V259 HydrophobicContact CG1-CG2 4.41Å |
| 196 | N | 91.6 | Very high | 87.1 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.1 | 178.8 | -66.4 | -56.8 | 0 | 0 | 0 | 113.9 | D192 V194 K198 | D192-N196 VanDerWaalsContact O-CB 3.28Å; D192-N196 WeakPolarHBondContact O-CB 3.47Å; D192-N196 VanDerWaalsContact O-CG 3.27Å; D192-N196 PolarHBondContact O-N 3.17Å; D192-N196 PolarHBondContact O-ND2 3.2Å; V194-N196 PolarHBondContact O-N 2.83Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CD 4.3Å; N196-K198 HydrophobicContact CB-CG 4.19Å; N196-K198 PolarHBondContact O-N 2.9Å |
| 197 | G | 86.2 | Confident | 86.3 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 23.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D193 V194 I195 | D193-G197 PolarHBondContact O-N 3.37Å; V194-G197 PolarHBondContact O-N 3.12Å; I195-G197 VanDerWaalsContact C-N 3.3Å; I195-G197 PolarHBondContact O-N 2.81Å |
| 198 | K | 89.2 | Confident | 85.4 | Confident | 143 Ų | 143 | 73.5 Ų | 73.5 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | trans | -86.6 | -22.2 | -179.6 | -64.3 | 174.4 | -173.5 | 168.3 | 0 | 113.2 | D193 N196 | D193-K198 HydrophobicContact CB-CB 4.09Å; D193-K198 HydrophobicContact CB-CD 4.4Å; D193-K198 WeakPolarHBondContact O-CB 3.27Å; D193-K198 PolarHBondContact O-N 3.02Å; D193-K198 VanDerWaalsContact OD1-CD 3.23Å; D193-K198 WeakPolarHBondContact OD1-CD 3.14Å; D193-K198 IonicContact OD1-NZ 2.67Å; D193-K198 PolarHBondContact OD1-NZ 3.42Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CD 4.3Å; N196-K198 HydrophobicContact CB-CG 4.19Å; N196-K198 PolarHBondContact O-N 2.9Å | ||
| 199 | I | 85 | Confident | 84.1 | Confident | 44 Ų | 44 | 80.4 Ų | 80.4 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | trans | -99.7 | 132.1 | 176.6 | -70.6 | 167.6 | 0 | 0 | 0 | 109.3 | F190 D193 V194 I201 Y224 | F190-I199 HydrophobicContact CD2-CD1 3.64Å; F190-I199 HydrophobicContact CE2-CD1 3.7Å; F190-I199 HydrophobicContact CE2-CG2 4.41Å; F190-I199 HydrophobicContact CG-CD1 4.16Å; F190-I199 HydrophobicContact CZ-CD1 4.23Å; F190-I199 HydrophobicContact CZ-CG2 4.49Å; D193-I199 HydrophobicContact CB-CD1 3.47Å; D193-I199 VanDerWaalsContact CB-CD1 3.47Å; D193-I199 HydrophobicContact CB-CG1 3.75Å; D193-I199 PolarHBondContact O-N 2.85Å; V194-I199 HydrophobicContact CG2-CB 4.31Å; V194-I199 HydrophobicContact CG2-CD1 4.24Å; I199-I201 HydrophobicContact CG2-CG1 4.05Å; I199-Y224 HydrophobicContact CG2-CE1 3.96Å | ||
| 200 | R | 81.3 | Confident | 82.8 | Confident | 198 Ų | 198 | 84.3 Ų | 84.3 | 75% | 0.747 | 42% | 0.423 | S | S | * | . | trans | -94.2 | 128.7 | 165.6 | -65 | -169 | -177.4 | -167.9 | 0.8 | 109.1 | ||||
| 201 | I | 84.9 | Confident | 81.5 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 6% | 0.056 | 46% | 0.457 | C | S | . | . | trans | -103.7 | 113.1 | 178.4 | -61.6 | 167.5 | 0 | 0 | 0 | 106.7 | V194 I199 D203 L204 I221 Y224 | V194-I201 HydrophobicContact CG2-CD1 4.38Å; I199-I201 HydrophobicContact CG2-CG1 4.05Å; I201-D203 VanDerWaalsContact C-N 3.31Å; I201-D203 PolarHBondContact O-N 2.59Å; I201-L204 HydrophobicContact CB-CB 4.11Å; I201-L204 HydrophobicContact CB-CD1 3.63Å; I201-L204 HydrophobicContact CB-CG 4.26Å; I201-L204 HydrophobicContact CD1-CD1 3.53Å; I201-L204 HydrophobicContact CG1-CD1 4.15Å; I201-L204 HydrophobicContact CG2-CB 4.27Å; I201-L204 HydrophobicContact CG2-CD1 3.77Å; I201-L204 HydrophobicContact CG2-CG 4.13Å; I201-L204 WeakPolarHBondContact O-CB 3.42Å; I201-L204 PolarHBondContact O-N 3.29Å; I201-I221 HydrophobicContact CD1-CB 4.11Å; I201-I221 HydrophobicContact CD1-CG1 3.56Å; I201-I221 HydrophobicContact CD1-CG2 4.25Å; I201-Y224 HydrophobicContact CB-CD1 4.41Å; I201-Y224 HydrophobicContact CG1-CD1 3.81Å; I201-Y224 HydrophobicContact CG1-CE1 4.21Å; I201-Y224 HydrophobicContact CG1-CG 4.49Å; I201-Y224 HydrophobicContact CG2-CD1 4.15Å; I201-Y224 HydrophobicContact CG2-CG 3.97Å | ||
| 202 | P | 81.1 | Confident | 80.4 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -54.9 | -42.4 | -169 | -28.3 | 34.8 | 0 | 0 | 0 | 114.3 | L204 E205 H206 Y224 | P202-L204 VanDerWaalsContact C-N 3.28Å; P202-L204 PolarHBondContact O-N 2.99Å; P202-E205 PolarHBondContact O-N 3.34Å; P202-H206 PolarHBondContact O-ND1 2.97Å; P202-H206 VanDerWaalsContact O-ND1 3.15Å; P202-Y224 HydrophobicContact CG-CE2 4.25Å |
| 203 | D | 78.6 | Confident | 79.9 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -73.6 | -21.7 | -176.9 | -64.5 | -27.3 | 0 | 0 | 0 | 112.9 | I201 E205 V207 L220 | I201-D203 VanDerWaalsContact C-N 3.31Å; I201-D203 PolarHBondContact O-N 2.59Å; D203-E205 VanDerWaalsContact C-N 3.35Å; D203-V207 WeakPolarHBondContact O-CG2 3.38Å; D203-L220 HydrophobicContact CB-CD1 4.19Å; D203-L220 HydrophobicContact CB-CD2 3.86Å |
| 204 | L | 79.4 | Confident | 79.6 | Confident | 41 Ų | 41 | 97 Ų | 97 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -75.2 | -24 | 177.6 | -87.8 | 163.7 | 0 | 0 | 0 | 112.9 | I201 P202 H206 V207 V217 L220 I221 | I201-L204 HydrophobicContact CB-CB 4.11Å; I201-L204 HydrophobicContact CB-CD1 3.63Å; I201-L204 HydrophobicContact CB-CG 4.26Å; I201-L204 HydrophobicContact CD1-CD1 3.53Å; I201-L204 HydrophobicContact CG1-CD1 4.15Å; I201-L204 HydrophobicContact CG2-CB 4.27Å; I201-L204 HydrophobicContact CG2-CD1 3.77Å; I201-L204 HydrophobicContact CG2-CG 4.13Å; I201-L204 WeakPolarHBondContact O-CB 3.42Å; I201-L204 PolarHBondContact O-N 3.29Å; P202-L204 VanDerWaalsContact C-N 3.28Å; P202-L204 PolarHBondContact O-N 2.99Å; L204-H206 PolarHBondContact O-N 2.73Å; L204-V207 WeakPolarHBondContact O-CB 3.19Å; L204-V207 PolarHBondContact O-N 2.65Å; L204-V217 HydrophobicContact CD1-CG1 4.49Å; L204-V217 HydrophobicContact CD2-CB 4.07Å; L204-V217 HydrophobicContact CD2-CG1 3.73Å; L204-V217 HydrophobicContact CD2-CG2 3.92Å; L204-L220 HydrophobicContact CD1-CB 4.35Å; L204-L220 HydrophobicContact CD2-CB 4.44Å; L204-L220 HydrophobicContact CD2-CD1 3.97Å; L204-L220 HydrophobicContact CG-CB 3.99Å; L204-L220 HydrophobicContact CG-CD1 3.94Å; L204-I221 HydrophobicContact CD1-CD1 4.43Å; L204-I221 HydrophobicContact CD1-CG1 3.7Å |
| 205 | E | 70 | Confident | 79.6 | Confident | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -66.4 | -18.9 | 179.6 | -60.5 | -173 | 166.1 | 0 | 0 | 112.7 | P202 D203 | P202-E205 PolarHBondContact O-N 3.34Å; D203-E205 VanDerWaalsContact C-N 3.35Å |
| 206 | H | 71.8 | Confident | 79.6 | Confident | 161 Ų | 161 | 94.4 Ų | 94.4 | 75% | 0.745 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -98.3 | -1.7 | -178.6 | -57 | 89.9 | 0 | 0 | 0 | 113.1 | P202 L204 | P202-H206 PolarHBondContact O-ND1 2.97Å; P202-H206 VanDerWaalsContact O-ND1 3.15Å; L204-H206 PolarHBondContact O-N 2.73Å |
| 207 | V | 74.7 | Confident | 79.5 | Confident | 42 Ų | 42 | 91.9 Ų | 91.9 | 26% | 0.255 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -90.3 | 119.6 | -176.4 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | D203 L204 E209 A212 L220 | D203-V207 WeakPolarHBondContact O-CG2 3.38Å; L204-V207 WeakPolarHBondContact O-CB 3.19Å; L204-V207 PolarHBondContact O-N 2.65Å; V207-E209 PolarHBondContact O-N 2.91Å; V207-E209 VanDerWaalsContact O-N 3.09Å; V207-A212 HydrophobicContact CG1-CB 3.11Å; V207-L220 HydrophobicContact CG2-CD1 3.71Å |
| 208 | D | 72.9 | Confident | 79.9 | Confident | 81 Ų | 81 | 89.7 Ų | 89.7 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | trans | -68.9 | 106.6 | 173.2 | -178.3 | -2 | 0 | 0 | 0 | 109.3 | K210 Q211 A212 | D208-K210 PolarHBondContact O-N 2.78Å; D208-K210 WeakPolarHBondContact OD1-CB 3.35Å; D208-K210 PolarHBondContact OD1-N 3.37Å; D208-Q211 HydrophobicContact CB-CB 4.32Å; D208-Q211 PolarHBondContact O-N 2.97Å; D208-A212 VanDerWaalsContact O-CB 3.31Å; D208-A212 WeakPolarHBondContact O-CB 3.21Å; D208-A212 PolarHBondContact O-N 3.38Å | ||
| 209 | E | 66.3 | Low | 80.1 | Confident | 186 Ų | 186 | 87.6 Ų | 87.6 | 87% | 0.869 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -22.7 | 178.4 | -67.6 | -177.4 | 169.6 | 0 | 0 | 113.5 | V207 | V207-E209 PolarHBondContact O-N 2.91Å; V207-E209 VanDerWaalsContact O-N 3.09Å |
| 210 | K | 66.4 | Low | 80.4 | Confident | 197 Ų | 197 | 86.9 Ų | 86.9 | 86% | 0.857 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -17.4 | 179.6 | -62.7 | -177.5 | 179.9 | 177.4 | 0 | 114.1 | D208 | D208-K210 PolarHBondContact O-N 2.78Å; D208-K210 WeakPolarHBondContact OD1-CB 3.35Å; D208-K210 PolarHBondContact OD1-N 3.37Å |
| 211 | Q | 67.3 | Low | 81 | Confident | 166 Ų | 166 | 78.2 Ų | 78.2 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -16.6 | -178.1 | -63.8 | -170.4 | 10.8 | 0 | 0 | 113.2 | D208 D213 | D208-Q211 HydrophobicContact CB-CB 4.32Å; D208-Q211 PolarHBondContact O-N 2.97Å; Q211-D213 PolarHBondContact O-N 3.27Å |
| 212 | A | 72.3 | Confident | 81.5 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | trans | -72.2 | 125.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V207 D208 | V207-A212 HydrophobicContact CG1-CB 3.11Å; D208-A212 VanDerWaalsContact O-CB 3.31Å; D208-A212 WeakPolarHBondContact O-CB 3.21Å; D208-A212 PolarHBondContact O-N 3.38Å | ||
| 213 | D | 83.6 | Confident | 82 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | trans | -62.2 | 138.2 | 164.5 | 166.6 | 68.3 | 0 | 0 | 0 | 110.1 | Q211 F215 S216 V217 | Q211-D213 PolarHBondContact O-N 3.27Å; D213-F215 PolarHBondContact O-N 3.33Å; D213-F215 WeakPolarHBondContact OD2-CA 3.46Å; D213-F215 WeakPolarHBondContact OD2-CB 3.36Å; D213-F215 PolarHBondContact OD2-N 2.83Å; D213-S216 VanDerWaalsContact O-CB 3.26Å; D213-S216 WeakPolarHBondContact O-CB 3.38Å; D213-S216 PolarHBondContact O-N 3.2Å; D213-S216 PolarHBondContact OD2-N 3.23Å; D213-V217 PolarHBondContact O-N 3.15Å | ||
| 214 | K | 88.8 | Confident | 82.8 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | -175.7 | 71.2 | 172.9 | -169.3 | 166.5 | 0 | 112.6 | S216 V217 H218 E263 | K214-S216 VanDerWaalsContact C-N 3.32Å; K214-V217 WeakPolarHBondContact O-CB 3.49Å; K214-V217 PolarHBondContact O-N 3.16Å; K214-H218 PolarHBondContact O-CD2 3.39Å; K214-H218 PolarHBondContact O-N 3.25Å; K214-H218 VanDerWaalsContact O-N 3.15Å; K214-E263 IonicContact NZ-OE2 3.92Å; K214-E263 PolarHBondContact NZ-OE2 3.09Å |
| 215 | F | 91.1 | Very high | 83.4 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.5 | -24.4 | -180 | -56.9 | -80.2 | 0 | 0 | 0 | 112.4 | D213 V217 H218 R219 T272 L273 G276 L277 A280 | D213-F215 PolarHBondContact O-N 3.33Å; D213-F215 WeakPolarHBondContact OD2-CA 3.46Å; D213-F215 WeakPolarHBondContact OD2-CB 3.36Å; D213-F215 PolarHBondContact OD2-N 2.83Å; F215-V217 VanDerWaalsContact C-N 3.29Å; F215-V217 PolarHBondContact O-N 3.01Å; F215-H218 PolarHBondContact O-N 3.23Å; F215-R219 VanDerWaalsContact O-CB 3.31Å; F215-R219 WeakPolarHBondContact O-CB 3.37Å; F215-R219 PolarHBondContact O-N 3.27Å; F215-T272 HydrophobicContact CE2-CG2 4.44Å; F215-T272 HydrophobicContact CZ-CG2 4.37Å; F215-T272 VanDerWaalsContact CZ-O 3.29Å; F215-T272 WeakPolarHBondContact CZ-O 3.16Å; F215-L273 HydrophobicContact CE1-CD1 3.75Å; F215-G276 VanDerWaalsContact CE2-CA 3.46Å; F215-L277 HydrophobicContact CD1-CD2 4.36Å; F215-A280 HydrophobicContact CB-CB 3.86Å |
| 216 | S | 89.3 | Confident | 84.5 | Confident | 53 Ų | 53 | 70 Ų | 70 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 168.4 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | D213 K214 R219 L220 | D213-S216 VanDerWaalsContact O-CB 3.26Å; D213-S216 WeakPolarHBondContact O-CB 3.38Å; D213-S216 PolarHBondContact O-N 3.2Å; D213-S216 PolarHBondContact OD2-N 3.23Å; K214-S216 VanDerWaalsContact C-N 3.32Å; S216-R219 WeakPolarHBondContact O-CB 3.3Å; S216-R219 PolarHBondContact O-N 3.28Å; S216-L220 WeakPolarHBondContact O-CG 3.41Å; S216-L220 PolarHBondContact O-N 3.22Å; S216-L220 VanDerWaalsContact O-N 3.16Å |
| 217 | V | 90.1 | Very high | 85.5 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L204 D213 K214 F215 R219 L220 I221 | L204-V217 HydrophobicContact CD1-CG1 4.49Å; L204-V217 HydrophobicContact CD2-CB 4.07Å; L204-V217 HydrophobicContact CD2-CG1 3.73Å; L204-V217 HydrophobicContact CD2-CG2 3.92Å; D213-V217 PolarHBondContact O-N 3.15Å; K214-V217 WeakPolarHBondContact O-CB 3.49Å; K214-V217 PolarHBondContact O-N 3.16Å; F215-V217 VanDerWaalsContact C-N 3.29Å; F215-V217 PolarHBondContact O-N 3.01Å; V217-R219 PolarHBondContact O-N 2.92Å; V217-L220 PolarHBondContact O-N 3.42Å; V217-I221 HydrophobicContact CG1-CD1 3.87Å; V217-I221 WeakPolarHBondContact O-CG1 3.41Å; V217-I221 PolarHBondContact O-N 3.06Å |
| 218 | H | 92.9 | Very high | 86.3 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57 | -38.3 | 176.5 | -66.8 | -59.4 | 0 | 0 | 0 | 112.4 | K214 F215 I221 F222 Y255 | K214-H218 PolarHBondContact O-CD2 3.39Å; K214-H218 PolarHBondContact O-N 3.25Å; K214-H218 VanDerWaalsContact O-N 3.15Å; F215-H218 PolarHBondContact O-N 3.23Å; H218-I221 PolarHBondContact O-N 2.92Å; H218-F222 VanDerWaalsContact O-CB 3.26Å; H218-F222 WeakPolarHBondContact O-CB 3.4Å; H218-F222 PolarHBondContact O-N 3.34Å; H218-Y255 HydrophobicContact CB-CE1 4.46Å; H218-Y255 AromaticContact ND1-CE1 3.87Å; H218-Y255 AromaticContact ND1-CZ 3.8Å; H218-Y255 PolarHBondContact ND1-OH 3.05Å |
| 219 | R | 93.3 | Very high | 87.1 | Confident | 99 Ų | 99 | 61 Ų | 61 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 177.2 | -173.5 | -173.5 | -179 | -86.6 | -3.9 | 112.4 | F215 S216 V217 F222 I223 A280 L282 | F215-R219 VanDerWaalsContact O-CB 3.31Å; F215-R219 WeakPolarHBondContact O-CB 3.37Å; F215-R219 PolarHBondContact O-N 3.27Å; S216-R219 WeakPolarHBondContact O-CB 3.3Å; S216-R219 PolarHBondContact O-N 3.28Å; V217-R219 PolarHBondContact O-N 2.92Å; R219-F222 PolarHBondContact O-N 3.25Å; R219-I223 HydrophobicContact CG-CD1 3.88Å; R219-I223 WeakPolarHBondContact O-CG1 3.46Å; R219-I223 PolarHBondContact O-N 3.02Å; R219-A280 HydrophobicContact CB-CB 4.39Å; R219-A280 WeakPolarHBondContact CD-O 3.32Å; R219-A280 PolarHBondContact NE-O 3.11Å; R219-L282 HydrophobicContact CB-CD1 3.94Å; R219-L282 HydrophobicContact CB-CD2 4.33Å; R219-L282 HydrophobicContact CB-CG 4.31Å; R219-L282 HydrophobicContact CG-CD1 4.43Å; R219-L282 HydrophobicContact CG-CD2 4.05Å; R219-L282 HydrophobicContact CG-CG 4.26Å |
| 220 | L | 92.5 | Very high | 88.2 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 179.1 | -66.6 | 175.9 | 0 | 0 | 0 | 111.4 | D203 L204 V207 S216 V217 F222 Y224 | D203-L220 HydrophobicContact CB-CD1 4.19Å; D203-L220 HydrophobicContact CB-CD2 3.86Å; L204-L220 HydrophobicContact CD1-CB 4.35Å; L204-L220 HydrophobicContact CD2-CB 4.44Å; L204-L220 HydrophobicContact CD2-CD1 3.97Å; L204-L220 HydrophobicContact CG-CB 3.99Å; L204-L220 HydrophobicContact CG-CD1 3.94Å; V207-L220 HydrophobicContact CG2-CD1 3.71Å; S216-L220 WeakPolarHBondContact O-CG 3.41Å; S216-L220 PolarHBondContact O-N 3.22Å; S216-L220 VanDerWaalsContact O-N 3.16Å; V217-L220 PolarHBondContact O-N 3.42Å; L220-F222 VanDerWaalsContact C-N 3.33Å; L220-F222 PolarHBondContact O-N 2.88Å; L220-Y224 VanDerWaalsContact O-CB 3.28Å; L220-Y224 WeakPolarHBondContact O-CB 3.28Å; L220-Y224 PolarHBondContact O-N 3Å |
| 221 | I | 93.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.6 | -62.6 | 167.4 | 0 | 0 | 0 | 110.8 | V194 I201 L204 V217 H218 G225 Y255 | V194-I221 HydrophobicContact CG1-CD1 4.28Å; V194-I221 HydrophobicContact CG1-CG2 4.02Å; V194-I221 HydrophobicContact CG2-CG2 4.39Å; I201-I221 HydrophobicContact CD1-CB 4.11Å; I201-I221 HydrophobicContact CD1-CG1 3.56Å; I201-I221 HydrophobicContact CD1-CG2 4.25Å; L204-I221 HydrophobicContact CD1-CD1 4.43Å; L204-I221 HydrophobicContact CD1-CG1 3.7Å; V217-I221 HydrophobicContact CG1-CD1 3.87Å; V217-I221 WeakPolarHBondContact O-CG1 3.41Å; V217-I221 PolarHBondContact O-N 3.06Å; H218-I221 PolarHBondContact O-N 2.92Å; I221-G225 PolarHBondContact O-N 3.21Å; I221-Y255 WeakPolarHBondContact CD1-OH 3.28Å; I221-Y255 HydrophobicContact CG2-CE2 3.62Å |
| 222 | F | 94.7 | Very high | 90.1 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -49.9 | -176.7 | -172.4 | -91 | 0 | 0 | 0 | 112 | H218 R219 L220 G225 V226 R248 F251 A252 L282 A284 L285 | H218-F222 VanDerWaalsContact O-CB 3.26Å; H218-F222 WeakPolarHBondContact O-CB 3.4Å; H218-F222 PolarHBondContact O-N 3.34Å; R219-F222 PolarHBondContact O-N 3.25Å; L220-F222 VanDerWaalsContact C-N 3.33Å; L220-F222 PolarHBondContact O-N 2.88Å; F222-G225 PolarHBondContact O-N 3.37Å; F222-V226 HydrophobicContact CD1-CG2 4.26Å; F222-V226 HydrophobicContact CE1-CG2 3.87Å; F222-V226 HydrophobicContact CE2-CG2 4.4Å; F222-V226 HydrophobicContact CZ-CG2 3.95Å; F222-V226 WeakPolarHBondContact O-CG2 3.5Å; F222-V226 PolarHBondContact O-N 3.41Å; F222-R248 HydrophobicContact CE1-CG 4.4Å; F222-R248 HydrophobicContact CZ-CG 4.21Å; F222-F251 AromaticContact CD2-CD1 3.66Å; F222-F251 HydrophobicContact CD2-CD1 3.66Å; F222-F251 AromaticContact CD2-CE1 3.97Å; F222-F251 HydrophobicContact CD2-CE1 3.97Å; F222-F251 AromaticContact CE2-CD1 3.68Å; F222-F251 HydrophobicContact CE2-CD1 3.68Å; F222-F251 HydrophobicContact CE2-CE1 4.45Å; F222-A252 HydrophobicContact CE2-CB 3.95Å; F222-A252 HydrophobicContact CZ-CB 4.1Å; F222-L282 HydrophobicContact CB-CD2 4.13Å; F222-L282 HydrophobicContact CD1-CD2 3.86Å; F222-L282 HydrophobicContact CG-CD2 4.09Å; F222-A284 HydrophobicContact CE1-CB 4.48Å; F222-A284 HydrophobicContact CZ-CB 3.96Å; F222-L285 HydrophobicContact CD2-CD1 3.72Å; F222-L285 HydrophobicContact CD2-CD2 4.24Å; F222-L285 HydrophobicContact CD2-CG 3.96Å; F222-L285 HydrophobicContact CE2-CD1 4.19Å; F222-L285 HydrophobicContact CE2-CD2 4.09Å; F222-L285 HydrophobicContact CE2-CG 3.9Å; F222-L285 HydrophobicContact CG-CD1 4.19Å |
| 223 | I | 93.2 | Very high | 90.6 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 42% | 0.415 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.7 | -49.3 | -179.4 | -68.2 | 170.3 | 0 | 0 | 0 | 110.5 | R219 G225 D227 | R219-I223 HydrophobicContact CG-CD1 3.88Å; R219-I223 WeakPolarHBondContact O-CG1 3.46Å; R219-I223 PolarHBondContact O-N 3.02Å; I223-G225 VanDerWaalsContact C-N 3.33Å; I223-G225 PolarHBondContact O-N 3.03Å; I223-D227 WeakPolarHBondContact O-CB 3.19Å; I223-D227 PolarHBondContact O-N 2.64Å; I223-D227 VanDerWaalsContact O-N 3.16Å |
| 224 | Y | 94 | Very high | 90.2 | Very high | 65 Ų | 65 | 45 Ų | 45 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -37.2 | -179.2 | -179.4 | -99.1 | 0 | 0 | 0 | 112.3 | F190 I199 I201 P202 L220 S228 | F190-Y224 HydrophobicContact CE2-CD1 4.08Å; F190-Y224 HydrophobicContact CE2-CE1 4.03Å; F190-Y224 AromaticContact CZ-CD1 3.79Å; F190-Y224 HydrophobicContact CZ-CD1 3.79Å; F190-Y224 HydrophobicContact CZ-CE1 4.15Å; I199-Y224 HydrophobicContact CG2-CE1 3.96Å; I201-Y224 HydrophobicContact CB-CD1 4.41Å; I201-Y224 HydrophobicContact CG1-CD1 3.81Å; I201-Y224 HydrophobicContact CG1-CE1 4.21Å; I201-Y224 HydrophobicContact CG1-CG 4.49Å; I201-Y224 HydrophobicContact CG2-CD1 4.15Å; I201-Y224 HydrophobicContact CG2-CG 3.97Å; P202-Y224 HydrophobicContact CG-CE2 4.25Å; L220-Y224 VanDerWaalsContact O-CB 3.28Å; L220-Y224 WeakPolarHBondContact O-CB 3.28Å; L220-Y224 PolarHBondContact O-N 3Å; Y224-S228 WeakPolarHBondContact CE1-OG 3.46Å; Y224-S228 VanDerWaalsContact O-CB 3.23Å; Y224-S228 WeakPolarHBondContact O-CB 3.05Å; Y224-S228 PolarHBondContact O-N 3.1Å; Y224-S228 PolarHBondContact O-OG 2.96Å |
| 225 | G | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -46.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I221 F222 I223 D227 S228 V229 | I221-G225 PolarHBondContact O-N 3.21Å; F222-G225 PolarHBondContact O-N 3.37Å; I223-G225 VanDerWaalsContact C-N 3.33Å; I223-G225 PolarHBondContact O-N 3.03Å; G225-D227 VanDerWaalsContact C-N 3.34Å; G225-D227 PolarHBondContact O-N 3.15Å; G225-S228 PolarHBondContact O-N 3.12Å; G225-V229 WeakPolarHBondContact O-CB 3.35Å; G225-V229 VanDerWaalsContact O-CG2 3.3Å; G225-V229 WeakPolarHBondContact O-CG2 3.32Å; G225-V229 PolarHBondContact O-N 2.88Å |
| 226 | V | 93.2 | Very high | 87.2 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | F222 S230 V247 R248 F251 | F222-V226 HydrophobicContact CD1-CG2 4.26Å; F222-V226 HydrophobicContact CE1-CG2 3.87Å; F222-V226 HydrophobicContact CE2-CG2 4.4Å; F222-V226 HydrophobicContact CZ-CG2 3.95Å; F222-V226 WeakPolarHBondContact O-CG2 3.5Å; F222-V226 PolarHBondContact O-N 3.41Å; V226-S230 WeakPolarHBondContact O-CB 3.2Å; V226-S230 PolarHBondContact O-N 3.14Å; V226-S230 PolarHBondContact O-OG 3.5Å; V226-V247 HydrophobicContact CG1-CG1 4.41Å; V226-R248 HydrophobicContact CG1-CB 4.23Å; V226-F251 HydrophobicContact CG2-CB 3.93Å; V226-F251 HydrophobicContact CG2-CD1 4.25Å; V226-F251 HydrophobicContact CG2-CD2 4.35Å; V226-F251 HydrophobicContact CG2-CG 3.92Å |
| 227 | D | 91.6 | Very high | 85.5 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.9 | 175 | 45.4 | 0 | 0 | 0 | 112.2 | I223 G225 S230 R231 | I223-D227 WeakPolarHBondContact O-CB 3.19Å; I223-D227 PolarHBondContact O-N 2.64Å; I223-D227 VanDerWaalsContact O-N 3.16Å; G225-D227 VanDerWaalsContact C-N 3.34Å; G225-D227 PolarHBondContact O-N 3.15Å; D227-S230 PolarHBondContact O-N 2.84Å; D227-R231 PolarHBondContact O-N 3.1Å; D227-R231 IonicContact OD1-CZ 3.57Å; D227-R231 IonicContact OD1-NH1 3.02Å; D227-R231 PolarHBondContact OD1-NH1 3.5Å; D227-R231 IonicContact OD1-NH2 3.97Å; D227-R231 IonicContact OD2-CZ 3.06Å; D227-R231 IonicContact OD2-NH1 2.65Å; D227-R231 PolarHBondContact OD2-NH1 2.8Å; D227-R231 IonicContact OD2-NH2 2.81Å; D227-R231 PolarHBondContact OD2-NH2 3.37Å |
| 228 | S | 90.8 | Very high | 83.6 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 179.1 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | Y224 G225 R231 E232 | Y224-S228 WeakPolarHBondContact CE1-OG 3.46Å; Y224-S228 VanDerWaalsContact O-CB 3.23Å; Y224-S228 WeakPolarHBondContact O-CB 3.05Å; Y224-S228 PolarHBondContact O-N 3.1Å; Y224-S228 PolarHBondContact O-OG 2.96Å; G225-S228 PolarHBondContact O-N 3.12Å; S228-R231 PolarHBondContact O-N 2.82Å; S228-E232 PolarHBondContact O-N 3.14Å; S228-E232 VanDerWaalsContact O-N 3.13Å |
| 229 | V | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | A186 V187 F190 G225 R231 E232 I233 V247 F251 | A186-V229 HydrophobicContact CB-CG1 3.93Å; V187-V229 HydrophobicContact CG2-CG1 3.9Å; V187-V229 HydrophobicContact CG2-CG2 4.46Å; F190-V229 HydrophobicContact CB-CG2 3.92Å; F190-V229 HydrophobicContact CD2-CG2 4.34Å; F190-V229 HydrophobicContact CG-CG2 4.17Å; G225-V229 WeakPolarHBondContact O-CB 3.35Å; G225-V229 VanDerWaalsContact O-CG2 3.3Å; G225-V229 WeakPolarHBondContact O-CG2 3.32Å; G225-V229 PolarHBondContact O-N 2.88Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 3.07Å; V229-E232 PolarHBondContact O-N 3.35Å; V229-I233 HydrophobicContact CG1-CD1 3.57Å; V229-I233 HydrophobicContact CG1-CG1 4.32Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.32Å; V229-I233 PolarHBondContact O-N 2.67Å; V229-I233 VanDerWaalsContact O-N 3.13Å; V229-V247 HydrophobicContact CB-CG1 3.96Å; V229-V247 HydrophobicContact CG1-CG1 3.71Å; V229-V247 HydrophobicContact CG1-CG2 4.35Å; V229-F251 HydrophobicContact CG2-CD2 4.44Å; V229-F251 HydrophobicContact CG2-CE2 4.4Å |
| 230 | S | 89.7 | Confident | 80.6 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | V226 D227 I233 S234 | V226-S230 WeakPolarHBondContact O-CB 3.2Å; V226-S230 PolarHBondContact O-N 3.14Å; V226-S230 PolarHBondContact O-OG 3.5Å; D227-S230 PolarHBondContact O-N 2.84Å; S230-I233 PolarHBondContact O-N 2.6Å; S230-S234 VanDerWaalsContact O-CB 3.26Å; S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.24Å |
| 231 | R | 87.4 | Confident | 79.6 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 173.6 | -76.6 | -167.6 | -68.5 | -103.1 | -7.7 | 113.8 | D227 S228 V229 I233 | D227-R231 PolarHBondContact O-N 3.1Å; D227-R231 IonicContact OD1-CZ 3.57Å; D227-R231 IonicContact OD1-NH1 3.02Å; D227-R231 PolarHBondContact OD1-NH1 3.5Å; D227-R231 IonicContact OD1-NH2 3.97Å; D227-R231 IonicContact OD2-CZ 3.06Å; D227-R231 IonicContact OD2-NH1 2.65Å; D227-R231 PolarHBondContact OD2-NH1 2.8Å; D227-R231 IonicContact OD2-NH2 2.81Å; D227-R231 PolarHBondContact OD2-NH2 3.37Å; S228-R231 PolarHBondContact O-N 2.82Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 3.07Å; R231-I233 PolarHBondContact O-N 3.37Å |
| 232 | E | 86.1 | Confident | 78.5 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -25.7 | 177.1 | -176.8 | 176.8 | 175.2 | 0 | 0 | 112.4 | R182 S228 V229 | R182-E232 PolarHBondContact NH2-O 2.88Å; S228-E232 PolarHBondContact O-N 3.14Å; S228-E232 VanDerWaalsContact O-N 3.13Å; V229-E232 PolarHBondContact O-N 3.35Å |
| 233 | I | 83 | Confident | 77.7 | Confident | 16 Ų | 16 | 82.9 Ų | 82.9 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -98.2 | -30.5 | -173.8 | -62.8 | 178.9 | 0 | 0 | 0 | 112.4 | I183 A186 V229 S230 R231 D235 V247 | I183-I233 HydrophobicContact CB-CD1 4Å; I183-I233 HydrophobicContact CG1-CD1 3.56Å; I183-I233 HydrophobicContact CG1-CG2 4.28Å; I183-I233 HydrophobicContact CG2-CD1 4.31Å; A186-I233 HydrophobicContact CB-CD1 4.11Å; A186-I233 HydrophobicContact CB-CG1 4.49Å; V229-I233 HydrophobicContact CG1-CD1 3.57Å; V229-I233 HydrophobicContact CG1-CG1 4.32Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.32Å; V229-I233 PolarHBondContact O-N 2.67Å; V229-I233 VanDerWaalsContact O-N 3.13Å; S230-I233 PolarHBondContact O-N 2.6Å; R231-I233 PolarHBondContact O-N 3.37Å; I233-D235 PolarHBondContact O-N 3.4Å; I233-V247 HydrophobicContact CD1-CG2 4.04Å |
| 234 | S | 74.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -78.5 | 85.6 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | S230 | S230-S234 VanDerWaalsContact O-CB 3.26Å; S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.24Å | ||
| 235 | D | 61.1 | Low | 76.9 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | trans | -94.8 | -6.9 | 170 | -68.1 | -47.5 | 0 | 0 | 0 | 113.1 | R182 I233 | R182-D235 IonicContact CZ-OD2 3.99Å; R182-D235 IonicContact NH1-OD2 2.96Å; R182-D235 PolarHBondContact NH1-OD2 3.33Å; R182-D235 IonicContact NH2-OD2 2.79Å; R182-D235 PolarHBondContact NH2-OD2 2.9Å; I233-D235 PolarHBondContact O-N 3.4Å | ||
| 236 | N | 56.4 | Low | 76.6 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 75% | 0.754 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -142.3 | 124.1 | -178.3 | -82.9 | -41.9 | 0 | 0 | 0 | 112.9 | Q238 | N236-Q238 VanDerWaalsContact C-N 3.32Å; N236-Q238 PolarHBondContact O-N 2.82Å; N236-Q238 VanDerWaalsContact O-N 3.17Å |
| 237 | E | 52.3 | Low | 76.4 | Confident | 194 Ų | 194 | 85.4 Ų | 85.4 | 91% | 0.907 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -68.7 | -11.7 | -167 | -66.8 | -179.5 | 157.3 | 0 | 0 | 116.3 | ||
| 238 | Q | 51.9 | Low | 76.4 | Confident | 196 Ų | 196 | 85.4 Ų | 85.4 | 92% | 0.916 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -91.2 | -2 | -172.1 | -71.1 | -174.1 | -11.4 | 0 | 0 | 115.7 | N236 | N236-Q238 VanDerWaalsContact C-N 3.32Å; N236-Q238 PolarHBondContact O-N 2.82Å; N236-Q238 VanDerWaalsContact O-N 3.17Å |
| 239 | Q | 57.7 | Low | 76.4 | Confident | 148 Ų | 148 | 85.2 Ų | 85.2 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -124.6 | 16.2 | -179.7 | -77.6 | 177.8 | -21.9 | 0 | 0 | 114 | E241 C243 | Q239-E241 PolarHBondContact O-N 2.94Å; Q239-C243 VanDerWaalsContact O-CB 3.25Å; Q239-C243 WeakPolarHBondContact O-CB 3.47Å; Q239-C243 PolarHBondContact O-N 3.39Å |
| 240 | S | 65.8 | Low | 76.4 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | -165.6 | -168.3 | 0 | 0 | 0 | 0 | 114.4 | C243 E244 | S240-C243 PolarHBondContact O-N 2.73Å; S240-E244 WeakPolarHBondContact O-CB 3.47Å; S240-E244 PolarHBondContact O-N 3.33Å |
| 241 | E | 69.8 | Low | 76.6 | Confident | 165 Ų | 165 | 84.6 Ų | 84.6 | 77% | 0.771 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -71.6 | -42 | -172.8 | -67.9 | -179.5 | 179.9 | 0 | 0 | 113.1 | Q239 C243 E244 Q245 | Q239-E241 PolarHBondContact O-N 2.94Å; E241-C243 VanDerWaalsContact C-N 3.31Å; E241-C243 PolarHBondContact O-N 3.47Å; E241-E244 PolarHBondContact O-N 3.17Å; E241-Q245 PolarHBondContact O-N 3.41Å |
| 242 | I | 71.6 | Confident | 76.9 | Confident | 124 Ų | 124 | 77.8 Ų | 77.8 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 175.8 | -62 | 173.9 | 0 | 0 | 0 | 109.4 | Q245 L246 | I242-Q245 PolarHBondContact O-N 2.89Å; I242-L246 HydrophobicContact CG2-CD1 4.06Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 VanDerWaalsContact O-CG 3.25Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 2.84Å |
| 243 | C | 78 | Confident | 77.3 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | Q239 S240 E241 L246 V247 | Q239-C243 VanDerWaalsContact O-CB 3.25Å; Q239-C243 WeakPolarHBondContact O-CB 3.47Å; Q239-C243 PolarHBondContact O-N 3.39Å; S240-C243 PolarHBondContact O-N 2.73Å; E241-C243 VanDerWaalsContact C-N 3.31Å; E241-C243 PolarHBondContact O-N 3.47Å; C243-L246 PolarHBondContact O-N 3.39Å; C243-V247 VanDerWaalsContact O-CG2 3.27Å; C243-V247 WeakPolarHBondContact O-CG2 3.5Å; C243-V247 PolarHBondContact O-N 3.02Å |
| 244 | E | 84.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.2 | -169.2 | -172.3 | 149 | 0 | 0 | 111.8 | S240 E241 V247 R248 | S240-E244 WeakPolarHBondContact O-CB 3.47Å; S240-E244 PolarHBondContact O-N 3.33Å; E241-E244 PolarHBondContact O-N 3.17Å; E244-V247 PolarHBondContact O-N 3.34Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.46Å; E244-R248 PolarHBondContact O-N 3.28Å; E244-R248 IonicContact OE1-CZ 3.37Å; E244-R248 IonicContact OE1-NH1 2.67Å; E244-R248 IonicContact OE1-NH2 3.57Å; E244-R248 PolarHBondContact OE1-NH2 3.36Å |
| 245 | Q | 86.7 | Confident | 78.8 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 176.8 | -171.3 | 58.8 | 38.4 | 0 | 0 | 111.9 | E241 I242 R248 N249 | E241-Q245 PolarHBondContact O-N 3.41Å; I242-Q245 PolarHBondContact O-N 2.89Å; Q245-R248 PolarHBondContact O-N 2.9Å; Q245-N249 PolarHBondContact NE2-OD1 3.35Å; Q245-N249 WeakPolarHBondContact O-CB 3.2Å; Q245-N249 PolarHBondContact O-N 3.3Å; Q245-N249 PolarHBondContact O-OD1 3.18Å |
| 246 | L | 85.4 | Confident | 80.4 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 173.5 | -71.9 | 170.1 | 0 | 0 | 0 | 111.1 | A177 I183 I242 C243 R248 N249 T250 | A177-L246 HydrophobicContact CB-CD2 4.22Å; I183-L246 HydrophobicContact CD1-CB 4.11Å; I242-L246 HydrophobicContact CG2-CD1 4.06Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 VanDerWaalsContact O-CG 3.25Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 2.84Å; C243-L246 PolarHBondContact O-N 3.39Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.44Å; L246-N249 PolarHBondContact O-N 2.66Å; L246-T250 WeakPolarHBondContact O-CB 3.34Å; L246-T250 PolarHBondContact O-N 2.87Å; L246-T250 PolarHBondContact O-OG1 3.02Å |
| 247 | V | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -47 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | I183 V226 V229 I233 C243 E244 N249 T250 F251 | I183-V247 HydrophobicContact CD1-CG2 4.32Å; I183-V247 HydrophobicContact CG1-CG2 4.22Å; I183-V247 HydrophobicContact CG2-CG2 3.98Å; V226-V247 HydrophobicContact CG1-CG1 4.41Å; V229-V247 HydrophobicContact CB-CG1 3.96Å; V229-V247 HydrophobicContact CG1-CG1 3.71Å; V229-V247 HydrophobicContact CG1-CG2 4.35Å; I233-V247 HydrophobicContact CD1-CG2 4.04Å; C243-V247 VanDerWaalsContact O-CG2 3.27Å; C243-V247 WeakPolarHBondContact O-CG2 3.5Å; C243-V247 PolarHBondContact O-N 3.02Å; E244-V247 PolarHBondContact O-N 3.34Å; V247-N249 PolarHBondContact O-N 3.15Å; V247-T250 PolarHBondContact O-N 3.03Å; V247-F251 WeakPolarHBondContact O-CB 3.4Å; V247-F251 PolarHBondContact O-N 3.35Å |
| 248 | R | 91.6 | Very high | 84.1 | Confident | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 179.1 | -178.2 | -178.4 | -69.6 | 118.2 | 5.3 | 112.1 | F222 V226 E244 Q245 L246 A252 A284 | F222-R248 HydrophobicContact CE1-CG 4.4Å; F222-R248 HydrophobicContact CZ-CG 4.21Å; V226-R248 HydrophobicContact CG1-CB 4.23Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.46Å; E244-R248 PolarHBondContact O-N 3.28Å; E244-R248 IonicContact OE1-CZ 3.37Å; E244-R248 IonicContact OE1-NH1 2.67Å; E244-R248 IonicContact OE1-NH2 3.57Å; E244-R248 PolarHBondContact OE1-NH2 3.36Å; Q245-R248 PolarHBondContact O-N 2.9Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.44Å; R248-A252 WeakPolarHBondContact O-CB 3.33Å; R248-A252 PolarHBondContact O-N 3.24Å; R248-A284 HydrophobicContact CG-CB 4.22Å |
| 249 | N | 90.7 | Very high | 86 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -48 | 178.7 | -69.9 | -7.8 | 0 | 0 | 0 | 111.2 | Q245 L246 V247 F251 A252 H253 | Q245-N249 PolarHBondContact NE2-OD1 3.35Å; Q245-N249 WeakPolarHBondContact O-CB 3.2Å; Q245-N249 PolarHBondContact O-N 3.3Å; Q245-N249 PolarHBondContact O-OD1 3.18Å; L246-N249 PolarHBondContact O-N 2.66Å; V247-N249 PolarHBondContact O-N 3.15Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 2.97Å; N249-A252 PolarHBondContact O-N 2.91Å; N249-H253 PolarHBondContact O-N 3.21Å |
| 250 | T | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | A177 I183 V187 L246 V247 H253 I254 | A177-T250 WeakPolarHBondContact CB-OG1 3.5Å; I183-T250 HydrophobicContact CG2-CG2 4.03Å; V187-T250 HydrophobicContact CB-CG2 4.36Å; V187-T250 HydrophobicContact CG2-CG2 4.11Å; L246-T250 WeakPolarHBondContact O-CB 3.34Å; L246-T250 PolarHBondContact O-N 2.87Å; L246-T250 PolarHBondContact O-OG1 3.02Å; V247-T250 PolarHBondContact O-N 3.03Å; T250-H253 PolarHBondContact O-N 3.48Å; T250-I254 HydrophobicContact CG2-CD1 3.71Å; T250-I254 HydrophobicContact CG2-CG1 4.46Å; T250-I254 WeakPolarHBondContact O-CG1 3.23Å; T250-I254 PolarHBondContact O-N 3.25Å |
| 251 | F | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 177.6 | -159.5 | -71.4 | 0 | 0 | 0 | 111.4 | V187 F190 V191 F222 V226 V229 V247 N249 H253 Y255 | V187-F251 HydrophobicContact CB-CD2 4.48Å; V187-F251 HydrophobicContact CG1-CB 4.19Å; V187-F251 HydrophobicContact CG1-CD2 3.83Å; V187-F251 HydrophobicContact CG1-CE2 4.46Å; V187-F251 HydrophobicContact CG1-CG 4.14Å; V187-F251 HydrophobicContact CG2-CB 4.38Å; V187-F251 HydrophobicContact CG2-CD2 4.13Å; F190-F251 AromaticContact CD1-CE2 3.46Å; F190-F251 HydrophobicContact CD1-CE2 3.46Å; F190-F251 VanDerWaalsContact CD1-CE2 3.46Å; F190-F251 AromaticContact CD1-CZ 3.55Å; F190-F251 HydrophobicContact CD1-CZ 3.55Å; F190-F251 AromaticContact CE1-CE2 3.94Å; F190-F251 HydrophobicContact CE1-CE2 3.94Å; F190-F251 AromaticContact CE1-CZ 3.69Å; F190-F251 HydrophobicContact CE1-CZ 3.69Å; F190-F251 HydrophobicContact CG-CE2 4.14Å; V191-F251 HydrophobicContact CG2-CE2 4.4Å; V191-F251 HydrophobicContact CG2-CZ 4.14Å; F222-F251 AromaticContact CD2-CD1 3.66Å; F222-F251 HydrophobicContact CD2-CD1 3.66Å; F222-F251 AromaticContact CD2-CE1 3.97Å; F222-F251 HydrophobicContact CD2-CE1 3.97Å; F222-F251 AromaticContact CE2-CD1 3.68Å; F222-F251 HydrophobicContact CE2-CD1 3.68Å; F222-F251 HydrophobicContact CE2-CE1 4.45Å; V226-F251 HydrophobicContact CG2-CB 3.93Å; V226-F251 HydrophobicContact CG2-CD1 4.25Å; V226-F251 HydrophobicContact CG2-CD2 4.35Å; V226-F251 HydrophobicContact CG2-CG 3.92Å; V229-F251 HydrophobicContact CG2-CD2 4.44Å; V229-F251 HydrophobicContact CG2-CE2 4.4Å; V247-F251 WeakPolarHBondContact O-CB 3.4Å; V247-F251 PolarHBondContact O-N 3.35Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 2.97Å; F251-H253 VanDerWaalsContact C-N 3.32Å; F251-H253 PolarHBondContact O-N 3.23Å; F251-Y255 AromaticContact CE1-CD2 3.9Å; F251-Y255 HydrophobicContact CE1-CD2 3.9Å; F251-Y255 HydrophobicContact CE1-CG 4.06Å; F251-Y255 WeakPolarHBondContact O-CB 3.45Å; F251-Y255 PolarHBondContact O-N 2.71Å |
| 252 | A | 94.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F222 R248 N249 F256 A284 L285 E288 | F222-A252 HydrophobicContact CE2-CB 3.95Å; F222-A252 HydrophobicContact CZ-CB 4.1Å; R248-A252 WeakPolarHBondContact O-CB 3.33Å; R248-A252 PolarHBondContact O-N 3.24Å; N249-A252 PolarHBondContact O-N 2.91Å; A252-F256 WeakPolarHBondContact O-CB 3.31Å; A252-F256 PolarHBondContact O-N 2.92Å; A252-A284 HydrophobicContact CB-CB 3.82Å; A252-L285 HydrophobicContact CB-CD2 4.14Å; A252-L285 WeakPolarHBondContact O-CD2 3.41Å; A252-E288 HydrophobicContact CB-CG 4.03Å |
| 253 | H | 93.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.167 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -54.9 | -179.5 | -175.3 | 78 | 0 | 0 | 0 | 112.6 | V174 F178 N249 T250 F251 Y255 F256 E257 E288 | V174-H253 HydrophobicContact CG1-CB 3.53Å; V174-H253 HydrophobicContact CG2-CB 4.33Å; F178-H253 AromaticContact CE2-CD2 3.67Å; F178-H253 AromaticContact CE2-NE2 3.8Å; F178-H253 AromaticContact CZ-CD2 3.46Å; F178-H253 VanDerWaalsContact CZ-CD2 3.46Å; F178-H253 WeakPolarHBondContact CZ-CD2 3.43Å; F178-H253 AromaticContact CZ-NE2 3.84Å; N249-H253 PolarHBondContact O-N 3.21Å; T250-H253 PolarHBondContact O-N 3.48Å; F251-H253 VanDerWaalsContact C-N 3.32Å; F251-H253 PolarHBondContact O-N 3.23Å; H253-Y255 PolarHBondContact O-N 3.04Å; H253-F256 PolarHBondContact O-N 3.12Å; H253-E257 IonicContact NE2-OE2 2.81Å; H253-E257 WeakPolarHBondContact O-CB 3.44Å; H253-E257 PolarHBondContact O-N 3.26Å; H253-E288 HydrophobicContact CB-CG 4.45Å; H253-E288 IonicContact CE1-OE2 3.41Å; H253-E288 IonicContact CG-OE2 3.69Å; H253-E288 IonicContact ND1-OE2 2.67Å; H253-E288 PolarHBondContact ND1-OE2 3.38Å |
| 254 | I | 93.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -178 | -67.5 | 172.4 | 0 | 0 | 0 | 111 | F178 E184 V187 V191 T250 E257 R258 | F178-I254 HydrophobicContact CE1-CD1 4.34Å; F178-I254 HydrophobicContact CE1-CG1 4.46Å; E184-I254 HydrophobicContact CG-CD1 4.25Å; V187-I254 HydrophobicContact CB-CD1 4.01Å; V187-I254 HydrophobicContact CG1-CB 3.93Å; V187-I254 HydrophobicContact CG1-CD1 3.63Å; V187-I254 HydrophobicContact CG1-CG1 4.31Å; V187-I254 HydrophobicContact CG1-CG2 4.15Å; V191-I254 HydrophobicContact CB-CG2 4.49Å; V191-I254 HydrophobicContact CG2-CG2 4.21Å; T250-I254 HydrophobicContact CG2-CD1 3.71Å; T250-I254 HydrophobicContact CG2-CG1 4.46Å; T250-I254 WeakPolarHBondContact O-CG1 3.23Å; T250-I254 PolarHBondContact O-N 3.25Å; I254-E257 PolarHBondContact O-N 3.15Å; I254-R258 HydrophobicContact CG2-CG 4.29Å; I254-R258 WeakPolarHBondContact O-CB 3.39Å; I254-R258 WeakPolarHBondContact O-CG 3.4Å; I254-R258 PolarHBondContact O-N 3.25Å |
| 255 | Y | 95.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 179.2 | -169.6 | -97.4 | 0 | 0 | 0 | 111.2 | V191 H218 I221 F251 H253 V259 L260 L285 | V191-Y255 HydrophobicContact CG2-CD2 4.21Å; H218-Y255 HydrophobicContact CB-CE1 4.46Å; H218-Y255 AromaticContact ND1-CE1 3.87Å; H218-Y255 AromaticContact ND1-CZ 3.8Å; H218-Y255 PolarHBondContact ND1-OH 3.05Å; I221-Y255 WeakPolarHBondContact CD1-OH 3.28Å; I221-Y255 HydrophobicContact CG2-CE2 3.62Å; F251-Y255 AromaticContact CE1-CD2 3.9Å; F251-Y255 HydrophobicContact CE1-CD2 3.9Å; F251-Y255 HydrophobicContact CE1-CG 4.06Å; F251-Y255 WeakPolarHBondContact O-CB 3.45Å; F251-Y255 PolarHBondContact O-N 2.71Å; H253-Y255 PolarHBondContact O-N 3.04Å; Y255-V259 HydrophobicContact CD2-CB 4.49Å; Y255-V259 HydrophobicContact CD2-CG2 3.89Å; Y255-V259 HydrophobicContact CE1-CB 4.35Å; Y255-V259 HydrophobicContact CE1-CG1 4.4Å; Y255-V259 HydrophobicContact CE2-CB 4.31Å; Y255-V259 HydrophobicContact CE2-CG1 4.45Å; Y255-V259 HydrophobicContact CE2-CG2 3.81Å; Y255-V259 HydrophobicContact CG-CG2 4.39Å; Y255-V259 WeakPolarHBondContact O-CA 3.21Å; Y255-V259 WeakPolarHBondContact O-CB 3.39Å; Y255-V259 PolarHBondContact O-N 2.9Å; Y255-L260 HydrophobicContact CD1-CD1 4.21Å; Y255-L260 HydrophobicContact CD1-CG 4.28Å; Y255-L260 HydrophobicContact CE1-CD1 4.27Å; Y255-L260 HydrophobicContact CE1-CD2 4.37Å; Y255-L260 HydrophobicContact CE1-CG 4.17Å; Y255-L260 PolarHBondContact O-N 3.37Å; Y255-L285 HydrophobicContact CD1-CD1 4.24Å; Y255-L285 HydrophobicContact CD1-CD2 4.04Å |
| 256 | F | 95.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -59.6 | -52.8 | 174.4 | 174.6 | -95 | 0 | 0 | 0 | 111 | A252 H253 R258 L260 S261 I264 L273 L285 E288 V289 F292 | A252-F256 WeakPolarHBondContact O-CB 3.31Å; A252-F256 PolarHBondContact O-N 2.92Å; H253-F256 PolarHBondContact O-N 3.12Å; F256-R258 PolarHBondContact O-N 2.9Å; F256-L260 HydrophobicContact CD2-CB 3.9Å; F256-L260 HydrophobicContact CD2-CD1 4.32Å; F256-L260 HydrophobicContact CE2-CB 4.34Å; F256-L260 PolarHBondContact O-N 2.85Å; F256-S261 WeakPolarHBondContact O-CB 3.45Å; F256-S261 PolarHBondContact O-N 3.36Å; F256-I264 HydrophobicContact CE2-CD1 4.1Å; F256-I264 HydrophobicContact CZ-CD1 3.92Å; F256-L273 HydrophobicContact CE2-CD2 4.06Å; F256-L285 HydrophobicContact CB-CD2 4.12Å; F256-E288 HydrophobicContact CB-CB 3.87Å; F256-E288 HydrophobicContact CD1-CB 4.12Å; F256-E288 HydrophobicContact CD2-CB 4.38Å; F256-E288 HydrophobicContact CG-CB 3.83Å; F256-V289 HydrophobicContact CD2-CG2 3.96Å; F256-V289 HydrophobicContact CE2-CB 4.28Å; F256-V289 HydrophobicContact CE2-CG2 3.5Å; F256-V289 HydrophobicContact CZ-CG2 4.4Å; F256-F292 HydrophobicContact CE1-CB 3.59Å; F256-F292 HydrophobicContact CE1-CD2 4.13Å; F256-F292 AromaticContact CE1-CG 3.93Å; F256-F292 HydrophobicContact CE1-CG 3.93Å; F256-F292 HydrophobicContact CZ-CB 3.64Å; F256-F292 HydrophobicContact CZ-CD1 4.22Å; F256-F292 HydrophobicContact CZ-CD2 4.35Å; F256-F292 AromaticContact CZ-CG 3.82Å; F256-F292 HydrophobicContact CZ-CG 3.82Å |
| 257 | E | 92.8 | Very high | 91.6 | Very high | 110 Ų | 110 | 42.8 Ų | 42.8 | 51% | 0.514 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -61 | -45.3 | -176.7 | -169.2 | -170.3 | 173.2 | 0 | 0 | 112 | H253 I254 S261 | H253-E257 IonicContact NE2-OE2 2.81Å; H253-E257 WeakPolarHBondContact O-CB 3.44Å; H253-E257 PolarHBondContact O-N 3.26Å; I254-E257 PolarHBondContact O-N 3.15Å; E257-S261 PolarHBondContact O-OG 3Å |
| 258 | R | 92.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -85.8 | -26 | -172.6 | -61.9 | -172.1 | 71 | 175.8 | -0.1 | 114.3 | N188 V191 D192 I254 F256 R262 | N188-R258 PolarHBondContact OD1-NH1 2.67Å; N188-R258 VanDerWaalsContact OD1-NH1 3.13Å; V191-R258 HydrophobicContact CG1-CB 4.43Å; D192-R258 VanDerWaalsContact CG-NH1 3.26Å; D192-R258 IonicContact OD1-CZ 3.17Å; D192-R258 IonicContact OD1-NH1 3.68Å; D192-R258 PolarHBondContact OD1-NH1 2.56Å; D192-R258 VanDerWaalsContact OD1-NH1 3.11Å; D192-R258 IonicContact OD1-NH2 2.6Å; D192-R258 PolarHBondContact OD1-NH2 2.77Å; D192-R258 IonicContact OD2-CZ 2.9Å; D192-R258 IonicContact OD2-NH1 3.28Å; D192-R258 PolarHBondContact OD2-NH1 2.81Å; D192-R258 IonicContact OD2-NH2 3.11Å; I254-R258 HydrophobicContact CG2-CG 4.29Å; I254-R258 WeakPolarHBondContact O-CB 3.39Å; I254-R258 WeakPolarHBondContact O-CG 3.4Å; I254-R258 PolarHBondContact O-N 3.25Å; F256-R258 PolarHBondContact O-N 2.9Å; R258-R262 WeakPolarHBondContact O-CD 3.17Å; R258-R262 VanDerWaalsContact O-CZ 3.26Å; R258-R262 PolarHBondContact O-NE 3.4Å; R258-R262 VanDerWaalsContact O-NE 3.17Å |
| 259 | V | 93.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -113.2 | -61.3 | -173.8 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | V191 I195 Y255 | V191-V259 HydrophobicContact CG1-CG2 4.29Å; I195-V259 HydrophobicContact CD1-CG2 4.15Å; I195-V259 HydrophobicContact CG1-CG2 4.41Å; Y255-V259 HydrophobicContact CD2-CB 4.49Å; Y255-V259 HydrophobicContact CD2-CG2 3.89Å; Y255-V259 HydrophobicContact CE1-CB 4.35Å; Y255-V259 HydrophobicContact CE1-CG1 4.4Å; Y255-V259 HydrophobicContact CE2-CB 4.31Å; Y255-V259 HydrophobicContact CE2-CG1 4.45Å; Y255-V259 HydrophobicContact CE2-CG2 3.81Å; Y255-V259 HydrophobicContact CG-CG2 4.39Å; Y255-V259 WeakPolarHBondContact O-CA 3.21Å; Y255-V259 WeakPolarHBondContact O-CB 3.39Å; Y255-V259 PolarHBondContact O-N 2.9Å |
| 260 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -81.3 | -38 | -167.2 | -59.2 | 177.7 | 0 | 0 | 0 | 114 | Y255 F256 R262 E263 L273 L277 L285 | Y255-L260 HydrophobicContact CD1-CD1 4.21Å; Y255-L260 HydrophobicContact CD1-CG 4.28Å; Y255-L260 HydrophobicContact CE1-CD1 4.27Å; Y255-L260 HydrophobicContact CE1-CD2 4.37Å; Y255-L260 HydrophobicContact CE1-CG 4.17Å; Y255-L260 PolarHBondContact O-N 3.37Å; F256-L260 HydrophobicContact CD2-CB 3.9Å; F256-L260 HydrophobicContact CD2-CD1 4.32Å; F256-L260 HydrophobicContact CE2-CB 4.34Å; F256-L260 PolarHBondContact O-N 2.85Å; L260-R262 PolarHBondContact O-N 2.72Å; L260-E263 WeakPolarHBondContact O-CB 3.22Å; L260-E263 PolarHBondContact O-N 3.46Å; L260-L273 HydrophobicContact CB-CD1 4.37Å; L260-L273 HydrophobicContact CD1-CD1 4.35Å; L260-L273 HydrophobicContact CD2-CD1 4.39Å; L260-L277 HydrophobicContact CD1-CD2 4.3Å; L260-L285 HydrophobicContact CD1-CD1 4.04Å; L260-L285 HydrophobicContact CD1-CD2 4.05Å; L260-L285 HydrophobicContact CD1-CG 4.45Å |
| 261 | S | 92.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.6 | -30.2 | -174.7 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | F256 E257 E263 I264 | F256-S261 WeakPolarHBondContact O-CB 3.45Å; F256-S261 PolarHBondContact O-N 3.36Å; E257-S261 PolarHBondContact O-OG 3Å; S261-E263 PolarHBondContact O-N 2.86Å; S261-I264 PolarHBondContact O-N 3.46Å; S261-I264 VanDerWaalsContact O-N 3.09Å |
| 262 | R | 88.9 | Confident | 91.9 | Very high | 179 Ų | 179 | 50.6 Ų | 50.6 | 68% | 0.675 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -66.8 | -19.9 | 178.9 | -61.9 | -179.8 | 177.7 | 179.9 | 0.5 | 113.1 | R258 L260 I264 | R258-R262 WeakPolarHBondContact O-CD 3.17Å; R258-R262 VanDerWaalsContact O-CZ 3.26Å; R258-R262 PolarHBondContact O-NE 3.4Å; R258-R262 VanDerWaalsContact O-NE 3.17Å; L260-R262 PolarHBondContact O-N 2.72Å; R262-I264 VanDerWaalsContact C-N 3.33Å |
| 263 | E | 86.6 | Confident | 91.9 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -82.6 | -12.9 | 176.5 | -58.6 | -172.1 | -173.1 | 0 | 0 | 112.2 | K214 L260 S261 T265 D269 | K214-E263 IonicContact NZ-OE2 3.92Å; K214-E263 PolarHBondContact NZ-OE2 3.09Å; L260-E263 WeakPolarHBondContact O-CB 3.22Å; L260-E263 PolarHBondContact O-N 3.46Å; S261-E263 PolarHBondContact O-N 2.86Å; E263-T265 PolarHBondContact O-N 2.71Å; E263-D269 WeakPolarHBondContact O-CB 3.2Å |
| 264 | I | 90.6 | Very high | 91.9 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -90 | 97.9 | -175.3 | -48.8 | 173 | 0 | 0 | 0 | 109.4 | F256 S261 R262 F270 L273 F292 | F256-I264 HydrophobicContact CE2-CD1 4.1Å; F256-I264 HydrophobicContact CZ-CD1 3.92Å; S261-I264 PolarHBondContact O-N 3.46Å; S261-I264 VanDerWaalsContact O-N 3.09Å; R262-I264 VanDerWaalsContact C-N 3.33Å; I264-F270 HydrophobicContact CG2-CB 4.12Å; I264-L273 HydrophobicContact CD1-CD2 3.44Å; I264-L273 VanDerWaalsContact CD1-CD2 3.44Å; I264-L273 HydrophobicContact CG1-CD2 3.65Å; I264-F292 HydrophobicContact CD1-CD1 4.05Å; I264-F292 HydrophobicContact CD1-CE1 3.9Å; I264-F292 HydrophobicContact CG2-CE1 4.2Å | ||
| 265 | T | 87.6 | Confident | 91.9 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -108.9 | -36.7 | 174 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | E263 D269 | E263-T265 PolarHBondContact O-N 2.71Å; T265-D269 WeakPolarHBondContact CA-OD2 3.39Å; T265-D269 WeakPolarHBondContact CB-OD2 3.35Å; T265-D269 PolarHBondContact N-OD2 3.48Å |
| 266 | Y | 87.9 | Confident | 91.8 | Very high | 135 Ų | 135 | 52.6 Ų | 52.6 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -127.2 | 167.4 | -176.1 | -54.5 | -69.1 | 0 | 0 | 0 | 111.5 | D268 D269 F270 | Y266-D268 VanDerWaalsContact C-N 3.27Å; Y266-D268 PolarHBondContact O-N 3.32Å; Y266-D269 PolarHBondContact N-OD2 2.98Å; Y266-D269 WeakPolarHBondContact O-CB 3.4Å; Y266-D269 PolarHBondContact O-N 3.33Å; Y266-D269 VanDerWaalsContact O-N 3.12Å; Y266-F270 PolarHBondContact O-N 2.86Å |
| 267 | F | 88.9 | Confident | 91.8 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 176.6 | 178.1 | -100.5 | 0 | 0 | 0 | 112.6 | D269 F270 V271 F306 K309 L310 V313 I358 | F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.47Å; F267-F270 WeakPolarHBondContact O-CB 3.27Å; F267-F270 PolarHBondContact O-N 2.77Å; F267-V271 HydrophobicContact CD1-CG2 4.04Å; F267-V271 HydrophobicContact CE1-CG2 3.58Å; F267-V271 HydrophobicContact CE2-CG2 4.29Å; F267-V271 HydrophobicContact CZ-CG2 3.73Å; F267-V271 WeakPolarHBondContact O-CG2 3.47Å; F267-V271 PolarHBondContact O-N 2.68Å; F267-F306 HydrophobicContact CB-CE2 4.42Å; F267-F306 HydrophobicContact CD2-CD2 4.32Å; F267-F306 AromaticContact CD2-CE2 3.71Å; F267-F306 HydrophobicContact CD2-CE2 3.71Å; F267-F306 HydrophobicContact CE2-CE2 4.49Å; F267-F306 HydrophobicContact CG-CE2 4.46Å; F267-K309 HydrophobicContact CE1-CB 4.24Å; F267-K309 HydrophobicContact CE1-CD 4.33Å; F267-K309 HydrophobicContact CE2-CB 3.82Å; F267-K309 HydrophobicContact CZ-CB 3.58Å; F267-K309 HydrophobicContact CZ-CD 4.49Å; F267-L310 HydrophobicContact CE2-CD2 4.1Å; F267-V313 HydrophobicContact CE1-CG2 4.44Å; F267-V313 HydrophobicContact CE2-CG2 4.21Å; F267-V313 HydrophobicContact CZ-CG2 3.56Å; F267-I358 HydrophobicContact CE1-CD1 4.32Å; F267-I358 HydrophobicContact CE1-CG1 4.23Å; F267-I358 HydrophobicContact CZ-CD1 4.26Å |
| 268 | D | 90.1 | Very high | 91.8 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.7 | -31.6 | 178.6 | -67.2 | -11 | 0 | 0 | 0 | 112.2 | Y266 V271 T272 | Y266-D268 VanDerWaalsContact C-N 3.27Å; Y266-D268 PolarHBondContact O-N 3.32Å; D268-V271 PolarHBondContact O-N 3.34Å; D268-T272 WeakPolarHBondContact O-CB 3.45Å; D268-T272 PolarHBondContact O-N 3.15Å; D268-T272 PolarHBondContact O-OG1 3.35Å |
| 269 | D | 92.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.4 | -54.8 | -35.6 | 0 | 0 | 0 | 110.3 | E263 T265 Y266 F267 T272 L273 | E263-D269 WeakPolarHBondContact O-CB 3.2Å; T265-D269 WeakPolarHBondContact CA-OD2 3.39Å; T265-D269 WeakPolarHBondContact CB-OD2 3.35Å; T265-D269 PolarHBondContact N-OD2 3.48Å; Y266-D269 PolarHBondContact N-OD2 2.98Å; Y266-D269 WeakPolarHBondContact O-CB 3.4Å; Y266-D269 PolarHBondContact O-N 3.33Å; Y266-D269 VanDerWaalsContact O-N 3.12Å; F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.47Å; D269-T272 PolarHBondContact O-N 2.97Å; D269-L273 VanDerWaalsContact O-CB 3.31Å; D269-L273 WeakPolarHBondContact O-CB 3.22Å; D269-L273 PolarHBondContact O-N 2.88Å |
| 270 | F | 92.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 173.8 | 170 | -97 | 0 | 0 | 0 | 111.7 | I264 Y266 F267 T272 L273 V274 V289 I293 L310 V313 L319 L322 | I264-F270 HydrophobicContact CG2-CB 4.12Å; Y266-F270 PolarHBondContact O-N 2.86Å; F267-F270 WeakPolarHBondContact O-CB 3.27Å; F267-F270 PolarHBondContact O-N 2.77Å; F270-T272 PolarHBondContact O-N 3.4Å; F270-L273 PolarHBondContact O-N 2.91Å; F270-V274 HydrophobicContact CD1-CG2 4.47Å; F270-V274 HydrophobicContact CD2-CG2 4.3Å; F270-V274 HydrophobicContact CE1-CG2 4.11Å; F270-V274 HydrophobicContact CE2-CG2 3.94Å; F270-V274 HydrophobicContact CZ-CG2 3.82Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å; F270-V274 PolarHBondContact O-N 3.39Å; F270-V289 HydrophobicContact CD2-CG1 3.85Å; F270-V289 HydrophobicContact CE2-CG1 3.36Å; F270-V289 HydrophobicContact CZ-CG1 4.24Å; F270-I293 HydrophobicContact CE2-CB 3.92Å; F270-I293 HydrophobicContact CE2-CG1 4.2Å; F270-I293 HydrophobicContact CE2-CG2 3.92Å; F270-I293 HydrophobicContact CZ-CB 4.35Å; F270-I293 HydrophobicContact CZ-CG1 4.34Å; F270-I293 HydrophobicContact CZ-CG2 4.05Å; F270-L310 HydrophobicContact CD1-CD2 4.29Å; F270-L310 HydrophobicContact CE1-CD2 3.73Å; F270-L310 HydrophobicContact CZ-CD2 4.17Å; F270-V313 HydrophobicContact CD1-CG1 4.43Å; F270-V313 HydrophobicContact CE1-CG1 3.78Å; F270-L319 HydrophobicContact CZ-CD1 4.23Å; F270-L322 HydrophobicContact CZ-CD2 4.25Å |
| 271 | V | 92.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | F267 D268 L273 V274 E275 V313 Y317 | F267-V271 HydrophobicContact CD1-CG2 4.04Å; F267-V271 HydrophobicContact CE1-CG2 3.58Å; F267-V271 HydrophobicContact CE2-CG2 4.29Å; F267-V271 HydrophobicContact CZ-CG2 3.73Å; F267-V271 WeakPolarHBondContact O-CG2 3.47Å; F267-V271 PolarHBondContact O-N 2.68Å; D268-V271 PolarHBondContact O-N 3.34Å; V271-L273 VanDerWaalsContact C-N 3.29Å; V271-L273 PolarHBondContact O-N 2.96Å; V271-V274 PolarHBondContact O-N 3.49Å; V271-E275 VanDerWaalsContact O-CB 3.23Å; V271-E275 WeakPolarHBondContact O-CB 3.46Å; V271-E275 PolarHBondContact O-N 2.86Å; V271-V313 HydrophobicContact CG2-CG1 4.36Å; V271-V313 HydrophobicContact CG2-CG2 3.81Å; V271-Y317 HydrophobicContact CG1-CE2 4.39Å |
| 272 | T | 92.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F215 D268 D269 F270 G276 | F215-T272 HydrophobicContact CE2-CG2 4.44Å; F215-T272 HydrophobicContact CZ-CG2 4.37Å; F215-T272 VanDerWaalsContact CZ-O 3.29Å; F215-T272 WeakPolarHBondContact CZ-O 3.16Å; D268-T272 WeakPolarHBondContact O-CB 3.45Å; D268-T272 PolarHBondContact O-N 3.15Å; D268-T272 PolarHBondContact O-OG1 3.35Å; D269-T272 PolarHBondContact O-N 2.97Å; F270-T272 PolarHBondContact O-N 3.4Å; T272-G276 PolarHBondContact O-N 2.83Å |
| 273 | L | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 177.6 | 178.8 | 58.9 | 0 | 0 | 0 | 112.1 | F215 F256 L260 I264 D269 F270 V271 E275 G276 L277 V289 | F215-L273 HydrophobicContact CE1-CD1 3.75Å; F256-L273 HydrophobicContact CE2-CD2 4.06Å; L260-L273 HydrophobicContact CB-CD1 4.37Å; L260-L273 HydrophobicContact CD1-CD1 4.35Å; L260-L273 HydrophobicContact CD2-CD1 4.39Å; I264-L273 HydrophobicContact CD1-CD2 3.44Å; I264-L273 VanDerWaalsContact CD1-CD2 3.44Å; I264-L273 HydrophobicContact CG1-CD2 3.65Å; D269-L273 VanDerWaalsContact O-CB 3.31Å; D269-L273 WeakPolarHBondContact O-CB 3.22Å; D269-L273 PolarHBondContact O-N 2.88Å; F270-L273 PolarHBondContact O-N 2.91Å; V271-L273 VanDerWaalsContact C-N 3.29Å; V271-L273 PolarHBondContact O-N 2.96Å; L273-E275 VanDerWaalsContact C-N 3.35Å; L273-E275 PolarHBondContact O-N 2.88Å; L273-G276 PolarHBondContact O-N 3.45Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CG-CD1 4.04Å; L273-L277 WeakPolarHBondContact O-CB 3.34Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 3.03Å; L273-V289 HydrophobicContact CD2-CG2 3.86Å; L273-V289 HydrophobicContact CG-CG2 4.04Å |
| 274 | V | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 111 | F270 V271 T278 V289 Y317 L319 | F270-V274 HydrophobicContact CD1-CG2 4.47Å; F270-V274 HydrophobicContact CD2-CG2 4.3Å; F270-V274 HydrophobicContact CE1-CG2 4.11Å; F270-V274 HydrophobicContact CE2-CG2 3.94Å; F270-V274 HydrophobicContact CZ-CG2 3.82Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å; F270-V274 PolarHBondContact O-N 3.39Å; V271-V274 PolarHBondContact O-N 3.49Å; V274-T278 WeakPolarHBondContact O-CB 3.24Å; V274-T278 PolarHBondContact O-N 3.41Å; V274-T278 PolarHBondContact O-OG1 2.94Å; V274-V289 HydrophobicContact CG2-CG1 3.56Å; V274-Y317 HydrophobicContact CB-CD2 4.34Å; V274-Y317 VanDerWaalsContact CG1-CB 3.41Å; V274-Y317 HydrophobicContact CG1-CD1 4.19Å; V274-Y317 HydrophobicContact CG1-CD2 3.54Å; V274-Y317 HydrophobicContact CG1-CE2 4.33Å; V274-Y317 HydrophobicContact CG1-CG 3.46Å; V274-Y317 VanDerWaalsContact CG1-CG 3.46Å; V274-L319 HydrophobicContact CG1-CD1 4.15Å; V274-L319 HydrophobicContact CG1-CD2 4.33Å; V274-L319 HydrophobicContact CG2-CD1 4.25Å |
| 275 | E | 93.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -51.3 | 177.8 | -175.6 | 172 | -171.4 | 0 | 0 | 110.9 | V271 L273 L277 T278 F279 Y317 | V271-E275 VanDerWaalsContact O-CB 3.23Å; V271-E275 WeakPolarHBondContact O-CB 3.46Å; V271-E275 PolarHBondContact O-N 2.86Å; L273-E275 VanDerWaalsContact C-N 3.35Å; L273-E275 PolarHBondContact O-N 2.88Å; E275-L277 PolarHBondContact O-N 3.24Å; E275-T278 WeakPolarHBondContact O-CB 3.42Å; E275-T278 PolarHBondContact O-N 3.29Å; E275-T278 VanDerWaalsContact O-N 3.13Å; E275-F279 HydrophobicContact CG-CD2 3.69Å; E275-F279 HydrophobicContact CG-CE2 3.37Å; E275-F279 VanDerWaalsContact O-CD2 3.23Å; E275-F279 WeakPolarHBondContact O-CD2 3.36Å; E275-F279 PolarHBondContact O-N 3.11Å; E275-Y317 HydrophobicContact CB-CE1 3.96Å; E275-Y317 WeakPolarHBondContact CB-OH 3.26Å; E275-Y317 HydrophobicContact CG-CE1 4.09Å; E275-Y317 WeakPolarHBondContact CG-OH 3.46Å |
| 276 | G | 93.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 48 Ų | 48 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | F215 T272 L273 T278 F279 A280 | F215-G276 VanDerWaalsContact CE2-CA 3.46Å; T272-G276 PolarHBondContact O-N 2.83Å; L273-G276 PolarHBondContact O-N 3.45Å; G276-T278 VanDerWaalsContact C-N 3.28Å; G276-T278 PolarHBondContact O-N 2.88Å; G276-F279 PolarHBondContact O-N 3.31Å; G276-A280 WeakPolarHBondContact O-CB 3.36Å; G276-A280 PolarHBondContact O-N 3.4Å |
| 277 | L | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -31 | 176.1 | -67.8 | 174.7 | 0 | 0 | 0 | 112.5 | F215 L260 L273 E275 H281 L282 L285 V289 | F215-L277 HydrophobicContact CD1-CD2 4.36Å; L260-L277 HydrophobicContact CD1-CD2 4.3Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CG-CD1 4.04Å; L273-L277 WeakPolarHBondContact O-CB 3.34Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 3.03Å; E275-L277 PolarHBondContact O-N 3.24Å; L277-H281 PolarHBondContact O-N 3.13Å; L277-L282 HydrophobicContact CD2-CB 4.04Å; L277-L282 HydrophobicContact CD2-CD1 3.77Å; L277-L282 PolarHBondContact O-N 2.91Å; L277-L285 HydrophobicContact CD1-CB 4Å; L277-L285 HydrophobicContact CD2-CB 3.95Å; L277-L285 HydrophobicContact CD2-CD1 4.03Å; L277-V289 HydrophobicContact CD1-CG2 3.59Å |
| 278 | T | 92.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -49.1 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | V274 E275 G276 A280 H281 Y317 | V274-T278 WeakPolarHBondContact O-CB 3.24Å; V274-T278 PolarHBondContact O-N 3.41Å; V274-T278 PolarHBondContact O-OG1 2.94Å; E275-T278 WeakPolarHBondContact O-CB 3.42Å; E275-T278 PolarHBondContact O-N 3.29Å; E275-T278 VanDerWaalsContact O-N 3.13Å; G276-T278 VanDerWaalsContact C-N 3.28Å; G276-T278 PolarHBondContact O-N 2.88Å; T278-A280 PolarHBondContact O-N 3.24Å; T278-H281 PolarHBondContact O-N 3.2Å; T278-H281 VanDerWaalsContact O-N 3.14Å; T278-Y317 HydrophobicContact CG2-CD1 4.36Å |
| 279 | F | 91.9 | Very high | 93.4 | Very high | 144 Ų | 144 | 36.8 Ų | 36.8 | 63% | 0.632 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.7 | -33.3 | 177.3 | -72.7 | -57.6 | 0 | 0 | 0 | 113.4 | E275 G276 H281 | E275-F279 HydrophobicContact CG-CD2 3.69Å; E275-F279 HydrophobicContact CG-CE2 3.37Å; E275-F279 VanDerWaalsContact O-CD2 3.23Å; E275-F279 WeakPolarHBondContact O-CD2 3.36Å; E275-F279 PolarHBondContact O-N 3.11Å; G276-F279 PolarHBondContact O-N 3.31Å; F279-H281 PolarHBondContact O-CD2 2.78Å; F279-H281 PolarHBondContact O-N 3.42Å |
| 280 | A | 92.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F215 R219 G276 T278 L282 | F215-A280 HydrophobicContact CB-CB 3.86Å; R219-A280 HydrophobicContact CB-CB 4.39Å; R219-A280 WeakPolarHBondContact CD-O 3.32Å; R219-A280 PolarHBondContact NE-O 3.11Å; G276-A280 WeakPolarHBondContact O-CB 3.36Å; G276-A280 PolarHBondContact O-N 3.4Å; T278-A280 PolarHBondContact O-N 3.24Å; A280-L282 HydrophobicContact CB-CD1 3.89Å; A280-L282 HydrophobicContact CB-CG 4.21Å |
| 281 | H | 92.4 | Very high | 93.5 | Very high | 150 Ų | 150 | 35 Ų | 35 | 69% | 0.694 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 51 | -177.7 | -57.8 | -67.3 | 0 | 0 | 0 | 113.4 | L277 T278 F279 P283 | L277-H281 PolarHBondContact O-N 3.13Å; T278-H281 PolarHBondContact O-N 3.2Å; T278-H281 VanDerWaalsContact O-N 3.14Å; F279-H281 PolarHBondContact O-CD2 2.78Å; F279-H281 PolarHBondContact O-N 3.42Å; H281-P283 WeakPolarHBondContact O-CD 3.44Å |
| 282 | L | 93.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | trans | -110.7 | 71.3 | 179.5 | -70.4 | 167.1 | 0 | 0 | 0 | 111.9 | R219 F222 L277 A280 A284 L285 R286 | R219-L282 HydrophobicContact CB-CD1 3.94Å; R219-L282 HydrophobicContact CB-CD2 4.33Å; R219-L282 HydrophobicContact CB-CG 4.31Å; R219-L282 HydrophobicContact CG-CD1 4.43Å; R219-L282 HydrophobicContact CG-CD2 4.05Å; R219-L282 HydrophobicContact CG-CG 4.26Å; F222-L282 HydrophobicContact CB-CD2 4.13Å; F222-L282 HydrophobicContact CD1-CD2 3.86Å; F222-L282 HydrophobicContact CG-CD2 4.09Å; L277-L282 HydrophobicContact CD2-CB 4.04Å; L277-L282 HydrophobicContact CD2-CD1 3.77Å; L277-L282 PolarHBondContact O-N 2.91Å; A280-L282 HydrophobicContact CB-CD1 3.89Å; A280-L282 HydrophobicContact CB-CG 4.21Å; L282-A284 VanDerWaalsContact C-N 3.33Å; L282-A284 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CB-CB 4.38Å; L282-L285 HydrophobicContact CB-CD1 4.27Å; L282-L285 HydrophobicContact CD1-CD1 4.02Å; L282-L285 HydrophobicContact CD2-CD1 4.47Å; L282-L285 HydrophobicContact CG-CD1 4.49Å; L282-L285 PolarHBondContact O-N 2.85Å; L282-R286 PolarHBondContact O-N 2.77Å; L282-R286 VanDerWaalsContact O-N 3.07Å | ||
| 283 | P | 92.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 53% | 0.532 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -33.6 | -172.4 | 25.7 | -35.2 | 0 | 0 | 0 | 113.6 | H281 R286 K287 | H281-P283 WeakPolarHBondContact O-CD 3.44Å; P283-R286 PolarHBondContact O-N 2.97Å; P283-K287 WeakPolarHBondContact O-CG 3.47Å; P283-K287 PolarHBondContact O-N 2.78Å |
| 284 | A | 92.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 12% | 0.124 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F222 R248 A252 L282 K287 E288 | F222-A284 HydrophobicContact CE1-CB 4.48Å; F222-A284 HydrophobicContact CZ-CB 3.96Å; R248-A284 HydrophobicContact CG-CB 4.22Å; A252-A284 HydrophobicContact CB-CB 3.82Å; L282-A284 VanDerWaalsContact C-N 3.33Å; L282-A284 PolarHBondContact O-N 2.97Å; A284-K287 PolarHBondContact O-N 3.01Å; A284-E288 PolarHBondContact O-N 3Å |
| 285 | L | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69 | -34.8 | 175.4 | -70.1 | 169.9 | 0 | 0 | 0 | 111.9 | F222 A252 Y255 F256 L260 L277 L282 K287 E288 V289 | F222-L285 HydrophobicContact CD2-CD1 3.72Å; F222-L285 HydrophobicContact CD2-CD2 4.24Å; F222-L285 HydrophobicContact CD2-CG 3.96Å; F222-L285 HydrophobicContact CE2-CD1 4.19Å; F222-L285 HydrophobicContact CE2-CD2 4.09Å; F222-L285 HydrophobicContact CE2-CG 3.9Å; F222-L285 HydrophobicContact CG-CD1 4.19Å; A252-L285 HydrophobicContact CB-CD2 4.14Å; A252-L285 WeakPolarHBondContact O-CD2 3.41Å; Y255-L285 HydrophobicContact CD1-CD1 4.24Å; Y255-L285 HydrophobicContact CD1-CD2 4.04Å; F256-L285 HydrophobicContact CB-CD2 4.12Å; L260-L285 HydrophobicContact CD1-CD1 4.04Å; L260-L285 HydrophobicContact CD1-CD2 4.05Å; L260-L285 HydrophobicContact CD1-CG 4.45Å; L277-L285 HydrophobicContact CD1-CB 4Å; L277-L285 HydrophobicContact CD2-CB 3.95Å; L277-L285 HydrophobicContact CD2-CD1 4.03Å; L282-L285 HydrophobicContact CB-CB 4.38Å; L282-L285 HydrophobicContact CB-CD1 4.27Å; L282-L285 HydrophobicContact CD1-CD1 4.02Å; L282-L285 HydrophobicContact CD2-CD1 4.47Å; L282-L285 HydrophobicContact CG-CD1 4.49Å; L282-L285 PolarHBondContact O-N 2.85Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.96Å; L285-E288 PolarHBondContact O-N 3.3Å; L285-E288 VanDerWaalsContact O-N 3.11Å; L285-V289 WeakPolarHBondContact O-CG2 3.19Å; L285-V289 PolarHBondContact O-N 3.49Å |
| 286 | R | 94.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 18% | 0.181 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 173.2 | -169.2 | 178.9 | 68.4 | 172.4 | 2.4 | 111.9 | L282 P283 E288 V289 E290 Y317 L319 | L282-R286 PolarHBondContact O-N 2.77Å; L282-R286 VanDerWaalsContact O-N 3.07Å; P283-R286 PolarHBondContact O-N 2.97Å; R286-E288 VanDerWaalsContact C-N 3.33Å; R286-V289 PolarHBondContact O-N 2.94Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 PolarHBondContact O-N 2.79Å; R286-Y317 PolarHBondContact NH1-O 2.89Å; R286-L319 HydrophobicContact CG-CD2 3.55Å |
| 287 | K | 94.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -30.9 | 174.2 | -70.6 | -61.2 | -177.6 | -177.3 | 0 | 113.2 | L171 P172 P283 A284 L285 E290 R291 | L171-K287 HydrophobicContact CD2-CD 3.86Å; P172-K287 HydrophobicContact CG-CB 4.13Å; P172-K287 HydrophobicContact CG-CG 4.35Å; P283-K287 WeakPolarHBondContact O-CG 3.47Å; P283-K287 PolarHBondContact O-N 2.78Å; A284-K287 PolarHBondContact O-N 3.01Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.96Å; K287-E290 VanDerWaalsContact CD-OE2 3.23Å; K287-E290 WeakPolarHBondContact CD-OE2 3.29Å; K287-E290 IonicContact NZ-OE2 2.61Å; K287-E290 PolarHBondContact NZ-OE2 3.49Å; K287-E290 WeakPolarHBondContact O-CB 3.32Å; K287-E290 PolarHBondContact O-N 2.9Å; K287-R291 PolarHBondContact O-N 3.28Å |
| 288 | E | 94 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.8 | -33.5 | 173.5 | -66.8 | -57.3 | 121.5 | 0 | 0 | 112.8 | A252 H253 F256 A284 L285 R286 E290 R291 F292 | A252-E288 HydrophobicContact CB-CG 4.03Å; H253-E288 HydrophobicContact CB-CG 4.45Å; H253-E288 IonicContact CE1-OE2 3.41Å; H253-E288 IonicContact CG-OE2 3.69Å; H253-E288 IonicContact ND1-OE2 2.67Å; H253-E288 PolarHBondContact ND1-OE2 3.38Å; F256-E288 HydrophobicContact CB-CB 3.87Å; F256-E288 HydrophobicContact CD1-CB 4.12Å; F256-E288 HydrophobicContact CD2-CB 4.38Å; F256-E288 HydrophobicContact CG-CB 3.83Å; A284-E288 PolarHBondContact O-N 3Å; L285-E288 PolarHBondContact O-N 3.3Å; L285-E288 VanDerWaalsContact O-N 3.11Å; R286-E288 VanDerWaalsContact C-N 3.33Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E288-E290 PolarHBondContact O-N 3.45Å; E288-R291 WeakPolarHBondContact O-CB 3.5Å; E288-R291 PolarHBondContact O-N 2.86Å; E288-R291 IonicContact OE1-CZ 3.12Å; E288-R291 IonicContact OE1-NE 3.59Å; E288-R291 PolarHBondContact OE1-NE 3.44Å; E288-R291 IonicContact OE1-NH2 2.75Å; E288-R291 PolarHBondContact OE1-NH2 3.15Å; E288-R291 IonicContact OE2-NE 3.68Å; E288-R291 PolarHBondContact OE2-NE 2.9Å; E288-F292 WeakPolarHBondContact O-CB 3.32Å; E288-F292 PolarHBondContact O-N 2.97Å |
| 289 | V | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 167.8 | 176 | 0 | 0 | 0 | 0 | 110.7 | F256 F270 L273 V274 L277 L285 R286 F292 I293 | F256-V289 HydrophobicContact CD2-CG2 3.96Å; F256-V289 HydrophobicContact CE2-CB 4.28Å; F256-V289 HydrophobicContact CE2-CG2 3.5Å; F256-V289 HydrophobicContact CZ-CG2 4.4Å; F270-V289 HydrophobicContact CD2-CG1 3.85Å; F270-V289 HydrophobicContact CE2-CG1 3.36Å; F270-V289 HydrophobicContact CZ-CG1 4.24Å; L273-V289 HydrophobicContact CD2-CG2 3.86Å; L273-V289 HydrophobicContact CG-CG2 4.04Å; V274-V289 HydrophobicContact CG2-CG1 3.56Å; L277-V289 HydrophobicContact CD1-CG2 3.59Å; L285-V289 WeakPolarHBondContact O-CG2 3.19Å; L285-V289 PolarHBondContact O-N 3.49Å; R286-V289 PolarHBondContact O-N 2.94Å; V289-F292 PolarHBondContact O-N 3.15Å; V289-I293 WeakPolarHBondContact O-CG2 3.35Å; V289-I293 PolarHBondContact O-N 3.41Å; V289-I293 VanDerWaalsContact O-N 3.15Å |
| 290 | E | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.3 | -170.3 | 167.5 | -150.6 | 0 | 0 | 111.6 | L171 R286 K287 E288 I293 C294 L319 E320 I321 L322 | L171-E290 HydrophobicContact CD2-CB 4.31Å; L171-E290 HydrophobicContact CD2-CG 4.06Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 PolarHBondContact O-N 2.79Å; K287-E290 VanDerWaalsContact CD-OE2 3.23Å; K287-E290 WeakPolarHBondContact CD-OE2 3.29Å; K287-E290 IonicContact NZ-OE2 2.61Å; K287-E290 PolarHBondContact NZ-OE2 3.49Å; K287-E290 WeakPolarHBondContact O-CB 3.32Å; K287-E290 PolarHBondContact O-N 2.9Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E288-E290 PolarHBondContact O-N 3.45Å; E290-I293 WeakPolarHBondContact O-CG2 3.48Å; E290-C294 VanDerWaalsContact O-CB 3.28Å; E290-C294 WeakPolarHBondContact O-CB 3.39Å; E290-C294 PolarHBondContact O-N 2.99Å; E290-C294 PolarHBondContact O-SG 2.74Å; E290-L319 HydrophobicContact CG-CB 4.45Å; E290-L319 WeakPolarHBondContact OE1-CA 3.45Å; E290-E320 PolarHBondContact OE1-N 2.82Å; E290-E320 VanDerWaalsContact OE1-N 3.12Å; E290-I321 HydrophobicContact CG-CB 4.28Å; E290-I321 WeakPolarHBondContact OE1-CA 3.38Å; E290-I321 WeakPolarHBondContact OE1-CB 3.48Å; E290-I321 PolarHBondContact OE1-N 2.9Å; E290-L322 HydrophobicContact CG-CB 3.96Å; E290-L322 PolarHBondContact OE1-N 3.23Å |
| 291 | R | 93.3 | Very high | 88.4 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -52.1 | 173.7 | -172.5 | -172.9 | -54.3 | -69.8 | -12.5 | 112.1 | L168 L171 P172 V174 K287 E288 I293 C294 Q295 | L168-R291 HydrophobicContact CD2-CG 4.25Å; L171-R291 VanDerWaalsContact CD1-CA 3.41Å; L171-R291 HydrophobicContact CD1-CB 3.69Å; L171-R291 HydrophobicContact CD1-CG 4.16Å; P172-R291 PolarHBondContact O-NH2 2.99Å; V174-R291 VanDerWaalsContact CG2-CZ 3.48Å; K287-R291 PolarHBondContact O-N 3.28Å; E288-R291 WeakPolarHBondContact O-CB 3.5Å; E288-R291 PolarHBondContact O-N 2.86Å; E288-R291 IonicContact OE1-CZ 3.12Å; E288-R291 IonicContact OE1-NE 3.59Å; E288-R291 PolarHBondContact OE1-NE 3.44Å; E288-R291 IonicContact OE1-NH2 2.75Å; E288-R291 PolarHBondContact OE1-NH2 3.15Å; E288-R291 IonicContact OE2-NE 3.68Å; E288-R291 PolarHBondContact OE2-NE 2.9Å; R291-I293 VanDerWaalsContact C-N 3.33Å; R291-I293 PolarHBondContact O-N 2.74Å; R291-C294 PolarHBondContact O-N 3.18Å; R291-Q295 WeakPolarHBondContact O-CG 3.45Å; R291-Q295 PolarHBondContact O-N 3.09Å |
| 292 | F | 92 | Very high | 87.9 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | -176.5 | 169.2 | -101.7 | 0 | 0 | 0 | 111.8 | F256 I264 E288 V289 K296 | F256-F292 HydrophobicContact CE1-CB 3.59Å; F256-F292 HydrophobicContact CE1-CD2 4.13Å; F256-F292 AromaticContact CE1-CG 3.93Å; F256-F292 HydrophobicContact CE1-CG 3.93Å; F256-F292 HydrophobicContact CZ-CB 3.64Å; F256-F292 HydrophobicContact CZ-CD1 4.22Å; F256-F292 HydrophobicContact CZ-CD2 4.35Å; F256-F292 AromaticContact CZ-CG 3.82Å; F256-F292 HydrophobicContact CZ-CG 3.82Å; I264-F292 HydrophobicContact CD1-CD1 4.05Å; I264-F292 HydrophobicContact CD1-CE1 3.9Å; I264-F292 HydrophobicContact CG2-CE1 4.2Å; E288-F292 WeakPolarHBondContact O-CB 3.32Å; E288-F292 PolarHBondContact O-N 2.97Å; V289-F292 PolarHBondContact O-N 3.15Å; F292-K296 PolarHBondContact O-N 3.19Å |
| 293 | I | 91.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75 | -36 | -178.8 | -164.8 | 66.6 | 0 | 0 | 0 | 111.7 | F270 V289 E290 R291 Q295 K296 V297 F306 L310 L322 | F270-I293 HydrophobicContact CE2-CB 3.92Å; F270-I293 HydrophobicContact CE2-CG1 4.2Å; F270-I293 HydrophobicContact CE2-CG2 3.92Å; F270-I293 HydrophobicContact CZ-CB 4.35Å; F270-I293 HydrophobicContact CZ-CG1 4.34Å; F270-I293 HydrophobicContact CZ-CG2 4.05Å; V289-I293 WeakPolarHBondContact O-CG2 3.35Å; V289-I293 PolarHBondContact O-N 3.41Å; V289-I293 VanDerWaalsContact O-N 3.15Å; E290-I293 WeakPolarHBondContact O-CG2 3.48Å; R291-I293 VanDerWaalsContact C-N 3.33Å; R291-I293 PolarHBondContact O-N 2.74Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 3.13Å; I293-K296 PolarHBondContact O-N 2.93Å; I293-V297 WeakPolarHBondContact O-CB 3.15Å; I293-V297 WeakPolarHBondContact O-CG2 3.31Å; I293-V297 PolarHBondContact O-N 2.94Å; I293-F306 HydrophobicContact CD1-CE1 4.3Å; I293-F306 HydrophobicContact CD1-CZ 4.11Å; I293-L310 HydrophobicContact CD1-CD1 4.32Å; I293-L310 HydrophobicContact CD1-CD2 4.3Å; I293-L310 HydrophobicContact CG1-CD1 3.96Å; I293-L310 HydrophobicContact CG1-CD2 3.9Å; I293-L322 HydrophobicContact CG2-CD1 3.79Å; I293-L322 HydrophobicContact CG2-CD2 3.52Å; I293-L322 HydrophobicContact CG2-CG 4.18Å |
| 294 | C | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 172.3 | -78.6 | 0 | 0 | 0 | 0 | 112.1 | L168 E290 R291 K296 V297 I298 | L168-C294 HydrophobicContact CD2-CB 3.99Å; E290-C294 VanDerWaalsContact O-CB 3.28Å; E290-C294 WeakPolarHBondContact O-CB 3.39Å; E290-C294 PolarHBondContact O-N 2.99Å; E290-C294 PolarHBondContact O-SG 2.74Å; R291-C294 PolarHBondContact O-N 3.18Å; C294-K296 PolarHBondContact O-N 3.43Å; C294-V297 PolarHBondContact O-N 3.36Å; C294-I298 WeakPolarHBondContact O-CB 3.48Å; C294-I298 WeakPolarHBondContact O-CD1 3.41Å; C294-I298 WeakPolarHBondContact O-CG1 3.41Å; C294-I298 PolarHBondContact O-N 2.86Å |
| 295 | Q | 88.6 | Confident | 87.2 | Confident | 71 Ų | 71 | 44 Ų | 44 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 175 | -76.7 | 172.8 | -28.2 | 0 | 0 | 111.4 | L168 R291 I293 V297 I298 E299 | L168-Q295 HydrophobicContact CD1-CG 3.71Å; L168-Q295 HydrophobicContact CD2-CG 3.96Å; L168-Q295 HydrophobicContact CG-CG 4.5Å; R291-Q295 WeakPolarHBondContact O-CG 3.45Å; R291-Q295 PolarHBondContact O-N 3.09Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 3.13Å; Q295-V297 VanDerWaalsContact C-N 3.29Å; Q295-V297 PolarHBondContact O-N 3.21Å; Q295-I298 PolarHBondContact O-N 3.01Å; Q295-E299 WeakPolarHBondContact O-CB 3.46Å; Q295-E299 VanDerWaalsContact O-CG 3.28Å; Q295-E299 WeakPolarHBondContact O-CG 3.26Å; Q295-E299 PolarHBondContact O-N 3.04Å |
| 296 | K | 84.4 | Confident | 87 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -37.3 | 176.3 | -71.6 | -69.7 | -175.4 | -179.8 | 0 | 112.9 | F292 I293 C294 A300 A430 | F292-K296 PolarHBondContact O-N 3.19Å; I293-K296 PolarHBondContact O-N 2.93Å; C294-K296 PolarHBondContact O-N 3.43Å; K296-A300 WeakPolarHBondContact O-CB 3.27Å; K296-A300 PolarHBondContact O-N 3.23Å; K296-A430 PolarHBondContact NZ-OXT 3.5Å |
| 297 | V | 84.1 | Confident | 86.9 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 177.4 | 165.4 | 0 | 0 | 0 | 0 | 111.8 | I293 C294 Q295 M302 L310 L322 V325 I326 | I293-V297 WeakPolarHBondContact O-CB 3.15Å; I293-V297 WeakPolarHBondContact O-CG2 3.31Å; I293-V297 PolarHBondContact O-N 2.94Å; C294-V297 PolarHBondContact O-N 3.36Å; Q295-V297 VanDerWaalsContact C-N 3.29Å; Q295-V297 PolarHBondContact O-N 3.21Å; V297-M302 HydrophobicContact CB-CE 4.32Å; V297-M302 HydrophobicContact CB-SD 4.36Å; V297-M302 HydrophobicContact CG1-CE 3.41Å; V297-M302 VanDerWaalsContact CG1-CE 3.41Å; V297-M302 HydrophobicContact CG1-SD 4.05Å; V297-M302 HydrophobicContact CG2-CE 4.19Å; V297-M302 HydrophobicContact CG2-SD 3.68Å; V297-L310 HydrophobicContact CG2-CD1 3.98Å; V297-L322 HydrophobicContact CG2-CD1 4.47Å; V297-V325 HydrophobicContact CG1-CG1 3.63Å; V297-I326 HydrophobicContact CG1-CD1 4.08Å; V297-I326 HydrophobicContact CG2-CD1 3.95Å |
| 298 | I | 80.4 | Confident | 86.8 | Confident | 75 Ų | 75 | 41.6 Ų | 41.6 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.9 | -36.8 | -180 | -66.4 | 160.8 | 0 | 0 | 0 | 111 | P167 L168 C294 Q295 | P167-I298 HydrophobicContact CB-CD1 4.15Å; P167-I298 HydrophobicContact CG-CD1 3.79Å; P167-I298 HydrophobicContact CG-CG1 4.36Å; L168-I298 HydrophobicContact CD2-CD1 4.36Å; L168-I298 HydrophobicContact CG-CD1 4.29Å; C294-I298 WeakPolarHBondContact O-CB 3.48Å; C294-I298 WeakPolarHBondContact O-CD1 3.41Å; C294-I298 WeakPolarHBondContact O-CG1 3.41Å; C294-I298 PolarHBondContact O-N 2.86Å; Q295-I298 PolarHBondContact O-N 3.01Å |
| 299 | E | 76.4 | Confident | 86.8 | Confident | 149 Ų | 149 | 43.6 Ų | 43.6 | 70% | 0.696 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -79.3 | -25.4 | -177.1 | -71.8 | 172.8 | -176.4 | 0 | 0 | 114 | Q295 | Q295-E299 WeakPolarHBondContact O-CB 3.46Å; Q295-E299 VanDerWaalsContact O-CG 3.28Å; Q295-E299 WeakPolarHBondContact O-CG 3.26Å; Q295-E299 PolarHBondContact O-N 3.04Å |
| 300 | A | 67.4 | Low | 86.7 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -107 | 148.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K296 M302 | K296-A300 WeakPolarHBondContact O-CB 3.27Å; K296-A300 PolarHBondContact O-N 3.23Å; A300-M302 PolarHBondContact O-N 3.02Å |
| 301 | D | 71.3 | Confident | 86.7 | Confident | 165 Ų | 165 | 43.6 Ų | 43.6 | 88% | 0.882 | 23% | 0.228 | S | C | * | . | trans | -70.5 | 86.3 | 158.7 | -170.6 | 21.5 | 0 | 0 | 0 | 107.9 | D303 | D301-D303 PolarHBondContact O-N 2.82Š| ||
| 302 | M | 81.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | trans | -66.2 | 131.1 | -170.8 | 175.7 | 171.1 | 42.1 | 0 | 0 | 111.1 | V297 A300 P304 F306 A307 L310 I326 F329 | V297-M302 HydrophobicContact CB-CE 4.32Å; V297-M302 HydrophobicContact CB-SD 4.36Å; V297-M302 HydrophobicContact CG1-CE 3.41Å; V297-M302 VanDerWaalsContact CG1-CE 3.41Å; V297-M302 HydrophobicContact CG1-SD 4.05Å; V297-M302 HydrophobicContact CG2-CE 4.19Å; V297-M302 HydrophobicContact CG2-SD 3.68Å; A300-M302 PolarHBondContact O-N 3.02Å; M302-P304 WeakPolarHBondContact O-CD 3.44Å; M302-F306 HydrophobicContact CG-CD1 4.09Å; M302-F306 HydrophobicContact SD-CD1 4.2Å; M302-A307 HydrophobicContact CE-CB 3.87Å; M302-A307 HydrophobicContact CG-CB 4.09Å; M302-A307 HydrophobicContact SD-CB 3.67Å; M302-L310 HydrophobicContact SD-CD1 4.19Å; M302-I326 HydrophobicContact CE-CD1 3.6Å; M302-I326 HydrophobicContact SD-CD1 3.7Å; M302-F329 HydrophobicContact CB-CE1 4.41Å; M302-F329 HydrophobicContact CB-CE2 4.23Å; M302-F329 HydrophobicContact CB-CZ 3.91Å; M302-F329 HydrophobicContact CE-CB 4.14Å; M302-F329 HydrophobicContact CE-CD1 3.49Å; M302-F329 VanDerWaalsContact CE-CD1 3.49Å; M302-F329 HydrophobicContact CE-CD2 3.83Å; M302-F329 HydrophobicContact CE-CE1 3.68Å; M302-F329 HydrophobicContact CE-CE2 4.04Å; M302-F329 HydrophobicContact CE-CG 3.54Å; M302-F329 HydrophobicContact CE-CZ 3.95Å; M302-F329 HydrophobicContact CG-CE1 4.45Å; M302-F329 HydrophobicContact CG-CZ 4.42Å; M302-F329 VanDerWaalsContact O-CZ 3.26Å; M302-F329 WeakPolarHBondContact O-CZ 3.3Å | ||
| 303 | D | 86.6 | Confident | 86.8 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | trans | -60.5 | 127.2 | 172.4 | 170.6 | 56.1 | 0 | 0 | 0 | 110.9 | D301 S305 F306 A307 | D301-D303 PolarHBondContact O-N 2.82Å; D303-S305 PolarHBondContact O-N 3.05Å; D303-S305 VanDerWaalsContact OD2-CB 3.24Å; D303-S305 WeakPolarHBondContact OD2-CB 3.31Å; D303-S305 PolarHBondContact OD2-N 3.45Å; D303-F306 HydrophobicContact CB-CB 4.06Å; D303-F306 WeakPolarHBondContact O-CB 3.33Å; D303-F306 PolarHBondContact O-N 2.8Å; D303-F306 PolarHBondContact OD2-N 2.82Å; D303-A307 PolarHBondContact O-N 2.91Å | ||
| 304 | P | 87.3 | Confident | 87 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.3 | -30.5 | -179.4 | -24.9 | 32 | 0 | 0 | 0 | 114.1 | M302 K308 | M302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-K308 VanDerWaalsContact O-CD 3.3Å; P304-K308 WeakPolarHBondContact O-CD 3.42Å; P304-K308 VanDerWaalsContact O-CG 3.22Å; P304-K308 WeakPolarHBondContact O-CG 3.37Å; P304-K308 PolarHBondContact O-N 2.87Å; P304-K308 VanDerWaalsContact O-N 3.11Å |
| 305 | S | 89.3 | Confident | 87.1 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.3 | -43.1 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | D303 A307 K308 K309 M354 | D303-S305 PolarHBondContact O-N 3.05Å; D303-S305 VanDerWaalsContact OD2-CB 3.24Å; D303-S305 WeakPolarHBondContact OD2-CB 3.31Å; D303-S305 PolarHBondContact OD2-N 3.45Å; S305-A307 PolarHBondContact O-N 2.99Å; S305-K308 PolarHBondContact O-N 3.35Å; S305-K309 PolarHBondContact O-N 2.78Å; S305-K309 VanDerWaalsContact O-N 3.13Å; S305-M354 WeakPolarHBondContact OG-CE 3.39Å |
| 306 | F | 90 | Very high | 87.2 | Confident | 34 Ų | 34 | 43 Ų | 43 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 171.3 | -172.9 | -114.6 | 0 | 0 | 0 | 112.8 | F267 I293 M302 D303 K308 K309 L310 L429 | F267-F306 HydrophobicContact CB-CE2 4.42Å; F267-F306 HydrophobicContact CD2-CD2 4.32Å; F267-F306 AromaticContact CD2-CE2 3.71Å; F267-F306 HydrophobicContact CD2-CE2 3.71Å; F267-F306 HydrophobicContact CE2-CE2 4.49Å; F267-F306 HydrophobicContact CG-CE2 4.46Å; I293-F306 HydrophobicContact CD1-CE1 4.3Å; I293-F306 HydrophobicContact CD1-CZ 4.11Å; M302-F306 HydrophobicContact CG-CD1 4.09Å; M302-F306 HydrophobicContact SD-CD1 4.2Å; D303-F306 HydrophobicContact CB-CB 4.06Å; D303-F306 WeakPolarHBondContact O-CB 3.33Å; D303-F306 PolarHBondContact O-N 2.8Å; D303-F306 PolarHBondContact OD2-N 2.82Å; F306-K308 VanDerWaalsContact C-N 3.35Å; F306-K308 PolarHBondContact O-N 2.78Å; F306-K309 PolarHBondContact O-N 3.46Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CD1-CG 4.34Å; F306-L310 HydrophobicContact CE1-CD1 3.41Å; F306-L310 VanDerWaalsContact CE1-CD1 3.41Å; F306-L310 HydrophobicContact CE1-CG 4.03Å; F306-L310 HydrophobicContact CE2-CG 4.48Å; F306-L310 HydrophobicContact CZ-CD1 3.91Å; F306-L310 HydrophobicContact CZ-CD2 4.19Å; F306-L310 HydrophobicContact CZ-CG 4.09Å; F306-L310 PolarHBondContact O-N 3.39Å; F306-L429 HydrophobicContact CE1-CD2 4.42Å; F306-L429 HydrophobicContact CE2-CD1 4.39Å; F306-L429 HydrophobicContact CZ-CD1 3.94Å; F306-L429 HydrophobicContact CZ-CD2 4.36Å |
| 307 | A | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M302 D303 S305 K309 L310 L311 I326 F329 L330 | M302-A307 HydrophobicContact CE-CB 3.87Å; M302-A307 HydrophobicContact CG-CB 4.09Å; M302-A307 HydrophobicContact SD-CB 3.67Å; D303-A307 PolarHBondContact O-N 2.91Å; S305-A307 PolarHBondContact O-N 2.99Å; A307-K309 VanDerWaalsContact C-N 3.34Å; A307-K309 PolarHBondContact O-N 3.21Å; A307-L310 PolarHBondContact O-N 3.04Å; A307-L311 PolarHBondContact O-N 3.47Å; A307-I326 HydrophobicContact CB-CG2 4.28Å; A307-I326 WeakPolarHBondContact O-CG2 3.26Å; A307-F329 HydrophobicContact CB-CD1 3.85Å; A307-F329 HydrophobicContact CB-CE1 3.77Å; A307-L330 HydrophobicContact CB-CD2 4.03Å; A307-L330 HydrophobicContact CB-CG 4.48Å |
| 308 | K | 93.6 | Very high | 88 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.2 | -71.3 | 160.2 | -166.2 | 171.9 | 0 | 112.2 | P304 S305 F306 L311 L312 L330 E350 L351 M354 | P304-K308 VanDerWaalsContact O-CD 3.3Å; P304-K308 WeakPolarHBondContact O-CD 3.42Å; P304-K308 VanDerWaalsContact O-CG 3.22Å; P304-K308 WeakPolarHBondContact O-CG 3.37Å; P304-K308 PolarHBondContact O-N 2.87Å; P304-K308 VanDerWaalsContact O-N 3.11Å; S305-K308 PolarHBondContact O-N 3.35Å; F306-K308 VanDerWaalsContact C-N 3.35Å; F306-K308 PolarHBondContact O-N 2.78Å; K308-L311 WeakPolarHBondContact O-CB 3.24Å; K308-L311 PolarHBondContact O-N 3.04Å; K308-L312 PolarHBondContact O-N 3.2Å; K308-L330 HydrophobicContact CG-CD1 4.23Å; K308-L330 HydrophobicContact CG-CD2 4.37Å; K308-E350 HydrophobicContact CD-CB 4.33Å; K308-E350 WeakPolarHBondContact CD-OE2 3.22Å; K308-E350 WeakPolarHBondContact CE-OE2 3.47Å; K308-E350 IonicContact NZ-OE1 2.58Å; K308-E350 IonicContact NZ-OE2 3.82Å; K308-E350 PolarHBondContact NZ-OE2 2.72Å; K308-L351 HydrophobicContact CB-CD2 3.77Å; K308-L351 HydrophobicContact CG-CD2 4.18Å; K308-M354 HydrophobicContact CB-CE 4.25Å; K308-M354 HydrophobicContact CB-SD 3.64Å; K308-M354 HydrophobicContact CD-CE 4.15Å |
| 309 | K | 92.8 | Very high | 88.6 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 175 | -66.8 | -168.6 | 175.4 | -159.2 | 0 | 112 | F267 S305 F306 A307 L311 L312 V313 M354 E357 I358 | F267-K309 HydrophobicContact CE1-CB 4.24Å; F267-K309 HydrophobicContact CE1-CD 4.33Å; F267-K309 HydrophobicContact CE2-CB 3.82Å; F267-K309 HydrophobicContact CZ-CB 3.58Å; F267-K309 HydrophobicContact CZ-CD 4.49Å; S305-K309 PolarHBondContact O-N 2.78Å; S305-K309 VanDerWaalsContact O-N 3.13Å; F306-K309 PolarHBondContact O-N 3.46Å; A307-K309 VanDerWaalsContact C-N 3.34Å; A307-K309 PolarHBondContact O-N 3.21Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.49Å; K309-L312 PolarHBondContact O-N 3.48Å; K309-V313 WeakPolarHBondContact O-CG2 3.26Å; K309-V313 PolarHBondContact O-N 2.81Å; K309-V313 VanDerWaalsContact O-N 3.14Å; K309-M354 HydrophobicContact CG-CB 4.39Å; K309-M354 HydrophobicContact CG-CG 4.26Å; K309-M354 HydrophobicContact CG-SD 3.62Å; K309-E357 IonicContact NZ-OE2 3.37Å; K309-E357 PolarHBondContact NZ-OE2 2.92Å; K309-I358 HydrophobicContact CB-CD1 4.2Å; K309-I358 HydrophobicContact CG-CD1 4.26Å |
| 310 | L | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -35.7 | 174.2 | -73.2 | 178.3 | 0 | 0 | 0 | 112.2 | F267 F270 I293 V297 M302 F306 A307 V313 S314 L322 I326 | F267-L310 HydrophobicContact CE2-CD2 4.1Å; F270-L310 HydrophobicContact CD1-CD2 4.29Å; F270-L310 HydrophobicContact CE1-CD2 3.73Å; F270-L310 HydrophobicContact CZ-CD2 4.17Å; I293-L310 HydrophobicContact CD1-CD1 4.32Å; I293-L310 HydrophobicContact CD1-CD2 4.3Å; I293-L310 HydrophobicContact CG1-CD1 3.96Å; I293-L310 HydrophobicContact CG1-CD2 3.9Å; V297-L310 HydrophobicContact CG2-CD1 3.98Å; M302-L310 HydrophobicContact SD-CD1 4.19Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CD1-CG 4.34Å; F306-L310 HydrophobicContact CE1-CD1 3.41Å; F306-L310 VanDerWaalsContact CE1-CD1 3.41Å; F306-L310 HydrophobicContact CE1-CG 4.03Å; F306-L310 HydrophobicContact CE2-CG 4.48Å; F306-L310 HydrophobicContact CZ-CD1 3.91Å; F306-L310 HydrophobicContact CZ-CD2 4.19Å; F306-L310 HydrophobicContact CZ-CG 4.09Å; F306-L310 PolarHBondContact O-N 3.39Å; A307-L310 PolarHBondContact O-N 3.04Å; L310-V313 PolarHBondContact O-N 2.89Å; L310-S314 VanDerWaalsContact O-CB 3.25Å; L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.28Å; L310-S314 PolarHBondContact O-OG 3.46Å; L310-S314 VanDerWaalsContact O-OG 3.07Å; L310-L322 HydrophobicContact CD2-CD2 4.48Å; L310-I326 HydrophobicContact CB-CD1 4.18Å; L310-I326 HydrophobicContact CB-CG1 4.13Å; L310-I326 HydrophobicContact CD1-CD1 3.98Å |
| 311 | L | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.9 | -170.3 | 50 | 0 | 0 | 0 | 111.8 | A307 K308 K309 V313 S314 E315 K323 I326 N327 L330 V371 L375 | A307-L311 PolarHBondContact O-N 3.47Å; K308-L311 WeakPolarHBondContact O-CB 3.24Å; K308-L311 PolarHBondContact O-N 3.04Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.49Å; L311-V313 PolarHBondContact O-N 3.42Å; L311-S314 WeakPolarHBondContact CA-OG 3.49Å; L311-S314 PolarHBondContact O-N 3.5Å; L311-S314 PolarHBondContact O-OG 2.76Å; L311-E315 PolarHBondContact O-N 2.88Å; L311-K323 HydrophobicContact CD1-CG 3.96Å; L311-I326 HydrophobicContact CB-CG2 3.69Å; L311-I326 HydrophobicContact CD1-CB 4.42Å; L311-I326 HydrophobicContact CD1-CG2 4.16Å; L311-I326 HydrophobicContact CD2-CG2 4.39Å; L311-I326 HydrophobicContact CG-CG2 4.3Å; L311-N327 WeakPolarHBondContact CD1-OD1 3.41Å; L311-L330 HydrophobicContact CD2-CD1 3.62Å; L311-V371 HydrophobicContact CD1-CG1 4.38Å; L311-V371 HydrophobicContact CD2-CG1 3.29Å; L311-V371 HydrophobicContact CG-CG1 3.5Å; L311-V371 VanDerWaalsContact CG-CG1 3.5Å; L311-V371 HydrophobicContact CG-CG2 4.25Å; L311-L375 HydrophobicContact CD2-CD1 3.89Å; L311-L375 HydrophobicContact CD2-CD2 4.33Å; L311-L375 HydrophobicContact CD2-CG 4.22Å |
| 312 | L | 93.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 176.8 | -65.5 | 171.5 | 0 | 0 | 0 | 111.9 | K308 K309 E315 K316 L351 M354 A355 I358 L367 V368 | K308-L312 PolarHBondContact O-N 3.2Å; K309-L312 PolarHBondContact O-N 3.48Å; L312-E315 PolarHBondContact O-N 3.34Å; L312-K316 WeakPolarHBondContact O-CB 3.22Å; L312-K316 PolarHBondContact O-N 2.88Å; L312-L351 HydrophobicContact CD1-CD2 4.09Å; L312-L351 HydrophobicContact CD2-CD2 4Å; L312-L351 HydrophobicContact CG-CD2 3.83Å; L312-M354 HydrophobicContact CD1-CB 3.94Å; L312-A355 HydrophobicContact CD1-CB 4Å; L312-A355 HydrophobicContact CD2-CB 4.48Å; L312-I358 HydrophobicContact CB-CD1 4.2Å; L312-I358 HydrophobicContact CD1-CD1 3.92Å; L312-L367 HydrophobicContact CB-CD2 4.46Å; L312-L367 HydrophobicContact CD2-CD2 4.22Å; L312-L367 HydrophobicContact CD2-CG 4.34Å; L312-V368 HydrophobicContact CD2-CG2 4.04Å |
| 313 | V | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 178.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | F267 F270 V271 K309 L310 L311 K316 Y317 I358 | F267-V313 HydrophobicContact CE1-CG2 4.44Å; F267-V313 HydrophobicContact CE2-CG2 4.21Å; F267-V313 HydrophobicContact CZ-CG2 3.56Å; F270-V313 HydrophobicContact CD1-CG1 4.43Å; F270-V313 HydrophobicContact CE1-CG1 3.78Å; V271-V313 HydrophobicContact CG2-CG1 4.36Å; V271-V313 HydrophobicContact CG2-CG2 3.81Å; K309-V313 WeakPolarHBondContact O-CG2 3.26Å; K309-V313 PolarHBondContact O-N 2.81Å; K309-V313 VanDerWaalsContact O-N 3.14Å; L310-V313 PolarHBondContact O-N 2.89Å; L311-V313 PolarHBondContact O-N 3.42Å; V313-K316 PolarHBondContact O-N 3.31Å; V313-Y317 HydrophobicContact CG1-CD2 3.69Å; V313-Y317 HydrophobicContact CG1-CE2 4.03Å; V313-Y317 WeakPolarHBondContact O-CD2 3.26Å; V313-Y317 PolarHBondContact O-N 2.82Å; V313-I358 HydrophobicContact CG2-CD1 4.48Å; V313-I358 HydrophobicContact CG2-CG2 4.25Å |
| 314 | S | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 179.2 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | L310 L311 N318 L319 K323 | L310-S314 VanDerWaalsContact O-CB 3.25Å; L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.28Å; L310-S314 PolarHBondContact O-OG 3.46Å; L310-S314 VanDerWaalsContact O-OG 3.07Å; L311-S314 WeakPolarHBondContact CA-OG 3.49Å; L311-S314 PolarHBondContact O-N 3.5Å; L311-S314 PolarHBondContact O-OG 2.76Å; S314-N318 CarbonylContact O-C 3.56Å; S314-N318 WeakPolarHBondContact O-CA 3.4Å; S314-N318 PolarHBondContact O-N 2.82Å; S314-L319 PolarHBondContact O-N 2.92Å; S314-K323 WeakPolarHBondContact OG-CA 3.3Å; S314-K323 WeakPolarHBondContact OG-CB 3.41Å |
| 315 | E | 93.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 25.2 Ų | 25.2 | 23% | 0.229 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -50 | 172.6 | -179.7 | 65.7 | -176.4 | 0 | 0 | 111.2 | L311 L312 Y317 N318 K323 L367 V371 | L311-E315 PolarHBondContact O-N 2.88Å; L312-E315 PolarHBondContact O-N 3.34Å; E315-Y317 VanDerWaalsContact C-N 3.34Å; E315-Y317 PolarHBondContact O-N 2.98Å; E315-N318 PolarHBondContact O-N 3.23Å; E315-K323 IonicContact OE1-NZ 2.72Å; E315-K323 WeakPolarHBondContact OE2-CD 3.41Å; E315-K323 WeakPolarHBondContact OE2-CE 3.23Å; E315-K323 IonicContact OE2-NZ 2.88Å; E315-K323 PolarHBondContact OE2-NZ 3.48Å; E315-L367 HydrophobicContact CB-CD1 3.77Å; E315-L367 HydrophobicContact CG-CD1 3.36Å; E315-V371 HydrophobicContact CB-CG2 3.8Å; E315-V371 HydrophobicContact CG-CG2 3.93Å |
| 316 | K | 91 | Very high | 93.4 | Very high | 77 Ų | 77 | 23.1 Ų | 23.1 | 34% | 0.335 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58 | -44.1 | -177.1 | -179.9 | 179.1 | -171.3 | 152.4 | 0 | 113.1 | L312 V313 E360 L367 | L312-K316 WeakPolarHBondContact O-CB 3.22Å; L312-K316 PolarHBondContact O-N 2.88Å; V313-K316 PolarHBondContact O-N 3.31Å; K316-E360 WeakPolarHBondContact CD-OE1 3.21Å; K316-E360 WeakPolarHBondContact CE-OE1 3.24Å; K316-E360 IonicContact NZ-OE1 3.45Å; K316-E360 PolarHBondContact NZ-OE1 3.09Å; K316-L367 HydrophobicContact CB-CD1 4.24Å |
| 317 | Y | 92.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 22 Ų | 22 | 7% | 0.071 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 10.2 | -174.6 | -61.5 | -67.7 | 0 | 0 | 0 | 113.9 | V271 V274 E275 T278 R286 V313 E315 | V271-Y317 HydrophobicContact CG1-CE2 4.39Å; V274-Y317 HydrophobicContact CB-CD2 4.34Å; V274-Y317 VanDerWaalsContact CG1-CB 3.41Å; V274-Y317 HydrophobicContact CG1-CD1 4.19Å; V274-Y317 HydrophobicContact CG1-CD2 3.54Å; V274-Y317 HydrophobicContact CG1-CE2 4.33Å; V274-Y317 HydrophobicContact CG1-CG 3.46Å; V274-Y317 VanDerWaalsContact CG1-CG 3.46Å; E275-Y317 HydrophobicContact CB-CE1 3.96Å; E275-Y317 WeakPolarHBondContact CB-OH 3.26Å; E275-Y317 HydrophobicContact CG-CE1 4.09Å; E275-Y317 WeakPolarHBondContact CG-OH 3.46Å; T278-Y317 HydrophobicContact CG2-CD1 4.36Å; R286-Y317 PolarHBondContact NH1-O 2.89Å; V313-Y317 HydrophobicContact CG1-CD2 3.69Å; V313-Y317 HydrophobicContact CG1-CE2 4.03Å; V313-Y317 WeakPolarHBondContact O-CD2 3.26Å; V313-Y317 PolarHBondContact O-N 2.82Å; E315-Y317 VanDerWaalsContact C-N 3.34Å; E315-Y317 PolarHBondContact O-N 2.98Å |
| 318 | N | 92.2 | Very high | 93.5 | Very high | 76 Ų | 76 | 22 Ų | 22 | 41% | 0.406 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 52.5 | -179.8 | -162.5 | 46.8 | 0 | 0 | 0 | 113.3 | S314 E315 E320 | S314-N318 CarbonylContact O-C 3.56Å; S314-N318 WeakPolarHBondContact O-CA 3.4Å; S314-N318 PolarHBondContact O-N 2.82Å; E315-N318 PolarHBondContact O-N 3.23Å; N318-E320 PolarHBondContact ND2-OE1 2.72Å; N318-E320 PolarHBondContact O-N 3.13Å |
| 319 | L | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -89.8 | 76.9 | 171.1 | -52 | 178.5 | 0 | 0 | 0 | 108.7 | F270 V274 R286 E290 S314 I321 L322 K323 | F270-L319 HydrophobicContact CZ-CD1 4.23Å; V274-L319 HydrophobicContact CG1-CD1 4.15Å; V274-L319 HydrophobicContact CG1-CD2 4.33Å; V274-L319 HydrophobicContact CG2-CD1 4.25Å; R286-L319 HydrophobicContact CG-CD2 3.55Å; E290-L319 HydrophobicContact CG-CB 4.45Å; E290-L319 WeakPolarHBondContact OE1-CA 3.45Å; S314-L319 PolarHBondContact O-N 2.92Å; L319-I321 PolarHBondContact O-N 3.3Å; L319-L322 HydrophobicContact CB-CB 4.06Å; L319-L322 HydrophobicContact CB-CD2 4.42Å; L319-L322 HydrophobicContact CD1-CD2 3.89Å; L319-L322 PolarHBondContact O-N 3.47Å; L319-K323 VanDerWaalsContact O-CB 3.3Å; L319-K323 WeakPolarHBondContact O-CB 3.33Å; L319-K323 PolarHBondContact O-N 2.91Å | ||
| 320 | E | 93.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 20.5 Ų | 20.5 | 51% | 0.509 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -58.8 | -42.1 | -168.7 | -64 | 174.1 | -172.3 | 0 | 0 | 114.9 | E290 N318 M324 | E290-E320 PolarHBondContact OE1-N 2.82Å; E290-E320 VanDerWaalsContact OE1-N 3.12Å; N318-E320 PolarHBondContact ND2-OE1 2.72Å; N318-E320 PolarHBondContact O-N 3.13Å; E320-M324 WeakPolarHBondContact O-CB 3.33Å; E320-M324 PolarHBondContact O-N 3.48Å |
| 321 | I | 94.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.3 | -43.6 | -179.3 | -53.4 | -50.4 | 0 | 0 | 0 | 109.8 | P167 Y170 L171 E290 L319 M324 V325 | P167-I321 HydrophobicContact CB-CG2 4.32Å; Y170-I321 VanDerWaalsContact CB-CD1 3.5Å; Y170-I321 HydrophobicContact CG-CD1 4.4Å; L171-I321 HydrophobicContact CD2-CB 4.13Å; L171-I321 HydrophobicContact CD2-CG1 3.75Å; L171-I321 HydrophobicContact CD2-CG2 4.49Å; L171-I321 HydrophobicContact CG-CG1 4.27Å; L171-I321 HydrophobicContact CG-CG2 4.33Å; E290-I321 HydrophobicContact CG-CB 4.28Å; E290-I321 WeakPolarHBondContact OE1-CA 3.38Å; E290-I321 WeakPolarHBondContact OE1-CB 3.48Å; E290-I321 PolarHBondContact OE1-N 2.9Å; L319-I321 PolarHBondContact O-N 3.3Å; I321-M324 HydrophobicContact CG2-CE 4.31Å; I321-M324 PolarHBondContact O-N 3.19Å; I321-V325 WeakPolarHBondContact O-CG2 3.24Å; I321-V325 PolarHBondContact O-N 3.18Å |
| 322 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.7 | 178.9 | 60.6 | 0 | 0 | 0 | 110.9 | F270 E290 I293 V297 L310 L319 M324 V325 I326 | F270-L322 HydrophobicContact CZ-CD2 4.25Å; E290-L322 HydrophobicContact CG-CB 3.96Å; E290-L322 PolarHBondContact OE1-N 3.23Å; I293-L322 HydrophobicContact CG2-CD1 3.79Å; I293-L322 HydrophobicContact CG2-CD2 3.52Å; I293-L322 HydrophobicContact CG2-CG 4.18Å; V297-L322 HydrophobicContact CG2-CD1 4.47Å; L310-L322 HydrophobicContact CD2-CD2 4.48Å; L319-L322 HydrophobicContact CB-CB 4.06Å; L319-L322 HydrophobicContact CB-CD2 4.42Å; L319-L322 HydrophobicContact CD1-CD2 3.89Å; L319-L322 PolarHBondContact O-N 3.47Å; L322-M324 VanDerWaalsContact C-N 3.28Å; L322-M324 PolarHBondContact O-N 2.87Å; L322-V325 PolarHBondContact O-N 3.4Å; L322-I326 HydrophobicContact CD1-CD1 4.1Å; L322-I326 HydrophobicContact CD1-CG1 3.76Å; L322-I326 HydrophobicContact CG-CG1 4.13Å; L322-I326 VanDerWaalsContact O-CG1 3.27Å; L322-I326 WeakPolarHBondContact O-CG1 3.2Å; L322-I326 PolarHBondContact O-N 2.67Å |
| 323 | K | 95.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.8 | -46.5 | 177 | -178.5 | -175.6 | 172.3 | -174.7 | 0 | 110.8 | L311 S314 E315 L319 I326 N327 D374 | L311-K323 HydrophobicContact CD1-CG 3.96Å; S314-K323 WeakPolarHBondContact OG-CA 3.3Å; S314-K323 WeakPolarHBondContact OG-CB 3.41Å; E315-K323 IonicContact OE1-NZ 2.72Å; E315-K323 WeakPolarHBondContact OE2-CD 3.41Å; E315-K323 WeakPolarHBondContact OE2-CE 3.23Å; E315-K323 IonicContact OE2-NZ 2.88Å; E315-K323 PolarHBondContact OE2-NZ 3.48Å; L319-K323 VanDerWaalsContact O-CB 3.3Å; L319-K323 WeakPolarHBondContact O-CB 3.33Å; L319-K323 PolarHBondContact O-N 2.91Å; K323-I326 PolarHBondContact O-N 2.89Å; K323-N327 VanDerWaalsContact O-CB 3.22Å; K323-N327 WeakPolarHBondContact O-CB 3.44Å; K323-N327 PolarHBondContact O-N 3.43Å; K323-N327 PolarHBondContact O-ND2 2.99Å; K323-D374 WeakPolarHBondContact CE-OD2 3.46Å; K323-D374 IonicContact NZ-OD2 3.63Å; K323-D374 PolarHBondContact NZ-OD2 3.29Å |
| 324 | M | 94.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 176.8 | 178.9 | -171.4 | 60.2 | 0 | 0 | 111.8 | V53 P89 Y170 E320 I321 L322 I326 N327 G328 | V53-M324 HydrophobicContact CB-CE 4.3Å; V53-M324 HydrophobicContact CB-SD 4.42Å; V53-M324 HydrophobicContact CG1-CE 4Å; V53-M324 HydrophobicContact CG1-SD 3.87Å; V53-M324 HydrophobicContact CG2-CE 3.86Å; P89-M324 HydrophobicContact CB-CE 3.94Å; P89-M324 HydrophobicContact CB-SD 3.68Å; P89-M324 HydrophobicContact CG-SD 4.09Å; Y170-M324 HydrophobicContact CD2-CE 4.31Å; E320-M324 WeakPolarHBondContact O-CB 3.33Å; E320-M324 PolarHBondContact O-N 3.48Å; I321-M324 HydrophobicContact CG2-CE 4.31Å; I321-M324 PolarHBondContact O-N 3.19Å; L322-M324 VanDerWaalsContact C-N 3.28Å; L322-M324 PolarHBondContact O-N 2.87Å; M324-I326 PolarHBondContact O-N 3.2Å; M324-N327 PolarHBondContact O-N 2.86Å; M324-G328 PolarHBondContact O-N 3.06Å |
| 325 | V | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | -179.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | H52 P167 V297 I321 L322 G328 F329 | H52-V325 HydrophobicContact CB-CG1 4.3Å; H52-V325 WeakPolarHBondContact CB-O 3.36Å; P167-V325 HydrophobicContact CB-CG2 3.46Å; P167-V325 VanDerWaalsContact CB-CG2 3.46Å; P167-V325 HydrophobicContact CG-CG2 3.55Å; V297-V325 HydrophobicContact CG1-CG1 3.63Å; I321-V325 WeakPolarHBondContact O-CG2 3.24Å; I321-V325 PolarHBondContact O-N 3.18Å; L322-V325 PolarHBondContact O-N 3.4Å; V325-G328 PolarHBondContact O-N 3.36Å; V325-F329 WeakPolarHBondContact O-CB 3.31Å; V325-F329 PolarHBondContact O-N 3.01Å |
| 326 | I | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 179.5 | -61.6 | -57.2 | 0 | 0 | 0 | 111.5 | V297 M302 A307 L310 L311 L322 K323 M324 G328 F329 L330 | V297-I326 HydrophobicContact CG1-CD1 4.08Å; V297-I326 HydrophobicContact CG2-CD1 3.95Å; M302-I326 HydrophobicContact CE-CD1 3.6Å; M302-I326 HydrophobicContact SD-CD1 3.7Å; A307-I326 HydrophobicContact CB-CG2 4.28Å; A307-I326 WeakPolarHBondContact O-CG2 3.26Å; L310-I326 HydrophobicContact CB-CD1 4.18Å; L310-I326 HydrophobicContact CB-CG1 4.13Å; L310-I326 HydrophobicContact CD1-CD1 3.98Å; L311-I326 HydrophobicContact CB-CG2 3.69Å; L311-I326 HydrophobicContact CD1-CB 4.42Å; L311-I326 HydrophobicContact CD1-CG2 4.16Å; L311-I326 HydrophobicContact CD2-CG2 4.39Å; L311-I326 HydrophobicContact CG-CG2 4.3Å; L322-I326 HydrophobicContact CD1-CD1 4.1Å; L322-I326 HydrophobicContact CD1-CG1 3.76Å; L322-I326 HydrophobicContact CG-CG1 4.13Å; L322-I326 VanDerWaalsContact O-CG1 3.27Å; L322-I326 WeakPolarHBondContact O-CG1 3.2Å; L322-I326 PolarHBondContact O-N 2.67Å; K323-I326 PolarHBondContact O-N 2.89Å; M324-I326 PolarHBondContact O-N 3.2Å; I326-G328 VanDerWaalsContact C-N 3.34Å; I326-G328 PolarHBondContact O-N 3.17Å; I326-F329 PolarHBondContact O-N 3.43Å; I326-L330 HydrophobicContact CG2-CD1 4.26Å; I326-L330 HydrophobicContact CG2-CG 4.45Å; I326-L330 WeakPolarHBondContact O-CG 3.47Å; I326-L330 PolarHBondContact O-N 3.23Å |
| 327 | N | 93.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 173.3 | -88 | -27.2 | 0 | 0 | 0 | 111.2 | L311 K323 M324 L330 V331 L375 L378 | L311-N327 WeakPolarHBondContact CD1-OD1 3.41Å; K323-N327 VanDerWaalsContact O-CB 3.22Å; K323-N327 WeakPolarHBondContact O-CB 3.44Å; K323-N327 PolarHBondContact O-N 3.43Å; K323-N327 PolarHBondContact O-ND2 2.99Å; M324-N327 PolarHBondContact O-N 2.86Å; N327-L330 PolarHBondContact O-N 3.19Å; N327-V331 WeakPolarHBondContact O-CB 3.2Å; N327-V331 VanDerWaalsContact O-CG2 3.23Å; N327-V331 WeakPolarHBondContact O-CG2 3.39Å; N327-V331 PolarHBondContact O-N 3.4Å; N327-L375 HydrophobicContact CB-CD2 4.49Å; N327-L375 VanDerWaalsContact OD1-CD2 3.31Å; N327-L375 WeakPolarHBondContact OD1-CD2 3.35Å; N327-L378 HydrophobicContact CB-CD2 3.93Å |
| 328 | G | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -50.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M324 V325 I326 L330 V331 D332 | M324-G328 PolarHBondContact O-N 3.06Å; V325-G328 PolarHBondContact O-N 3.36Å; I326-G328 VanDerWaalsContact C-N 3.34Å; I326-G328 PolarHBondContact O-N 3.17Å; G328-L330 PolarHBondContact O-N 3.32Å; G328-V331 PolarHBondContact O-N 2.8Å; G328-D332 VanDerWaalsContact O-CG 3.22Å; G328-D332 PolarHBondContact O-N 2.81Å |
| 329 | F | 91.6 | Very high | 90.6 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 9% | 0.092 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.9 | -49.2 | 177.9 | 175.6 | -95.7 | 0 | 0 | 0 | 112.5 | H52 M302 A307 V325 I326 D332 Q333 | H52-F329 AromaticContact CE1-CD2 3.99Å; H52-F329 WeakPolarHBondContact ND1-CA 3.49Å; M302-F329 HydrophobicContact CB-CE1 4.41Å; M302-F329 HydrophobicContact CB-CE2 4.23Å; M302-F329 HydrophobicContact CB-CZ 3.91Å; M302-F329 HydrophobicContact CE-CB 4.14Å; M302-F329 HydrophobicContact CE-CD1 3.49Å; M302-F329 VanDerWaalsContact CE-CD1 3.49Å; M302-F329 HydrophobicContact CE-CD2 3.83Å; M302-F329 HydrophobicContact CE-CE1 3.68Å; M302-F329 HydrophobicContact CE-CE2 4.04Å; M302-F329 HydrophobicContact CE-CG 3.54Å; M302-F329 HydrophobicContact CE-CZ 3.95Å; M302-F329 HydrophobicContact CG-CE1 4.45Å; M302-F329 HydrophobicContact CG-CZ 4.42Å; M302-F329 VanDerWaalsContact O-CZ 3.26Å; M302-F329 WeakPolarHBondContact O-CZ 3.3Å; A307-F329 HydrophobicContact CB-CD1 3.85Å; A307-F329 HydrophobicContact CB-CE1 3.77Å; V325-F329 WeakPolarHBondContact O-CB 3.31Å; V325-F329 PolarHBondContact O-N 3.01Å; I326-F329 PolarHBondContact O-N 3.43Å; F329-D332 PolarHBondContact O-N 2.89Å; F329-Q333 PolarHBondContact O-N 3.47Å |
| 330 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 179 | -68.4 | -179.3 | 0 | 0 | 0 | 112.3 | A307 K308 L311 I326 N327 G328 D332 Q333 I334 L375 | A307-L330 HydrophobicContact CB-CD2 4.03Å; A307-L330 HydrophobicContact CB-CG 4.48Å; K308-L330 HydrophobicContact CG-CD1 4.23Å; K308-L330 HydrophobicContact CG-CD2 4.37Å; L311-L330 HydrophobicContact CD2-CD1 3.62Å; I326-L330 HydrophobicContact CG2-CD1 4.26Å; I326-L330 HydrophobicContact CG2-CG 4.45Å; I326-L330 WeakPolarHBondContact O-CG 3.47Å; I326-L330 PolarHBondContact O-N 3.23Å; N327-L330 PolarHBondContact O-N 3.19Å; G328-L330 PolarHBondContact O-N 3.32Å; L330-D332 VanDerWaalsContact C-N 3.35Å; L330-Q333 PolarHBondContact O-N 3.35Å; L330-I334 WeakPolarHBondContact O-CD1 3.39Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 3.46Å; L330-L375 HydrophobicContact CB-CD2 3.95Å; L330-L375 HydrophobicContact CD1-CD1 4.3Å; L330-L375 HydrophobicContact CD1-CD2 4.37Å |
| 331 | V | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.6 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | N327 G328 Q333 I334 I335 L375 L378 V382 | N327-V331 WeakPolarHBondContact O-CB 3.2Å; N327-V331 VanDerWaalsContact O-CG2 3.23Å; N327-V331 WeakPolarHBondContact O-CG2 3.39Å; N327-V331 PolarHBondContact O-N 3.4Å; G328-V331 PolarHBondContact O-N 2.8Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.97Å; V331-I334 PolarHBondContact O-N 3.34Å; V331-I335 HydrophobicContact CG1-CD1 3.55Å; V331-I335 HydrophobicContact CG1-CG1 4.18Å; V331-I335 WeakPolarHBondContact O-CB 3.31Å; V331-I335 VanDerWaalsContact O-CG1 3.28Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 2.97Å; V331-L375 HydrophobicContact CG2-CD2 4.1Å; V331-L378 HydrophobicContact CG2-CB 4.05Å; V331-L378 HydrophobicContact CG2-CD2 3.88Å; V331-L378 HydrophobicContact CG2-CG 3.95Å; V331-V382 HydrophobicContact CG1-CB 4.27Å; V331-V382 HydrophobicContact CG1-CG2 4.2Å |
| 332 | D | 88.2 | Confident | 89.4 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.3 | -67 | -27.1 | 0 | 0 | 0 | 110.8 | H52 G328 F329 L330 I335 G336 | H52-D332 IonicContact CE1-OD2 2.75Å; H52-D332 PolarHBondContact CE1-OD2 2.89Å; H52-D332 IonicContact ND1-OD2 2.74Å; H52-D332 PolarHBondContact ND1-OD2 3.45Å; G328-D332 VanDerWaalsContact O-CG 3.22Å; G328-D332 PolarHBondContact O-N 2.81Å; F329-D332 PolarHBondContact O-N 2.89Å; L330-D332 VanDerWaalsContact C-N 3.35Å; D332-I335 PolarHBondContact O-N 2.9Å; D332-G336 PolarHBondContact O-N 2.81Å |
| 333 | Q | 87.8 | Confident | 89.1 | Confident | 58 Ų | 58 | 41 Ų | 41 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 172.9 | -68.4 | -172.2 | 2.5 | 0 | 0 | 112.9 | F329 L330 V331 I335 G336 N337 | F329-Q333 PolarHBondContact O-N 3.47Å; L330-Q333 PolarHBondContact O-N 3.35Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.97Å; Q333-I335 VanDerWaalsContact C-N 3.33Å; Q333-I335 PolarHBondContact O-N 2.79Å; Q333-G336 PolarHBondContact O-N 2.86Å; Q333-N337 PolarHBondContact O-N 2.82Å; Q333-N337 VanDerWaalsContact O-N 3.08Å |
| 334 | I | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.4 | -69.2 | 160.3 | 0 | 0 | 0 | 110.2 | L330 V331 N337 P340 E343 L344 I347 T379 | L330-I334 WeakPolarHBondContact O-CD1 3.39Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 3.46Å; V331-I334 PolarHBondContact O-N 3.34Å; I334-N337 WeakPolarHBondContact O-CB 3.45Å; I334-N337 PolarHBondContact O-N 3.43Å; I334-P340 HydrophobicContact CG2-CB 3.9Å; I334-P340 VanDerWaalsContact O-CB 3.23Å; I334-P340 WeakPolarHBondContact O-CB 3.39Å; I334-P340 WeakPolarHBondContact O-CG 3.41Å; I334-E343 HydrophobicContact CG1-CG 4.18Å; I334-L344 HydrophobicContact CD1-CD1 4.18Å; I334-I347 HydrophobicContact CD1-CD1 3.64Å; I334-I347 HydrophobicContact CG1-CD1 3.43Å; I334-I347 VanDerWaalsContact CG1-CD1 3.43Å; I334-T379 HydrophobicContact CG2-CG2 3.81Å |
| 335 | I | 87.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.5 | -38.2 | -179.8 | -67.3 | 173.5 | 0 | 0 | 0 | 111.2 | V331 D332 Q333 N337 T379 V382 R383 | V331-I335 HydrophobicContact CG1-CD1 3.55Å; V331-I335 HydrophobicContact CG1-CG1 4.18Å; V331-I335 WeakPolarHBondContact O-CB 3.31Å; V331-I335 VanDerWaalsContact O-CG1 3.28Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 2.97Å; D332-I335 PolarHBondContact O-N 2.9Å; Q333-I335 VanDerWaalsContact C-N 3.33Å; Q333-I335 PolarHBondContact O-N 2.79Å; I335-N337 PolarHBondContact O-N 2.86Å; I335-T379 HydrophobicContact CG1-CG2 4.24Å; I335-V382 HydrophobicContact CD1-CB 3.91Å; I335-V382 HydrophobicContact CD1-CG1 3.62Å; I335-R383 HydrophobicContact CD1-CG 3.96Å; I335-R383 HydrophobicContact CG1-CG 4.01Å |
| 336 | G | 85.1 | Confident | 88.4 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.8 | -16.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | D332 Q333 | D332-G336 PolarHBondContact O-N 2.81Å; Q333-G336 PolarHBondContact O-N 2.86Å |
| 337 | N | 88.1 | Confident | 88.1 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -73.8 | 145 | 178.9 | -162.6 | -63.2 | 0 | 0 | 0 | 112.4 | Q333 I334 I335 N339 P340 E343 | Q333-N337 PolarHBondContact O-N 2.82Å; Q333-N337 VanDerWaalsContact O-N 3.08Å; I334-N337 WeakPolarHBondContact O-CB 3.45Å; I334-N337 PolarHBondContact O-N 3.43Å; I335-N337 PolarHBondContact O-N 2.86Å; N337-N339 VanDerWaalsContact C-N 3.26Å; N337-N339 PolarHBondContact O-N 2.72Å; N337-N339 PolarHBondContact OD1-N 3.24Å; N337-P340 WeakPolarHBondContact O-CD 3.46Å; N337-P340 WeakPolarHBondContact O-CG 3.33Å; N337-E343 HydrophobicContact CB-CB 4.17Å; N337-E343 HydrophobicContact CB-CG 4.23Å; N337-E343 PolarHBondContact ND2-OE2 3.37Å |
| 338 | S | 74.4 | Confident | 87.9 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 90% | 0.895 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -65.5 | -25.5 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 114 | ||
| 339 | N | 86 | Confident | 87.8 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -133.9 | 83.1 | 174.5 | -171.6 | -18.1 | 0 | 0 | 0 | 111 | N337 P341 K342 E343 | N337-N339 VanDerWaalsContact C-N 3.26Å; N337-N339 PolarHBondContact O-N 2.72Å; N337-N339 PolarHBondContact OD1-N 3.24Å; N339-P341 WeakPolarHBondContact OD1-CD 3.29Å; N339-K342 HydrophobicContact CB-CB 4.12Å; N339-K342 WeakPolarHBondContact O-CB 3.27Å; N339-K342 PolarHBondContact O-N 2.75Å; N339-K342 VanDerWaalsContact O-N 3.15Å; N339-K342 PolarHBondContact OD1-N 2.74Å; N339-E343 PolarHBondContact O-N 3.24Å |
| 340 | P | 83.7 | Confident | 87.8 | Confident | 22 Ų | 22 | 54 Ų | 54 | 14% | 0.143 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | -174.8 | -21.6 | 30.8 | 0 | 0 | 0 | 116.7 | I334 N337 K342 E343 L344 | I334-P340 HydrophobicContact CG2-CB 3.9Å; I334-P340 VanDerWaalsContact O-CB 3.23Å; I334-P340 WeakPolarHBondContact O-CB 3.39Å; I334-P340 WeakPolarHBondContact O-CG 3.41Å; N337-P340 WeakPolarHBondContact O-CD 3.46Å; N337-P340 WeakPolarHBondContact O-CG 3.33Å; P340-K342 VanDerWaalsContact C-N 3.27Å; P340-K342 PolarHBondContact O-N 2.57Å; P340-E343 PolarHBondContact O-N 3.17Å; P340-L344 WeakPolarHBondContact O-CB 3.41Å; P340-L344 PolarHBondContact O-N 3.09Å |
| 341 | P | 85 | Confident | 87.7 | Confident | 81 Ų | 81 | 54 Ų | 54 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 172 | -27.4 | 35.1 | 0 | 0 | 0 | 113 | N339 V345 | N339-P341 WeakPolarHBondContact OD1-CD 3.29Å; P341-V345 WeakPolarHBondContact O-CG2 3.18Å; P341-V345 PolarHBondContact O-N 3Å |
| 342 | K | 87.5 | Confident | 87.5 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68 | -42.8 | 177.1 | -174.1 | -177.2 | 178 | -173.1 | 0 | 111.2 | N339 P340 L344 V345 N346 | N339-K342 HydrophobicContact CB-CB 4.12Å; N339-K342 WeakPolarHBondContact O-CB 3.27Å; N339-K342 PolarHBondContact O-N 2.75Å; N339-K342 VanDerWaalsContact O-N 3.15Å; N339-K342 PolarHBondContact OD1-N 2.74Å; P340-K342 VanDerWaalsContact C-N 3.27Å; P340-K342 PolarHBondContact O-N 2.57Å; K342-L344 VanDerWaalsContact C-N 3.3Å; K342-L344 PolarHBondContact O-N 3.26Å; K342-V345 PolarHBondContact O-N 3.32Å; K342-N346 PolarHBondContact O-N 3.01Å |
| 343 | E | 89.2 | Confident | 87.5 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 178.6 | -170.8 | 56.4 | -153 | 0 | 0 | 111.8 | I334 N337 N339 P340 V345 N346 I347 | I334-E343 HydrophobicContact CG1-CG 4.18Å; N337-E343 HydrophobicContact CB-CB 4.17Å; N337-E343 HydrophobicContact CB-CG 4.23Å; N337-E343 PolarHBondContact ND2-OE2 3.37Å; N339-E343 PolarHBondContact O-N 3.24Å; P340-E343 PolarHBondContact O-N 3.17Å; E343-V345 VanDerWaalsContact C-N 3.31Å; E343-V345 PolarHBondContact O-N 3.14Å; E343-N346 WeakPolarHBondContact O-CB 3.41Å; E343-N346 PolarHBondContact O-N 3.36Å; E343-N346 VanDerWaalsContact O-N 3.14Å; E343-I347 HydrophobicContact CG-CD1 4.11Å; E343-I347 WeakPolarHBondContact O-CG1 3.45Å; E343-I347 PolarHBondContact O-N 3.49Å |
| 344 | L | 88.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 177.2 | -176.4 | 63.1 | 0 | 0 | 0 | 113.2 | I334 P340 K342 T348 L375 Q376 | I334-L344 HydrophobicContact CD1-CD1 4.18Å; P340-L344 WeakPolarHBondContact O-CB 3.41Å; P340-L344 PolarHBondContact O-N 3.09Å; K342-L344 VanDerWaalsContact C-N 3.3Å; K342-L344 PolarHBondContact O-N 3.26Å; L344-T348 WeakPolarHBondContact O-CB 3.4Å; L344-T348 PolarHBondContact O-N 3.18Å; L344-T348 PolarHBondContact O-OG1 3.24Å; L344-L375 HydrophobicContact CD1-CB 4.34Å; L344-Q376 HydrophobicContact CD1-CG 3.93Å; L344-Q376 HydrophobicContact CD2-CB 4.42Å; L344-Q376 HydrophobicContact CD2-CG 3.47Å; L344-Q376 VanDerWaalsContact CD2-CG 3.47Å; L344-Q376 HydrophobicContact CG-CG 4.02Å |
| 345 | V | 89.3 | Confident | 87.3 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | P341 K342 E343 T348 H349 | P341-V345 WeakPolarHBondContact O-CG2 3.18Å; P341-V345 PolarHBondContact O-N 3Å; K342-V345 PolarHBondContact O-N 3.32Å; E343-V345 VanDerWaalsContact C-N 3.31Å; E343-V345 PolarHBondContact O-N 3.14Å; V345-T348 WeakPolarHBondContact O-CB 3.5Å; V345-T348 PolarHBondContact O-N 3.29Å; V345-H349 PolarHBondContact O-CD2 3.46Å; V345-H349 VanDerWaalsContact O-CD2 3.24Å; V345-H349 PolarHBondContact O-N 3.2Å; V345-H349 VanDerWaalsContact O-N 3.09Å |
| 346 | N | 89.3 | Confident | 87 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 175.6 | -67.9 | -12.5 | 0 | 0 | 0 | 111.2 | K342 E343 T348 H349 E350 | K342-N346 PolarHBondContact O-N 3.01Å; E343-N346 WeakPolarHBondContact O-CB 3.41Å; E343-N346 PolarHBondContact O-N 3.36Å; E343-N346 VanDerWaalsContact O-N 3.14Å; N346-T348 VanDerWaalsContact C-N 3.26Å; N346-T348 PolarHBondContact O-N 3.41Å; N346-H349 PolarHBondContact O-N 3.11Å; N346-H349 VanDerWaalsContact O-N 3.17Å; N346-E350 WeakPolarHBondContact O-CG 3.3Å; N346-E350 PolarHBondContact O-N 3.26Å |
| 347 | I | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 177.4 | -66.8 | 173 | 0 | 0 | 0 | 110.8 | I334 E343 H349 E350 L351 L375 | I334-I347 HydrophobicContact CD1-CD1 3.64Å; I334-I347 HydrophobicContact CG1-CD1 3.43Å; I334-I347 VanDerWaalsContact CG1-CD1 3.43Å; E343-I347 HydrophobicContact CG-CD1 4.11Å; E343-I347 WeakPolarHBondContact O-CG1 3.45Å; E343-I347 PolarHBondContact O-N 3.49Å; I347-H349 PolarHBondContact O-N 2.82Å; I347-E350 PolarHBondContact O-N 2.58Å; I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.17Å; I347-L351 WeakPolarHBondContact O-CB 3.3Å; I347-L351 VanDerWaalsContact O-CG 3.26Å; I347-L351 WeakPolarHBondContact O-CG 3.48Å; I347-L351 PolarHBondContact O-N 2.92Å; I347-L375 HydrophobicContact CG2-CD1 4.07Å |
| 348 | T | 89 | Confident | 86.2 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 177 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | L344 V345 N346 E350 L351 Q352 V372 | L344-T348 WeakPolarHBondContact O-CB 3.4Å; L344-T348 PolarHBondContact O-N 3.18Å; L344-T348 PolarHBondContact O-OG1 3.24Å; V345-T348 WeakPolarHBondContact O-CB 3.5Å; V345-T348 PolarHBondContact O-N 3.29Å; N346-T348 VanDerWaalsContact C-N 3.26Å; N346-T348 PolarHBondContact O-N 3.41Å; T348-E350 PolarHBondContact O-N 3Å; T348-L351 PolarHBondContact O-N 2.9Å; T348-Q352 WeakPolarHBondContact O-CG 3.28Å; T348-Q352 PolarHBondContact O-N 3.47Å; T348-V372 HydrophobicContact CG2-CG1 4.31Å; T348-V372 HydrophobicContact CG2-CG2 3.95Å; T348-V372 WeakPolarHBondContact OG1-CG1 3.45Å |
| 349 | H | 89.4 | Confident | 85.7 | Confident | 112 Ų | 112 | 67.7 Ų | 67.7 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 178.7 | -74.5 | -56.4 | 0 | 0 | 0 | 112.7 | V345 N346 I347 Q352 Q353 | V345-H349 PolarHBondContact O-CD2 3.46Å; V345-H349 VanDerWaalsContact O-CD2 3.24Å; V345-H349 PolarHBondContact O-N 3.2Å; V345-H349 VanDerWaalsContact O-N 3.09Å; N346-H349 PolarHBondContact O-N 3.11Å; N346-H349 VanDerWaalsContact O-N 3.17Å; I347-H349 PolarHBondContact O-N 2.82Å; H349-Q352 PolarHBondContact ND1-OE1 3.4Å; H349-Q352 WeakPolarHBondContact O-CB 3.34Å; H349-Q352 PolarHBondContact O-N 3.4Å; H349-Q353 PolarHBondContact O-N 2.92Å |
| 350 | E | 91.4 | Very high | 84.3 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 177 | -72.6 | 178.7 | -146.6 | 0 | 0 | 112.2 | K308 N346 I347 T348 Q352 Q353 M354 | K308-E350 HydrophobicContact CD-CB 4.33Å; K308-E350 WeakPolarHBondContact CD-OE2 3.22Å; K308-E350 WeakPolarHBondContact CE-OE2 3.47Å; K308-E350 IonicContact NZ-OE1 2.58Å; K308-E350 IonicContact NZ-OE2 3.82Å; K308-E350 PolarHBondContact NZ-OE2 2.72Å; N346-E350 WeakPolarHBondContact O-CG 3.3Å; N346-E350 PolarHBondContact O-N 3.26Å; I347-E350 PolarHBondContact O-N 2.58Å; T348-E350 PolarHBondContact O-N 3Å; E350-Q352 VanDerWaalsContact C-N 3.32Å; E350-Q352 PolarHBondContact O-N 3.04Å; E350-Q353 PolarHBondContact O-N 3.03Å; E350-M354 HydrophobicContact CB-CE 4.25Å; E350-M354 WeakPolarHBondContact O-CB 3.43Å; E350-M354 VanDerWaalsContact O-CG 3.27Å; E350-M354 WeakPolarHBondContact O-CG 3.33Å; E350-M354 PolarHBondContact O-N 2.73Å |
| 351 | L | 90.6 | Very high | 83 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.7 | -74.1 | 169.5 | 0 | 0 | 0 | 111.4 | K308 L312 I347 T348 Q353 M354 A355 V368 V371 V372 L375 | K308-L351 HydrophobicContact CB-CD2 3.77Å; K308-L351 HydrophobicContact CG-CD2 4.18Å; L312-L351 HydrophobicContact CD1-CD2 4.09Å; L312-L351 HydrophobicContact CD2-CD2 4Å; L312-L351 HydrophobicContact CG-CD2 3.83Å; I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.17Å; I347-L351 WeakPolarHBondContact O-CB 3.3Å; I347-L351 VanDerWaalsContact O-CG 3.26Å; I347-L351 WeakPolarHBondContact O-CG 3.48Å; I347-L351 PolarHBondContact O-N 2.92Å; T348-L351 PolarHBondContact O-N 2.9Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-Q353 PolarHBondContact O-N 3.23Å; L351-M354 PolarHBondContact O-N 3.44Å; L351-A355 WeakPolarHBondContact O-CB 3.48Å; L351-A355 PolarHBondContact O-N 3.48Å; L351-V368 HydrophobicContact CB-CG1 4.04Å; L351-V371 HydrophobicContact CD1-CG1 3.79Å; L351-V372 HydrophobicContact CD1-CG2 4.03Å; L351-L375 HydrophobicContact CD1-CD1 4.27Å |
| 352 | Q | 88.1 | Confident | 81.7 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 41% | 0.407 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.6 | -49 | 173.4 | -72.5 | 175.4 | -23.2 | 0 | 0 | 110.8 | T348 H349 E350 A355 H356 V368 | T348-Q352 WeakPolarHBondContact O-CG 3.28Å; T348-Q352 PolarHBondContact O-N 3.47Å; H349-Q352 PolarHBondContact ND1-OE1 3.4Å; H349-Q352 WeakPolarHBondContact O-CB 3.34Å; H349-Q352 PolarHBondContact O-N 3.4Å; E350-Q352 VanDerWaalsContact C-N 3.32Å; E350-Q352 PolarHBondContact O-N 3.04Å; Q352-A355 PolarHBondContact O-N 3.05Å; Q352-H356 PolarHBondContact O-ND1 3.46Å; Q352-V368 HydrophobicContact CG-CG1 3.83Å |
| 353 | Q | 87.9 | Confident | 81.2 | Confident | 127 Ų | 127 | 76 Ų | 76 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 179.1 | -175.3 | 178.6 | -7.2 | 0 | 0 | 112.1 | H349 E350 L351 A355 H356 | H349-Q353 PolarHBondContact O-N 2.92Å; E350-Q353 PolarHBondContact O-N 3.03Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-Q353 PolarHBondContact O-N 3.23Å; Q353-A355 PolarHBondContact O-N 2.87Å; Q353-H356 PolarHBondContact O-N 3.32Å |
| 354 | M | 89.4 | Confident | 80.8 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.1 | -34.6 | -178.3 | -69.5 | 178 | -165 | 0 | 0 | 112.8 | S305 K308 K309 L312 E350 L351 H356 E357 I358 | S305-M354 WeakPolarHBondContact OG-CE 3.39Å; K308-M354 HydrophobicContact CB-CE 4.25Å; K308-M354 HydrophobicContact CB-SD 3.64Å; K308-M354 HydrophobicContact CD-CE 4.15Å; K309-M354 HydrophobicContact CG-CB 4.39Å; K309-M354 HydrophobicContact CG-CG 4.26Å; K309-M354 HydrophobicContact CG-SD 3.62Å; L312-M354 HydrophobicContact CD1-CB 3.94Å; E350-M354 HydrophobicContact CB-CE 4.25Å; E350-M354 WeakPolarHBondContact O-CB 3.43Å; E350-M354 VanDerWaalsContact O-CG 3.27Å; E350-M354 WeakPolarHBondContact O-CG 3.33Å; E350-M354 PolarHBondContact O-N 2.73Å; L351-M354 PolarHBondContact O-N 3.44Å; M354-H356 PolarHBondContact O-N 2.84Å; M354-E357 WeakPolarHBondContact O-CA 3.5Å; M354-E357 WeakPolarHBondContact O-CB 3.05Å; M354-E357 PolarHBondContact O-N 3.46Å; M354-I358 WeakPolarHBondContact O-CG1 3.33Å; M354-I358 PolarHBondContact O-N 3.22Å; M354-I358 VanDerWaalsContact O-N 3.15Å |
| 355 | A | 84.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L312 L351 Q352 Q353 E357 I358 I364 V368 | L312-A355 HydrophobicContact CD1-CB 4Å; L312-A355 HydrophobicContact CD2-CB 4.48Å; L351-A355 WeakPolarHBondContact O-CB 3.48Å; L351-A355 PolarHBondContact O-N 3.48Å; Q352-A355 PolarHBondContact O-N 3.05Å; Q353-A355 PolarHBondContact O-N 2.87Å; A355-E357 VanDerWaalsContact C-N 3.28Å; A355-E357 PolarHBondContact O-N 3.32Å; A355-I358 PolarHBondContact O-N 2.95Å; A355-I364 HydrophobicContact CB-CG1 4.36Å; A355-I364 HydrophobicContact CB-CG2 3.57Å; A355-V368 HydrophobicContact CB-CG2 3.7Å |
| 356 | H | 81.8 | Confident | 80.5 | Confident | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.4 | -28.5 | 173.8 | -66.8 | 79.3 | 0 | 0 | 0 | 112.5 | Q352 Q353 M354 | Q352-H356 PolarHBondContact O-ND1 3.46Å; Q353-H356 PolarHBondContact O-N 3.32Å; M354-H356 PolarHBondContact O-N 2.84Å |
| 357 | E | 79.6 | Confident | 80.5 | Confident | 107 Ų | 107 | 82.2 Ų | 82.2 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -75.9 | -30.6 | 177.3 | -62.7 | 178.6 | 179.4 | 0 | 0 | 112.6 | K309 M354 A355 R359 | K309-E357 IonicContact NZ-OE2 3.37Å; K309-E357 PolarHBondContact NZ-OE2 2.92Å; M354-E357 WeakPolarHBondContact O-CA 3.5Å; M354-E357 WeakPolarHBondContact O-CB 3.05Å; M354-E357 PolarHBondContact O-N 3.46Å; A355-E357 VanDerWaalsContact C-N 3.28Å; A355-E357 PolarHBondContact O-N 3.32Å; E357-R359 PolarHBondContact O-N 3.43Å |
| 358 | I | 75.8 | Confident | 80.5 | Confident | 20 Ų | 20 | 82.4 Ų | 82.4 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 20.9 | -174.2 | -62.8 | 168.8 | 0 | 0 | 0 | 112.3 | F267 K309 L312 V313 M354 A355 | F267-I358 HydrophobicContact CE1-CD1 4.32Å; F267-I358 HydrophobicContact CE1-CG1 4.23Å; F267-I358 HydrophobicContact CZ-CD1 4.26Å; K309-I358 HydrophobicContact CB-CD1 4.2Å; K309-I358 HydrophobicContact CG-CD1 4.26Å; L312-I358 HydrophobicContact CB-CD1 4.2Å; L312-I358 HydrophobicContact CD1-CD1 3.92Å; V313-I358 HydrophobicContact CG2-CD1 4.48Å; V313-I358 HydrophobicContact CG2-CG2 4.25Å; M354-I358 WeakPolarHBondContact O-CG1 3.33Å; M354-I358 PolarHBondContact O-N 3.22Å; M354-I358 VanDerWaalsContact O-N 3.15Å; A355-I358 PolarHBondContact O-N 2.95Å |
| 359 | R | 64.3 | Low | 80.5 | Confident | 230 Ų | 230 | 82.7 Ų | 82.7 | 87% | 0.868 | 40% | 0.4 | S | S | * | . | trans | 56.8 | 76.1 | -179.1 | -61.9 | -176.3 | -178.5 | -140.1 | 2.9 | 113.3 | E357 | E357-R359 PolarHBondContact O-N 3.43Š| ||
| 360 | E | 56.4 | Low | 80.6 | Confident | 24 Ų | 24 | 79 Ų | 79 | 11% | 0.112 | 39% | 0.388 | C | S | . | . | trans | -130.7 | 119.5 | 172.6 | -63.9 | -164.5 | 157.3 | 0 | 0 | 110.8 | K316 I364 L367 | K316-E360 WeakPolarHBondContact CD-OE1 3.21Å; K316-E360 WeakPolarHBondContact CE-OE1 3.24Å; K316-E360 IonicContact NZ-OE1 3.45Å; K316-E360 PolarHBondContact NZ-OE1 3.09Å; E360-I364 HydrophobicContact CB-CD1 3.77Å; E360-I364 HydrophobicContact CB-CG1 3.39Å; E360-I364 HydrophobicContact CG-CG1 4.34Å; E360-I364 VanDerWaalsContact O-CD1 3.3Å; E360-I364 WeakPolarHBondContact O-CD1 3.45Å; E360-I364 VanDerWaalsContact OE2-CG1 3.31Å; E360-I364 WeakPolarHBondContact OE2-CG1 3.46Å; E360-L367 WeakPolarHBondContact OE1-CD2 2.99Å; E360-L367 WeakPolarHBondContact OE2-CD2 3.3Å | ||
| 361 | N | 56 | Low | 80.7 | Confident | 172 Ų | 172 | 75.8 Ų | 75.8 | 92% | 0.92 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -101.5 | -11.1 | 168.7 | -82.2 | -15.7 | 0 | 0 | 0 | 112.2 | ||
| 362 | E | 58.9 | Low | 80.8 | Confident | 173 Ų | 173 | 76.4 Ų | 76.4 | 81% | 0.808 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -136.8 | 126.4 | -177.8 | -62 | -175.8 | -179.6 | 0 | 0 | 109.4 | ||
| 363 | N | 76.5 | Confident | 81.1 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | trans | 85.1 | 12.3 | 168.9 | -135.7 | 21.5 | 0 | 0 | 0 | 120.1 | E365 N366 L367 | N363-E365 VanDerWaalsContact C-N 3.31Å; N363-E365 PolarHBondContact O-N 2.61Å; N363-N366 PolarHBondContact O-N 3.47Å; N363-N366 VanDerWaalsContact OD1-CB 3.31Å; N363-N366 WeakPolarHBondContact OD1-CB 3.28Å; N363-N366 PolarHBondContact OD1-ND2 2.88Å; N363-L367 PolarHBondContact O-N 2.96Å; N363-L367 VanDerWaalsContact O-N 3.11Å | ||
| 364 | I | 80.8 | Confident | 81.3 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -51.2 | -46.8 | 177 | -69.8 | 169.8 | 0 | 0 | 0 | 112.7 | A355 E360 N366 L367 V368 | A355-I364 HydrophobicContact CB-CG1 4.36Å; A355-I364 HydrophobicContact CB-CG2 3.57Å; E360-I364 HydrophobicContact CB-CD1 3.77Å; E360-I364 HydrophobicContact CB-CG1 3.39Å; E360-I364 HydrophobicContact CG-CG1 4.34Å; E360-I364 VanDerWaalsContact O-CD1 3.3Å; E360-I364 WeakPolarHBondContact O-CD1 3.45Å; E360-I364 VanDerWaalsContact OE2-CG1 3.31Å; E360-I364 WeakPolarHBondContact OE2-CG1 3.46Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 3.34Å; I364-L367 PolarHBondContact O-N 2.85Å; I364-V368 HydrophobicContact CG2-CG2 4Å; I364-V368 WeakPolarHBondContact O-CG2 3.35Å; I364-V368 PolarHBondContact O-N 3.3Å |
| 365 | E | 83.6 | Confident | 81.5 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | -174.6 | -67.4 | -174.2 | 167.6 | 0 | 0 | 112 | N363 G369 | N363-E365 VanDerWaalsContact C-N 3.31Å; N363-E365 PolarHBondContact O-N 2.61Å; E365-G369 WeakPolarHBondContact O-CA 3.5Å; E365-G369 PolarHBondContact O-N 3.44Å |
| 366 | N | 87 | Confident | 81.8 | Confident | 110 Ų | 110 | 74 Ų | 74 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -72.1 | -40.8 | 177.5 | -72.4 | -23.7 | 0 | 0 | 0 | 111.2 | N363 I364 G369 A370 | N363-N366 PolarHBondContact O-N 3.47Å; N363-N366 VanDerWaalsContact OD1-CB 3.31Å; N363-N366 WeakPolarHBondContact OD1-CB 3.28Å; N363-N366 PolarHBondContact OD1-ND2 2.88Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 3.34Å; N366-G369 PolarHBondContact O-N 2.92Å; N366-A370 WeakPolarHBondContact O-CB 3.28Å; N366-A370 PolarHBondContact O-N 2.88Å |
| 367 | L | 89.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60 | -54.2 | 176.5 | -178.3 | 70.7 | 0 | 0 | 0 | 111.3 | L312 E315 K316 E360 N363 I364 G369 A370 V371 | L312-L367 HydrophobicContact CB-CD2 4.46Å; L312-L367 HydrophobicContact CD2-CD2 4.22Å; L312-L367 HydrophobicContact CD2-CG 4.34Å; E315-L367 HydrophobicContact CB-CD1 3.77Å; E315-L367 HydrophobicContact CG-CD1 3.36Å; K316-L367 HydrophobicContact CB-CD1 4.24Å; E360-L367 WeakPolarHBondContact OE1-CD2 2.99Å; E360-L367 WeakPolarHBondContact OE2-CD2 3.3Å; N363-L367 PolarHBondContact O-N 2.96Å; N363-L367 VanDerWaalsContact O-N 3.11Å; I364-L367 PolarHBondContact O-N 2.85Å; L367-G369 VanDerWaalsContact C-N 3.32Å; L367-G369 PolarHBondContact O-N 2.93Å; L367-A370 PolarHBondContact O-N 3.4Å; L367-V371 WeakPolarHBondContact O-CG2 3.16Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.14Å |
| 368 | V | 89.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | L312 L351 Q352 A355 I364 A370 V371 V372 | L312-V368 HydrophobicContact CD2-CG2 4.04Å; L351-V368 HydrophobicContact CB-CG1 4.04Å; Q352-V368 HydrophobicContact CG-CG1 3.83Å; A355-V368 HydrophobicContact CB-CG2 3.7Å; I364-V368 HydrophobicContact CG2-CG2 4Å; I364-V368 WeakPolarHBondContact O-CG2 3.35Å; I364-V368 PolarHBondContact O-N 3.3Å; V368-A370 PolarHBondContact O-N 3.02Å; V368-V371 PolarHBondContact O-N 2.82Å; V368-V372 HydrophobicContact CG1-CG2 3.96Å; V368-V372 WeakPolarHBondContact O-CB 3.43Å; V368-V372 WeakPolarHBondContact O-CG2 3.14Å; V368-V372 PolarHBondContact O-N 2.83Å |
| 369 | G | 89.9 | Confident | 83.7 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E365 N366 L367 T373 | E365-G369 WeakPolarHBondContact O-CA 3.5Å; E365-G369 PolarHBondContact O-N 3.44Å; N366-G369 PolarHBondContact O-N 2.92Å; L367-G369 VanDerWaalsContact C-N 3.32Å; L367-G369 PolarHBondContact O-N 2.93Å; G369-T373 WeakPolarHBondContact O-CB 3.48Å; G369-T373 PolarHBondContact O-N 2.98Å; G369-T373 PolarHBondContact O-OG1 3.05Å |
| 370 | A | 91.2 | Very high | 84.9 | Confident | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -53.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N366 L367 V368 V372 T373 D374 | N366-A370 WeakPolarHBondContact O-CB 3.28Å; N366-A370 PolarHBondContact O-N 2.88Å; L367-A370 PolarHBondContact O-N 3.4Å; V368-A370 PolarHBondContact O-N 3.02Å; A370-V372 PolarHBondContact O-N 3.46Å; A370-T373 WeakPolarHBondContact O-CB 3.39Å; A370-T373 PolarHBondContact O-N 2.86Å; A370-T373 VanDerWaalsContact O-N 3.15Å; A370-D374 PolarHBondContact O-N 3.31Å |
| 371 | V | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57 | -46.4 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | L311 E315 L351 L367 V368 T373 D374 L375 | L311-V371 HydrophobicContact CD1-CG1 4.38Å; L311-V371 HydrophobicContact CD2-CG1 3.29Å; L311-V371 HydrophobicContact CG-CG1 3.5Å; L311-V371 VanDerWaalsContact CG-CG1 3.5Å; L311-V371 HydrophobicContact CG-CG2 4.25Å; E315-V371 HydrophobicContact CB-CG2 3.8Å; E315-V371 HydrophobicContact CG-CG2 3.93Å; L351-V371 HydrophobicContact CD1-CG1 3.79Å; L367-V371 WeakPolarHBondContact O-CG2 3.16Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.14Å; V368-V371 PolarHBondContact O-N 2.82Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 2.99Å; V371-D374 PolarHBondContact O-N 3.15Å; V371-L375 HydrophobicContact CG1-CD1 4.21Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.96Å |
| 372 | V | 92.7 | Very high | 88.2 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | -179.7 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | T348 L351 V368 A370 D374 L375 Q376 | T348-V372 HydrophobicContact CG2-CG1 4.31Å; T348-V372 HydrophobicContact CG2-CG2 3.95Å; T348-V372 WeakPolarHBondContact OG1-CG1 3.45Å; L351-V372 HydrophobicContact CD1-CG2 4.03Å; V368-V372 HydrophobicContact CG1-CG2 3.96Å; V368-V372 WeakPolarHBondContact O-CB 3.43Å; V368-V372 WeakPolarHBondContact O-CG2 3.14Å; V368-V372 PolarHBondContact O-N 2.83Å; A370-V372 PolarHBondContact O-N 3.46Å; V372-D374 VanDerWaalsContact C-N 3.35Å; V372-L375 PolarHBondContact O-N 2.73Å; V372-Q376 HydrophobicContact CG1-CG 4.28Å; V372-Q376 VanDerWaalsContact O-CB 3.31Å; V372-Q376 WeakPolarHBondContact O-CB 3.23Å; V372-Q376 WeakPolarHBondContact O-CG 3.4Å; V372-Q376 PolarHBondContact O-N 3.28Å |
| 373 | T | 93.5 | Very high | 89.5 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | G369 A370 V371 Q376 E377 | G369-T373 WeakPolarHBondContact O-CB 3.48Å; G369-T373 PolarHBondContact O-N 2.98Å; G369-T373 PolarHBondContact O-OG1 3.05Å; A370-T373 WeakPolarHBondContact O-CB 3.39Å; A370-T373 PolarHBondContact O-N 2.86Å; A370-T373 VanDerWaalsContact O-N 3.15Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 2.99Å; T373-Q376 WeakPolarHBondContact O-CB 3.49Å; T373-Q376 PolarHBondContact O-N 3.21Å; T373-E377 HydrophobicContact CG2-CG 4.45Å; T373-E377 WeakPolarHBondContact O-CB 3.27Å; T373-E377 WeakPolarHBondContact O-CG 3.27Å; T373-E377 PolarHBondContact O-N 2.95Å |
| 374 | D | 92.5 | Very high | 90 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 178 | -71.4 | -8.3 | 0 | 0 | 0 | 111.9 | K323 A370 V371 V372 Q376 E377 L378 | K323-D374 WeakPolarHBondContact CE-OD2 3.46Å; K323-D374 IonicContact NZ-OD2 3.63Å; K323-D374 PolarHBondContact NZ-OD2 3.29Å; A370-D374 PolarHBondContact O-N 3.31Å; V371-D374 PolarHBondContact O-N 3.15Å; V372-D374 VanDerWaalsContact C-N 3.35Å; D374-Q376 VanDerWaalsContact C-N 3.33Å; D374-Q376 PolarHBondContact O-N 3.04Å; D374-E377 PolarHBondContact O-N 2.98Å; D374-L378 VanDerWaalsContact O-CB 3.24Å; D374-L378 WeakPolarHBondContact O-CB 3.41Å; D374-L378 PolarHBondContact O-N 2.9Å |
| 375 | L | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.4 | -76 | 174.9 | 0 | 0 | 0 | 111.8 | L311 N327 L330 V331 L344 I347 L351 V371 V372 T379 | L311-L375 HydrophobicContact CD2-CD1 3.89Å; L311-L375 HydrophobicContact CD2-CD2 4.33Å; L311-L375 HydrophobicContact CD2-CG 4.22Å; N327-L375 HydrophobicContact CB-CD2 4.49Å; N327-L375 VanDerWaalsContact OD1-CD2 3.31Å; N327-L375 WeakPolarHBondContact OD1-CD2 3.35Å; L330-L375 HydrophobicContact CB-CD2 3.95Å; L330-L375 HydrophobicContact CD1-CD1 4.3Å; L330-L375 HydrophobicContact CD1-CD2 4.37Å; V331-L375 HydrophobicContact CG2-CD2 4.1Å; L344-L375 HydrophobicContact CD1-CB 4.34Å; I347-L375 HydrophobicContact CG2-CD1 4.07Å; L351-L375 HydrophobicContact CD1-CD1 4.27Å; V371-L375 HydrophobicContact CG1-CD1 4.21Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.96Å; V372-L375 PolarHBondContact O-N 2.73Å; L375-T379 WeakPolarHBondContact O-CB 3.39Å; L375-T379 PolarHBondContact O-N 2.87Å; L375-T379 PolarHBondContact O-OG1 3.41Å |
| 376 | Q | 92.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -47.3 | 177.8 | -78.7 | -172.4 | 20.3 | 0 | 0 | 112 | L344 V372 T373 D374 R380 | L344-Q376 HydrophobicContact CD1-CG 3.93Å; L344-Q376 HydrophobicContact CD2-CB 4.42Å; L344-Q376 HydrophobicContact CD2-CG 3.47Å; L344-Q376 VanDerWaalsContact CD2-CG 3.47Å; L344-Q376 HydrophobicContact CG-CG 4.02Å; V372-Q376 HydrophobicContact CG1-CG 4.28Å; V372-Q376 VanDerWaalsContact O-CB 3.31Å; V372-Q376 WeakPolarHBondContact O-CB 3.23Å; V372-Q376 WeakPolarHBondContact O-CG 3.4Å; V372-Q376 PolarHBondContact O-N 3.28Å; T373-Q376 WeakPolarHBondContact O-CB 3.49Å; T373-Q376 PolarHBondContact O-N 3.21Å; D374-Q376 VanDerWaalsContact C-N 3.33Å; D374-Q376 PolarHBondContact O-N 3.04Å; Q376-R380 VanDerWaalsContact O-CG 3.26Å; Q376-R380 WeakPolarHBondContact O-CG 3.41Å; Q376-R380 PolarHBondContact O-N 3.3Å; Q376-R380 VanDerWaalsContact OE1-NH2 3.09Å |
| 377 | E | 92.4 | Very high | 89.9 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 179.8 | -72.1 | -164.9 | 173.4 | 0 | 0 | 111.4 | T373 D374 T379 R380 R381 | T373-E377 HydrophobicContact CG2-CG 4.45Å; T373-E377 WeakPolarHBondContact O-CB 3.27Å; T373-E377 WeakPolarHBondContact O-CG 3.27Å; T373-E377 PolarHBondContact O-N 2.95Å; D374-E377 PolarHBondContact O-N 2.98Å; E377-T379 PolarHBondContact O-N 3.37Å; E377-R380 WeakPolarHBondContact O-CB 3.48Å; E377-R380 PolarHBondContact O-N 2.83Å; E377-R380 VanDerWaalsContact O-N 3.13Å; E377-R381 VanDerWaalsContact O-CG 3.22Å; E377-R381 WeakPolarHBondContact O-CG 3.17Å; E377-R381 PolarHBondContact O-N 2.91Å; E377-R381 IonicContact OE2-CZ 3.59Å; E377-R381 IonicContact OE2-NH2 3.16Å; E377-R381 PolarHBondContact OE2-NH2 3.06Å |
| 378 | L | 92 | Very high | 88.8 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | -180 | -171.3 | 60.1 | 0 | 0 | 0 | 111.4 | Q54 N327 V331 D374 R380 R381 V382 | Q54-L378 HydrophobicContact CB-CD1 4.18Å; Q54-L378 HydrophobicContact CG-CD1 3.99Å; Q54-L378 HydrophobicContact CG-CD2 4.25Å; N327-L378 HydrophobicContact CB-CD2 3.93Å; V331-L378 HydrophobicContact CG2-CB 4.05Å; V331-L378 HydrophobicContact CG2-CD2 3.88Å; V331-L378 HydrophobicContact CG2-CG 3.95Å; D374-L378 VanDerWaalsContact O-CB 3.24Å; D374-L378 WeakPolarHBondContact O-CB 3.41Å; D374-L378 PolarHBondContact O-N 2.9Å; L378-R380 VanDerWaalsContact C-N 3.27Å; L378-R380 PolarHBondContact O-N 3.33Å; L378-R381 PolarHBondContact O-N 3.38Å; L378-V382 HydrophobicContact CD1-CG2 4.02Å; L378-V382 HydrophobicContact CG-CG2 4.19Å; L378-V382 WeakPolarHBondContact O-CG2 3.43Å; L378-V382 PolarHBondContact O-N 2.78Å |
| 379 | T | 91.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.6 | -44.9 | 173.7 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | I334 I335 L375 E377 R383 | I334-T379 HydrophobicContact CG2-CG2 3.81Å; I335-T379 HydrophobicContact CG1-CG2 4.24Å; L375-T379 WeakPolarHBondContact O-CB 3.39Å; L375-T379 PolarHBondContact O-N 2.87Å; L375-T379 PolarHBondContact O-OG1 3.41Å; E377-T379 PolarHBondContact O-N 3.37Å; T379-R383 VanDerWaalsContact CG2-CZ 3.47Å; T379-R383 WeakPolarHBondContact O-CG 3.44Å; T379-R383 PolarHBondContact O-N 3.08Å |
| 380 | R | 89.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 54 Ų | 54 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 178.2 | -71.6 | 178.7 | -160.3 | 112.5 | 1 | 112 | Q376 E377 L378 R384 | Q376-R380 VanDerWaalsContact O-CG 3.26Å; Q376-R380 WeakPolarHBondContact O-CG 3.41Å; Q376-R380 PolarHBondContact O-N 3.3Å; Q376-R380 VanDerWaalsContact OE1-NH2 3.09Å; E377-R380 WeakPolarHBondContact O-CB 3.48Å; E377-R380 PolarHBondContact O-N 2.83Å; E377-R380 VanDerWaalsContact O-N 3.13Å; L378-R380 VanDerWaalsContact C-N 3.27Å; L378-R380 PolarHBondContact O-N 3.33Å; R380-R384 WeakPolarHBondContact O-CG 3.34Å; R380-R384 PolarHBondContact O-NE 3.38Å; R380-R384 PolarHBondContact O-NH1 3.35Å |
| 381 | R | 92.1 | Very high | 80.9 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.4 | -44.4 | -178.8 | -67.3 | 169.1 | -164.6 | -175.4 | 7.7 | 111.8 | P45 S47 T56 E87 E377 L378 R384 | P45-R381 HydrophobicContact CB-CG 4.36Å; S47-R381 PolarHBondContact N-O 2.99Å; S47-R381 WeakPolarHBondContact OG-CB 3.36Å; S47-R381 WeakPolarHBondContact OG-CD 3.36Å; T56-R381 PolarHBondContact OG1-NH1 3.08Å; E87-R381 IonicContact OE2-CZ 2.78Å; E87-R381 IonicContact OE2-NH1 3.61Å; E87-R381 PolarHBondContact OE2-NH1 3.37Å; E377-R381 VanDerWaalsContact O-CG 3.22Å; E377-R381 WeakPolarHBondContact O-CG 3.17Å; E377-R381 PolarHBondContact O-N 2.91Å; E377-R381 IonicContact OE2-CZ 3.59Å; E377-R381 IonicContact OE2-NH2 3.16Å; E377-R381 PolarHBondContact OE2-NH2 3.06Å; L378-R381 PolarHBondContact O-N 3.38Å; R381-R384 WeakPolarHBondContact O-CB 3.46Å; R381-R384 PolarHBondContact O-N 3.25Å |
| 382 | V | 89.9 | Confident | 77.7 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -179.1 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | V331 I335 L378 R384 V385 | V331-V382 HydrophobicContact CG1-CB 4.27Å; V331-V382 HydrophobicContact CG1-CG2 4.2Å; I335-V382 HydrophobicContact CD1-CB 3.91Å; I335-V382 HydrophobicContact CD1-CG1 3.62Å; L378-V382 HydrophobicContact CD1-CG2 4.02Å; L378-V382 HydrophobicContact CG-CG2 4.19Å; L378-V382 WeakPolarHBondContact O-CG2 3.43Å; L378-V382 PolarHBondContact O-N 2.78Å; V382-R384 PolarHBondContact O-N 2.79Å; V382-V385 PolarHBondContact O-N 2.94Å |
| 383 | R | 86.7 | Confident | 74.8 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.2 | 176.3 | -78.8 | -173.5 | -176.3 | 138.5 | 30.6 | 115.5 | I335 T379 V385 | I335-R383 HydrophobicContact CD1-CG 3.96Å; I335-R383 HydrophobicContact CG1-CG 4.01Å; T379-R383 VanDerWaalsContact CG2-CZ 3.47Å; T379-R383 WeakPolarHBondContact O-CG 3.44Å; T379-R383 PolarHBondContact O-N 3.08Å; R383-V385 VanDerWaalsContact C-N 3.31Å |
| 384 | R | 86.8 | Confident | 71.6 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 27% | 0.272 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.8 | 179 | -63.8 | 176.2 | -173.1 | 112.5 | 14.4 | 112.8 | H22 P45 F46 R380 R381 V382 | H22-R384 PolarHBondContact ND1-O 2.78Å; P45-R384 PolarHBondContact O-NH1 2.83Å; F46-R384 HydrophobicContact CB-CB 4.04Å; R380-R384 WeakPolarHBondContact O-CG 3.34Å; R380-R384 PolarHBondContact O-NE 3.38Å; R380-R384 PolarHBondContact O-NH1 3.35Å; R381-R384 WeakPolarHBondContact O-CB 3.46Å; R381-R384 PolarHBondContact O-N 3.25Å; V382-R384 PolarHBondContact O-N 2.79Å |
| 385 | V | 83.8 | Confident | 68.5 | Low | 25 Ų | 25 | 77 Ų | 77 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | trans | -121.1 | 134 | -174.8 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | F20 Q21 H22 F46 S47 T48 V382 R383 | F20-V385 HydrophobicContact CB-CG1 3.75Å; F20-V385 HydrophobicContact CD1-CG1 3.94Å; F20-V385 HydrophobicContact CG-CG1 4.31Å; Q21-V385 WeakPolarHBondContact O-CA 3.48Å; H22-V385 HydrophobicContact CB-CG2 4.46Å; F46-V385 HydrophobicContact CB-CG2 3.95Å; F46-V385 HydrophobicContact CD2-CG2 3.59Å; F46-V385 HydrophobicContact CG-CG2 4.22Å; S47-V385 VanDerWaalsContact O-CG2 3.24Å; S47-V385 WeakPolarHBondContact O-CG2 3.46Å; T48-V385 HydrophobicContact CG2-CG1 4.38Å; V382-V385 PolarHBondContact O-N 2.94Å; R383-V385 VanDerWaalsContact C-N 3.31Å | ||
| 386 | S | 84.2 | Confident | 65.4 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.9 | 169.4 | 48.6 | 0 | 0 | 0 | 0 | 110 | F20 Q21 | F20-S386 CarbonylContact C-O 3.52Å; F20-S386 WeakPolarHBondContact CA-O 3.42Å; Q21-S386 PolarHBondContact N-O 3.01Å; Q21-S386 PolarHBondContact O-N 3.37Å; Q21-S386 PolarHBondContact O-OG 2.77Å |
| 387 | L | 81.8 | Confident | 62.3 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122 | 164.2 | -75.1 | 165.6 | 0 | 0 | 0 | 107.8 | I18 F20 H389 | I18-L387 HydrophobicContact CG2-CD2 3.54Å; F20-L387 HydrophobicContact CD1-CD2 3.62Å; F20-L387 HydrophobicContact CD1-CG 4.43Å; F20-L387 HydrophobicContact CE1-CD2 3.3Å; F20-L387 HydrophobicContact CE1-CG 4.29Å; F20-L387 HydrophobicContact CG-CD2 4.5Å; F20-L387 HydrophobicContact CZ-CD2 3.95Å; L387-H389 PolarHBondContact O-N 3.32Å |
| 388 | S | 65.2 | Low | 59.1 | Low | 37 Ų | 37 | 90.3 Ų | 90.3 | 26% | 0.259 | 51% | 0.506 | S | S | . | . | trans | -82 | 110.9 | 171.6 | 55.9 | 0 | 0 | 0 | 0 | 108.2 | S19 S390 | S19-S388 WeakPolarHBondContact CB-OG 3.41Å; S19-S388 PolarHBondContact O-N 2.83Å; S19-S388 PolarHBondContact O-OG 2.9Å; S19-S388 PolarHBondContact OG-OG 2.91Å; S388-S390 PolarHBondContact O-N 3.21Å | ||
| 389 | H | 42.1 | Very low | 56 | Low | 170 Ų | 170 | 94.8 Ų | 94.8 | 79% | 0.787 | 54% | 0.538 | S | S | * | . | trans | -67.4 | 114.6 | 165.2 | -65.4 | -64.9 | 0 | 0 | 0 | 108 | L387 | L387-H389 PolarHBondContact O-N 3.32Š| ||
| 390 | S | 29.5 | Very low | 53 | Low | 91 Ų | 91 | 100.9 Ų | 100.9 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | trans | -51.8 | 132.2 | 164.5 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | S388 S392 | S388-S390 PolarHBondContact O-N 3.21Å; S390-S392 VanDerWaalsContact C-N 3.28Å; S390-S392 PolarHBondContact O-N 3.06Å | ||
| 391 | P | 32.6 | Very low | 49.9 | Very low | 131 Ų | 131 | 103.1 Ų | 103.1 | 85% | 0.851 | 60% | 0.598 | S | S | * | * | trans | -74.4 | 84 | -179.3 | 29.7 | -32.3 | 0 | 0 | 0 | 109.5 | Q393 | P391-Q393 PolarHBondContact O-N 2.9Š| ||
| 392 | S | 27.2 | Very low | 46.9 | Very low | 110 Ų | 110 | 105.6 Ų | 105.6 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | trans | -79.3 | 103 | 156.5 | 48.4 | 0 | 0 | 0 | 0 | 107.8 | S390 S394 | S390-S392 VanDerWaalsContact C-N 3.28Å; S390-S392 PolarHBondContact O-N 3.06Å; S392-S394 PolarHBondContact O-N 3.16Å | ||
| 393 | Q | 31.7 | Very low | 43.9 | Very low | 189 Ų | 189 | 110.6 Ų | 110.6 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -9.7 | 107.6 | 166.6 | -61.4 | 177.7 | 0.5 | 0 | 0 | 115.9 | P391 | P391-Q393 PolarHBondContact O-N 2.9Š|
| 394 | S | 25.2 | Very low | 41.1 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | -178.2 | 120.2 | 123.1 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | S392 H396 | S392-S394 PolarHBondContact O-N 3.16Å; S394-H396 PolarHBondContact O-N 3.29Å | |||
| 395 | S | 28.1 | Very low | 38.4 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | trans | -52.9 | 124.8 | 170.2 | 44.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 396 | H | 27.6 | Very low | 35.6 | Very low | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | -153.5 | 118.9 | 134.7 | -83.3 | -54.7 | 0 | 0 | 0 | 110.1 | S394 | S394-H396 PolarHBondContact O-N 3.29Š| ||
| 397 | S | 27.4 | Very low | 32.7 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -68.9 | 137.2 | 174.2 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 398 | S | 25.9 | Very low | 30 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -141.2 | 94.2 | 154.8 | 33.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 399 | S | 26.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -59.4 | 141.8 | 161.4 | -51.5 | 0 | 0 | 0 | 0 | 109.9 | L401 | S399-L401 PolarHBondContact O-N 3.44Š| ||
| 400 | P | 28.1 | Very low | 27.3 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 118.9 | 170.5 | 29.9 | -29.1 | 0 | 0 | 0 | 109.7 | A402 | P400-A402 PolarHBondContact O-N 3.36Š| ||
| 401 | L | 25.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 115.5 | 173.6 | -152.1 | 84.2 | 0 | 0 | 0 | 109.1 | S399 | S399-L401 PolarHBondContact O-N 3.44Š| ||
| 402 | A | 28 | Very low | 27.2 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 139.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P400 | P400-A402 PolarHBondContact O-N 3.36Š| ||
| 403 | T | 27.7 | Very low | 27.1 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -169.8 | 161.8 | 154.3 | 10 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 404 | P | 28.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | -120.3 | 176.8 | -120.5 | 24.2 | -0.4 | 0 | 0 | 0 | 115 | |||||
| 405 | T | 29.6 | Very low | 27.3 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -57.8 | 142.3 | 173.9 | 41.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 406 | N | 25.5 | Very low | 27.5 | Very low | 171 Ų | 171 | 121 Ų | 121 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | 171 | 140.4 | 140.8 | -88.4 | -15.6 | 0 | 0 | 0 | 107 | ||||
| 407 | G | 23.1 | Very low | 27.3 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | 162.3 | 142.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 408 | S | 24.8 | Very low | 27.1 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 98% | 0.979 | 80% | 0.804 | S | S | * | * | trans | 84.1 | 127 | 156.1 | -150.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 409 | G | 26.3 | Very low | 27 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 152.6 | 78.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 410 | S | 24.8 | Very low | 27.2 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -76 | -170.9 | 171.5 | -47 | 0 | 0 | 0 | 0 | 113 | ||||
| 411 | P | 33.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | -126.9 | 164.7 | -58.7 | 34 | -17.3 | 0 | 0 | 0 | 112.7 | |||||
| 412 | S | 25.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -152 | 138.3 | 158.2 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 413 | V | 25.9 | Very low | 27.3 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -148.2 | 159 | -173.2 | 177.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 414 | P | 35.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -132.7 | 175.6 | -25.5 | 35.1 | -17 | 0 | 0 | 0 | 116.5 | ||||
| 415 | A | 25.4 | Very low | 27.2 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | 76.3 | 166.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 416 | P | 32 | Very low | 27.2 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | cis | -131.7 | 170.9 | -10.8 | 21.1 | 4.1 | 0 | 0 | 0 | 116.1 | ||||
| 417 | F | 23 | Very low | 27.3 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 25.2 | 121.6 | 152.4 | -76.7 | -92.8 | 0 | 0 | 0 | 121.1 | ||||
| 418 | D | 23.9 | Very low | 27.5 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | -159.6 | 115.7 | 120.2 | -100.4 | -23.8 | 0 | 0 | 0 | 111.3 | |||||
| 419 | S | 23.9 | Very low | 27.8 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -108.2 | 145 | 149.2 | -63.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 420 | P | 31.3 | Very low | 28 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -148.5 | -174.1 | 54.7 | 32.3 | -8.3 | 0 | 0 | 0 | 114.9 | |||||
| 421 | T | 24.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 100.8 | 98.8 | 161.4 | 69.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 422 | S | 31.2 | Very low | 27.9 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 29.2 | 111.9 | 124.8 | -173.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 423 | R | 26.6 | Very low | 28 | Very low | 242 Ų | 242 | 139 Ų | 139 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 100.4 | 146.3 | -113.7 | 178.1 | -142.5 | -171.8 | 5.8 | 111.4 | K425 | R423-K425 PolarHBondContact O-N 3.47Š| ||
| 424 | F | 26.9 | Very low | 28.1 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -44.5 | 129.2 | 154.1 | -78.7 | -98.9 | 0 | 0 | 0 | 111 | ||||
| 425 | K | 27.1 | Very low | 27.6 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -121 | 93 | 151.5 | -79.5 | -177.4 | 174 | -179.1 | 0 | 104.6 | R423 | R423-K425 PolarHBondContact O-N 3.47Š| ||
| 426 | R | 29.5 | Very low | 27.8 | Very low | 225 Ų | 225 | 144.3 Ų | 144.3 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | 50.6 | 79.5 | 87.2 | -156.2 | -175.5 | -121.5 | -172.5 | 0.9 | 111.4 | |||||
| 427 | V | 28 | Very low | 27.5 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 58% | 0.576 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 109.1 | 157.3 | -178.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 428 | S | 27 | Very low | 27.8 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 123.7 | 169.9 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | A430 | S428-A430 PolarHBondContact O-N 3.43Š| ||
| 429 | L | 30.9 | Very low | 28.1 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 38% | 0.382 | 76% | 0.759 | S | S | . | * | trans | -80.1 | 90.2 | 166.2 | -65.5 | 166.8 | 0 | 0 | 0 | 107 | F306 | F306-L429 HydrophobicContact CE1-CD2 4.42Å; F306-L429 HydrophobicContact CE2-CD1 4.39Å; F306-L429 HydrophobicContact CZ-CD1 3.94Å; F306-L429 HydrophobicContact CZ-CD2 4.36Å | ||
| 430 | A | 30.4 | Very low | 28.5 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 100% | 1.107 | 76% | 0.76 | S | S | * | * | trans | -105.5 | 0 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | K296 S428 | K296-A430 PolarHBondContact NZ-OXT 3.5Å; S428-A430 PolarHBondContact O-N 3.43Å |
Retrieved 430 of 430 residues in 285.1 ms
(Link to these results)