| 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 | 35.1 | Very low | 28.9 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 100% | 1.167 | 83% | 0.831 | S | S | * | * | 0 | 81.2 | 0 | -160.5 | 177.3 | -163 | 0 | 0 | 102.2 | |||||
| 2 | D | 25.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -130.3 | 120.3 | -169.5 | -66.8 | -70 | 0 | 0 | 0 | 106 | I4 | D2-I4 PolarHBondContact O-N 3.48Š| ||
| 3 | D | 24.6 | Very low | 30.4 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -58.4 | 117.7 | 179.8 | -76.8 | -47.2 | 0 | 0 | 0 | 110 | A5 | D3-A5 PolarHBondContact O-N 3.15Å; D3-A5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | I | 27.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | trans | -76 | 96.6 | 166.5 | -61.7 | 175.5 | 0 | 0 | 0 | 106.3 | D2 V6 | D2-I4 PolarHBondContact O-N 3.48Å; I4-V6 PolarHBondContact O-N 3.26Å | ||
| 5 | A | 26.6 | Very low | 34 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -62.9 | 113.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | D3 | D3-A5 PolarHBondContact O-N 3.15Å; D3-A5 VanDerWaalsContact O-N 3.09Å | ||
| 6 | V | 29.6 | Very low | 37.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -66.6 | 124.8 | 166.3 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | I4 I8 | I4-V6 PolarHBondContact O-N 3.26Å; V6-I8 PolarHBondContact O-N 3.06Å; V6-I8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | P | 29.2 | Very low | 40.3 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 114.9 | 174.9 | -16.3 | 29.2 | 0 | 0 | 0 | 109.5 | ||||
| 8 | I | 29.4 | Very low | 43.2 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 82% | 0.821 | 72% | 0.722 | S | S | * | * | trans | -75.7 | 119.7 | 164.9 | -63.1 | 172.6 | 0 | 0 | 0 | 106.2 | V6 S10 | V6-I8 PolarHBondContact O-N 3.06Å; V6-I8 VanDerWaalsContact O-N 3.09Å; I8-S10 PolarHBondContact O-N 2.93Å | ||
| 9 | A | 26.9 | Very low | 45.8 | Very low | 92 Ų | 92 | 114.3 Ų | 114.3 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -58.2 | 120.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | S | 26.7 | Very low | 48.2 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -106.6 | 97.8 | 162.2 | 57.9 | 0 | 0 | 0 | 0 | 107.6 | I8 S12 | I8-S10 PolarHBondContact O-N 2.93Å; S10-S12 PolarHBondContact O-N 3.21Å | ||
| 11 | T | 36.7 | Very low | 50.3 | Low | 141 Ų | 141 | 107.2 Ų | 107.2 | 87% | 0.865 | 64% | 0.64 | S | S | * | * | trans | -73.9 | 107.3 | 171 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | S | 34.3 | Very low | 53.1 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | trans | -151.1 | 105 | 155.6 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | S10 | S10-S12 PolarHBondContact O-N 3.21Š| ||
| 13 | G | 42.6 | Very low | 56.4 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 77% | 0.773 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 83.7 | 122.9 | 159 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 14 | E | 50.1 | Low | 59.7 | Low | 195 Ų | 195 | 85.4 Ų | 85.4 | 91% | 0.911 | 53% | 0.529 | S | S | * | . | trans | 77.3 | 104.9 | 174.9 | -60.4 | -175.2 | 173.3 | 0 | 0 | 115.8 | S16 | E14-S16 PolarHBondContact O-N 3.1Å; E14-S16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | D | 65.6 | Low | 62.8 | Low | 86 Ų | 86 | 82.1 Ų | 82.1 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -47.1 | 117.1 | 161.5 | -99 | -9.8 | 0 | 0 | 0 | 108.3 | V17 K161 S163 | D15-V17 PolarHBondContact O-N 2.83Å; D15-K161 HydrophobicContact CB-CB 4.39Å; D15-K161 HydrophobicContact CB-CD 4.12Å; D15-K161 HydrophobicContact CB-CG 4.08Å; D15-S163 WeakPolarHBondContact OD2-CB 3.23Å; D15-S163 PolarHBondContact OD2-OG 2.84Å |
| 16 | S | 85.2 | Confident | 66 | Low | 56 Ų | 56 | 78.4 Ų | 78.4 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 140.4 | -179.9 | 101.5 | 0 | 0 | 0 | 0 | 109.3 | E14 E162 | E14-S16 PolarHBondContact O-N 3.1Å; E14-S16 VanDerWaalsContact O-N 3.1Å; S16-E162 VanDerWaalsContact O-CB 3.29Å; S16-E162 WeakPolarHBondContact O-CB 3.45Å; S16-E162 PolarHBondContact O-N 3.33Å; S16-E162 WeakPolarHBondContact OG-CB 3.46Å; S16-E162 PolarHBondContact OG-OE2 2.92Å |
| 17 | V | 90.1 | Very high | 69 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.8 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | D15 E96 K159 | D15-V17 PolarHBondContact O-N 2.83Å; V17-E96 HydrophobicContact CG2-CG 4.39Å; V17-K159 HydrophobicContact CG1-CB 3.7Å; V17-K159 HydrophobicContact CG1-CD 4.35Å; V17-K159 HydrophobicContact CG1-CG 4.32Å |
| 18 | I | 91.9 | Very high | 71.9 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 10% | 0.097 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134 | 178.6 | -51.3 | 177.1 | 0 | 0 | 0 | 108.9 | F20 Y50 K159 M160 E162 F165 L386 | I18-F20 HydrophobicContact CB-CE2 3.89Å; I18-F20 HydrophobicContact CB-CZ 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.26Å; I18-F20 HydrophobicContact CG2-CE1 4.25Å; I18-F20 HydrophobicContact CG2-CE2 3.57Å; I18-F20 HydrophobicContact CG2-CZ 3.57Å; I18-Y50 HydrophobicContact CD1-CD1 3.22Å; I18-Y50 HydrophobicContact CD1-CD2 4.1Å; I18-Y50 HydrophobicContact CD1-CE1 3.35Å; I18-Y50 HydrophobicContact CD1-CE2 4.22Å; I18-Y50 HydrophobicContact CD1-CG 3.6Å; I18-K159 WeakPolarHBondContact O-CA 3.32Å; I18-M160 PolarHBondContact N-O 3.21Å; I18-M160 PolarHBondContact O-N 3.17Å; I18-E162 HydrophobicContact CD1-CB 3.88Å; I18-E162 HydrophobicContact CD1-CG 4.04Å; I18-E162 HydrophobicContact CG1-CB 4.07Å; I18-F165 HydrophobicContact CD1-CD2 3.99Å; I18-F165 HydrophobicContact CD1-CE2 4.32Å; I18-L386 HydrophobicContact CG2-CD2 3.69Å |
| 19 | S | 92.7 | Very high | 74.7 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 6% | 0.056 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.8 | 177.2 | -161.5 | 0 | 0 | 0 | 0 | 111.5 | E157 S387 | S19-E157 WeakPolarHBondContact OG-CG 3.43Å; S19-E157 PolarHBondContact OG-OE1 3.47Å; S19-S387 WeakPolarHBondContact CB-OG 3.25Å; S19-S387 PolarHBondContact O-N 3.15Å; S19-S387 PolarHBondContact OG-OG 3.38Å |
| 20 | F | 93.6 | Very high | 77.6 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.6 | 178.6 | -61.1 | -90.4 | 0 | 0 | 0 | 110.1 | I18 T48 E157 I158 M160 F165 V384 L386 | I18-F20 HydrophobicContact CB-CE2 3.89Å; I18-F20 HydrophobicContact CB-CZ 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.26Å; I18-F20 HydrophobicContact CG2-CE1 4.25Å; I18-F20 HydrophobicContact CG2-CE2 3.57Å; I18-F20 HydrophobicContact CG2-CZ 3.57Å; F20-T48 HydrophobicContact CB-CG2 3.53Å; F20-T48 HydrophobicContact CD1-CG2 3.82Å; F20-T48 HydrophobicContact CD2-CG2 3.8Å; F20-T48 HydrophobicContact CE1-CG2 4.46Å; F20-T48 HydrophobicContact CE2-CG2 4.47Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; F20-E157 CarbonylContact O-C 3.59Å; F20-E157 VanDerWaalsContact O-CA 3.29Å; F20-E157 WeakPolarHBondContact O-CA 3.46Å; F20-I158 PolarHBondContact N-O 3.25Å; F20-I158 PolarHBondContact O-N 3.37Å; F20-M160 HydrophobicContact CE2-CB 4.39Å; F20-M160 HydrophobicContact CE2-SD 4.45Å; F20-F165 HydrophobicContact CE1-CZ 4.41Å; F20-F165 HydrophobicContact CE2-CE1 4.41Å; F20-F165 AromaticContact CE2-CE2 3.79Å; F20-F165 HydrophobicContact CE2-CE2 3.79Å; F20-F165 AromaticContact CE2-CZ 3.46Å; F20-F165 HydrophobicContact CE2-CZ 3.46Å; F20-F165 VanDerWaalsContact CE2-CZ 3.46Å; F20-F165 AromaticContact CZ-CE1 3.86Å; F20-F165 HydrophobicContact CZ-CE1 3.86Å; F20-F165 AromaticContact CZ-CE2 3.84Å; F20-F165 HydrophobicContact CZ-CE2 3.84Å; F20-F165 AromaticContact CZ-CZ 3.32Å; F20-F165 HydrophobicContact CZ-CZ 3.32Å; F20-V384 HydrophobicContact CB-CG1 3.79Å; F20-V384 HydrophobicContact CD1-CG1 3.94Å; F20-V384 HydrophobicContact CG-CG1 4.34Å; F20-L386 HydrophobicContact CD1-CD2 3.54Å; F20-L386 HydrophobicContact CD1-CG 4.46Å; F20-L386 HydrophobicContact CE1-CD2 3.27Å; F20-L386 HydrophobicContact CE1-CG 4.35Å; F20-L386 HydrophobicContact CG-CD2 4.4Å; F20-L386 HydrophobicContact CZ-CD2 3.94Å |
| 21 | Q | 93.2 | Very high | 80.3 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.8 | 177.4 | -168.5 | 176.1 | 63.3 | 0 | 0 | 111.5 | V155 V156 V384 S385 | Q21-V155 HydrophobicContact CG-CG1 3.58Å; Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.46Å; Q21-V384 WeakPolarHBondContact O-CA 3.47Å; Q21-S385 PolarHBondContact N-O 3.16Å; Q21-S385 PolarHBondContact O-N 3.32Å |
| 22 | H | 93.6 | Very high | 82.4 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 3% | 0.032 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.9 | 175.8 | -177.4 | 56.7 | 0 | 0 | 0 | 111.8 | F46 V156 R383 V384 | H22-F46 HydrophobicContact CB-CD2 3.84Å; H22-F46 HydrophobicContact CB-CE2 3.74Å; H22-F46 HydrophobicContact CB-CG 4.4Å; H22-F46 HydrophobicContact CB-CZ 4.26Å; H22-F46 AromaticContact CD2-CD1 3.4Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.38Å; H22-F46 AromaticContact CD2-CD2 3.85Å; H22-F46 AromaticContact CD2-CE1 3.53Å; H22-F46 AromaticContact CD2-CE2 3.95Å; H22-F46 AromaticContact CD2-CG 3.56Å; H22-F46 AromaticContact CD2-CZ 3.8Å; H22-F46 AromaticContact CE1-CG 3.85Å; H22-F46 AromaticContact CG-CD1 3.99Å; H22-F46 AromaticContact CG-CD2 3.6Å; H22-F46 AromaticContact CG-CE2 3.85Å; H22-F46 AromaticContact CG-CG 3.66Å; H22-F46 AromaticContact ND1-CG 3.84Å; H22-F46 AromaticContact NE2-CD1 3.48Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.37Å; H22-F46 AromaticContact NE2-CG 3.69Å; H22-V156 PolarHBondContact N-O 3.45Å; H22-V156 PolarHBondContact O-N 3.44Å; H22-R383 PolarHBondContact ND1-O 3.43Å; H22-V384 HydrophobicContact CB-CG2 4.49Å |
| 23 | P | 93.5 | Very high | 84.4 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 42% | 0.422 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.6 | 168.6 | 31.4 | -30.8 | 0 | 0 | 0 | 111.4 | L153 | P23-L153 HydrophobicContact CB-CD1 3.93Å |
| 24 | W | 94.7 | Very high | 86.2 | Confident | 24 Ų | 24 | 72 Ų | 72 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 100.1 | 174.4 | 175.1 | 32.4 | 0 | 0 | 0 | 110.7 | L26 N41 S43 L59 L61 L81 V154 | W24-L26 HydrophobicContact CD2-CB 4.47Å; W24-L26 HydrophobicContact CD2-CD2 4.07Å; W24-L26 HydrophobicContact CE3-CD2 4.12Å; W24-L26 HydrophobicContact CH2-CD1 4.15Å; W24-L26 HydrophobicContact CH2-CD2 4.36Å; W24-L26 HydrophobicContact CZ2-CB 3.89Å; W24-L26 HydrophobicContact CZ2-CD1 4.1Å; W24-L26 HydrophobicContact CZ2-CD2 4.28Å; W24-L26 HydrophobicContact CZ2-CG 4.32Å; W24-L26 HydrophobicContact CZ3-CD2 4.27Å; W24-N41 HydrophobicContact CH2-CB 4.34Å; W24-N41 HydrophobicContact CZ2-CB 4.38Å; W24-S43 VanDerWaalsContact CE2-CB 3.47Å; W24-L59 HydrophobicContact CB-CD1 4.13Å; W24-L59 HydrophobicContact CD2-CB 4.39Å; W24-L59 HydrophobicContact CD2-CD1 4.27Å; W24-L59 HydrophobicContact CE3-CB 3.6Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.27Å; W24-L59 HydrophobicContact CH2-CB 4.38Å; W24-L59 HydrophobicContact CZ3-CB 3.59Å; W24-L59 HydrophobicContact CZ3-CD1 4.43Å; W24-L61 HydrophobicContact CH2-CB 4.16Å; W24-L61 HydrophobicContact CZ3-CB 4.38Å; W24-L81 HydrophobicContact CZ3-CD1 4Å; W24-V154 HydrophobicContact CB-CB 4.32Å; W24-V154 HydrophobicContact CE3-CB 4.03Å; W24-V154 HydrophobicContact CE3-CG1 4.38Å; W24-V154 HydrophobicContact CE3-CG2 3.97Å; W24-V154 HydrophobicContact CZ3-CG2 4.43Å; W24-V154 PolarHBondContact N-O 3.34Å; W24-V154 PolarHBondContact O-N 2.97Å |
| 25 | T | 92.9 | Very high | 87.5 | Confident | 91 Ų | 91 | 70.5 Ų | 70.5 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121 | 167.7 | -47.6 | 0 | 0 | 0 | 0 | 109.4 | L152 | T25-L152 WeakPolarHBondContact CA-O 3.49Å |
| 26 | L | 93.1 | Very high | 88.1 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.2 | 174 | 73 | 145.7 | 0 | 0 | 0 | 111.8 | W24 V28 N41 L61 N151 L152 V154 | W24-L26 HydrophobicContact CD2-CB 4.47Å; W24-L26 HydrophobicContact CD2-CD2 4.07Å; W24-L26 HydrophobicContact CE3-CD2 4.12Å; W24-L26 HydrophobicContact CH2-CD1 4.15Å; W24-L26 HydrophobicContact CH2-CD2 4.36Å; W24-L26 HydrophobicContact CZ2-CB 3.89Å; W24-L26 HydrophobicContact CZ2-CD1 4.1Å; W24-L26 HydrophobicContact CZ2-CD2 4.28Å; W24-L26 HydrophobicContact CZ2-CG 4.32Å; W24-L26 HydrophobicContact CZ3-CD2 4.27Å; L26-V28 HydrophobicContact CD1-CG2 4.09Å; L26-V28 HydrophobicContact CG-CG2 4.45Å; L26-N41 HydrophobicContact CD1-CB 3.84Å; L26-L61 HydrophobicContact CD1-CD2 3.94Å; L26-N151 CarbonylContact O-C 3.52Å; L26-N151 VanDerWaalsContact O-CA 3.28Å; L26-N151 WeakPolarHBondContact O-CA 3.14Å; L26-L152 HydrophobicContact CD2-CB 4.2Å; L26-L152 HydrophobicContact CG-CB 4.5Å; L26-L152 PolarHBondContact N-O 2.62Å; L26-L152 PolarHBondContact O-N 3.31Å; L26-V154 HydrophobicContact CD2-CB 4.47Å; L26-V154 HydrophobicContact CD2-CG2 3.39Å |
| 27 | K | 92.4 | Very high | 87.8 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 48% | 0.478 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.4 | 157.9 | -171.8 | -179.6 | 179.6 | -173.7 | 0 | 107 | C29 N41 D149 S150 N151 | K27-C29 PolarHBondContact O-N 3.02Å; K27-C29 VanDerWaalsContact O-N 3.14Å; K27-N41 PolarHBondContact O-OD1 2.91Å; K27-D149 WeakPolarHBondContact CE-O 3.39Å; K27-S150 WeakPolarHBondContact CA-O 3.44Å; K27-N151 WeakPolarHBondContact CB-OD1 3.46Å |
| 28 | V | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -72.4 | 109.4 | -179.1 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | L26 L39 V144 K147 V148 D149 S150 L152 | L26-V28 HydrophobicContact CD1-CG2 4.09Å; L26-V28 HydrophobicContact CG-CG2 4.45Å; V28-L39 HydrophobicContact CG1-CD1 3.63Å; V28-L39 HydrophobicContact CG1-CG 4.38Å; V28-V144 HydrophobicContact CG1-CG1 4.07Å; V28-K147 WeakPolarHBondContact CB-O 3.46Å; V28-V148 HydrophobicContact CG1-CG2 4.12Å; V28-D149 PolarHBondContact O-N 3.17Å; V28-S150 PolarHBondContact N-O 3.34Å; V28-L152 HydrophobicContact CG2-CB 4.38Å; V28-L152 HydrophobicContact CG2-CD1 3.49Å; V28-L152 VanDerWaalsContact CG2-CD1 3.49Å; V28-L152 HydrophobicContact CG2-CG 3.82Å | ||
| 29 | C | 88.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | trans | -111 | 147.1 | 177.9 | -63 | 0 | 0 | 0 | 0 | 110.7 | K27 N41 | K27-C29 PolarHBondContact O-N 3.02Å; K27-C29 VanDerWaalsContact O-N 3.14Å; C29-N41 PolarHBondContact N-ND2 3.27Å; C29-N41 PolarHBondContact N-OD1 3.37Å; C29-N41 VanDerWaalsContact N-OD1 3.11Å; C29-N41 PolarHBondContact O-ND2 3.18Å | ||
| 30 | Q | 88.4 | Confident | 87.2 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 148.8 | 164.8 | -68.1 | -178.7 | -34.4 | 0 | 0 | 109.7 | T37 I38 V148 | Q30-T37 HydrophobicContact CB-CG2 3.51Å; Q30-T37 HydrophobicContact CG-CG2 4.09Å; Q30-I38 CarbonylContact C-O 3.46Å; Q30-I38 WeakPolarHBondContact CA-O 3.32Å; Q30-V148 HydrophobicContact CG-CG1 4.06Å; Q30-V148 HydrophobicContact CG-CG2 4.01Å |
| 31 | R | 82.3 | Confident | 87.3 | Confident | 146 Ų | 146 | 70.8 Ų | 70.8 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.6 | 174.7 | -66.1 | -173.9 | -178.2 | -170.7 | -0.8 | 108.6 | I38 | R31-I38 PolarHBondContact N-O 3.3Å; R31-I38 PolarHBondContact O-N 3.4Å |
| 32 | Q | 80.9 | Confident | 87.3 | Confident | 155 Ų | 155 | 71.5 Ų | 71.5 | 72% | 0.724 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.3 | 167.8 | -169.2 | 172.2 | -3.5 | 0 | 0 | 108.3 | E34 E36 | Q32-E34 PolarHBondContact NE2-O 2.94Å; Q32-E36 WeakPolarHBondContact CA-O 3.4Å |
| 33 | I | 76.9 | Confident | 87.4 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 112.4 | 172.1 | -58.3 | -171.1 | 0 | 0 | 0 | 105.8 | D35 E36 I38 | I33-D35 PolarHBondContact O-N 3.41Å; I33-E36 PolarHBondContact N-O 3.07Å; I33-E36 PolarHBondContact O-N 3.26Å; I33-E36 VanDerWaalsContact O-O 3.11Å; I33-I38 HydrophobicContact CD1-CD1 3.39Å; I33-I38 HydrophobicContact CD1-CG1 3.84Å; I33-I38 HydrophobicContact CG1-CD1 4.21Å; I33-I38 HydrophobicContact CG1-CG1 4.11Å |
| 34 | E | 80.7 | Confident | 87.3 | Confident | 173 Ų | 173 | 77 Ų | 77 | 81% | 0.808 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -120.7 | -172.1 | -56.3 | 177.9 | 173.2 | 0 | 0 | 110.9 | Q32 | Q32-E34 PolarHBondContact NE2-O 2.94Š|
| 35 | D | 78.1 | Confident | 87.3 | Confident | 162 Ų | 162 | 77.8 Ų | 77.8 | 87% | 0.866 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.2 | -180 | -68.5 | -28.5 | 0 | 0 | 0 | 113.2 | I33 | I33-D35 PolarHBondContact O-N 3.41Š|
| 36 | E | 76.9 | Confident | 87.3 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | -176.1 | -61.8 | -169.7 | 148 | 0 | 0 | 112.5 | Q32 I33 R77 | Q32-E36 WeakPolarHBondContact CA-O 3.4Å; I33-E36 PolarHBondContact N-O 3.07Å; I33-E36 PolarHBondContact O-N 3.26Å; I33-E36 VanDerWaalsContact O-O 3.11Å; E36-R77 IonicContact OE1-NH2 3.19Å; E36-R77 PolarHBondContact OE1-NH2 3.39Å; E36-R77 IonicContact OE2-CZ 2.75Å; E36-R77 IonicContact OE2-NH2 3.62Å; E36-R77 PolarHBondContact OE2-NH2 3.09Å |
| 37 | T | 79.4 | Confident | 87.4 | Confident | 71 Ų | 71 | 73 Ų | 73 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121 | 170.9 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | Q30 R77 | Q30-T37 HydrophobicContact CB-CG2 3.51Å; Q30-T37 HydrophobicContact CG-CG2 4.09Å; T37-R77 PolarHBondContact O-NH1 3.32Å |
| 38 | I | 84.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.5 | 177.9 | 66.6 | 158.9 | 0 | 0 | 0 | 111.2 | Q30 R31 I33 L40 | Q30-I38 CarbonylContact C-O 3.46Å; Q30-I38 WeakPolarHBondContact CA-O 3.32Å; R31-I38 PolarHBondContact N-O 3.3Å; R31-I38 PolarHBondContact O-N 3.4Å; I33-I38 HydrophobicContact CD1-CD1 3.39Å; I33-I38 HydrophobicContact CD1-CG1 3.84Å; I33-I38 HydrophobicContact CG1-CD1 4.21Å; I33-I38 HydrophobicContact CG1-CG1 4.11Å; I38-L40 HydrophobicContact CD1-CB 4.25Å |
| 39 | L | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 122.4 | 166.5 | -164.7 | 141.2 | 0 | 0 | 0 | 109.2 | V28 L61 T62 D63 V79 V144 | V28-L39 HydrophobicContact CG1-CD1 3.63Å; V28-L39 HydrophobicContact CG1-CG 4.38Å; L39-L61 HydrophobicContact CD2-CB 4.21Å; L39-L61 HydrophobicContact CD2-CD2 3.9Å; L39-L61 HydrophobicContact CD2-CG 3.65Å; L39-T62 CarbonylContact O-C 3.56Å; L39-T62 VanDerWaalsContact O-CA 3.22Å; L39-T62 WeakPolarHBondContact O-CA 3.24Å; L39-D63 HydrophobicContact CB-CB 4.33Å; L39-D63 VanDerWaalsContact CB-CG 3.43Å; L39-D63 WeakPolarHBondContact CB-OD2 3.44Å; L39-D63 PolarHBondContact N-OD2 3.36Å; L39-D63 PolarHBondContact O-N 2.9Å; L39-V79 HydrophobicContact CD2-CG1 4.42Å; L39-V144 HydrophobicContact CD1-CG1 3.46Å; L39-V144 VanDerWaalsContact CD1-CG1 3.46Å; L39-V144 HydrophobicContact CD2-CG1 4.43Å |
| 40 | L | 90.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 102.3 | 176.3 | -179.5 | 63.1 | 0 | 0 | 0 | 110.6 | I38 V42 R60 L61 | I38-L40 HydrophobicContact CD1-CB 4.25Å; L40-V42 HydrophobicContact CD1-CG2 4.47Å; L40-R60 HydrophobicContact CD1-CG 4.17Å; L40-R60 VanDerWaalsContact CD1-NE 3.28Å; L40-L61 WeakPolarHBondContact CA-O 3.24Å |
| 41 | N | 94.2 | Very high | 87.4 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131 | 179.2 | -62.5 | -86.9 | 0 | 0 | 0 | 109.1 | W24 L26 K27 C29 R60 L61 | W24-N41 HydrophobicContact CH2-CB 4.34Å; W24-N41 HydrophobicContact CZ2-CB 4.38Å; L26-N41 HydrophobicContact CD1-CB 3.84Å; K27-N41 PolarHBondContact O-OD1 2.91Å; C29-N41 PolarHBondContact N-ND2 3.27Å; C29-N41 PolarHBondContact N-OD1 3.37Å; C29-N41 VanDerWaalsContact N-OD1 3.11Å; C29-N41 PolarHBondContact O-ND2 3.18Å; N41-R60 CarbonylContact O-C 3.59Å; N41-R60 WeakPolarHBondContact O-CA 3.29Å; N41-L61 HydrophobicContact CB-CB 4.38Å; N41-L61 PolarHBondContact N-O 3.44Å; N41-L61 PolarHBondContact O-N 2.82Å |
| 42 | V | 93.9 | Very high | 87.6 | Confident | 94 Ų | 94 | 66.1 Ų | 66.1 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.7 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | L40 L59 R60 | L40-V42 HydrophobicContact CD1-CG2 4.47Å; V42-L59 CarbonylContact C-O 3.56Å; V42-L59 WeakPolarHBondContact CA-O 3.21Å; V42-R60 HydrophobicContact CG2-CB 4.44Å; V42-R60 HydrophobicContact CG2-CG 4.18Å |
| 43 | S | 94.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 159.6 | 176.7 | 82.5 | 0 | 0 | 0 | 0 | 110.9 | W24 L59 | W24-S43 VanDerWaalsContact CE2-CB 3.47Å; S43-L59 PolarHBondContact N-O 2.9Å; S43-L59 PolarHBondContact OG-N 2.89Å |
| 44 | R | 92.4 | Very high | 88.8 | Confident | 181 Ų | 181 | 55.4 Ų | 55.4 | 68% | 0.683 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 147.3 | 160 | -69 | -179.1 | 177.5 | 162.7 | -3 | 108.6 | ||
| 45 | P | 94.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 25% | 0.253 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 144.7 | 171.7 | -24.1 | 34.2 | 0 | 0 | 0 | 111.7 | T56 W57 K86 R380 | P45-T56 HydrophobicContact CB-CG2 3.83Å; P45-W57 VanDerWaalsContact CA-O 3.23Å; P45-W57 WeakPolarHBondContact CA-O 3.43Å; P45-K86 HydrophobicContact CB-CD 4.2Å; P45-K86 HydrophobicContact CG-CD 3.99Å; P45-R380 HydrophobicContact CB-CG 4.43Å |
| 46 | F | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.7 | 175.6 | 63.5 | -84.7 | 0 | 0 | 0 | 109.1 | H22 T56 W57 L59 L83 I158 V384 | H22-F46 HydrophobicContact CB-CD2 3.84Å; H22-F46 HydrophobicContact CB-CE2 3.74Å; H22-F46 HydrophobicContact CB-CG 4.4Å; H22-F46 HydrophobicContact CB-CZ 4.26Å; H22-F46 AromaticContact CD2-CD1 3.4Å; H22-F46 WeakPolarHBondContact CD2-CD1 3.38Å; H22-F46 AromaticContact CD2-CD2 3.85Å; H22-F46 AromaticContact CD2-CE1 3.53Å; H22-F46 AromaticContact CD2-CE2 3.95Å; H22-F46 AromaticContact CD2-CG 3.56Å; H22-F46 AromaticContact CD2-CZ 3.8Å; H22-F46 AromaticContact CE1-CG 3.85Å; H22-F46 AromaticContact CG-CD1 3.99Å; H22-F46 AromaticContact CG-CD2 3.6Å; H22-F46 AromaticContact CG-CE2 3.85Å; H22-F46 AromaticContact CG-CG 3.66Å; H22-F46 AromaticContact ND1-CG 3.84Å; H22-F46 AromaticContact NE2-CD1 3.48Å; H22-F46 WeakPolarHBondContact NE2-CD1 3.37Å; H22-F46 AromaticContact NE2-CG 3.69Å; F46-T56 CarbonylContact O-C 3.57Å; F46-T56 WeakPolarHBondContact O-CA 3.49Å; F46-W57 HydrophobicContact CD1-CB 4.35Å; F46-W57 HydrophobicContact CD2-CB 4.21Å; F46-W57 HydrophobicContact CE1-CB 3.82Å; F46-W57 HydrophobicContact CE2-CB 3.69Å; F46-W57 HydrophobicContact CE2-CG 4.15Å; F46-W57 HydrophobicContact CZ-CB 3.48Å; F46-W57 VanDerWaalsContact CZ-CB 3.48Å; F46-W57 HydrophobicContact CZ-CG 4.31Å; F46-W57 PolarHBondContact N-O 3.38Å; F46-W57 PolarHBondContact O-N 3.38Å; F46-L59 HydrophobicContact CE1-CD1 4.31Å; F46-L59 HydrophobicContact CE1-CG 4Å; F46-L59 HydrophobicContact CZ-CG 4.38Å; F46-L83 HydrophobicContact CZ-CD1 4.03Å; F46-I158 HydrophobicContact CE2-CD1 3.84Å; F46-I158 HydrophobicContact CZ-CD1 4.14Å; F46-V384 HydrophobicContact CB-CG2 4.06Å; F46-V384 HydrophobicContact CD2-CG2 3.72Å; F46-V384 HydrophobicContact CG-CG2 4.36Å |
| 47 | S | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.4 | -174.6 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | F55 T56 R380 V384 | S47-F55 CarbonylContact C-O 3.59Å; S47-F55 WeakPolarHBondContact CA-O 3.36Å; S47-T56 PolarHBondContact OG-OG1 3.01Å; S47-R380 PolarHBondContact N-O 2.92Å; S47-R380 WeakPolarHBondContact OG-CB 3.31Å; S47-R380 WeakPolarHBondContact OG-CD 3.1Å; S47-V384 WeakPolarHBondContact O-CB 3.23Å; S47-V384 WeakPolarHBondContact O-CG2 3.32Å |
| 48 | T | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.1 | 162.8 | 55 | 0 | 0 | 0 | 0 | 107.6 | F20 Q54 F55 W57 I158 V384 | F20-T48 HydrophobicContact CB-CG2 3.53Å; F20-T48 HydrophobicContact CD1-CG2 3.82Å; F20-T48 HydrophobicContact CD2-CG2 3.8Å; F20-T48 HydrophobicContact CE1-CG2 4.46Å; F20-T48 HydrophobicContact CE2-CG2 4.47Å; F20-T48 HydrophobicContact CG-CG2 3.44Å; F20-T48 VanDerWaalsContact CG-CG2 3.44Å; T48-Q54 VanDerWaalsContact O-CA 3.23Å; T48-Q54 WeakPolarHBondContact O-CA 3.41Å; T48-F55 PolarHBondContact N-O 2.73Å; T48-F55 PolarHBondContact O-N 3.41Å; T48-F55 PolarHBondContact OG1-O 2.84Å; T48-W57 PolarHBondContact OG1-NE1 3.21Å; T48-I158 HydrophobicContact CG2-CD1 4.4Å; T48-V384 HydrophobicContact CG2-CG1 4.32Å |
| 49 | S | 90.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.3 | -176.5 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | V53 | S49-V53 WeakPolarHBondContact CA-O 3.32Å |
| 50 | Y | 88.9 | Confident | 92.9 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 28% | 0.275 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 142.6 | 172.3 | -179.9 | -103.5 | 0 | 0 | 0 | 109 | I18 H52 V53 E162 F165 L386 | I18-Y50 HydrophobicContact CD1-CD1 3.22Å; I18-Y50 HydrophobicContact CD1-CD2 4.1Å; I18-Y50 HydrophobicContact CD1-CE1 3.35Å; I18-Y50 HydrophobicContact CD1-CE2 4.22Å; I18-Y50 HydrophobicContact CD1-CG 3.6Å; Y50-H52 PolarHBondContact O-N 3.02Å; Y50-H52 VanDerWaalsContact O-N 3.08Å; Y50-V53 PolarHBondContact N-O 3.14Å; Y50-V53 VanDerWaalsContact N-O 3.14Å; Y50-V53 PolarHBondContact O-N 3.45Å; Y50-E162 HydrophobicContact CE1-CG 3.87Å; Y50-E162 WeakPolarHBondContact CE1-OE1 3.18Å; Y50-E162 PolarHBondContact OH-OE1 3.02Å; Y50-F165 HydrophobicContact CD1-CB 3.63Å; Y50-F165 HydrophobicContact CD1-CD2 4.3Å; Y50-F165 AromaticContact CD1-CG 3.95Å; Y50-F165 HydrophobicContact CD1-CG 3.95Å; Y50-F165 HydrophobicContact CG-CB 4.42Å; Y50-F165 HydrophobicContact CG-CG 4.38Å; Y50-F165 WeakPolarHBondContact O-CD1 3.48Å; Y50-L386 HydrophobicContact CD2-CD1 4.48Å |
| 51 | K | 86.9 | Confident | 93.1 | Very high | 93 Ų | 93 | 32.2 Ų | 32.2 | 40% | 0.404 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 41.8 | -174.7 | -69 | 177.2 | -178.3 | 168.6 | 0 | 113.4 | V53 E162 | K51-V53 PolarHBondContact O-N 3.49Å; K51-V53 VanDerWaalsContact O-N 3.12Å; K51-E162 WeakPolarHBondContact CE-OE1 3.37Å; K51-E162 IonicContact NZ-OE1 2.66Å; K51-E162 PolarHBondContact NZ-OE1 3.33Å |
| 52 | H | 87.1 | Confident | 93 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 10.3 | -179.5 | -41.8 | -55.7 | 0 | 0 | 0 | 116.4 | Y50 Q54 V324 F328 D331 | Y50-H52 PolarHBondContact O-N 3.02Å; Y50-H52 VanDerWaalsContact O-N 3.08Å; H52-Q54 PolarHBondContact O-NE2 3.06Å; H52-V324 HydrophobicContact CB-CG1 4.28Å; H52-V324 WeakPolarHBondContact CB-O 3.42Å; H52-F328 AromaticContact CE1-CD2 3.95Å; H52-F328 WeakPolarHBondContact ND1-CA 3.49Å; H52-D331 IonicContact CE1-OD2 2.74Å; H52-D331 PolarHBondContact CE1-OD2 3.3Å; H52-D331 IonicContact ND1-OD2 3.41Å; H52-D331 PolarHBondContact ND1-OD2 3.23Å |
| 53 | V | 91.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137.6 | 170.3 | 177 | 0 | 0 | 0 | 0 | 109.2 | S49 Y50 K51 F55 P89 F165 P167 Y170 M323 | S49-V53 WeakPolarHBondContact CA-O 3.32Å; Y50-V53 PolarHBondContact N-O 3.14Å; Y50-V53 VanDerWaalsContact N-O 3.14Å; Y50-V53 PolarHBondContact O-N 3.45Å; K51-V53 PolarHBondContact O-N 3.49Å; K51-V53 VanDerWaalsContact O-N 3.12Å; V53-F55 HydrophobicContact CG1-CE2 4.07Å; V53-P89 HydrophobicContact CG1-CG 4.01Å; V53-F165 HydrophobicContact CB-CB 4.28Å; V53-F165 HydrophobicContact CB-CD1 4.01Å; V53-F165 HydrophobicContact CG1-CD1 4.21Å; V53-F165 WeakPolarHBondContact CG2-O 3.48Å; V53-F165 WeakPolarHBondContact O-CD1 3.41Å; V53-P167 HydrophobicContact CG2-CB 4.36Å; V53-P167 HydrophobicContact CG2-CG 3.66Å; V53-Y170 HydrophobicContact CG1-CE2 4.09Å; V53-M323 HydrophobicContact CB-CE 4.35Å; V53-M323 HydrophobicContact CB-SD 4.45Å; V53-M323 HydrophobicContact CG1-CE 4.04Å; V53-M323 HydrophobicContact CG1-SD 3.88Å; V53-M323 HydrophobicContact CG2-CE 3.86Å |
| 54 | Q | 91.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.065 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.5 | -179.2 | -50.6 | 84.1 | 22.7 | 0 | 0 | 114.5 | T48 H52 P89 L377 | T48-Q54 VanDerWaalsContact O-CA 3.23Å; T48-Q54 WeakPolarHBondContact O-CA 3.41Å; H52-Q54 PolarHBondContact O-NE2 3.06Å; Q54-P89 WeakPolarHBondContact O-CD 3.41Å; Q54-L377 HydrophobicContact CB-CD1 4.17Å; Q54-L377 HydrophobicContact CG-CD1 3.98Å; Q54-L377 HydrophobicContact CG-CD2 4.27Å |
| 55 | F | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.8 | 166.6 | -59.5 | -100.2 | 0 | 0 | 0 | 109.1 | S47 T48 V53 W57 Y85 P89 V93 M160 L164 F165 Y170 | S47-F55 CarbonylContact C-O 3.59Å; S47-F55 WeakPolarHBondContact CA-O 3.36Å; T48-F55 PolarHBondContact N-O 2.73Å; T48-F55 PolarHBondContact O-N 3.41Å; T48-F55 PolarHBondContact OG1-O 2.84Å; V53-F55 HydrophobicContact CG1-CE2 4.07Å; F55-W57 HydrophobicContact CB-CZ2 3.78Å; F55-W57 HydrophobicContact CG-CZ2 4.36Å; F55-W57 VanDerWaalsContact O-CD1 3.26Å; F55-W57 PolarHBondContact O-NE1 2.87Å; F55-Y85 HydrophobicContact CB-CE2 4.37Å; F55-Y85 AromaticContact CD1-CE2 3.84Å; F55-Y85 HydrophobicContact CD1-CE2 3.84Å; F55-P89 HydrophobicContact CD1-CG 4.49Å; F55-P89 HydrophobicContact CE1-CG 3.79Å; F55-P89 HydrophobicContact CE2-CG 4.38Å; F55-P89 HydrophobicContact CZ-CG 3.75Å; F55-V93 HydrophobicContact CD1-CB 4.4Å; F55-V93 HydrophobicContact CD1-CG1 4.49Å; F55-V93 HydrophobicContact CD1-CG2 4.07Å; F55-V93 HydrophobicContact CE1-CB 4.03Å; F55-V93 HydrophobicContact CE1-CG2 3.6Å; F55-V93 HydrophobicContact CZ-CG2 4.18Å; F55-M160 HydrophobicContact CB-CE 4.48Å; F55-M160 HydrophobicContact CD1-CE 4.12Å; F55-M160 HydrophobicContact CD2-CE 3.67Å; F55-M160 HydrophobicContact CD2-SD 4.46Å; F55-M160 HydrophobicContact CE1-CE 4.21Å; F55-M160 HydrophobicContact CE2-CE 3.77Å; F55-M160 HydrophobicContact CG-CE 3.84Å; F55-M160 HydrophobicContact CZ-CE 4.03Å; F55-L164 HydrophobicContact CE2-CB 4.18Å; F55-L164 HydrophobicContact CZ-CB 3.98Å; F55-F165 HydrophobicContact CD2-CD1 4.47Å; F55-F165 AromaticContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CZ 4Å; F55-F165 HydrophobicContact CE2-CD1 4.18Å; F55-F165 AromaticContact CE2-CE1 3.84Å; F55-F165 HydrophobicContact CE2-CE1 3.84Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; F55-Y170 VanDerWaalsContact CZ-OH 3.26Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.45Å |
| 56 | T | 94.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.3 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | P45 F46 S47 K86 E87 R380 | P45-T56 HydrophobicContact CB-CG2 3.83Å; F46-T56 CarbonylContact O-C 3.57Å; F46-T56 WeakPolarHBondContact O-CA 3.49Å; S47-T56 PolarHBondContact OG-OG1 3.01Å; T56-K86 HydrophobicContact CG2-CB 4.14Å; T56-K86 PolarHBondContact O-N 3.35Å; T56-E87 PolarHBondContact N-O 2.81Å; T56-E87 PolarHBondContact O-N 3.12Å; T56-R380 PolarHBondContact OG1-NH1 3.41Å; T56-R380 VanDerWaalsContact OG1-NH1 3.16Å |
| 57 | W | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 163.1 | -175.3 | -51.2 | 92.9 | 0 | 0 | 0 | 111.3 | P45 F46 T48 F55 L83 Y84 Y85 V93 V95 F122 I158 M160 | P45-W57 VanDerWaalsContact CA-O 3.23Å; P45-W57 WeakPolarHBondContact CA-O 3.43Å; F46-W57 HydrophobicContact CD1-CB 4.35Å; F46-W57 HydrophobicContact CD2-CB 4.21Å; F46-W57 HydrophobicContact CE1-CB 3.82Å; F46-W57 HydrophobicContact CE2-CB 3.69Å; F46-W57 HydrophobicContact CE2-CG 4.15Å; F46-W57 HydrophobicContact CZ-CB 3.48Å; F46-W57 VanDerWaalsContact CZ-CB 3.48Å; F46-W57 HydrophobicContact CZ-CG 4.31Å; F46-W57 PolarHBondContact N-O 3.38Å; F46-W57 PolarHBondContact O-N 3.38Å; T48-W57 PolarHBondContact OG1-NE1 3.21Å; F55-W57 HydrophobicContact CB-CZ2 3.78Å; F55-W57 HydrophobicContact CG-CZ2 4.36Å; F55-W57 VanDerWaalsContact O-CD1 3.26Å; F55-W57 PolarHBondContact O-NE1 2.87Å; W57-L83 HydrophobicContact CB-CD1 4.03Å; W57-L83 HydrophobicContact CE3-CD1 4.22Å; W57-L83 HydrophobicContact CE3-CD2 3.98Å; W57-L83 HydrophobicContact CE3-CG 3.97Å; W57-L83 HydrophobicContact CZ3-CD2 4.23Å; W57-Y84 CarbonylContact C-O 3.6Å; W57-Y84 WeakPolarHBondContact CA-O 3.43Å; W57-Y85 HydrophobicContact CE3-CD2 4.34Å; W57-Y85 HydrophobicContact CH2-CD2 4.17Å; W57-Y85 HydrophobicContact CH2-CG 4.44Å; W57-Y85 HydrophobicContact CZ2-CD2 4.49Å; W57-Y85 HydrophobicContact CZ3-CD2 4.1Å; W57-Y85 HydrophobicContact CZ3-CG 4.16Å; W57-V93 HydrophobicContact CH2-CG1 3.81Å; W57-V95 HydrophobicContact CH2-CG2 3.57Å; W57-V95 HydrophobicContact CZ2-CG2 4.33Å; W57-V95 HydrophobicContact CZ3-CG2 4.24Å; W57-F122 HydrophobicContact CZ3-CD1 4Å; W57-F122 HydrophobicContact CZ3-CE1 4.37Å; W57-F122 HydrophobicContact CZ3-CG 4.11Å; W57-I158 HydrophobicContact CD2-CD1 4.25Å; W57-I158 HydrophobicContact CG-CD1 4.12Å; W57-M160 HydrophobicContact CZ2-CE 3.9Å; W57-M160 HydrophobicContact CZ2-SD 3.86Å |
| 58 | A | 96.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y84 K86 | A58-Y84 PolarHBondContact N-O 3.26Å; A58-Y84 PolarHBondContact O-N 3.33Å; A58-K86 HydrophobicContact CB-CD 3.84Å; A58-K86 HydrophobicContact CB-CG 4.2Å |
| 59 | L | 96.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 147 | 174.4 | -63.2 | 165.5 | 0 | 0 | 0 | 110.2 | W24 V42 S43 F46 L81 H82 L83 V156 | W24-L59 HydrophobicContact CB-CD1 4.13Å; W24-L59 HydrophobicContact CD2-CB 4.39Å; W24-L59 HydrophobicContact CD2-CD1 4.27Å; W24-L59 HydrophobicContact CE3-CB 3.6Å; W24-L59 HydrophobicContact CE3-CD1 3.64Å; W24-L59 HydrophobicContact CE3-CG 4.27Å; W24-L59 HydrophobicContact CH2-CB 4.38Å; W24-L59 HydrophobicContact CZ3-CB 3.59Å; W24-L59 HydrophobicContact CZ3-CD1 4.43Å; V42-L59 CarbonylContact C-O 3.56Å; V42-L59 WeakPolarHBondContact CA-O 3.21Å; S43-L59 PolarHBondContact N-O 2.9Å; S43-L59 PolarHBondContact OG-N 2.89Å; F46-L59 HydrophobicContact CE1-CD1 4.31Å; F46-L59 HydrophobicContact CE1-CG 4Å; F46-L59 HydrophobicContact CZ-CG 4.38Å; L59-L81 HydrophobicContact CB-CD1 4.33Å; L59-L81 HydrophobicContact CD2-CD1 4.42Å; L59-H82 CarbonylContact C-O 3.45Å; L59-H82 VanDerWaalsContact CA-O 3.26Å; L59-H82 WeakPolarHBondContact CA-O 3.41Å; L59-L83 HydrophobicContact CD2-CB 4.32Å; L59-L83 HydrophobicContact CD2-CD1 3.7Å; L59-V156 HydrophobicContact CD1-CB 4.38Å; L59-V156 HydrophobicContact CD1-CG2 3.5Å; L59-V156 HydrophobicContact CD2-CG2 3.83Å; L59-V156 HydrophobicContact CG-CG2 4.31Å |
| 60 | R | 95.5 | Very high | 81.4 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 26% | 0.26 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.5 | 172.5 | 174.3 | -176.3 | 172.5 | -164 | -6.7 | 109.8 | L40 N41 V42 T62 L81 H82 Y84 | L40-R60 HydrophobicContact CD1-CG 4.17Å; L40-R60 VanDerWaalsContact CD1-NE 3.28Å; N41-R60 CarbonylContact O-C 3.59Å; N41-R60 WeakPolarHBondContact O-CA 3.29Å; V42-R60 HydrophobicContact CG2-CB 4.44Å; V42-R60 HydrophobicContact CG2-CG 4.18Å; R60-T62 HydrophobicContact CG-CG2 4.29Å; R60-T62 PolarHBondContact NH2-OG1 2.93Å; R60-T62 VanDerWaalsContact NH2-OG1 3.12Å; R60-L81 CarbonylContact O-C 3.57Å; R60-L81 WeakPolarHBondContact O-CA 3.49Å; R60-H82 HydrophobicContact CB-CB 4.28Å; R60-H82 PolarHBondContact N-O 3.21Å; R60-H82 PolarHBondContact O-N 2.83Å; R60-Y84 HydrophobicContact CB-CD2 4.17Å; R60-Y84 HydrophobicContact CB-CE2 3.7Å; R60-Y84 HydrophobicContact CG-CE2 4.43Å; R60-Y84 PolarHBondContact NH1-OH 2.93Å |
| 61 | L | 94.7 | Very high | 79.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120 | 170.4 | -169.4 | 71.5 | 0 | 0 | 0 | 107.9 | W24 L26 L39 L40 N41 V79 L80 L81 F140 V144 | W24-L61 HydrophobicContact CH2-CB 4.16Å; W24-L61 HydrophobicContact CZ3-CB 4.38Å; L26-L61 HydrophobicContact CD1-CD2 3.94Å; L39-L61 HydrophobicContact CD2-CB 4.21Å; L39-L61 HydrophobicContact CD2-CD2 3.9Å; L39-L61 HydrophobicContact CD2-CG 3.65Å; L40-L61 WeakPolarHBondContact CA-O 3.24Å; N41-L61 HydrophobicContact CB-CB 4.38Å; N41-L61 PolarHBondContact N-O 3.44Å; N41-L61 PolarHBondContact O-N 2.82Å; L61-V79 HydrophobicContact CD1-CG1 3.52Å; L61-V79 HydrophobicContact CG-CG1 3.89Å; L61-L80 WeakPolarHBondContact CA-O 3.43Å; L61-L81 HydrophobicContact CD1-CB 4.16Å; L61-L81 HydrophobicContact CD1-CD1 4.33Å; L61-F140 HydrophobicContact CD1-CE1 4.31Å; L61-F140 HydrophobicContact CD1-CZ 3.97Å; L61-V144 HydrophobicContact CD2-CG1 3.9Å |
| 62 | T | 91.8 | Very high | 77.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.1 | -171.8 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | L39 R60 E64 V79 L80 | L39-T62 CarbonylContact O-C 3.56Å; L39-T62 VanDerWaalsContact O-CA 3.22Å; L39-T62 WeakPolarHBondContact O-CA 3.24Å; R60-T62 HydrophobicContact CG-CG2 4.29Å; R60-T62 PolarHBondContact NH2-OG1 2.93Å; R60-T62 VanDerWaalsContact NH2-OG1 3.12Å; T62-E64 HydrophobicContact CG2-CG 3.85Å; T62-E64 WeakPolarHBondContact CG2-OE1 3.39Å; T62-V79 CarbonylContact O-C 3.56Å; T62-V79 WeakPolarHBondContact O-CA 3.25Å; T62-L80 PolarHBondContact N-O 3.04Å; T62-L80 PolarHBondContact O-N 2.98Å |
| 63 | D | 88 | Confident | 75 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.5 | 162.6 | -71.8 | -27.4 | 0 | 0 | 0 | 109 | L39 V79 H145 | L39-D63 HydrophobicContact CB-CB 4.33Å; L39-D63 VanDerWaalsContact CB-CG 3.43Å; L39-D63 WeakPolarHBondContact CB-OD2 3.44Å; L39-D63 PolarHBondContact N-OD2 3.36Å; L39-D63 PolarHBondContact O-N 2.9Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.48Å; D63-H145 IonicContact OD1-CE1 2.8Å; D63-H145 IonicContact OD1-NE2 2.68Å; D63-H145 IonicContact OD2-CE1 3.33Å |
| 64 | E | 82.8 | Confident | 72.7 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.6 | 172.1 | -68.2 | -168.4 | -176.5 | 0 | 0 | 111.5 | T62 V66 R77 H78 L80 H82 | T62-E64 HydrophobicContact CG2-CG 3.85Å; T62-E64 WeakPolarHBondContact CG2-OE1 3.39Å; E64-V66 PolarHBondContact O-N 3.38Å; E64-R77 CarbonylContact O-C 3.46Å; E64-R77 WeakPolarHBondContact O-CA 3.28Å; E64-H78 PolarHBondContact N-O 3.29Å; E64-H78 PolarHBondContact O-N 2.9Å; E64-L80 HydrophobicContact CB-CD1 3.93Å; E64-L80 HydrophobicContact CG-CD1 4.12Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.32Å; E64-H82 IonicContact OE1-CE1 3.26Å; E64-H82 PolarHBondContact OE1-CE1 3.29Å; E64-H82 IonicContact OE1-NE2 3.34Å; E64-H82 PolarHBondContact OE1-NE2 3.25Å |
| 65 | Y | 71.1 | Confident | 70.8 | Confident | 136 Ų | 136 | 67.9 Ų | 67.9 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 117 | 170.9 | -102.3 | -78.5 | 0 | 0 | 0 | 109.8 | N76 R77 | Y65-N76 WeakPolarHBondContact CA-O 3.4Å; Y65-N76 HydrophobicContact CD1-CB 3.7Å; Y65-N76 HydrophobicContact CE1-CB 3.88Å; Y65-R77 HydrophobicContact CD1-CG 4.35Å; Y65-R77 HydrophobicContact CD2-CG 3.82Å; Y65-R77 HydrophobicContact CE1-CG 4.24Å; Y65-R77 HydrophobicContact CE2-CG 3.74Å; Y65-R77 HydrophobicContact CG-CG 4.14Å |
| 66 | V | 61.8 | Low | 69.3 | Low | 52 Ų | 52 | 70.6 Ų | 70.6 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | trans | -95.7 | 112 | 169.5 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | E64 S68 N76 H78 | E64-V66 PolarHBondContact O-N 3.38Å; V66-S68 PolarHBondContact O-N 3.27Å; V66-N76 PolarHBondContact N-O 2.58Å; V66-N76 WeakPolarHBondContact O-CB 3.49Å; V66-H78 HydrophobicContact CG2-CB 4.5Å | ||
| 67 | L | 52.6 | Low | 68.4 | Low | 162 Ų | 162 | 72.1 Ų | 72.1 | 85% | 0.848 | 41% | 0.411 | S | S | * | . | trans | -61.6 | 103.8 | 173.8 | -70.6 | 167.9 | 0 | 0 | 0 | 108.9 | ||||
| 68 | S | 49.8 | Very low | 67.9 | Low | 55 Ų | 55 | 74.2 Ų | 74.2 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | trans | -92 | 128.4 | 170.3 | 66.3 | 0 | 0 | 0 | 0 | 109 | V66 N70 N76 | V66-S68 PolarHBondContact O-N 3.27Å; S68-N70 PolarHBondContact O-N 2.9Å; S68-N76 PolarHBondContact OG-ND2 3.4Å; S68-N76 VanDerWaalsContact OG-ND2 3.11Å; S68-N76 PolarHBondContact OG-OD1 3.23Å | ||
| 69 | N | 49.4 | Very low | 67.6 | Low | 165 Ų | 165 | 74 Ų | 74 | 88% | 0.882 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -69.4 | 7.1 | 178.1 | -83.3 | -7.1 | 0 | 0 | 0 | 114 | ||
| 70 | N | 48.1 | Very low | 67.4 | Low | 136 Ų | 136 | 75.2 Ų | 75.2 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | trans | -109.1 | 111.5 | -178.5 | -74.4 | -9.7 | 0 | 0 | 0 | 109.6 | S68 A72 | S68-N70 PolarHBondContact O-N 2.9Å; N70-A72 PolarHBondContact O-N 2.86Å | ||
| 71 | A | 43.5 | Very low | 67.4 | Low | 115 Ų | 115 | 71.9 Ų | 71.9 | 95% | 0.95 | 41% | 0.413 | S | S | * | . | trans | -74.7 | 39.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 72 | A | 42.6 | Very low | 67.5 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 67% | 0.669 | 41% | 0.413 | S | S | * | . | trans | -146.1 | 109.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | N70 | N70-A72 PolarHBondContact O-N 2.86Š| ||
| 73 | V | 42.3 | Very low | 67.7 | Low | 123 Ų | 123 | 72 Ų | 72 | 75% | 0.745 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 83.5 | 129.2 | 151.2 | -167 | 0 | 0 | 0 | 0 | 119.1 | ||
| 74 | D | 42 | Very low | 68.1 | Low | 142 Ų | 142 | 73.9 Ų | 73.9 | 76% | 0.759 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 56.3 | 123.1 | 161.8 | -65.5 | -18.1 | 0 | 0 | 0 | 120.3 | N76 | D74-N76 PolarHBondContact O-N 3.24Š|
| 75 | S | 52.8 | Low | 68.8 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | trans | 8 | 93.8 | 176 | 61.4 | 0 | 0 | 0 | 0 | 115.6 | R77 | S75-R77 PolarHBondContact O-N 3.2Š| ||
| 76 | N | 62.6 | Low | 69.9 | Low | 56 Ų | 56 | 69.4 Ų | 69.4 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | trans | -64.1 | 21.6 | 170.6 | -86 | -22.5 | 0 | 0 | 0 | 113.8 | Y65 V66 S68 D74 | Y65-N76 WeakPolarHBondContact CA-O 3.4Å; Y65-N76 HydrophobicContact CD1-CB 3.7Å; Y65-N76 HydrophobicContact CE1-CB 3.88Å; V66-N76 PolarHBondContact N-O 2.58Å; V66-N76 WeakPolarHBondContact O-CB 3.49Å; S68-N76 PolarHBondContact OG-ND2 3.4Å; S68-N76 VanDerWaalsContact OG-ND2 3.11Å; S68-N76 PolarHBondContact OG-OD1 3.23Å; D74-N76 PolarHBondContact O-N 3.24Å | ||
| 77 | R | 74.6 | Confident | 71.3 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 14% | 0.143 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.7 | 179.6 | -68.2 | -173.6 | -174.5 | -162.4 | -5.6 | 109.6 | E36 T37 E64 Y65 S75 | E36-R77 IonicContact OE1-NH2 3.19Å; E36-R77 PolarHBondContact OE1-NH2 3.39Å; E36-R77 IonicContact OE2-CZ 2.75Å; E36-R77 IonicContact OE2-NH2 3.62Å; E36-R77 PolarHBondContact OE2-NH2 3.09Å; T37-R77 PolarHBondContact O-NH1 3.32Å; E64-R77 CarbonylContact O-C 3.46Å; E64-R77 WeakPolarHBondContact O-CA 3.28Å; Y65-R77 HydrophobicContact CD1-CG 4.35Å; Y65-R77 HydrophobicContact CD2-CG 3.82Å; Y65-R77 HydrophobicContact CE1-CG 4.24Å; Y65-R77 HydrophobicContact CE2-CG 3.74Å; Y65-R77 HydrophobicContact CG-CG 4.14Å; S75-R77 PolarHBondContact O-N 3.2Å |
| 78 | H | 86.9 | Confident | 73.1 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.1 | 173.6 | -63.4 | -48.5 | 0 | 0 | 0 | 109.6 | E64 V66 | E64-H78 PolarHBondContact N-O 3.29Å; E64-H78 PolarHBondContact O-N 2.9Å; V66-H78 HydrophobicContact CG2-CB 4.5Å |
| 79 | V | 90.6 | Very high | 75 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 128.3 | 172 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | L39 L61 T62 D63 F140 T141 V144 | L39-V79 HydrophobicContact CD2-CG1 4.42Å; L61-V79 HydrophobicContact CD1-CG1 3.52Å; L61-V79 HydrophobicContact CG-CG1 3.89Å; T62-V79 CarbonylContact O-C 3.56Å; T62-V79 WeakPolarHBondContact O-CA 3.25Å; D63-V79 WeakPolarHBondContact OD1-CG2 3.48Å; V79-F140 HydrophobicContact CB-CD1 4.23Å; V79-F140 HydrophobicContact CB-CE1 4.1Å; V79-F140 HydrophobicContact CG1-CD1 4.32Å; V79-F140 HydrophobicContact CG1-CE1 3.71Å; V79-F140 HydrophobicContact CG1-CZ 4.36Å; V79-F140 WeakPolarHBondContact O-CD1 3.41Å; V79-F140 WeakPolarHBondContact O-CE1 3.23Å; V79-T141 HydrophobicContact CG2-CG2 4.07Å; V79-T141 PolarHBondContact N-OG1 3.21Å; V79-T141 VanDerWaalsContact N-OG1 3.13Å; V79-V144 HydrophobicContact CG1-CB 4.19Å; V79-V144 HydrophobicContact CG1-CG1 4.05Å; V79-V144 HydrophobicContact CG1-CG2 4.13Å; V79-V144 HydrophobicContact CG2-CB 4.2Å; V79-V144 HydrophobicContact CG2-CG1 4.23Å |
| 80 | L | 92.7 | Very high | 76.9 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.2 | 176.8 | -61.9 | -179.6 | 0 | 0 | 0 | 110.5 | L61 T62 E64 H82 P129 | L61-L80 WeakPolarHBondContact CA-O 3.43Å; T62-L80 PolarHBondContact N-O 3.04Å; T62-L80 PolarHBondContact O-N 2.98Å; E64-L80 HydrophobicContact CB-CD1 3.93Å; E64-L80 HydrophobicContact CG-CD1 4.12Å; E64-L80 WeakPolarHBondContact OE2-CD1 3.32Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.47Å; L80-P129 HydrophobicContact CD1-CB 4.42Å |
| 81 | L | 95.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.7 | 168.3 | 178.5 | 63.4 | 0 | 0 | 0 | 108.5 | W24 L59 R60 L61 A100 L115 I130 V154 | W24-L81 HydrophobicContact CZ3-CD1 4Å; L59-L81 HydrophobicContact CB-CD1 4.33Å; L59-L81 HydrophobicContact CD2-CD1 4.42Å; R60-L81 CarbonylContact O-C 3.57Å; R60-L81 WeakPolarHBondContact O-CA 3.49Å; L61-L81 HydrophobicContact CD1-CB 4.16Å; L61-L81 HydrophobicContact CD1-CD1 4.33Å; L81-A100 HydrophobicContact CD2-CB 3.8Å; L81-L115 HydrophobicContact CB-CD2 4.31Å; L81-L115 HydrophobicContact CD2-CD2 4.49Å; L81-I130 HydrophobicContact CD2-CD1 3.93Å; L81-I130 HydrophobicContact CG-CD1 4.01Å; L81-I130 PolarHBondContact O-N 2.87Å; L81-V154 HydrophobicContact CD2-CG1 3.79Å |
| 82 | H | 95.6 | Very high | 81.3 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.6 | 179.4 | -65.1 | 80.4 | 0 | 0 | 0 | 110.9 | L59 R60 E64 L80 Y84 W128 | L59-H82 CarbonylContact C-O 3.45Å; 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 3.21Å; R60-H82 PolarHBondContact O-N 2.83Å; E64-H82 IonicContact OE1-CE1 3.26Å; E64-H82 PolarHBondContact OE1-CE1 3.29Å; E64-H82 IonicContact OE1-NE2 3.34Å; E64-H82 PolarHBondContact OE1-NE2 3.25Å; L80-H82 VanDerWaalsContact CB-CE1 3.43Å; L80-H82 WeakPolarHBondContact CB-CE1 3.47Å; H82-Y84 HydrophobicContact CB-CD2 4.02Å; H82-Y84 HydrophobicContact CB-CE2 3.52Å; H82-W128 VanDerWaalsContact CA-O 3.28Å; H82-W128 WeakPolarHBondContact CA-O 3.21Å |
| 83 | L | 97.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.7 | 163.4 | -177.6 | 68.2 | 0 | 0 | 0 | 108.5 | F46 W57 L59 V98 F122 G127 W128 I158 | F46-L83 HydrophobicContact CZ-CD1 4.03Å; W57-L83 HydrophobicContact CB-CD1 4.03Å; W57-L83 HydrophobicContact CE3-CD1 4.22Å; W57-L83 HydrophobicContact CE3-CD2 3.98Å; W57-L83 HydrophobicContact CE3-CG 3.97Å; W57-L83 HydrophobicContact CZ3-CD2 4.23Å; L59-L83 HydrophobicContact CD2-CB 4.32Å; L59-L83 HydrophobicContact CD2-CD1 3.7Å; L83-V98 HydrophobicContact CD2-CG1 4.15Å; L83-V98 HydrophobicContact CD2-CG2 3.74Å; L83-F122 HydrophobicContact CB-CE1 4.19Å; L83-F122 HydrophobicContact CB-CZ 4.44Å; L83-F122 HydrophobicContact CD2-CE1 4.15Å; L83-F122 HydrophobicContact CD2-CZ 4Å; L83-F122 HydrophobicContact CG-CE1 4.15Å; L83-F122 HydrophobicContact CG-CZ 4.45Å; L83-F122 WeakPolarHBondContact O-CE1 3.42Å; L83-G127 CarbonylContact O-C 3.55Å; L83-G127 WeakPolarHBondContact O-CA 3.47Å; L83-W128 PolarHBondContact N-O 3.41Å; L83-W128 PolarHBondContact O-N 3.21Å; L83-I158 HydrophobicContact CD1-CD1 4.09Å; L83-I158 HydrophobicContact CD2-CD1 4.02Å; L83-I158 HydrophobicContact CD2-CG1 4.35Å |
| 84 | Y | 96.6 | Very high | 86.1 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.9 | 178 | -78.2 | -98.8 | 0 | 0 | 0 | 110.4 | W57 A58 R60 H82 S126 G127 | W57-Y84 CarbonylContact C-O 3.6Å; W57-Y84 WeakPolarHBondContact CA-O 3.43Å; A58-Y84 PolarHBondContact N-O 3.26Å; A58-Y84 PolarHBondContact O-N 3.33Å; R60-Y84 HydrophobicContact CB-CD2 4.17Å; R60-Y84 HydrophobicContact CB-CE2 3.7Å; R60-Y84 HydrophobicContact CG-CE2 4.43Å; R60-Y84 PolarHBondContact NH1-OH 2.93Å; H82-Y84 HydrophobicContact CB-CD2 4.02Å; H82-Y84 HydrophobicContact CB-CE2 3.52Å; Y84-S126 VanDerWaalsContact CA-O 3.32Å; Y84-S126 WeakPolarHBondContact CA-O 3.38Å; Y84-S126 WeakPolarHBondContact CD1-O 3.21Å; Y84-G127 VanDerWaalsContact CD1-CA 3.41Å |
| 85 | Y | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 110.1 | 168.2 | 176.8 | -142.4 | 0 | 0 | 0 | 108.6 | F55 W57 E87 G88 C90 V93 F122 R124 G125 S126 | F55-Y85 HydrophobicContact CB-CE2 4.37Å; F55-Y85 AromaticContact CD1-CE2 3.84Å; F55-Y85 HydrophobicContact CD1-CE2 3.84Å; W57-Y85 HydrophobicContact CE3-CD2 4.34Å; W57-Y85 HydrophobicContact CH2-CD2 4.17Å; W57-Y85 HydrophobicContact CH2-CG 4.44Å; W57-Y85 HydrophobicContact CZ2-CD2 4.49Å; W57-Y85 HydrophobicContact CZ3-CD2 4.1Å; W57-Y85 HydrophobicContact CZ3-CG 4.16Å; Y85-E87 VanDerWaalsContact CE2-C 3.44Å; Y85-E87 WeakPolarHBondContact CE2-O 3.41Å; Y85-G88 WeakPolarHBondContact OH-CA 3.32Å; Y85-G88 PolarHBondContact OH-N 2.93Å; Y85-C90 PolarHBondContact OH-O 2.78Å; Y85-V93 HydrophobicContact CD1-CG1 3.66Å; Y85-V93 HydrophobicContact CD2-CG1 4.19Å; Y85-V93 HydrophobicContact CE1-CB 4.39Å; Y85-V93 HydrophobicContact CE1-CG1 3.69Å; Y85-V93 HydrophobicContact CE2-CG1 4.21Å; Y85-V93 HydrophobicContact CG-CG1 3.94Å; Y85-F122 HydrophobicContact CD1-CB 4.13Å; Y85-F122 HydrophobicContact CG-CB 4.22Å; Y85-R124 HydrophobicContact CD1-CB 4.13Å; Y85-R124 HydrophobicContact CE1-CB 3.92Å; Y85-R124 HydrophobicContact CE1-CG 4.4Å; Y85-G125 WeakPolarHBondContact O-CA 3.47Å; Y85-G125 PolarHBondContact O-N 2.89Å; Y85-S126 PolarHBondContact N-O 3.42Å |
| 86 | K | 94.4 | Very high | 90.5 | Very high | 106 Ų | 106 | 37.7 Ų | 37.7 | 46% | 0.461 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -49 | -175.8 | -64.5 | -159 | 74.7 | 179.4 | 0 | 112.3 | P45 T56 A58 R124 | P45-K86 HydrophobicContact CB-CD 4.2Å; P45-K86 HydrophobicContact CG-CD 3.99Å; T56-K86 HydrophobicContact CG2-CB 4.14Å; T56-K86 PolarHBondContact O-N 3.35Å; A58-K86 HydrophobicContact CB-CD 3.84Å; A58-K86 HydrophobicContact CB-CG 4.2Å; K86-R124 VanDerWaalsContact O-CG 3.22Å; K86-R124 WeakPolarHBondContact O-CG 3.36Å |
| 87 | E | 91.8 | Very high | 92 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.463 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 147 | -166.8 | 179.8 | 177.4 | -149.8 | 0 | 0 | 109.9 | T56 Y85 R380 | T56-E87 PolarHBondContact N-O 2.81Å; T56-E87 PolarHBondContact O-N 3.12Å; Y85-E87 VanDerWaalsContact CE2-C 3.44Å; Y85-E87 WeakPolarHBondContact CE2-O 3.41Å; E87-R380 IonicContact OE2-CZ 2.58Å; E87-R380 IonicContact OE2-NH1 2.62Å; E87-R380 PolarHBondContact OE2-NH1 3.03Å; E87-R380 IonicContact OE2-NH2 3.09Å |
| 88 | G | 90.9 | Very high | 93 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | trans | 174.3 | -175.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y85 C90 R124 | Y85-G88 WeakPolarHBondContact OH-CA 3.32Å; Y85-G88 PolarHBondContact OH-N 2.93Å; G88-C90 VanDerWaalsContact C-N 3.29Å; G88-C90 PolarHBondContact O-N 2.74Å; G88-R124 PolarHBondContact O-NH2 3.17Å | ||
| 89 | P | 89.2 | Confident | 93.4 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 16% | 0.156 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -65.3 | -27.7 | -171.5 | 22.7 | -33.9 | 0 | 0 | 0 | 114.5 | V53 Q54 F55 Y170 M323 | V53-P89 HydrophobicContact CG1-CG 4.01Å; Q54-P89 WeakPolarHBondContact O-CD 3.41Å; F55-P89 HydrophobicContact CD1-CG 4.49Å; F55-P89 HydrophobicContact CE1-CG 3.79Å; F55-P89 HydrophobicContact CE2-CG 4.38Å; F55-P89 HydrophobicContact CZ-CG 3.75Å; P89-Y170 HydrophobicContact CB-CD1 3.65Å; P89-Y170 HydrophobicContact CB-CD2 3.7Å; P89-Y170 HydrophobicContact CB-CE1 3.6Å; P89-Y170 HydrophobicContact CB-CE2 3.67Å; P89-Y170 HydrophobicContact CB-CG 3.69Å; P89-Y170 HydrophobicContact CG-CD1 4.12Å; P89-Y170 HydrophobicContact CG-CD2 4.17Å; P89-Y170 HydrophobicContact CG-CE1 3.52Å; P89-Y170 HydrophobicContact CG-CE2 3.59Å; P89-Y170 HydrophobicContact CG-CG 4.4Å; P89-Y170 WeakPolarHBondContact CG-OH 3.32Å; P89-M323 HydrophobicContact CB-CE 4.01Å; P89-M323 HydrophobicContact CB-SD 3.64Å; P89-M323 HydrophobicContact CG-SD 4.06Å |
| 90 | C | 89.8 | Confident | 93.7 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -123.3 | 157.5 | -176.4 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | Y85 G88 E92 R124 Y170 | Y85-C90 PolarHBondContact OH-O 2.78Å; G88-C90 VanDerWaalsContact C-N 3.29Å; G88-C90 PolarHBondContact O-N 2.74Å; C90-E92 VanDerWaalsContact C-N 3.32Å; C90-E92 PolarHBondContact SG-O 3.08Å; C90-R124 VanDerWaalsContact C-NH2 3.28Å; C90-R124 PolarHBondContact O-NH2 3.47Å; C90-Y170 HydrophobicContact CB-CD1 4.11Å; C90-Y170 HydrophobicContact CB-CE1 3.87Å |
| 91 | P | 89.7 | Confident | 93.8 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.2 | -30.5 | 174.4 | 27.8 | -33.9 | 0 | 0 | 0 | 112.2 | S123 R124 | P91-S123 CarbonylContact O-C 3.56Å; P91-S123 WeakPolarHBondContact O-CA 3.05Å; P91-R124 PolarHBondContact O-N 2.97Å |
| 92 | E | 92.6 | Very high | 93.8 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.7 | -177 | -71.4 | 167.4 | 178.7 | 0 | 0 | 109.9 | C90 E121 F122 | C90-E92 VanDerWaalsContact C-N 3.32Å; C90-E92 PolarHBondContact SG-O 3.08Å; E92-E121 HydrophobicContact CB-CG 4.36Å; E92-F122 CarbonylContact C-O 3.58Å; E92-F122 VanDerWaalsContact CA-O 3.32Å; E92-F122 WeakPolarHBondContact CA-O 3.27Å |
| 93 | V | 93.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.7 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | F55 W57 Y85 E121 F122 M160 L164 | F55-V93 HydrophobicContact CD1-CB 4.4Å; F55-V93 HydrophobicContact CD1-CG1 4.49Å; F55-V93 HydrophobicContact CD1-CG2 4.07Å; F55-V93 HydrophobicContact CE1-CB 4.03Å; F55-V93 HydrophobicContact CE1-CG2 3.6Å; F55-V93 HydrophobicContact CZ-CG2 4.18Å; W57-V93 HydrophobicContact CH2-CG1 3.81Å; Y85-V93 HydrophobicContact CD1-CG1 3.66Å; Y85-V93 HydrophobicContact CD2-CG1 4.19Å; Y85-V93 HydrophobicContact CE1-CB 4.39Å; Y85-V93 HydrophobicContact CE1-CG1 3.69Å; Y85-V93 HydrophobicContact CE2-CG1 4.21Å; Y85-V93 HydrophobicContact CG-CG1 3.94Å; V93-E121 WeakPolarHBondContact O-CA 3.5Å; V93-F122 HydrophobicContact CG1-CB 3.91Å; V93-F122 PolarHBondContact N-O 3.04Å; V93-F122 PolarHBondContact O-N 2.7Å; V93-M160 HydrophobicContact CG2-CE 3.72Å; V93-L164 HydrophobicContact CG2-CD1 3.91Å; V93-L164 HydrophobicContact CG2-CD2 4.3Å |
| 94 | A | 92.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 43 Ų | 43 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L164 | A94-L164 WeakPolarHBondContact O-CD1 3.49Å |
| 95 | V | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.7 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | W57 V98 P119 T120 F122 I158 K159 | W57-V95 HydrophobicContact CH2-CG2 3.57Å; W57-V95 HydrophobicContact CZ2-CG2 4.33Å; W57-V95 HydrophobicContact CZ3-CG2 4.24Å; V95-V98 HydrophobicContact CG1-CG2 3.67Å; V95-P119 VanDerWaalsContact O-CA 3.29Å; V95-P119 WeakPolarHBondContact O-CA 3.49Å; V95-T120 PolarHBondContact N-O 3.37Å; V95-T120 PolarHBondContact O-N 3.21Å; V95-T120 VanDerWaalsContact O-N 3.08Å; V95-F122 HydrophobicContact CB-CD2 4.26Å; V95-F122 HydrophobicContact CB-CE2 4.07Å; V95-F122 HydrophobicContact CG2-CD2 3.78Å; V95-F122 HydrophobicContact CG2-CE2 3.94Å; V95-I158 HydrophobicContact CG1-CG2 3.78Å; V95-K159 WeakPolarHBondContact CG1-O 3.28Å |
| 96 | E | 93.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -71.8 | -42.6 | -175.6 | -68.2 | -62.4 | 145.4 | 0 | 0 | 111.5 | V17 P119 K159 K161 | V17-E96 HydrophobicContact CG2-CG 4.39Å; E96-P119 WeakPolarHBondContact O-CA 3.49Å; E96-P119 VanDerWaalsContact O-CD 3.3Å; E96-P119 WeakPolarHBondContact O-CD 3.45Å; E96-P119 VanDerWaalsContact O-CG 3.25Å; E96-P119 WeakPolarHBondContact O-CG 3.45Å; E96-K159 HydrophobicContact CB-CB 4.44Å; E96-K159 PolarHBondContact N-O 2.87Å; E96-K161 HydrophobicContact CG-CG 4Å; E96-K161 WeakPolarHBondContact OE1-CD 3.37Å; E96-K161 WeakPolarHBondContact OE1-CE 3.32Å; E96-K161 WeakPolarHBondContact OE1-CG 3.29Å; E96-K161 IonicContact OE1-NZ 3.67Å; E96-K161 PolarHBondContact OE1-NZ 2.99Å |
| 97 | E | 94.6 | Very high | 92.7 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 142.6 | 179.5 | -170.5 | 177.9 | -149.6 | 0 | 0 | 110.3 | R99 K159 | E97-R99 HydrophobicContact CG-CG 4.17Å; E97-R99 IonicContact OE1-CZ 3.89Å; E97-R99 IonicContact OE1-NE 2.92Å; E97-R99 PolarHBondContact OE1-NE 3.09Å; E97-R99 IonicContact OE1-NH2 3.68Å; E97-R99 PolarHBondContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-CZ 3.86Å; E97-R99 IonicContact OE2-NE 3.62Å; E97-R99 PolarHBondContact OE2-NE 3.19Å; E97-R99 IonicContact OE2-NH2 2.63Å; E97-R99 PolarHBondContact OE2-NH2 2.8Å; E97-K159 HydrophobicContact CB-CB 4.11Å; E97-K159 HydrophobicContact CB-CD 4.19Å; E97-K159 HydrophobicContact CB-CG 4.46Å; E97-K159 PolarHBondContact N-O 3.4Å; E97-K159 PolarHBondContact O-N 2.96Å; E97-K159 WeakPolarHBondContact OE2-CD 3.26Å; E97-K159 WeakPolarHBondContact OE2-CE 3.41Å; E97-K159 IonicContact OE2-NZ 3.87Å; E97-K159 PolarHBondContact OE2-NZ 3.08Å |
| 98 | V | 95.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.5 | 164.4 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | L83 V95 A116 L117 I130 V156 E157 I158 | L83-V98 HydrophobicContact CD2-CG1 4.15Å; L83-V98 HydrophobicContact CD2-CG2 3.74Å; V95-V98 HydrophobicContact CG1-CG2 3.67Å; V98-A116 CarbonylContact O-C 3.58Å; V98-A116 VanDerWaalsContact O-CA 3.25Å; V98-A116 WeakPolarHBondContact O-CA 3.43Å; V98-L117 HydrophobicContact CB-CB 3.83Å; V98-L117 HydrophobicContact CG2-CB 4.26Å; V98-L117 HydrophobicContact CG2-CD2 4.12Å; V98-L117 PolarHBondContact N-O 3.5Å; V98-L117 PolarHBondContact O-N 3.37Å; V98-I130 HydrophobicContact CG1-CD1 3.97Å; V98-V156 HydrophobicContact CG1-CG1 3.62Å; V98-E157 CarbonylContact C-O 3.53Å; V98-E157 VanDerWaalsContact CA-O 3.3Å; V98-E157 WeakPolarHBondContact CA-O 3.34Å; V98-I158 HydrophobicContact CG1-CG1 4.48Å; V98-I158 HydrophobicContact CG2-CG2 4.48Å |
| 99 | R | 95.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 46% | 0.464 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.3 | 170.8 | -64.8 | -177.1 | -178.8 | -170.7 | 3.3 | 109.9 | E97 L115 V156 E157 | E97-R99 HydrophobicContact CG-CG 4.17Å; E97-R99 IonicContact OE1-CZ 3.89Å; E97-R99 IonicContact OE1-NE 2.92Å; E97-R99 PolarHBondContact OE1-NE 3.09Å; E97-R99 IonicContact OE1-NH2 3.68Å; E97-R99 PolarHBondContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-CZ 3.86Å; E97-R99 IonicContact OE2-NE 3.62Å; E97-R99 PolarHBondContact OE2-NE 3.19Å; E97-R99 IonicContact OE2-NH2 2.63Å; E97-R99 PolarHBondContact OE2-NH2 2.8Å; R99-L115 WeakPolarHBondContact CA-O 3.42Å; R99-V156 CarbonylContact O-C 3.59Å; R99-V156 WeakPolarHBondContact O-CA 3.5Å; R99-E157 HydrophobicContact CB-CB 4.4Å; R99-E157 PolarHBondContact N-O 2.94Å; R99-E157 PolarHBondContact O-N 3.36Å |
| 100 | A | 96.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L81 L115 I130 V155 V156 | L81-A100 HydrophobicContact CD2-CB 3.8Å; A100-L115 HydrophobicContact CB-CB 3.8Å; A100-L115 HydrophobicContact CB-CD1 4.15Å; A100-L115 PolarHBondContact N-O 2.86Å; A100-L115 WeakPolarHBondContact O-CB 3.44Å; A100-I130 HydrophobicContact CB-CD1 4.05Å; A100-V155 WeakPolarHBondContact CA-O 3.49Å; A100-V156 HydrophobicContact CB-CG2 3.99Å |
| 101 | Q | 95.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.9 | 172.8 | 61.2 | -176.1 | 3.5 | 0 | 0 | 110.2 | L103 F112 V154 V155 | Q101-L103 HydrophobicContact CG-CD2 4.11Å; Q101-L103 HydrophobicContact CG-CG 4.33Å; Q101-F112 WeakPolarHBondContact CA-O 3.46Å; Q101-V154 WeakPolarHBondContact O-CA 3.36Å; Q101-V155 HydrophobicContact CG-CB 3.95Å; Q101-V155 PolarHBondContact N-O 2.97Å; Q101-V155 PolarHBondContact O-N 2.91Å |
| 102 | I | 95.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.4 | 175.9 | -45.8 | -61.6 | 0 | 0 | 0 | 107.6 | L111 F112 L115 F140 L152 L153 V154 | I102-L111 HydrophobicContact CG2-CB 4.4Å; I102-L111 PolarHBondContact O-N 3.28Å; I102-F112 HydrophobicContact CB-CB 4.01Å; I102-F112 HydrophobicContact CG1-CB 3.95Å; I102-F112 PolarHBondContact N-O 2.9Å; I102-F112 PolarHBondContact O-N 2.7Å; I102-F112 VanDerWaalsContact O-N 3.08Å; I102-L115 HydrophobicContact CD1-CD1 4.47Å; I102-L115 HydrophobicContact CG1-CD1 4.38Å; I102-F140 HydrophobicContact CD1-CE2 4.13Å; I102-F140 HydrophobicContact CG1-CE2 3.87Å; I102-L152 HydrophobicContact CG2-CB 4.37Å; I102-L152 HydrophobicContact CG2-CD1 4.21Å; I102-L152 HydrophobicContact CG2-CD2 4.08Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; I102-L153 CarbonylContact C-O 3.47Å; I102-L153 WeakPolarHBondContact CA-O 3.08Å; I102-V154 HydrophobicContact CD1-CB 4.31Å; I102-V154 HydrophobicContact CD1-CG1 4.15Å; I102-V154 HydrophobicContact CD1-CG2 3.72Å |
| 103 | L | 94.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 153.3 | 179.4 | -50.6 | -179 | 0 | 0 | 0 | 109.9 | Q101 N108 E109 T110 L153 V155 | Q101-L103 HydrophobicContact CG-CD2 4.11Å; Q101-L103 HydrophobicContact CG-CG 4.33Å; L103-N108 WeakPolarHBondContact CD1-OD1 3.19Å; L103-E109 CarbonylContact C-O 3.56Å; L103-E109 VanDerWaalsContact CA-O 3.28Å; L103-E109 WeakPolarHBondContact CA-O 3.28Å; L103-T110 HydrophobicContact CD2-CG2 4.23Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.43Å; L103-L153 HydrophobicContact CB-CB 4.23Å; L103-L153 HydrophobicContact CB-CD2 4.24Å; L103-L153 HydrophobicContact CB-CG 4.36Å; L103-L153 HydrophobicContact CD1-CD2 4.21Å; L103-L153 PolarHBondContact N-O 3.11Å; L103-L153 PolarHBondContact O-N 2.91Å; L103-L153 VanDerWaalsContact O-N 3.08Å; L103-V155 HydrophobicContact CD1-CG2 3.69Å; L103-V155 HydrophobicContact CG-CG2 4.29Å |
| 104 | D | 91.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | trans | -70.5 | 128.1 | 164.1 | -172 | -77.1 | 0 | 0 | 0 | 109.1 | V106 T107 N108 E109 L111 | D104-V106 PolarHBondContact O-N 3.08Å; D104-V106 WeakPolarHBondContact OD1-CA 3.48Å; D104-V106 WeakPolarHBondContact OD1-CB 3.23Å; D104-V106 PolarHBondContact OD1-N 3.32Å; D104-T107 WeakPolarHBondContact CB-OG1 3.23Å; D104-T107 PolarHBondContact OD1-N 3.17Å; D104-T107 VanDerWaalsContact OD1-N 3.1Å; D104-N108 WeakPolarHBondContact O-CA 3.38Å; D104-N108 PolarHBondContact O-N 2.82Å; D104-E109 PolarHBondContact N-O 2.82Å; D104-L111 HydrophobicContact CB-CD1 4.1Å; D104-L111 HydrophobicContact CB-CD2 4.28Å; D104-L111 HydrophobicContact CB-CG 4.19Å | ||
| 105 | P | 89.9 | Confident | 93.2 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.3 | -175 | 28.1 | -35.3 | 0 | 0 | 0 | 114 | N151 L153 | P105-N151 HydrophobicContact CG-CB 3.9Å; P105-L153 HydrophobicContact CB-CB 4.31Å |
| 106 | V | 89.4 | Confident | 93.2 | Very high | 130 Ų | 130 | 52 Ų | 52 | 79% | 0.788 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -50.1 | -178.6 | -177 | 0 | 0 | 0 | 0 | 111 | D104 | D104-V106 PolarHBondContact O-N 3.08Å; D104-V106 WeakPolarHBondContact OD1-CA 3.48Å; D104-V106 WeakPolarHBondContact OD1-CB 3.23Å; D104-V106 PolarHBondContact OD1-N 3.32Å |
| 107 | T | 90.5 | Very high | 93.1 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.5 | -176.8 | 65.8 | 0 | 0 | 0 | 0 | 113 | D104 E109 | D104-T107 WeakPolarHBondContact CB-OG1 3.23Å; D104-T107 PolarHBondContact OD1-N 3.17Å; D104-T107 VanDerWaalsContact OD1-N 3.1Å; T107-E109 PolarHBondContact O-N 3.46Å; T107-E109 WeakPolarHBondContact OG1-CB 3.31Å; T107-E109 WeakPolarHBondContact OG1-CG 3.31Å; T107-E109 PolarHBondContact OG1-N 3.36Å; T107-E109 PolarHBondContact OG1-OE2 3.37Å |
| 108 | N | 89.1 | Confident | 92.8 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | trans | 58.2 | 17.9 | -171.8 | -153 | 46.2 | 0 | 0 | 0 | 113.4 | L103 D104 | L103-N108 WeakPolarHBondContact CD1-OD1 3.19Å; D104-N108 WeakPolarHBondContact O-CA 3.38Å; D104-N108 PolarHBondContact O-N 2.82Å | ||
| 109 | E | 93.2 | Very high | 92.2 | Very high | 130 Ų | 130 | 56.3 Ų | 56.3 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | trans | -76.4 | 142.4 | 175.6 | -70.1 | 177.3 | 156.1 | 0 | 0 | 110.6 | L103 D104 T107 L111 | L103-E109 CarbonylContact C-O 3.56Å; L103-E109 VanDerWaalsContact CA-O 3.28Å; L103-E109 WeakPolarHBondContact CA-O 3.28Å; D104-E109 PolarHBondContact N-O 2.82Å; T107-E109 PolarHBondContact O-N 3.46Å; T107-E109 WeakPolarHBondContact OG1-CB 3.31Å; T107-E109 WeakPolarHBondContact OG1-CG 3.31Å; T107-E109 PolarHBondContact OG1-N 3.36Å; T107-E109 PolarHBondContact OG1-OE2 3.37Å; E109-L111 PolarHBondContact O-N 3.39Å | ||
| 110 | T | 94.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 52 Ų | 52 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 112.5 | 179.1 | -54.7 | 0 | 0 | 0 | 0 | 111 | L103 A113 | L103-T110 HydrophobicContact CD2-CG2 4.23Å; L103-T110 WeakPolarHBondContact CD2-OG1 3.43Å; T110-A113 HydrophobicContact CG2-CB 3.91Å |
| 111 | L | 93.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -34.3 | 174 | -60.8 | 178 | 0 | 0 | 0 | 111.7 | I102 D104 E109 L143 L152 | I102-L111 HydrophobicContact CG2-CB 4.4Å; I102-L111 PolarHBondContact O-N 3.28Å; 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 3.39Å; L111-L143 HydrophobicContact CB-CD2 4.22Å; L111-L152 HydrophobicContact CD1-CD2 3.81Å |
| 112 | F | 94.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 144.7 | 176.4 | -167 | -91.5 | 0 | 0 | 0 | 110.9 | Q101 I102 L115 M132 R136 E139 F140 L143 | Q101-F112 WeakPolarHBondContact CA-O 3.46Å; I102-F112 HydrophobicContact CB-CB 4.01Å; I102-F112 HydrophobicContact CG1-CB 3.95Å; I102-F112 PolarHBondContact N-O 2.9Å; I102-F112 PolarHBondContact O-N 2.7Å; I102-F112 VanDerWaalsContact O-N 3.08Å; F112-L115 HydrophobicContact CD1-CD1 3.71Å; F112-L115 HydrophobicContact CD1-CG 4.25Å; F112-L115 HydrophobicContact CE1-CD1 3.96Å; F112-L115 HydrophobicContact CE1-CG 3.98Å; F112-M132 HydrophobicContact CE1-SD 4.23Å; F112-M132 HydrophobicContact CZ-SD 3.95Å; F112-R136 HydrophobicContact CE2-CB 4.47Å; F112-R136 VanDerWaalsContact CE2-NH2 3.29Å; F112-R136 HydrophobicContact CZ-CB 4.18Å; F112-E139 HydrophobicContact CE2-CB 4.43Å; F112-E139 HydrophobicContact CE2-CG 4.2Å; F112-F140 HydrophobicContact CB-CD2 4.49Å; F112-F140 AromaticContact CD1-CD2 3.63Å; F112-F140 HydrophobicContact CD1-CD2 3.63Å; F112-F140 HydrophobicContact CD1-CE2 4.2Å; F112-F140 HydrophobicContact CD1-CG 4.47Å; F112-F140 HydrophobicContact CD2-CB 4.3Å; F112-F140 HydrophobicContact CD2-CD2 4.17Å; F112-F140 HydrophobicContact CE1-CB 4.15Å; F112-F140 AromaticContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CG 4.2Å; F112-F140 HydrophobicContact CE2-CB 3.73Å; F112-F140 HydrophobicContact CE2-CD2 4.3Å; F112-F140 HydrophobicContact CE2-CG 4.48Å; F112-F140 AromaticContact CG-CD2 3.84Å; F112-F140 HydrophobicContact CG-CD2 3.84Å; F112-F140 HydrophobicContact CZ-CB 3.66Å; F112-F140 HydrophobicContact CZ-CD2 4.12Å; F112-F140 HydrophobicContact CZ-CG 4.21Å; F112-L143 HydrophobicContact CB-CD2 3.61Å; F112-L143 HydrophobicContact CD2-CD2 4.38Å; F112-L143 HydrophobicContact CG-CD2 4.32Å |
| 113 | A | 92.4 | Very high | 91.6 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 176.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | T110 R136 | T110-A113 HydrophobicContact CG2-CB 3.91Å; A113-R136 PolarHBondContact O-NH1 2.84Å |
| 114 | G | 89.1 | Confident | 91.5 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.8 | 17.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 115 | L | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 119.5 | 163.3 | -67.5 | 129.8 | 0 | 0 | 0 | 107.9 | L81 R99 A100 I102 F112 I130 H131 M132 F140 | L81-L115 HydrophobicContact CB-CD2 4.31Å; L81-L115 HydrophobicContact CD2-CD2 4.49Å; R99-L115 WeakPolarHBondContact CA-O 3.42Å; A100-L115 HydrophobicContact CB-CB 3.8Å; A100-L115 HydrophobicContact CB-CD1 4.15Å; A100-L115 PolarHBondContact N-O 2.86Å; A100-L115 WeakPolarHBondContact O-CB 3.44Å; I102-L115 HydrophobicContact CD1-CD1 4.47Å; I102-L115 HydrophobicContact CG1-CD1 4.38Å; F112-L115 HydrophobicContact CD1-CD1 3.71Å; F112-L115 HydrophobicContact CD1-CG 4.25Å; F112-L115 HydrophobicContact CE1-CD1 3.96Å; F112-L115 HydrophobicContact CE1-CG 3.98Å; L115-I130 HydrophobicContact CB-CG2 3.74Å; L115-I130 HydrophobicContact CD2-CB 4.48Å; L115-I130 HydrophobicContact CD2-CG2 4.46Å; L115-H131 CarbonylContact C-O 3.49Å; L115-H131 WeakPolarHBondContact CA-O 3.45Å; L115-M132 HydrophobicContact CD2-CE 3.49Å; L115-M132 VanDerWaalsContact CD2-CE 3.49Å; L115-M132 HydrophobicContact CG-CE 4.36Å; L115-F140 HydrophobicContact CD1-CE2 4.33Å; L115-F140 HydrophobicContact CD2-CZ 4.43Å |
| 116 | A | 94 | Very high | 91.7 | Very high | 41 Ų | 41 | 62 Ų | 62 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V98 H131 | V98-A116 CarbonylContact O-C 3.58Å; V98-A116 VanDerWaalsContact O-CA 3.25Å; V98-A116 WeakPolarHBondContact O-CA 3.43Å; A116-H131 PolarHBondContact N-O 2.9Å; A116-H131 WeakPolarHBondContact O-CA 3.26Å; A116-H131 WeakPolarHBondContact O-CB 3.31Å; A116-H131 PolarHBondContact O-N 3.46Å; A116-H131 VanDerWaalsContact O-O 3.14Å |
| 117 | L | 91.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.3 | 169.7 | -163.7 | 116.5 | 0 | 0 | 0 | 107 | V98 T120 F122 W128 P129 | V98-L117 HydrophobicContact CB-CB 3.83Å; V98-L117 HydrophobicContact CG2-CB 4.26Å; V98-L117 HydrophobicContact CG2-CD2 4.12Å; V98-L117 PolarHBondContact N-O 3.5Å; V98-L117 PolarHBondContact O-N 3.37Å; L117-T120 VanDerWaalsContact CD2-CB 3.42Å; L117-T120 HydrophobicContact CD2-CG2 4.09Å; L117-T120 VanDerWaalsContact CD2-OG1 3.25Å; L117-T120 WeakPolarHBondContact CD2-OG1 3.15Å; L117-F122 HydrophobicContact CD2-CE2 3.73Å; L117-F122 HydrophobicContact CD2-CZ 3.78Å; L117-W128 HydrophobicContact CD1-CB 3.91Å; L117-P129 WeakPolarHBondContact CD1-O 3.26Å |
| 118 | S | 86.6 | Confident | 91.9 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | trans | -65.4 | 170.3 | 171.9 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | T120 | S118-T120 PolarHBondContact O-N 3.49Å; S118-T120 PolarHBondContact O-OG1 3.45Å | ||
| 119 | P | 84.5 | Confident | 92.1 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -46.1 | 120.2 | 179 | -29 | 31.9 | 0 | 0 | 0 | 111.9 | V95 E96 | V95-P119 VanDerWaalsContact O-CA 3.29Å; V95-P119 WeakPolarHBondContact O-CA 3.49Å; E96-P119 WeakPolarHBondContact O-CA 3.49Å; E96-P119 VanDerWaalsContact O-CD 3.3Å; E96-P119 WeakPolarHBondContact O-CD 3.45Å; E96-P119 VanDerWaalsContact O-CG 3.25Å; E96-P119 WeakPolarHBondContact O-CG 3.45Å |
| 120 | T | 88.7 | Confident | 92.1 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 143.5 | -172.3 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | V95 L117 S118 F122 W128 | V95-T120 PolarHBondContact N-O 3.37Å; V95-T120 PolarHBondContact O-N 3.21Å; V95-T120 VanDerWaalsContact O-N 3.08Å; L117-T120 VanDerWaalsContact CD2-CB 3.42Å; L117-T120 HydrophobicContact CD2-CG2 4.09Å; L117-T120 VanDerWaalsContact CD2-OG1 3.25Å; L117-T120 WeakPolarHBondContact CD2-OG1 3.15Å; S118-T120 PolarHBondContact O-N 3.49Å; S118-T120 PolarHBondContact O-OG1 3.45Å; T120-F122 HydrophobicContact CG2-CD2 4.43Å; T120-F122 HydrophobicContact CG2-CE2 4.13Å; T120-W128 HydrophobicContact CG2-CD2 3.92Å; T120-W128 HydrophobicContact CG2-CE3 4.48Å; T120-W128 HydrophobicContact CG2-CG 4.01Å; T120-W128 HydrophobicContact CG2-CZ2 4.41Å |
| 121 | E | 92.6 | Very high | 91.9 | Very high | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.9 | 174.9 | -161.7 | -179 | 117.7 | 0 | 0 | 110.8 | E92 V93 W128 | E92-E121 HydrophobicContact CB-CG 4.36Å; V93-E121 WeakPolarHBondContact O-CA 3.5Å; E121-W128 PolarHBondContact O-NE1 3.26Å |
| 122 | F | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.4 | 177.3 | -72.7 | -110.4 | 0 | 0 | 0 | 109.4 | W57 L83 Y85 E92 V93 V95 L117 T120 W128 | W57-F122 HydrophobicContact CZ3-CD1 4Å; W57-F122 HydrophobicContact CZ3-CE1 4.37Å; W57-F122 HydrophobicContact CZ3-CG 4.11Å; L83-F122 HydrophobicContact CB-CE1 4.19Å; L83-F122 HydrophobicContact CB-CZ 4.44Å; L83-F122 HydrophobicContact CD2-CE1 4.15Å; L83-F122 HydrophobicContact CD2-CZ 4Å; L83-F122 HydrophobicContact CG-CE1 4.15Å; L83-F122 HydrophobicContact CG-CZ 4.45Å; L83-F122 WeakPolarHBondContact O-CE1 3.42Å; Y85-F122 HydrophobicContact CD1-CB 4.13Å; Y85-F122 HydrophobicContact CG-CB 4.22Å; E92-F122 CarbonylContact C-O 3.58Å; E92-F122 VanDerWaalsContact CA-O 3.32Å; E92-F122 WeakPolarHBondContact CA-O 3.27Å; V93-F122 HydrophobicContact CG1-CB 3.91Å; V93-F122 PolarHBondContact N-O 3.04Å; V93-F122 PolarHBondContact O-N 2.7Å; V95-F122 HydrophobicContact CB-CD2 4.26Å; V95-F122 HydrophobicContact CB-CE2 4.07Å; V95-F122 HydrophobicContact CG2-CD2 3.78Å; V95-F122 HydrophobicContact CG2-CE2 3.94Å; L117-F122 HydrophobicContact CD2-CE2 3.73Å; L117-F122 HydrophobicContact CD2-CZ 3.78Å; T120-F122 HydrophobicContact CG2-CD2 4.43Å; T120-F122 HydrophobicContact CG2-CE2 4.13Å; F122-W128 AromaticContact CD1-CD1 3.48Å; F122-W128 VanDerWaalsContact CD1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CB 4Å; F122-W128 AromaticContact CE1-CD1 3.48Å; F122-W128 VanDerWaalsContact CE1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CG 4.13Å; F122-W128 AromaticContact CG-CD1 3.8Å; F122-W128 HydrophobicContact CZ-CB 4.02Å; F122-W128 AromaticContact CZ-CD1 3.79Å; F122-W128 HydrophobicContact CZ-CG 4.24Å |
| 123 | S | 94.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 55 Ų | 55 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144 | 166 | -44.2 | 0 | 0 | 0 | 0 | 110.1 | P91 G125 S126 | P91-S123 CarbonylContact O-C 3.56Å; P91-S123 WeakPolarHBondContact O-CA 3.05Å; S123-G125 PolarHBondContact O-N 3.5Å; S123-S126 PolarHBondContact N-OG 3.14Å; S123-S126 WeakPolarHBondContact O-CB 3.35Å; S123-S126 PolarHBondContact O-N 3.11Å; S123-S126 PolarHBondContact O-OG 3.09Å |
| 124 | R | 94.1 | Very high | 90.9 | Very high | 124 Ų | 124 | 60.1 Ų | 60.1 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 128.7 | -179.8 | -169.3 | -173.9 | -61.9 | 172.4 | 1 | 110.4 | Y85 K86 G88 C90 P91 S126 | Y85-R124 HydrophobicContact CD1-CB 4.13Å; Y85-R124 HydrophobicContact CE1-CB 3.92Å; Y85-R124 HydrophobicContact CE1-CG 4.4Å; K86-R124 VanDerWaalsContact O-CG 3.22Å; K86-R124 WeakPolarHBondContact O-CG 3.36Å; G88-R124 PolarHBondContact O-NH2 3.17Å; C90-R124 VanDerWaalsContact C-NH2 3.28Å; C90-R124 PolarHBondContact O-NH2 3.47Å; P91-R124 PolarHBondContact O-N 2.97Å; R124-S126 VanDerWaalsContact C-N 3.31Å |
| 125 | G | 92.3 | Very high | 90.7 | Very high | 60 Ų | 60 | 65 Ų | 65 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y85 S123 | Y85-G125 WeakPolarHBondContact O-CA 3.47Å; Y85-G125 PolarHBondContact O-N 2.89Å; S123-G125 PolarHBondContact O-N 3.5Å |
| 126 | S | 91.4 | Very high | 90.5 | Very high | 36 Ų | 36 | 68 Ų | 68 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | trans | -93.1 | 161.9 | 176.9 | 85.6 | 0 | 0 | 0 | 0 | 112.1 | Y84 Y85 S123 R124 | Y84-S126 VanDerWaalsContact CA-O 3.32Å; Y84-S126 WeakPolarHBondContact CA-O 3.38Å; Y84-S126 WeakPolarHBondContact CD1-O 3.21Å; Y85-S126 PolarHBondContact N-O 3.42Å; S123-S126 PolarHBondContact N-OG 3.14Å; S123-S126 WeakPolarHBondContact O-CB 3.35Å; S123-S126 PolarHBondContact O-N 3.11Å; S123-S126 PolarHBondContact O-OG 3.09Å; R124-S126 VanDerWaalsContact C-N 3.31Å | ||
| 127 | G | 91.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 Y84 | L83-G127 CarbonylContact O-C 3.55Å; L83-G127 WeakPolarHBondContact O-CA 3.47Å; Y84-G127 VanDerWaalsContact CD1-CA 3.41Å |
| 128 | W | 93.1 | Very high | 89.9 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 41% | 0.413 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.8 | -175.5 | -69.4 | 97.9 | 0 | 0 | 0 | 110.4 | H82 L83 L117 T120 E121 F122 I130 | H82-W128 VanDerWaalsContact CA-O 3.28Å; H82-W128 WeakPolarHBondContact CA-O 3.21Å; L83-W128 PolarHBondContact N-O 3.41Å; L83-W128 PolarHBondContact O-N 3.21Å; L117-W128 HydrophobicContact CD1-CB 3.91Å; T120-W128 HydrophobicContact CG2-CD2 3.92Å; T120-W128 HydrophobicContact CG2-CE3 4.48Å; T120-W128 HydrophobicContact CG2-CG 4.01Å; T120-W128 HydrophobicContact CG2-CZ2 4.41Å; E121-W128 PolarHBondContact O-NE1 3.26Å; F122-W128 AromaticContact CD1-CD1 3.48Å; F122-W128 VanDerWaalsContact CD1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CB 4Å; F122-W128 AromaticContact CE1-CD1 3.48Å; F122-W128 VanDerWaalsContact CE1-CD1 3.48Å; F122-W128 HydrophobicContact CE1-CG 4.13Å; F122-W128 AromaticContact CG-CD1 3.8Å; F122-W128 HydrophobicContact CZ-CB 4.02Å; F122-W128 AromaticContact CZ-CD1 3.79Å; F122-W128 HydrophobicContact CZ-CG 4.24Å; W128-I130 PolarHBondContact O-N 3.29Å |
| 129 | P | 92.9 | Very high | 90.1 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.9 | 175 | 27.5 | -32.1 | 0 | 0 | 0 | 110 | L80 L117 H131 | L80-P129 HydrophobicContact CD1-CB 4.42Å; L117-P129 WeakPolarHBondContact CD1-O 3.26Å; P129-H131 PolarHBondContact O-N 3.26Å |
| 130 | I | 93.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 117.5 | 171.7 | -51.1 | 179.7 | 0 | 0 | 0 | 107.4 | L81 V98 A100 L115 W128 | L81-I130 HydrophobicContact CD2-CD1 3.93Å; L81-I130 HydrophobicContact CG-CD1 4.01Å; L81-I130 PolarHBondContact O-N 2.87Å; V98-I130 HydrophobicContact CG1-CD1 3.97Å; A100-I130 HydrophobicContact CB-CD1 4.05Å; L115-I130 HydrophobicContact CB-CG2 3.74Å; L115-I130 HydrophobicContact CD2-CB 4.48Å; L115-I130 HydrophobicContact CD2-CG2 4.46Å; W128-I130 PolarHBondContact O-N 3.29Å |
| 131 | H | 89.9 | Confident | 90.6 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 157.4 | -170.5 | -61.9 | -61.1 | 0 | 0 | 0 | 112.1 | L115 A116 P129 | L115-H131 CarbonylContact C-O 3.49Å; L115-H131 WeakPolarHBondContact CA-O 3.45Å; A116-H131 PolarHBondContact N-O 2.9Å; A116-H131 WeakPolarHBondContact O-CA 3.26Å; A116-H131 WeakPolarHBondContact O-CB 3.31Å; A116-H131 PolarHBondContact O-N 3.46Å; A116-H131 VanDerWaalsContact O-O 3.14Å; P129-H131 PolarHBondContact O-N 3.26Å |
| 132 | M | 89.6 | Confident | 90.6 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | trans | -143.8 | 162 | 170.2 | 68 | -168.1 | 78.8 | 0 | 0 | 108.9 | F112 L115 R137 F140 | F112-M132 HydrophobicContact CE1-SD 4.23Å; F112-M132 HydrophobicContact CZ-SD 3.95Å; L115-M132 HydrophobicContact CD2-CE 3.49Å; L115-M132 VanDerWaalsContact CD2-CE 3.49Å; L115-M132 HydrophobicContact CG-CE 4.36Å; M132-R137 HydrophobicContact CG-CG 3.65Å; M132-R137 HydrophobicContact SD-CB 4.45Å; M132-R137 HydrophobicContact SD-CG 3.99Å; M132-F140 HydrophobicContact CE-CB 4.19Å; M132-F140 HydrophobicContact CE-CD1 3.44Å; M132-F140 VanDerWaalsContact CE-CD1 3.44Å; M132-F140 HydrophobicContact CE-CE1 3.87Å; M132-F140 HydrophobicContact CE-CG 3.82Å; M132-F140 HydrophobicContact SD-CB 3.62Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.94Å | ||
| 133 | E | 87.4 | Confident | 90.5 | Very high | 132 Ų | 132 | 69 Ų | 69 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | trans | -55.3 | 143.6 | 174.5 | -66 | 178.4 | 171.1 | 0 | 0 | 111.3 | E135 R136 R137 | E133-E135 PolarHBondContact O-N 2.67Å; E133-R136 HydrophobicContact CB-CG 4.27Å; E133-R136 PolarHBondContact O-N 2.92Å; E133-R137 PolarHBondContact O-N 3.31Å | ||
| 134 | K | 84.1 | Confident | 90.4 | Very high | 145 Ų | 145 | 66.5 Ų | 66.5 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -61 | -36.5 | -172.4 | 179.9 | 172.8 | -179.9 | -172.7 | 0 | 111.9 | R136 R137 | K134-R136 PolarHBondContact O-N 3.47Å; K134-R137 PolarHBondContact O-N 2.88Å |
| 135 | E | 85.2 | Confident | 90.3 | Very high | 151 Ų | 151 | 63.9 Ų | 63.9 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -65.9 | -27.4 | -179.2 | -61 | 67.8 | -146 | 0 | 0 | 111.5 | E133 | E133-E135 PolarHBondContact O-N 2.67Š|
| 136 | R | 88.4 | Confident | 90.2 | Very high | 65 Ų | 65 | 68 Ų | 68 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -96.4 | -6.2 | -176 | -57.9 | -163.6 | 66.3 | -149.4 | -5.4 | 114.2 | F112 A113 E133 K134 A138 E139 F140 | F112-R136 HydrophobicContact CE2-CB 4.47Å; F112-R136 VanDerWaalsContact CE2-NH2 3.29Å; F112-R136 HydrophobicContact CZ-CB 4.18Å; A113-R136 PolarHBondContact O-NH1 2.84Å; E133-R136 HydrophobicContact CB-CG 4.27Å; E133-R136 PolarHBondContact O-N 2.92Å; K134-R136 PolarHBondContact O-N 3.47Å; R136-A138 PolarHBondContact O-N 3.48Å; R136-E139 IonicContact CZ-OE2 3.26Å; R136-E139 IonicContact NE-OE2 3.72Å; R136-E139 PolarHBondContact NE-OE2 2.98Å; R136-E139 IonicContact NH2-OE1 2.72Å; R136-E139 PolarHBondContact NH2-OE1 3.14Å; R136-E139 IonicContact NH2-OE2 2.63Å; R136-E139 PolarHBondContact NH2-OE2 3.31Å; R136-E139 WeakPolarHBondContact O-CB 3.49Å; R136-E139 PolarHBondContact O-N 3.44Å; R136-F140 PolarHBondContact O-N 3.11Å |
| 137 | R | 86.9 | Confident | 90.2 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.7 | -73.4 | -170.9 | -119.8 | 157.4 | -5.5 | 113 | M132 E133 K134 T141 | M132-R137 HydrophobicContact CG-CG 3.65Å; M132-R137 HydrophobicContact SD-CB 4.45Å; M132-R137 HydrophobicContact SD-CG 3.99Å; E133-R137 PolarHBondContact O-N 3.31Å; K134-R137 PolarHBondContact O-N 2.88Å; R137-T141 WeakPolarHBondContact O-CB 3.46Å; R137-T141 PolarHBondContact O-N 3.04Å; R137-T141 PolarHBondContact O-OG1 3.1Å |
| 138 | A | 87.6 | Confident | 90.1 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | R136 F140 T141 E142 | R136-A138 PolarHBondContact O-N 3.48Å; A138-F140 PolarHBondContact O-N 2.82Å; A138-T141 PolarHBondContact O-N 3.46Å; A138-E142 WeakPolarHBondContact O-CB 3.31Å; A138-E142 PolarHBondContact O-N 3.24Å |
| 139 | E | 91.3 | Very high | 90 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 175.3 | -176.6 | -161.4 | 163.7 | 0 | 0 | 111.4 | F112 R136 E142 L143 | F112-E139 HydrophobicContact CE2-CB 4.43Å; F112-E139 HydrophobicContact CE2-CG 4.2Å; R136-E139 IonicContact CZ-OE2 3.26Å; R136-E139 IonicContact NE-OE2 3.72Å; R136-E139 PolarHBondContact NE-OE2 2.98Å; R136-E139 IonicContact NH2-OE1 2.72Å; R136-E139 PolarHBondContact NH2-OE1 3.14Å; R136-E139 IonicContact NH2-OE2 2.63Å; R136-E139 PolarHBondContact NH2-OE2 3.31Å; R136-E139 WeakPolarHBondContact O-CB 3.49Å; R136-E139 PolarHBondContact O-N 3.44Å; E139-E142 PolarHBondContact O-N 3.45Å; E139-L143 WeakPolarHBondContact O-CB 3.23Å; E139-L143 PolarHBondContact O-N 3.45Å |
| 140 | F | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178.3 | -178.5 | -114.7 | 0 | 0 | 0 | 112.7 | L61 V79 I102 F112 L115 M132 R136 A138 L143 V144 | L61-F140 HydrophobicContact CD1-CE1 4.31Å; 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 4.32Å; V79-F140 HydrophobicContact CG1-CE1 3.71Å; V79-F140 HydrophobicContact CG1-CZ 4.36Å; V79-F140 WeakPolarHBondContact O-CD1 3.41Å; V79-F140 WeakPolarHBondContact O-CE1 3.23Å; I102-F140 HydrophobicContact CD1-CE2 4.13Å; I102-F140 HydrophobicContact CG1-CE2 3.87Å; F112-F140 HydrophobicContact CB-CD2 4.49Å; F112-F140 AromaticContact CD1-CD2 3.63Å; F112-F140 HydrophobicContact CD1-CD2 3.63Å; F112-F140 HydrophobicContact CD1-CE2 4.2Å; F112-F140 HydrophobicContact CD1-CG 4.47Å; F112-F140 HydrophobicContact CD2-CB 4.3Å; F112-F140 HydrophobicContact CD2-CD2 4.17Å; F112-F140 HydrophobicContact CE1-CB 4.15Å; F112-F140 AromaticContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CD2 3.78Å; F112-F140 HydrophobicContact CE1-CG 4.2Å; F112-F140 HydrophobicContact CE2-CB 3.73Å; F112-F140 HydrophobicContact CE2-CD2 4.3Å; F112-F140 HydrophobicContact CE2-CG 4.48Å; F112-F140 AromaticContact CG-CD2 3.84Å; F112-F140 HydrophobicContact CG-CD2 3.84Å; F112-F140 HydrophobicContact CZ-CB 3.66Å; F112-F140 HydrophobicContact CZ-CD2 4.12Å; F112-F140 HydrophobicContact CZ-CG 4.21Å; L115-F140 HydrophobicContact CD1-CE2 4.33Å; L115-F140 HydrophobicContact CD2-CZ 4.43Å; M132-F140 HydrophobicContact CE-CB 4.19Å; M132-F140 HydrophobicContact CE-CD1 3.44Å; M132-F140 VanDerWaalsContact CE-CD1 3.44Å; M132-F140 HydrophobicContact CE-CE1 3.87Å; M132-F140 HydrophobicContact CE-CG 3.82Å; M132-F140 HydrophobicContact SD-CB 3.62Å; M132-F140 HydrophobicContact SD-CD1 4.02Å; M132-F140 HydrophobicContact SD-CG 3.94Å; R136-F140 PolarHBondContact O-N 3.11Å; A138-F140 PolarHBondContact O-N 2.82Å; F140-L143 PolarHBondContact O-N 3.28Å; F140-V144 HydrophobicContact CD2-CG2 4.31Å; F140-V144 HydrophobicContact CE1-CG2 4.36Å; F140-V144 HydrophobicContact CE2-CG2 3.93Å; F140-V144 HydrophobicContact CZ-CG2 3.96Å; F140-V144 WeakPolarHBondContact O-CG2 3.47Å; F140-V144 PolarHBondContact O-N 3.43Å |
| 141 | T | 91.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | V79 R137 A138 V144 H145 | V79-T141 HydrophobicContact CG2-CG2 4.07Å; V79-T141 PolarHBondContact N-OG1 3.21Å; V79-T141 VanDerWaalsContact N-OG1 3.13Å; R137-T141 WeakPolarHBondContact O-CB 3.46Å; R137-T141 PolarHBondContact O-N 3.04Å; R137-T141 PolarHBondContact O-OG1 3.1Å; A138-T141 PolarHBondContact O-N 3.46Å; T141-V144 PolarHBondContact O-N 2.91Å; T141-H145 PolarHBondContact O-CD2 3.04Å; T141-H145 PolarHBondContact O-N 3.36Å |
| 142 | E | 91.3 | Very high | 90 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.9 | -169.6 | -175.5 | 172.8 | 0 | 0 | 111.9 | A138 E139 V144 H145 K146 | A138-E142 WeakPolarHBondContact O-CB 3.31Å; A138-E142 PolarHBondContact O-N 3.24Å; E139-E142 PolarHBondContact O-N 3.45Å; E142-V144 PolarHBondContact O-N 3.43Å; E142-H145 PolarHBondContact O-N 3.01Å; E142-K146 HydrophobicContact CG-CD 4.23Å; E142-K146 WeakPolarHBondContact O-CB 3.22Å; E142-K146 VanDerWaalsContact O-CG 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.42Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 3.26Å; E142-K146 PolarHBondContact OE1-NZ 3.03Å |
| 143 | L | 92.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 176.5 | 176.7 | 73.6 | 0 | 0 | 0 | 111.6 | L111 F112 E139 F140 K146 K147 | L111-L143 HydrophobicContact CB-CD2 4.22Å; F112-L143 HydrophobicContact CB-CD2 3.61Å; F112-L143 HydrophobicContact CD2-CD2 4.38Å; F112-L143 HydrophobicContact CG-CD2 4.32Å; E139-L143 WeakPolarHBondContact O-CB 3.23Å; E139-L143 PolarHBondContact O-N 3.45Å; F140-L143 PolarHBondContact O-N 3.28Å; L143-K146 PolarHBondContact O-N 3.1Å; L143-K147 VanDerWaalsContact O-CG 3.32Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.42Å |
| 144 | V | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | -177.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V28 L39 L61 V79 F140 T141 E142 K146 K147 V148 | V28-V144 HydrophobicContact CG1-CG1 4.07Å; L39-V144 HydrophobicContact CD1-CG1 3.46Å; L39-V144 VanDerWaalsContact CD1-CG1 3.46Å; L39-V144 HydrophobicContact CD2-CG1 4.43Å; L61-V144 HydrophobicContact CD2-CG1 3.9Å; V79-V144 HydrophobicContact CG1-CB 4.19Å; V79-V144 HydrophobicContact CG1-CG1 4.05Å; V79-V144 HydrophobicContact CG1-CG2 4.13Å; V79-V144 HydrophobicContact CG2-CB 4.2Å; V79-V144 HydrophobicContact CG2-CG1 4.23Å; F140-V144 HydrophobicContact CD2-CG2 4.31Å; F140-V144 HydrophobicContact CE1-CG2 4.36Å; F140-V144 HydrophobicContact CE2-CG2 3.93Å; F140-V144 HydrophobicContact CZ-CG2 3.96Å; F140-V144 WeakPolarHBondContact O-CG2 3.47Å; F140-V144 PolarHBondContact O-N 3.43Å; T141-V144 PolarHBondContact O-N 2.91Å; E142-V144 PolarHBondContact O-N 3.43Å; V144-K146 PolarHBondContact O-N 2.92Å; V144-K147 CarbonylContact O-C 3.58Å; V144-K147 WeakPolarHBondContact O-CA 3.35Å; V144-K147 PolarHBondContact O-N 3Å; V144-V148 PolarHBondContact O-N 3.48Å |
| 145 | H | 91.3 | Very high | 91.1 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.2 | -79.2 | -57.5 | 0 | 0 | 0 | 112.9 | D63 T141 E142 K147 V148 | D63-H145 IonicContact OD1-CE1 2.8Å; D63-H145 IonicContact OD1-NE2 2.68Å; D63-H145 IonicContact OD2-CE1 3.33Å; T141-H145 PolarHBondContact O-CD2 3.04Å; T141-H145 PolarHBondContact O-N 3.36Å; E142-H145 PolarHBondContact O-N 3.01Å; H145-K147 PolarHBondContact O-N 2.88Å; H145-V148 VanDerWaalsContact O-CG2 3.26Å; H145-V148 WeakPolarHBondContact O-CG2 3.38Å; H145-V148 PolarHBondContact O-N 3.4Å |
| 146 | K | 91.3 | Very high | 91.6 | Very high | 146 Ų | 146 | 49.1 Ų | 49.1 | 64% | 0.635 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.1 | -21.4 | 173.1 | -77.9 | 176.3 | -179.4 | 168 | 0 | 113.3 | E142 L143 V144 | E142-K146 HydrophobicContact CG-CD 4.23Å; E142-K146 WeakPolarHBondContact O-CB 3.22Å; E142-K146 VanDerWaalsContact O-CG 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.42Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 3.26Å; E142-K146 PolarHBondContact OE1-NZ 3.03Å; L143-K146 PolarHBondContact O-N 3.1Å; V144-K146 PolarHBondContact O-N 2.92Å |
| 147 | K | 89.9 | Confident | 92 | Very high | 55 Ų | 55 | 48 Ų | 48 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.9 | -178 | -68.2 | -78.8 | -173.5 | 171.5 | 0 | 112.8 | V28 L143 V144 H145 S150 L152 | V28-K147 WeakPolarHBondContact CB-O 3.46Å; L143-K147 VanDerWaalsContact O-CG 3.32Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.42Å; V144-K147 CarbonylContact O-C 3.58Å; V144-K147 WeakPolarHBondContact O-CA 3.35Å; V144-K147 PolarHBondContact O-N 3Å; H145-K147 PolarHBondContact O-N 2.88Å; K147-S150 WeakPolarHBondContact O-CA 3.43Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.4Å; K147-S150 PolarHBondContact O-N 2.92Å; K147-L152 HydrophobicContact CB-CD1 4.07Å; K147-L152 HydrophobicContact CB-CD2 4.06Å; K147-L152 HydrophobicContact CB-CG 4.15Å; K147-L152 HydrophobicContact CD-CD2 4.03Å; K147-L152 HydrophobicContact CG-CD2 3.92Å |
| 148 | V | 90.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 140.7 | 168.4 | 174 | 0 | 0 | 0 | 0 | 109.6 | V28 Q30 V144 H145 S150 | V28-V148 HydrophobicContact CG1-CG2 4.12Å; Q30-V148 HydrophobicContact CG-CG1 4.06Å; Q30-V148 HydrophobicContact CG-CG2 4.01Å; V144-V148 PolarHBondContact O-N 3.48Å; H145-V148 VanDerWaalsContact O-CG2 3.26Å; H145-V148 WeakPolarHBondContact O-CG2 3.38Å; H145-V148 PolarHBondContact O-N 3.4Å; V148-S150 PolarHBondContact O-N 2.93Å |
| 149 | D | 89.7 | Confident | 92.7 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 58% | 0.583 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 2.7 | -172 | -64.3 | -52 | 0 | 0 | 0 | 115.9 | K27 V28 | K27-D149 WeakPolarHBondContact CE-O 3.39Å; V28-D149 PolarHBondContact O-N 3.17Å |
| 150 | S | 90.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -103.9 | 163.1 | 174.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | K27 V28 K147 V148 | K27-S150 WeakPolarHBondContact CA-O 3.44Å; V28-S150 PolarHBondContact N-O 3.34Å; K147-S150 WeakPolarHBondContact O-CA 3.43Å; K147-S150 VanDerWaalsContact O-CB 3.24Å; K147-S150 WeakPolarHBondContact O-CB 3.4Å; K147-S150 PolarHBondContact O-N 2.92Å; V148-S150 PolarHBondContact O-N 2.93Å |
| 151 | N | 91.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 42.8 Ų | 42.8 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.5 | 174.5 | -66.1 | -39.3 | 0 | 0 | 0 | 111.1 | L26 K27 P105 | L26-N151 CarbonylContact O-C 3.52Å; L26-N151 VanDerWaalsContact O-CA 3.28Å; L26-N151 WeakPolarHBondContact O-CA 3.14Å; K27-N151 WeakPolarHBondContact CB-OD1 3.46Å; P105-N151 HydrophobicContact CG-CB 3.9Å |
| 152 | L | 93.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150 | 170.7 | -68.8 | -179.3 | 0 | 0 | 0 | 109.8 | T25 L26 V28 I102 L111 K147 | T25-L152 WeakPolarHBondContact CA-O 3.49Å; L26-L152 HydrophobicContact CD2-CB 4.2Å; L26-L152 HydrophobicContact CG-CB 4.5Å; L26-L152 PolarHBondContact N-O 2.62Å; L26-L152 PolarHBondContact O-N 3.31Å; V28-L152 HydrophobicContact CG2-CB 4.38Å; V28-L152 HydrophobicContact CG2-CD1 3.49Å; V28-L152 VanDerWaalsContact CG2-CD1 3.49Å; V28-L152 HydrophobicContact CG2-CG 3.82Å; I102-L152 HydrophobicContact CG2-CB 4.37Å; I102-L152 HydrophobicContact CG2-CD1 4.21Å; I102-L152 HydrophobicContact CG2-CD2 4.08Å; I102-L152 HydrophobicContact CG2-CG 4.47Å; L111-L152 HydrophobicContact CD1-CD2 3.81Å; K147-L152 HydrophobicContact CB-CD1 4.07Å; K147-L152 HydrophobicContact CB-CD2 4.06Å; K147-L152 HydrophobicContact CB-CG 4.15Å; K147-L152 HydrophobicContact CD-CD2 4.03Å; K147-L152 HydrophobicContact CG-CD2 3.92Å |
| 153 | L | 95 | Very high | 92.9 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.1 | 170.1 | 175.2 | 60.6 | 0 | 0 | 0 | 109.2 | P23 I102 L103 P105 V155 | P23-L153 HydrophobicContact CB-CD1 3.93Å; I102-L153 CarbonylContact C-O 3.47Å; I102-L153 WeakPolarHBondContact CA-O 3.08Å; L103-L153 HydrophobicContact CB-CB 4.23Å; L103-L153 HydrophobicContact CB-CD2 4.24Å; L103-L153 HydrophobicContact CB-CG 4.36Å; L103-L153 HydrophobicContact CD1-CD2 4.21Å; L103-L153 PolarHBondContact N-O 3.11Å; L103-L153 PolarHBondContact O-N 2.91Å; L103-L153 VanDerWaalsContact O-N 3.08Å; P105-L153 HydrophobicContact CB-CB 4.31Å; L153-V155 HydrophobicContact CD1-CG2 4.38Å; L153-V155 HydrophobicContact CD2-CG2 4.29Å; L153-V155 HydrophobicContact CG-CG2 4Å |
| 154 | V | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.2 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | W24 L26 L81 Q101 I102 V156 | W24-V154 HydrophobicContact CB-CB 4.32Å; W24-V154 HydrophobicContact CE3-CB 4.03Å; W24-V154 HydrophobicContact CE3-CG1 4.38Å; W24-V154 HydrophobicContact CE3-CG2 3.97Å; W24-V154 HydrophobicContact CZ3-CG2 4.43Å; W24-V154 PolarHBondContact N-O 3.34Å; W24-V154 PolarHBondContact O-N 2.97Å; L26-V154 HydrophobicContact CD2-CB 4.47Å; L26-V154 HydrophobicContact CD2-CG2 3.39Å; L81-V154 HydrophobicContact CD2-CG1 3.79Å; Q101-V154 WeakPolarHBondContact O-CA 3.36Å; I102-V154 HydrophobicContact CD1-CB 4.31Å; I102-V154 HydrophobicContact CD1-CG1 4.15Å; I102-V154 HydrophobicContact CD1-CG2 3.72Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å |
| 155 | V | 95.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.6 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | Q21 A100 Q101 L103 L153 | Q21-V155 HydrophobicContact CG-CG1 3.58Å; A100-V155 WeakPolarHBondContact CA-O 3.49Å; Q101-V155 HydrophobicContact CG-CB 3.95Å; Q101-V155 PolarHBondContact N-O 2.97Å; Q101-V155 PolarHBondContact O-N 2.91Å; L103-V155 HydrophobicContact CD1-CG2 3.69Å; L103-V155 HydrophobicContact CG-CG2 4.29Å; L153-V155 HydrophobicContact CD1-CG2 4.38Å; L153-V155 HydrophobicContact CD2-CG2 4.29Å; L153-V155 HydrophobicContact CG-CG2 4Å |
| 156 | V | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | Q21 H22 L59 V98 R99 A100 V154 I158 | Q21-V156 CarbonylContact C-O 3.56Å; Q21-V156 WeakPolarHBondContact CA-O 3.46Å; H22-V156 PolarHBondContact N-O 3.45Å; H22-V156 PolarHBondContact O-N 3.44Å; L59-V156 HydrophobicContact CD1-CB 4.38Å; L59-V156 HydrophobicContact CD1-CG2 3.5Å; L59-V156 HydrophobicContact CD2-CG2 3.83Å; L59-V156 HydrophobicContact CG-CG2 4.31Å; V98-V156 HydrophobicContact CG1-CG1 3.62Å; R99-V156 CarbonylContact O-C 3.59Å; R99-V156 WeakPolarHBondContact O-CA 3.5Å; A100-V156 HydrophobicContact CB-CG2 3.99Å; V154-V156 HydrophobicContact CG1-CG2 3.87Å; V156-I158 HydrophobicContact CG1-CG1 4.02Å |
| 157 | E | 95.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 34 Ų | 34 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.5 | 170.4 | -175.8 | 178.7 | -124.9 | 0 | 0 | 108.7 | S19 F20 V98 R99 | S19-E157 WeakPolarHBondContact OG-CG 3.43Å; S19-E157 PolarHBondContact OG-OE1 3.47Å; F20-E157 CarbonylContact O-C 3.59Å; F20-E157 VanDerWaalsContact O-CA 3.29Å; F20-E157 WeakPolarHBondContact O-CA 3.46Å; V98-E157 CarbonylContact C-O 3.53Å; V98-E157 VanDerWaalsContact CA-O 3.3Å; V98-E157 WeakPolarHBondContact CA-O 3.34Å; R99-E157 HydrophobicContact CB-CB 4.4Å; R99-E157 PolarHBondContact N-O 2.94Å; R99-E157 PolarHBondContact O-N 3.36Å |
| 158 | I | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.7 | 178.5 | -52.7 | 177.5 | 0 | 0 | 0 | 107.8 | F20 F46 T48 W57 L83 V95 V98 V156 M160 | F20-I158 PolarHBondContact N-O 3.25Å; F20-I158 PolarHBondContact O-N 3.37Å; F46-I158 HydrophobicContact CE2-CD1 3.84Å; F46-I158 HydrophobicContact CZ-CD1 4.14Å; T48-I158 HydrophobicContact CG2-CD1 4.4Å; W57-I158 HydrophobicContact CD2-CD1 4.25Å; W57-I158 HydrophobicContact CG-CD1 4.12Å; L83-I158 HydrophobicContact CD1-CD1 4.09Å; L83-I158 HydrophobicContact CD2-CD1 4.02Å; L83-I158 HydrophobicContact CD2-CG1 4.35Å; V95-I158 HydrophobicContact CG1-CG2 3.78Å; V98-I158 HydrophobicContact CG1-CG1 4.48Å; V98-I158 HydrophobicContact CG2-CG2 4.48Å; V156-I158 HydrophobicContact CG1-CG1 4.02Å; I158-M160 HydrophobicContact CG2-CG 3.92Å; I158-M160 HydrophobicContact CG2-SD 4.19Å |
| 159 | K | 94.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 19% | 0.191 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.8 | 176.7 | -67.4 | -172.5 | -170.7 | 162.9 | 0 | 110.9 | V17 I18 V95 E96 E97 | 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 3.32Å; V95-K159 WeakPolarHBondContact CG1-O 3.28Å; E96-K159 HydrophobicContact CB-CB 4.44Å; E96-K159 PolarHBondContact N-O 2.87Å; E97-K159 HydrophobicContact CB-CB 4.11Å; E97-K159 HydrophobicContact CB-CD 4.19Å; E97-K159 HydrophobicContact CB-CG 4.46Å; E97-K159 PolarHBondContact N-O 3.4Å; E97-K159 PolarHBondContact O-N 2.96Å; E97-K159 WeakPolarHBondContact OE2-CD 3.26Å; E97-K159 WeakPolarHBondContact OE2-CE 3.41Å; E97-K159 IonicContact OE2-NZ 3.87Å; E97-K159 PolarHBondContact OE2-NZ 3.08Å |
| 160 | M | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.2 | -175.1 | -61.7 | -177.6 | 71.4 | 0 | 0 | 109.7 | I18 F20 F55 W57 V93 I158 L164 F165 | I18-M160 PolarHBondContact N-O 3.21Å; I18-M160 PolarHBondContact O-N 3.17Å; F20-M160 HydrophobicContact CE2-CB 4.39Å; F20-M160 HydrophobicContact CE2-SD 4.45Å; F55-M160 HydrophobicContact CB-CE 4.48Å; F55-M160 HydrophobicContact CD1-CE 4.12Å; F55-M160 HydrophobicContact CD2-CE 3.67Å; F55-M160 HydrophobicContact CD2-SD 4.46Å; F55-M160 HydrophobicContact CE1-CE 4.21Å; F55-M160 HydrophobicContact CE2-CE 3.77Å; F55-M160 HydrophobicContact CG-CE 3.84Å; F55-M160 HydrophobicContact CZ-CE 4.03Å; W57-M160 HydrophobicContact CZ2-CE 3.9Å; W57-M160 HydrophobicContact CZ2-SD 3.86Å; V93-M160 HydrophobicContact CG2-CE 3.72Å; I158-M160 HydrophobicContact CG2-CG 3.92Å; I158-M160 HydrophobicContact CG2-SD 4.19Å; M160-L164 HydrophobicContact CB-CD1 4.15Å; M160-L164 HydrophobicContact CE-CD1 3.77Å; M160-F165 HydrophobicContact CB-CE2 3.91Å; M160-F165 HydrophobicContact CB-CZ 4.38Å; M160-F165 HydrophobicContact CE-CZ 4.27Å; M160-F165 HydrophobicContact SD-CE2 4.42Å; M160-F165 HydrophobicContact SD-CZ 3.97Å |
| 161 | K | 93.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 32% | 0.322 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 140.5 | 172.5 | -75.6 | 177.1 | 161.5 | 123.7 | 0 | 111 | D15 E96 S163 L164 | D15-K161 HydrophobicContact CB-CB 4.39Å; D15-K161 HydrophobicContact CB-CD 4.12Å; D15-K161 HydrophobicContact CB-CG 4.08Å; E96-K161 HydrophobicContact CG-CG 4Å; E96-K161 WeakPolarHBondContact OE1-CD 3.37Å; E96-K161 WeakPolarHBondContact OE1-CE 3.32Å; E96-K161 WeakPolarHBondContact OE1-CG 3.29Å; E96-K161 IonicContact OE1-NZ 3.67Å; E96-K161 PolarHBondContact OE1-NZ 2.99Å; K161-S163 PolarHBondContact O-N 2.82Å; K161-L164 HydrophobicContact CB-CD1 4.39Å; K161-L164 HydrophobicContact CB-CG 4.32Å; K161-L164 WeakPolarHBondContact O-CB 3.37Å; K161-L164 PolarHBondContact O-N 3.46Å |
| 162 | E | 91.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -60.8 | -33.8 | 176 | 175.7 | 166.3 | -156.2 | 0 | 0 | 112.2 | S16 I18 Y50 K51 L164 F165 | S16-E162 VanDerWaalsContact O-CB 3.29Å; S16-E162 WeakPolarHBondContact O-CB 3.45Å; S16-E162 PolarHBondContact O-N 3.33Å; S16-E162 WeakPolarHBondContact OG-CB 3.46Å; S16-E162 PolarHBondContact OG-OE2 2.92Å; I18-E162 HydrophobicContact CD1-CB 3.88Å; I18-E162 HydrophobicContact CD1-CG 4.04Å; I18-E162 HydrophobicContact CG1-CB 4.07Å; Y50-E162 HydrophobicContact CE1-CG 3.87Å; Y50-E162 WeakPolarHBondContact CE1-OE1 3.18Å; Y50-E162 PolarHBondContact OH-OE1 3.02Å; K51-E162 WeakPolarHBondContact CE-OE1 3.37Å; K51-E162 IonicContact NZ-OE1 2.66Å; K51-E162 PolarHBondContact NZ-OE1 3.33Å; E162-L164 PolarHBondContact O-N 2.8Å; E162-L164 VanDerWaalsContact O-N 3.14Å; E162-F165 WeakPolarHBondContact O-CB 3.37Å; E162-F165 PolarHBondContact O-N 2.81Å |
| 163 | S | 91.5 | Very high | 91.5 | Very high | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.1 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | D15 K161 F165 E166 N169 | D15-S163 WeakPolarHBondContact OD2-CB 3.23Å; D15-S163 PolarHBondContact OD2-OG 2.84Å; K161-S163 PolarHBondContact O-N 2.82Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-E166 PolarHBondContact O-N 3.48Å; S163-N169 PolarHBondContact O-ND2 3.07Å |
| 164 | L | 92.7 | Very high | 90.3 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -68.8 | -13.1 | 171.7 | -65.6 | 172.1 | 0 | 0 | 0 | 112.9 | F55 V93 A94 M160 K161 E162 Y170 | F55-L164 HydrophobicContact CE2-CB 4.18Å; F55-L164 HydrophobicContact CZ-CB 3.98Å; V93-L164 HydrophobicContact CG2-CD1 3.91Å; V93-L164 HydrophobicContact CG2-CD2 4.3Å; A94-L164 WeakPolarHBondContact O-CD1 3.49Å; M160-L164 HydrophobicContact CB-CD1 4.15Å; M160-L164 HydrophobicContact CE-CD1 3.77Å; K161-L164 HydrophobicContact CB-CD1 4.39Å; K161-L164 HydrophobicContact CB-CG 4.32Å; K161-L164 WeakPolarHBondContact O-CB 3.37Å; K161-L164 PolarHBondContact O-N 3.46Å; E162-L164 PolarHBondContact O-N 2.8Å; E162-L164 VanDerWaalsContact O-N 3.14Å; L164-Y170 PolarHBondContact O-OH 2.97Å |
| 165 | F | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -107 | 16.2 | -179.7 | -62.8 | -87 | 0 | 0 | 0 | 112.3 | I18 F20 Y50 V53 F55 M160 E162 S163 P167 | I18-F165 HydrophobicContact CD1-CD2 3.99Å; I18-F165 HydrophobicContact CD1-CE2 4.32Å; F20-F165 HydrophobicContact CE1-CZ 4.41Å; F20-F165 HydrophobicContact CE2-CE1 4.41Å; F20-F165 AromaticContact CE2-CE2 3.79Å; F20-F165 HydrophobicContact CE2-CE2 3.79Å; F20-F165 AromaticContact CE2-CZ 3.46Å; F20-F165 HydrophobicContact CE2-CZ 3.46Å; F20-F165 VanDerWaalsContact CE2-CZ 3.46Å; F20-F165 AromaticContact CZ-CE1 3.86Å; F20-F165 HydrophobicContact CZ-CE1 3.86Å; F20-F165 AromaticContact CZ-CE2 3.84Å; F20-F165 HydrophobicContact CZ-CE2 3.84Å; F20-F165 AromaticContact CZ-CZ 3.32Å; F20-F165 HydrophobicContact CZ-CZ 3.32Å; Y50-F165 HydrophobicContact CD1-CB 3.63Å; Y50-F165 HydrophobicContact CD1-CD2 4.3Å; Y50-F165 AromaticContact CD1-CG 3.95Å; Y50-F165 HydrophobicContact CD1-CG 3.95Å; Y50-F165 HydrophobicContact CG-CB 4.42Å; Y50-F165 HydrophobicContact CG-CG 4.38Å; Y50-F165 WeakPolarHBondContact O-CD1 3.48Å; V53-F165 HydrophobicContact CB-CB 4.28Å; V53-F165 HydrophobicContact CB-CD1 4.01Å; V53-F165 HydrophobicContact CG1-CD1 4.21Å; V53-F165 WeakPolarHBondContact CG2-O 3.48Å; V53-F165 WeakPolarHBondContact O-CD1 3.41Å; F55-F165 HydrophobicContact CD2-CD1 4.47Å; F55-F165 AromaticContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CE1 3.76Å; F55-F165 HydrophobicContact CD2-CZ 4Å; F55-F165 HydrophobicContact CE2-CD1 4.18Å; F55-F165 AromaticContact CE2-CE1 3.84Å; F55-F165 HydrophobicContact CE2-CE1 3.84Å; F55-F165 HydrophobicContact CE2-CZ 4.04Å; M160-F165 HydrophobicContact CB-CE2 3.91Å; M160-F165 HydrophobicContact CB-CZ 4.38Å; M160-F165 HydrophobicContact CE-CZ 4.27Å; M160-F165 HydrophobicContact SD-CE2 4.42Å; M160-F165 HydrophobicContact SD-CZ 3.97Å; E162-F165 WeakPolarHBondContact O-CB 3.37Å; E162-F165 PolarHBondContact O-N 2.81Å; S163-F165 PolarHBondContact O-N 3.26Å; F165-P167 WeakPolarHBondContact O-CD 3.22Å |
| 166 | E | 90.6 | Very high | 87.2 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | trans | -96 | 112.1 | 172.7 | -64.5 | -176.9 | 161.3 | 0 | 0 | 109.6 | S163 L168 N169 | S163-E166 PolarHBondContact O-N 3.48Å; E166-L168 PolarHBondContact O-N 3.29Å; E166-L168 VanDerWaalsContact O-N 3.16Å; E166-N169 WeakPolarHBondContact CB-ND2 3.49Å; E166-N169 WeakPolarHBondContact O-CB 3.04Å; E166-N169 PolarHBondContact O-N 2.76Å; E166-N169 PolarHBondContact OE2-ND2 3.12Å | ||
| 167 | P | 89.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -59.5 | -32.9 | -173.2 | -25.9 | 33.8 | 0 | 0 | 0 | 114.2 | V53 F165 N169 Y170 I297 I320 V324 | V53-P167 HydrophobicContact CG2-CB 4.36Å; V53-P167 HydrophobicContact CG2-CG 3.66Å; F165-P167 WeakPolarHBondContact O-CD 3.22Å; P167-N169 PolarHBondContact O-N 3.25Å; P167-Y170 PolarHBondContact O-N 2.65Å; P167-I297 HydrophobicContact CB-CD1 4.15Å; P167-I297 HydrophobicContact CG-CD1 3.84Å; P167-I297 HydrophobicContact CG-CG1 4.47Å; P167-I320 HydrophobicContact CB-CG2 4.16Å; P167-I320 WeakPolarHBondContact O-CG2 3.45Å; P167-V324 HydrophobicContact CB-CG2 3.44Å; P167-V324 VanDerWaalsContact CB-CG2 3.44Å; P167-V324 HydrophobicContact CG-CG2 3.44Å; P167-V324 VanDerWaalsContact CG-CG2 3.44Å |
| 168 | L | 89.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -69.2 | -19.6 | -175.3 | -56.4 | -176.9 | 0 | 0 | 0 | 113.1 | E166 Y170 L171 R290 C293 Q294 I297 | E166-L168 PolarHBondContact O-N 3.29Å; E166-L168 VanDerWaalsContact O-N 3.16Å; L168-Y170 PolarHBondContact O-N 3.24Å; L168-L171 HydrophobicContact CD2-CD1 4.33Å; L168-L171 PolarHBondContact O-N 3.45Å; L168-R290 HydrophobicContact CD2-CG 4.43Å; L168-C293 HydrophobicContact CD2-CB 3.93Å; L168-Q294 HydrophobicContact CD1-CG 3.69Å; L168-Q294 HydrophobicContact CD2-CG 3.97Å; L168-I297 HydrophobicContact CD2-CD1 4.35Å; L168-I297 HydrophobicContact CG-CD1 4.28Å |
| 169 | N | 89.1 | Confident | 81.4 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -70.6 | -13.7 | 177 | -67.8 | -13 | 0 | 0 | 0 | 112.5 | S163 E166 P167 | S163-N169 PolarHBondContact O-ND2 3.07Å; E166-N169 WeakPolarHBondContact CB-ND2 3.49Å; E166-N169 WeakPolarHBondContact O-CB 3.04Å; E166-N169 PolarHBondContact O-N 2.76Å; E166-N169 PolarHBondContact OE2-ND2 3.12Å; P167-N169 PolarHBondContact O-N 3.25Å |
| 170 | Y | 89.7 | Confident | 80.2 | Confident | 45 Ų | 45 | 52 Ų | 52 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -95.9 | -1.4 | 177.3 | -57.8 | -66 | 0 | 0 | 0 | 114.1 | V53 F55 P89 C90 L164 P167 L168 I320 M323 | V53-Y170 HydrophobicContact CG1-CE2 4.09Å; F55-Y170 VanDerWaalsContact CZ-OH 3.26Å; F55-Y170 WeakPolarHBondContact CZ-OH 3.45Å; P89-Y170 HydrophobicContact CB-CD1 3.65Å; P89-Y170 HydrophobicContact CB-CD2 3.7Å; P89-Y170 HydrophobicContact CB-CE1 3.6Å; P89-Y170 HydrophobicContact CB-CE2 3.67Å; P89-Y170 HydrophobicContact CB-CG 3.69Å; P89-Y170 HydrophobicContact CG-CD1 4.12Å; P89-Y170 HydrophobicContact CG-CD2 4.17Å; P89-Y170 HydrophobicContact CG-CE1 3.52Å; P89-Y170 HydrophobicContact CG-CE2 3.59Å; P89-Y170 HydrophobicContact CG-CG 4.4Å; P89-Y170 WeakPolarHBondContact CG-OH 3.32Å; C90-Y170 HydrophobicContact CB-CD1 4.11Å; C90-Y170 HydrophobicContact CB-CE1 3.87Å; L164-Y170 PolarHBondContact O-OH 2.97Å; P167-Y170 PolarHBondContact O-N 2.65Å; L168-Y170 PolarHBondContact O-N 3.24Å; Y170-I320 VanDerWaalsContact CB-CD1 3.46Å; Y170-I320 HydrophobicContact CG-CD1 4.35Å; Y170-M323 HydrophobicContact CD2-CE 4.29Å |
| 171 | L | 89.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -101 | 154.3 | 174.5 | -66.2 | 171.1 | 0 | 0 | 0 | 109.5 | L168 D173 K286 E289 R290 I320 | L168-L171 HydrophobicContact CD2-CD1 4.33Å; L168-L171 PolarHBondContact O-N 3.45Å; L171-D173 PolarHBondContact O-N 3.33Å; L171-D173 VanDerWaalsContact O-N 3.12Å; L171-K286 HydrophobicContact CD2-CD 3.8Å; L171-E289 HydrophobicContact CD2-CB 4.4Å; L171-E289 HydrophobicContact CD2-CG 4.13Å; L171-R290 VanDerWaalsContact C-NH2 3.25Å; L171-R290 VanDerWaalsContact CD1-CA 3.44Å; L171-R290 HydrophobicContact CD1-CB 3.74Å; L171-R290 HydrophobicContact CD1-CG 4.28Å; L171-R290 PolarHBondContact O-NH2 2.95Å; L171-I320 HydrophobicContact CD1-CG2 4.49Å; L171-I320 HydrophobicContact CD2-CB 4.12Å; L171-I320 HydrophobicContact CD2-CG1 3.7Å; L171-I320 HydrophobicContact CG-CB 4.37Å; L171-I320 HydrophobicContact CG-CG1 4.11Å; L171-I320 HydrophobicContact CG-CG2 4.29Å |
| 172 | P | 85.6 | Confident | 79.1 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 119.7 | -173.7 | -26.6 | 34.2 | 0 | 0 | 0 | 112.7 | V174 K286 R290 | P172-V174 VanDerWaalsContact O-CG2 3.27Å; P172-V174 WeakPolarHBondContact O-CG2 3.39Å; P172-V174 PolarHBondContact O-N 2.89Å; P172-V174 VanDerWaalsContact O-N 3.09Å; P172-K286 HydrophobicContact CG-CB 4.13Å; P172-K286 HydrophobicContact CG-CG 4.31Å; P172-R290 PolarHBondContact O-NH2 2.96Å |
| 173 | D | 75.7 | Confident | 78.8 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 116.8 | -175 | -176.3 | -3.5 | 0 | 0 | 0 | 111.2 | L171 E175 T176 | L171-D173 PolarHBondContact O-N 3.33Å; L171-D173 VanDerWaalsContact O-N 3.12Å; D173-E175 PolarHBondContact OD1-N 3.07Å; D173-T176 PolarHBondContact OD1-N 2.89Å; D173-T176 WeakPolarHBondContact OD2-CB 3.34Å; D173-T176 PolarHBondContact OD2-OG1 2.85Å |
| 174 | V | 70.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -97.9 | -30.4 | 177.6 | -163.6 | 0 | 0 | 0 | 0 | 110.4 | P172 A177 F178 H252 | P172-V174 VanDerWaalsContact O-CG2 3.27Å; P172-V174 WeakPolarHBondContact O-CG2 3.39Å; P172-V174 PolarHBondContact O-N 2.89Å; P172-V174 VanDerWaalsContact O-N 3.09Å; V174-A177 CarbonylContact O-C 3.53Å; V174-A177 WeakPolarHBondContact O-CA 3.23Å; V174-A177 VanDerWaalsContact O-CB 3.28Å; V174-A177 WeakPolarHBondContact O-CB 3.39Å; V174-A177 PolarHBondContact O-N 3.26Å; V174-F178 HydrophobicContact CB-CE2 4.35Å; V174-F178 HydrophobicContact CG1-CD2 3.8Å; V174-F178 HydrophobicContact CG1-CE2 3.36Å; V174-F178 HydrophobicContact CG1-CZ 4.17Å; V174-F178 WeakPolarHBondContact O-CD2 3.18Å; V174-F178 PolarHBondContact O-N 3.41Å; V174-H252 HydrophobicContact CG1-CB 3.52Å; V174-H252 HydrophobicContact CG2-CB 4.34Å |
| 175 | E | 66.1 | Low | 78.5 | Confident | 160 Ų | 160 | 65.7 Ų | 65.7 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -39.3 | -178.9 | -66.2 | -168.9 | 172.9 | 0 | 0 | 112 | D173 A177 F178 R179 | D173-E175 PolarHBondContact OD1-N 3.07Å; E175-A177 VanDerWaalsContact C-N 3.31Å; E175-F178 PolarHBondContact O-N 2.92Å; E175-R179 PolarHBondContact O-N 3.24Å |
| 176 | T | 59.7 | Low | 78.5 | Confident | 53 Ų | 53 | 66 Ų | 66 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29.3 | 170.3 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | D173 F178 R179 | D173-T176 PolarHBondContact OD1-N 2.89Å; D173-T176 WeakPolarHBondContact OD2-CB 3.34Å; D173-T176 PolarHBondContact OD2-OG1 2.85Å; T176-F178 VanDerWaalsContact C-N 3.33Å; T176-F178 PolarHBondContact O-N 3.48Å; T176-R179 VanDerWaalsContact O-CB 3.28Å; T176-R179 WeakPolarHBondContact O-CB 3.17Å; T176-R179 PolarHBondContact O-N 3.43Å; T176-R179 VanDerWaalsContact O-N 3.1Å |
| 177 | A | 52.3 | Low | 78.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -66.5 | -35.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V174 E175 R179 S180 L245 T249 | V174-A177 CarbonylContact O-C 3.53Å; V174-A177 WeakPolarHBondContact O-CA 3.23Å; V174-A177 VanDerWaalsContact O-CB 3.28Å; V174-A177 WeakPolarHBondContact O-CB 3.39Å; V174-A177 PolarHBondContact O-N 3.26Å; E175-A177 VanDerWaalsContact C-N 3.31Å; A177-R179 PolarHBondContact O-N 2.88Å; A177-S180 PolarHBondContact O-N 3.3Å; A177-L245 HydrophobicContact CB-CD2 4.25Å; A177-T249 VanDerWaalsContact CB-OG1 3.29Å; A177-T249 WeakPolarHBondContact CB-OG1 3.48Å |
| 178 | F | 55 | Low | 78.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 26% | 0.263 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -68.8 | -13.1 | 170.3 | -74.7 | -66.1 | 0 | 0 | 0 | 114.6 | V174 E175 T176 S180 E184 H252 I253 | V174-F178 HydrophobicContact CB-CE2 4.35Å; V174-F178 HydrophobicContact CG1-CD2 3.8Å; V174-F178 HydrophobicContact CG1-CE2 3.36Å; V174-F178 HydrophobicContact CG1-CZ 4.17Å; V174-F178 WeakPolarHBondContact O-CD2 3.18Å; V174-F178 PolarHBondContact O-N 3.41Å; E175-F178 PolarHBondContact O-N 2.92Å; T176-F178 VanDerWaalsContact C-N 3.33Å; T176-F178 PolarHBondContact O-N 3.48Å; F178-S180 PolarHBondContact O-N 3.18Å; F178-S180 VanDerWaalsContact O-N 3.15Å; F178-E184 HydrophobicContact CD1-CB 4.29Å; F178-E184 VanDerWaalsContact CD1-CD 3.44Å; F178-E184 HydrophobicContact CD1-CG 3.73Å; F178-E184 HydrophobicContact CE1-CG 3.83Å; F178-H252 AromaticContact CE2-CD2 3.67Å; F178-H252 AromaticContact CE2-NE2 3.78Å; F178-H252 AromaticContact CZ-CD2 3.42Å; F178-H252 VanDerWaalsContact CZ-CD2 3.42Å; F178-H252 WeakPolarHBondContact CZ-CD2 3.44Å; F178-H252 AromaticContact CZ-NE2 3.77Å; F178-I253 HydrophobicContact CE1-CD1 4.49Å |
| 179 | R | 57.9 | Low | 79 | Confident | 197 Ų | 197 | 66.9 Ų | 66.9 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -65.8 | -17.3 | 175.8 | -65.1 | -179.8 | -173.1 | 177.2 | 1.7 | 112.7 | E175 T176 A177 | E175-R179 PolarHBondContact O-N 3.24Å; T176-R179 VanDerWaalsContact O-CB 3.28Å; T176-R179 WeakPolarHBondContact O-CB 3.17Å; T176-R179 PolarHBondContact O-N 3.43Å; T176-R179 VanDerWaalsContact O-N 3.1Å; A177-R179 PolarHBondContact O-N 2.88Å |
| 180 | S | 68.4 | Low | 79.3 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | trans | -96.6 | 89.6 | 168.5 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | A177 F178 R182 I183 E184 | A177-S180 PolarHBondContact O-N 3.3Å; F178-S180 PolarHBondContact O-N 3.18Å; F178-S180 VanDerWaalsContact O-N 3.15Å; S180-R182 PolarHBondContact O-N 3.4Å; S180-I183 PolarHBondContact O-N 3Å; S180-I183 WeakPolarHBondContact OG-CG1 3.41Å; S180-I183 PolarHBondContact OG-N 2.86Å; S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.09Å | ||
| 181 | Q | 79.1 | Confident | 79.5 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 60% | 0.603 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -52 | -24.3 | 170.3 | -69.4 | -175.4 | 4.2 | 0 | 0 | 112.7 | K185 | Q181-K185 VanDerWaalsContact O-CB 3.25Å; Q181-K185 WeakPolarHBondContact O-CB 3.24Å; Q181-K185 VanDerWaalsContact O-CD 3.31Å; Q181-K185 WeakPolarHBondContact O-CD 3.39Å; Q181-K185 WeakPolarHBondContact O-CG 3.21Å; Q181-K185 PolarHBondContact O-N 3.31Å; Q181-K185 VanDerWaalsContact O-N 3.16Å |
| 182 | R | 84.6 | Confident | 79.8 | Confident | 129 Ų | 129 | 63.4 Ų | 63.4 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.4 | -51.6 | 174.4 | -177.7 | -179.1 | 175.8 | 174.8 | 0.9 | 111.2 | S180 K185 A186 E231 D234 | S180-R182 PolarHBondContact O-N 3.4Å; R182-K185 PolarHBondContact O-N 2.99Å; R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.07Å; R182-E231 PolarHBondContact NH2-O 2.78Å; R182-D234 IonicContact NH2-OD2 3.02Å; R182-D234 PolarHBondContact NH2-OD2 2.96Å |
| 183 | I | 86.6 | Confident | 80.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -50.8 | 180 | -65.9 | 168.3 | 0 | 0 | 0 | 109.7 | S180 K185 A186 V187 I232 L245 V246 T249 | S180-I183 PolarHBondContact O-N 3Å; S180-I183 WeakPolarHBondContact OG-CG1 3.41Å; S180-I183 PolarHBondContact OG-N 2.86Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.17Å; I183-A186 PolarHBondContact O-N 3.45Å; I183-A186 VanDerWaalsContact O-N 3.16Å; I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CG2 3.26Å; I183-V187 PolarHBondContact O-N 2.91Å; I183-I232 HydrophobicContact CB-CD1 4.03Å; I183-I232 HydrophobicContact CG1-CD1 3.55Å; I183-I232 HydrophobicContact CG1-CG2 4.3Å; I183-I232 HydrophobicContact CG2-CD1 4.33Å; I183-L245 HydrophobicContact CD1-CB 4.09Å; I183-V246 HydrophobicContact CD1-CG2 4.31Å; I183-V246 HydrophobicContact CG1-CG2 4.22Å; I183-V246 HydrophobicContact CG2-CG2 3.97Å; I183-T249 HydrophobicContact CG2-CG2 4Å |
| 184 | E | 88 | Confident | 81.1 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56 | -45.7 | -179.4 | -175.7 | -168.5 | 172.4 | 0 | 0 | 112.3 | F178 S180 N188 I253 | F178-E184 HydrophobicContact CD1-CB 4.29Å; F178-E184 VanDerWaalsContact CD1-CD 3.44Å; F178-E184 HydrophobicContact CD1-CG 3.73Å; F178-E184 HydrophobicContact CE1-CG 3.83Å; S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.09Å; E184-N188 WeakPolarHBondContact O-CB 3.48Å; E184-N188 PolarHBondContact O-N 3.14Å; E184-N188 PolarHBondContact O-ND2 3.16Å; E184-I253 HydrophobicContact CG-CD1 4.19Å |
| 185 | K | 89.7 | Confident | 82 | Confident | 133 Ų | 133 | 64.4 Ų | 64.4 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 178 | -76.1 | 172.4 | -173.7 | 170.9 | 0 | 112.2 | Q181 R182 I183 K189 | Q181-K185 VanDerWaalsContact O-CB 3.25Å; Q181-K185 WeakPolarHBondContact O-CB 3.24Å; Q181-K185 VanDerWaalsContact O-CD 3.31Å; Q181-K185 WeakPolarHBondContact O-CD 3.39Å; Q181-K185 WeakPolarHBondContact O-CG 3.21Å; Q181-K185 PolarHBondContact O-N 3.31Å; Q181-K185 VanDerWaalsContact O-N 3.16Å; R182-K185 PolarHBondContact O-N 2.99Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.17Å; K185-K189 VanDerWaalsContact O-CB 3.27Å; K185-K189 WeakPolarHBondContact O-CB 3.39Å; K185-K189 PolarHBondContact O-N 2.92Å |
| 186 | A | 91.3 | Very high | 83.3 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | R182 I183 K189 F190 V228 I232 | R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.07Å; I183-A186 PolarHBondContact O-N 3.45Å; I183-A186 VanDerWaalsContact O-N 3.16Å; A186-K189 PolarHBondContact O-N 2.82Å; A186-F190 WeakPolarHBondContact O-CB 3.19Å; A186-F190 PolarHBondContact O-N 2.88Å; A186-V228 HydrophobicContact CB-CG1 3.92Å; A186-I232 HydrophobicContact CB-CD1 4.14Å |
| 187 | V | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | I183 K189 F190 V191 V228 T249 F250 I253 | I183-V187 HydrophobicContact CG2-CG2 4.13Å; I183-V187 WeakPolarHBondContact O-CG2 3.26Å; I183-V187 PolarHBondContact O-N 2.91Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 2.63Å; V187-F190 PolarHBondContact O-N 2.66Å; V187-V191 HydrophobicContact CG1-CG2 4.29Å; V187-V191 WeakPolarHBondContact O-CG2 3.26Å; V187-V191 PolarHBondContact O-N 3.38Å; V187-V228 HydrophobicContact CG2-CG1 3.91Å; V187-V228 HydrophobicContact CG2-CG2 4.46Å; V187-T249 HydrophobicContact CB-CG2 4.45Å; V187-T249 HydrophobicContact CG2-CG2 4.15Å; V187-F250 HydrophobicContact CB-CD2 4.48Å; V187-F250 HydrophobicContact CG1-CB 4.2Å; V187-F250 HydrophobicContact CG1-CD2 3.84Å; V187-F250 HydrophobicContact CG1-CE2 4.45Å; V187-F250 HydrophobicContact CG1-CG 4.13Å; V187-F250 HydrophobicContact CG2-CB 4.39Å; V187-F250 HydrophobicContact CG2-CD2 4.12Å; V187-I253 HydrophobicContact CB-CD1 3.97Å; V187-I253 HydrophobicContact CG1-CB 3.91Å; V187-I253 HydrophobicContact CG1-CD1 3.61Å; V187-I253 HydrophobicContact CG1-CG1 4.3Å; V187-I253 HydrophobicContact CG1-CG2 4.12Å |
| 188 | N | 93.7 | Very high | 86.5 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 178.4 | -91.1 | -65.1 | 0 | 0 | 0 | 111.7 | E184 F190 V191 D192 I253 R257 | E184-N188 WeakPolarHBondContact O-CB 3.48Å; E184-N188 PolarHBondContact O-N 3.14Å; E184-N188 PolarHBondContact O-ND2 3.16Å; N188-F190 VanDerWaalsContact C-N 3.33Å; N188-F190 PolarHBondContact O-N 2.98Å; N188-V191 PolarHBondContact O-N 2.93Å; N188-D192 WeakPolarHBondContact O-CB 3.46Å; N188-D192 PolarHBondContact O-N 2.95Å; N188-D192 VanDerWaalsContact O-OD2 3.12Å; N188-I253 WeakPolarHBondContact ND2-CD1 3.47Å; N188-R257 PolarHBondContact OD1-NH1 3.24Å |
| 189 | K | 94.7 | Very high | 88.1 | Confident | 114 Ų | 114 | 68 Ų | 68 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 176.7 | 179.9 | -172.5 | 170.2 | -161.1 | 0 | 111.4 | K185 A186 V187 D192 D193 | K185-K189 VanDerWaalsContact O-CB 3.27Å; K185-K189 WeakPolarHBondContact O-CB 3.39Å; K185-K189 PolarHBondContact O-N 2.92Å; A186-K189 PolarHBondContact O-N 2.82Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 2.63Å; K189-D192 PolarHBondContact O-N 3.26Å; K189-D193 WeakPolarHBondContact O-CB 3.42Å; K189-D193 VanDerWaalsContact O-CG 3.26Å; K189-D193 PolarHBondContact O-N 3.29Å |
| 190 | F | 95.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 178.1 | -177.6 | -82.3 | 0 | 0 | 0 | 111.5 | A186 V187 N188 D192 D193 V194 I199 I201 Y223 V228 F250 | A186-F190 WeakPolarHBondContact O-CB 3.19Å; A186-F190 PolarHBondContact O-N 2.88Å; V187-F190 PolarHBondContact O-N 2.66Å; N188-F190 VanDerWaalsContact C-N 3.33Å; N188-F190 PolarHBondContact O-N 2.98Å; F190-D192 VanDerWaalsContact C-N 3.33Å; F190-D192 PolarHBondContact O-N 3.21Å; F190-D193 PolarHBondContact O-N 3.46Å; F190-V194 HydrophobicContact CD1-CG2 4.01Å; F190-V194 HydrophobicContact CE1-CG2 3.44Å; F190-V194 VanDerWaalsContact CE1-CG2 3.44Å; F190-V194 HydrophobicContact CZ-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.5Å; F190-V194 PolarHBondContact O-N 2.79Å; F190-I199 HydrophobicContact CD2-CD1 3.7Å; F190-I199 HydrophobicContact CE2-CD1 3.71Å; F190-I199 HydrophobicContact CE2-CG2 4.38Å; F190-I199 HydrophobicContact CG-CD1 4.28Å; F190-I199 HydrophobicContact CZ-CD1 4.29Å; F190-I199 HydrophobicContact CZ-CG2 4.49Å; F190-I201 HydrophobicContact CZ-CD1 4.02Å; F190-Y223 HydrophobicContact CE2-CD1 4.06Å; F190-Y223 AromaticContact CE2-CE1 4Å; F190-Y223 HydrophobicContact CE2-CE1 4Å; F190-Y223 AromaticContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CE1 4.13Å; F190-V228 HydrophobicContact CB-CG2 3.91Å; F190-V228 HydrophobicContact CD2-CG2 4.37Å; F190-V228 HydrophobicContact CG-CG2 4.16Å; F190-F250 AromaticContact CD1-CE2 3.47Å; F190-F250 HydrophobicContact CD1-CE2 3.47Å; F190-F250 VanDerWaalsContact CD1-CE2 3.47Å; F190-F250 AromaticContact CD1-CZ 3.54Å; F190-F250 HydrophobicContact CD1-CZ 3.54Å; F190-F250 AromaticContact CE1-CE2 3.96Å; F190-F250 HydrophobicContact CE1-CE2 3.96Å; F190-F250 AromaticContact CE1-CZ 3.7Å; F190-F250 HydrophobicContact CE1-CZ 3.7Å; F190-F250 HydrophobicContact CG-CE2 4.15Å |
| 191 | V | 94.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 179.2 | 173 | 0 | 0 | 0 | 0 | 111 | V187 N188 V194 I195 F250 I253 Y254 R257 V258 | V187-V191 HydrophobicContact CG1-CG2 4.29Å; V187-V191 WeakPolarHBondContact O-CG2 3.26Å; V187-V191 PolarHBondContact O-N 3.38Å; N188-V191 PolarHBondContact O-N 2.93Å; V191-V194 PolarHBondContact O-N 2.88Å; V191-I195 HydrophobicContact CG1-CD1 3.78Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 VanDerWaalsContact O-CG1 3.28Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 2.78Å; V191-F250 HydrophobicContact CG2-CE1 4.49Å; V191-F250 HydrophobicContact CG2-CE2 4.45Å; V191-F250 HydrophobicContact CG2-CZ 4.14Å; V191-I253 HydrophobicContact CG2-CG2 4.24Å; V191-Y254 HydrophobicContact CG2-CD2 4.25Å; V191-R257 HydrophobicContact CG1-CB 4.49Å; V191-V258 HydrophobicContact CG1-CG2 4.35Å |
| 192 | D | 95.4 | Very high | 91 | Very high | 53 Ų | 53 | 63 Ų | 63 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174 | -83.4 | -48.8 | 0 | 0 | 0 | 112.3 | N188 K189 F190 V194 I195 N196 R257 | N188-D192 WeakPolarHBondContact O-CB 3.46Å; N188-D192 PolarHBondContact O-N 2.95Å; N188-D192 VanDerWaalsContact O-OD2 3.12Å; K189-D192 PolarHBondContact O-N 3.26Å; F190-D192 VanDerWaalsContact C-N 3.33Å; F190-D192 PolarHBondContact O-N 3.21Å; D192-V194 VanDerWaalsContact C-N 3.31Å; D192-V194 PolarHBondContact O-N 3Å; D192-I195 PolarHBondContact O-N 2.96Å; D192-N196 VanDerWaalsContact O-CB 3.29Å; D192-N196 WeakPolarHBondContact O-CB 3.31Å; D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.13Å; D192-N196 PolarHBondContact O-ND2 3.32Å; D192-R257 VanDerWaalsContact CG-NH1 3.3Å; D192-R257 IonicContact OD1-CZ 2.86Å; D192-R257 IonicContact OD1-NH1 3.89Å; D192-R257 PolarHBondContact OD1-NH1 2.85Å; D192-R257 IonicContact OD1-NH2 3.75Å; D192-R257 PolarHBondContact OD1-NH2 3.14Å; D192-R257 IonicContact OD2-CZ 3.07Å; D192-R257 IonicContact OD2-NH1 3.22Å; D192-R257 PolarHBondContact OD2-NH1 3.35Å; D192-R257 IonicContact OD2-NH2 2.62Å |
| 193 | D | 94.8 | Very high | 91 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.7 | -29.9 | -178.8 | -72.6 | -20 | 0 | 0 | 0 | 111.8 | K189 F190 G197 K198 I199 | K189-D193 WeakPolarHBondContact O-CB 3.42Å; K189-D193 VanDerWaalsContact O-CG 3.26Å; K189-D193 PolarHBondContact O-N 3.29Å; F190-D193 PolarHBondContact O-N 3.46Å; D193-G197 PolarHBondContact O-N 3Å; D193-K198 HydrophobicContact CB-CB 4.13Å; D193-K198 HydrophobicContact CB-CD 4.45Å; D193-K198 PolarHBondContact O-N 3.47Å; D193-K198 WeakPolarHBondContact OD1-CD 3.32Å; D193-K198 IonicContact OD1-NZ 3.79Å; D193-K198 PolarHBondContact OD1-NZ 3.42Å; D193-I199 HydrophobicContact CB-CD1 3.49Å; D193-I199 VanDerWaalsContact CB-CD1 3.49Å; D193-I199 HydrophobicContact CB-CG1 3.8Å; D193-I199 PolarHBondContact O-N 3.03Å |
| 194 | V | 93 | Very high | 91 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.4 | -50 | 169.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | F190 V191 D192 N196 G197 I199 I201 I220 | F190-V194 HydrophobicContact CD1-CG2 4.01Å; F190-V194 HydrophobicContact CE1-CG2 3.44Å; F190-V194 VanDerWaalsContact CE1-CG2 3.44Å; F190-V194 HydrophobicContact CZ-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.5Å; F190-V194 PolarHBondContact O-N 2.79Å; V191-V194 PolarHBondContact O-N 2.88Å; D192-V194 VanDerWaalsContact C-N 3.31Å; D192-V194 PolarHBondContact O-N 3Å; V194-N196 PolarHBondContact O-N 2.81Å; V194-G197 PolarHBondContact O-N 2.89Å; V194-I199 HydrophobicContact CG2-CB 4.29Å; V194-I199 HydrophobicContact CG2-CD1 4.3Å; V194-I201 HydrophobicContact CG2-CD1 4.07Å; V194-I220 HydrophobicContact CG1-CD1 4.19Å; V194-I220 HydrophobicContact CG1-CG1 4.41Å; V194-I220 HydrophobicContact CG1-CG2 4.07Å; V194-I220 HydrophobicContact CG2-CG2 4.5Å |
| 195 | I | 89.8 | Confident | 90.8 | Very high | 92 Ų | 92 | 67 Ų | 67 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 179.3 | -69.3 | 167.4 | 0 | 0 | 0 | 111 | V191 D192 G197 V258 | V191-I195 HydrophobicContact CG1-CD1 3.78Å; V191-I195 HydrophobicContact CG1-CG1 4.46Å; V191-I195 VanDerWaalsContact O-CG1 3.28Å; V191-I195 WeakPolarHBondContact O-CG1 3.21Å; V191-I195 PolarHBondContact O-N 2.78Å; D192-I195 PolarHBondContact O-N 2.96Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 2.77Å; I195-V258 HydrophobicContact CD1-CG2 4.22Å |
| 196 | N | 92.6 | Very high | 90.5 | Very high | 99 Ų | 99 | 67.4 Ų | 67.4 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.1 | 178.4 | -66.6 | -55.5 | 0 | 0 | 0 | 113.8 | D192 V194 K198 | D192-N196 VanDerWaalsContact O-CB 3.29Å; D192-N196 WeakPolarHBondContact O-CB 3.31Å; D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.13Å; D192-N196 PolarHBondContact O-ND2 3.32Å; V194-N196 PolarHBondContact O-N 2.81Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CG 4.17Å; N196-K198 PolarHBondContact O-N 2.93Å |
| 197 | G | 88 | Confident | 90.2 | Very high | 64 Ų | 64 | 68.9 Ų | 68.9 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 22.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | D193 V194 I195 | D193-G197 PolarHBondContact O-N 3Å; V194-G197 PolarHBondContact O-N 2.89Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 2.77Å |
| 198 | K | 91.3 | Very high | 89.7 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | trans | -85 | -19.2 | 180 | -60.1 | -177.3 | -158.4 | 153.6 | 0 | 113.3 | D193 N196 | D193-K198 HydrophobicContact CB-CB 4.13Å; D193-K198 HydrophobicContact CB-CD 4.45Å; D193-K198 PolarHBondContact O-N 3.47Å; D193-K198 WeakPolarHBondContact OD1-CD 3.32Å; D193-K198 IonicContact OD1-NZ 3.79Å; D193-K198 PolarHBondContact OD1-NZ 3.42Å; N196-K198 VanDerWaalsContact C-N 3.28Å; N196-K198 HydrophobicContact CB-CG 4.17Å; N196-K198 PolarHBondContact O-N 2.93Å | ||
| 199 | I | 88.3 | Confident | 89.1 | Confident | 46 Ų | 46 | 78 Ų | 78 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -107.5 | 129.8 | 178.4 | -66.8 | 170.6 | 0 | 0 | 0 | 109 | F190 D193 V194 I201 Y223 | F190-I199 HydrophobicContact CD2-CD1 3.7Å; F190-I199 HydrophobicContact CE2-CD1 3.71Å; F190-I199 HydrophobicContact CE2-CG2 4.38Å; F190-I199 HydrophobicContact CG-CD1 4.28Å; F190-I199 HydrophobicContact CZ-CD1 4.29Å; F190-I199 HydrophobicContact CZ-CG2 4.49Å; D193-I199 HydrophobicContact CB-CD1 3.49Å; D193-I199 VanDerWaalsContact CB-CD1 3.49Å; D193-I199 HydrophobicContact CB-CG1 3.8Å; D193-I199 PolarHBondContact O-N 3.03Å; V194-I199 HydrophobicContact CG2-CB 4.29Å; V194-I199 HydrophobicContact CG2-CD1 4.3Å; I199-I201 HydrophobicContact CG2-CD1 3.81Å; I199-Y223 HydrophobicContact CG2-CE1 3.87Å |
| 200 | R | 87.1 | Confident | 88.3 | Confident | 187 Ų | 187 | 82.2 Ų | 82.2 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | trans | -88.7 | 112.2 | 169.4 | -171.8 | 179 | -178 | -161.6 | -1 | 108.9 | E205 | R200-E205 IonicContact CZ-OE2 3.62Å; R200-E205 IonicContact NE-OE2 3.71Å; R200-E205 VanDerWaalsContact NH2-CD 3.32Å; R200-E205 IonicContact NH2-OE1 3.12Å; R200-E205 PolarHBondContact NH2-OE1 2.79Å; R200-E205 VanDerWaalsContact NH2-OE1 3.12Å; R200-E205 IonicContact NH2-OE2 2.71Å; R200-E205 PolarHBondContact NH2-OE2 3.14Å | ||
| 201 | I | 89.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 85.2 Ų | 85.2 | 5% | 0.046 | 44% | 0.443 | C | S | . | . | trans | -81.1 | 127.3 | 175 | -54.2 | -65.8 | 0 | 0 | 0 | 108.5 | F190 V194 I199 L204 L219 I220 Y223 | F190-I201 HydrophobicContact CZ-CD1 4.02Å; V194-I201 HydrophobicContact CG2-CD1 4.07Å; I199-I201 HydrophobicContact CG2-CD1 3.81Å; I201-L204 HydrophobicContact CB-CB 4.01Å; I201-L204 HydrophobicContact CB-CD2 3.95Å; I201-L204 HydrophobicContact CG1-CD2 4.23Å; I201-L204 HydrophobicContact CG2-CB 4.23Å; I201-L204 WeakPolarHBondContact O-CB 3.43Å; I201-L219 HydrophobicContact CG2-CB 4.16Å; I201-I220 HydrophobicContact CG1-CG1 4.15Å; I201-Y223 HydrophobicContact CD1-CD1 3.37Å; I201-Y223 HydrophobicContact CD1-CE1 3.9Å; I201-Y223 HydrophobicContact CD1-CG 4.21Å | ||
| 202 | P | 88.4 | Confident | 87.1 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 145.2 | 174.6 | -25.1 | 34.8 | 0 | 0 | 0 | 112.2 | L204 Y223 | P202-L204 PolarHBondContact O-N 3.29Å; P202-Y223 VanDerWaalsContact CD-CD2 3.45Å; P202-Y223 HydrophobicContact CG-CD2 3.78Å; P202-Y223 HydrophobicContact CG-CE2 3.71Å |
| 203 | D | 85.9 | Confident | 86.8 | Confident | 101 Ų | 101 | 89.1 Ų | 89.1 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -4.4 | 176.1 | -54.6 | -43.1 | 0 | 0 | 0 | 117.1 | E205 H206 L219 | D203-E205 PolarHBondContact O-N 2.92Å; D203-H206 PolarHBondContact O-N 3.48Å; D203-H206 VanDerWaalsContact O-N 3.09Å; D203-H206 IonicContact OD1-ND1 3.09Å; D203-L219 HydrophobicContact CB-CD1 4.38Å |
| 204 | L | 86.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 27% | 0.272 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -63.3 | -30.8 | -179 | -173.5 | 64.6 | 0 | 0 | 0 | 112.6 | I201 P202 H206 V207 V216 L219 | I201-L204 HydrophobicContact CB-CB 4.01Å; I201-L204 HydrophobicContact CB-CD2 3.95Å; I201-L204 HydrophobicContact CG1-CD2 4.23Å; I201-L204 HydrophobicContact CG2-CB 4.23Å; I201-L204 WeakPolarHBondContact O-CB 3.43Å; P202-L204 PolarHBondContact O-N 3.29Å; L204-H206 PolarHBondContact O-N 2.88Å; L204-V207 PolarHBondContact O-N 3.28Å; L204-V216 HydrophobicContact CD1-CB 3.94Å; L204-V216 HydrophobicContact CD1-CG1 3.63Å; L204-V216 HydrophobicContact CD1-CG2 3.8Å; L204-L219 HydrophobicContact CD1-CD1 4.38Å |
| 205 | E | 82.9 | Confident | 86.6 | Confident | 128 Ų | 128 | 89 Ų | 89 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.3 | -15.3 | 177.4 | 65.2 | -163.1 | -176.1 | 0 | 0 | 114.2 | R200 D203 | R200-E205 IonicContact CZ-OE2 3.62Å; R200-E205 IonicContact NE-OE2 3.71Å; R200-E205 VanDerWaalsContact NH2-CD 3.32Å; R200-E205 IonicContact NH2-OE1 3.12Å; R200-E205 PolarHBondContact NH2-OE1 2.79Å; R200-E205 VanDerWaalsContact NH2-OE1 3.12Å; R200-E205 IonicContact NH2-OE2 2.71Å; R200-E205 PolarHBondContact NH2-OE2 3.14Å; D203-E205 PolarHBondContact O-N 2.92Å |
| 206 | H | 84.2 | Confident | 86.7 | Confident | 140 Ų | 140 | 85.3 Ų | 85.3 | 65% | 0.648 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -94.3 | -4.5 | 178.3 | -54.2 | 112.7 | 0 | 0 | 0 | 113 | D203 L204 | D203-H206 PolarHBondContact O-N 3.48Å; D203-H206 VanDerWaalsContact O-N 3.09Å; D203-H206 IonicContact OD1-ND1 3.09Å; L204-H206 PolarHBondContact O-N 2.88Å |
| 207 | V | 84.6 | Confident | 86.8 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -98.1 | 124.2 | -178.6 | -176 | 0 | 0 | 0 | 0 | 109.7 | L204 E209 V216 L219 | L204-V207 PolarHBondContact O-N 3.28Å; V207-E209 PolarHBondContact O-N 3.06Å; V207-V216 HydrophobicContact CB-CG2 4.27Å; V207-V216 HydrophobicContact CG1-CG2 3.77Å; V207-L219 HydrophobicContact CG2-CD1 3.66Å |
| 208 | D | 82.5 | Confident | 87.1 | Confident | 98 Ų | 98 | 83 Ų | 83 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | trans | -78.7 | 100.8 | 167.3 | -177.9 | 4.3 | 0 | 0 | 0 | 109.3 | K210 A211 D212 | D208-K210 PolarHBondContact O-N 2.98Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.23Å; D208-K210 PolarHBondContact OD1-N 2.98Å; D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 PolarHBondContact O-N 3.34Å; D208-D212 PolarHBondContact O-N 3.46Å | ||
| 209 | E | 80.9 | Confident | 87.3 | Confident | 133 Ų | 133 | 77.9 Ų | 77.9 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.1 | 178.3 | -174.2 | -179.1 | 179.4 | 0 | 0 | 112.7 | V207 A211 K213 V216 | V207-E209 PolarHBondContact O-N 3.06Å; E209-A211 VanDerWaalsContact C-N 3.34Å; E209-K213 PolarHBondContact O-N 3.47Å; E209-V216 HydrophobicContact CB-CG2 4.21Å; E209-V216 HydrophobicContact CG-CG2 4.28Å |
| 210 | K | 78.3 | Confident | 87.6 | Confident | 203 Ų | 203 | 76.3 Ų | 76.3 | 88% | 0.883 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -27.3 | 179.3 | -63.1 | -178.4 | 179.7 | 177.8 | 0 | 112.5 | D208 | D208-K210 PolarHBondContact O-N 2.98Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.23Å; D208-K210 PolarHBondContact OD1-N 2.98Å |
| 211 | A | 78.5 | Confident | 88 | Confident | 81 Ų | 81 | 68 Ų | 68 | 67% | 0.669 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D208 E209 | D208-A211 HydrophobicContact CB-CB 3.99Å; D208-A211 PolarHBondContact O-N 3.34Å; E209-A211 VanDerWaalsContact C-N 3.34Å |
| 212 | D | 85 | Confident | 88.2 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | trans | -147.3 | 79.9 | -178.3 | -173.7 | 0.2 | 0 | 0 | 0 | 112.4 | D208 F214 S215 | D208-D212 PolarHBondContact O-N 3.46Å; D212-F214 PolarHBondContact O-N 3.18Å; D212-F214 PolarHBondContact OD1-N 3.12Å; D212-S215 VanDerWaalsContact CG-OG 3.28Å; D212-S215 PolarHBondContact O-N 2.92Å; D212-S215 PolarHBondContact OD1-N 3.26Å; D212-S215 VanDerWaalsContact OD2-CB 3.23Å; D212-S215 WeakPolarHBondContact OD2-CB 3.47Å; D212-S215 PolarHBondContact OD2-OG 3.26Å | ||
| 213 | K | 90.1 | Very high | 88.5 | Confident | 67 Ų | 67 | 72 Ų | 72 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -27 | 175.7 | 73 | 171.4 | -171.3 | 167 | 0 | 113.4 | E209 V216 H217 E262 | E209-K213 PolarHBondContact O-N 3.47Å; K213-V216 WeakPolarHBondContact O-CB 3.38Å; K213-V216 PolarHBondContact O-N 2.79Å; K213-H217 PolarHBondContact O-CD2 3.37Å; K213-H217 PolarHBondContact O-N 2.91Å; K213-E262 IonicContact NZ-OE2 2.92Å; K213-E262 PolarHBondContact NZ-OE2 3.46Å |
| 214 | F | 92.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -78.9 | -27.7 | -175.8 | -66.3 | -74.6 | 0 | 0 | 0 | 112.5 | D212 V216 H217 R218 T271 L272 G275 L276 A279 | D212-F214 PolarHBondContact O-N 3.18Å; D212-F214 PolarHBondContact OD1-N 3.12Å; F214-V216 VanDerWaalsContact C-N 3.28Å; F214-V216 PolarHBondContact O-N 2.95Å; F214-H217 PolarHBondContact O-N 3.08Å; F214-R218 WeakPolarHBondContact O-CB 3.13Å; F214-R218 PolarHBondContact O-N 2.81Å; F214-T271 HydrophobicContact CE2-CG2 4.45Å; F214-T271 HydrophobicContact CZ-CG2 4.41Å; F214-T271 WeakPolarHBondContact CZ-O 3.34Å; F214-L272 HydrophobicContact CE1-CD1 3.84Å; F214-G275 VanDerWaalsContact CD2-CA 3.41Å; F214-G275 VanDerWaalsContact CE2-CA 3.49Å; F214-L276 HydrophobicContact CD1-CD2 4.43Å; F214-A279 HydrophobicContact CB-CB 3.99Å |
| 215 | S | 91.4 | Very high | 89.2 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 166.9 | -82.4 | 0 | 0 | 0 | 0 | 112.8 | D212 R218 L219 | D212-S215 VanDerWaalsContact CG-OG 3.28Å; D212-S215 PolarHBondContact O-N 2.92Å; D212-S215 PolarHBondContact OD1-N 3.26Å; D212-S215 VanDerWaalsContact OD2-CB 3.23Å; D212-S215 WeakPolarHBondContact OD2-CB 3.47Å; D212-S215 PolarHBondContact OD2-OG 3.26Å; S215-R218 WeakPolarHBondContact O-CB 3.35Å; S215-R218 PolarHBondContact O-N 2.88Å; S215-L219 WeakPolarHBondContact O-CG 3.44Å; S215-L219 PolarHBondContact O-N 2.88Å |
| 216 | V | 92 | Very high | 89.7 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -52.4 | 173.6 | 169 | 0 | 0 | 0 | 0 | 110.8 | L204 V207 E209 K213 F214 R218 L219 I220 | L204-V216 HydrophobicContact CD1-CB 3.94Å; L204-V216 HydrophobicContact CD1-CG1 3.63Å; L204-V216 HydrophobicContact CD1-CG2 3.8Å; V207-V216 HydrophobicContact CB-CG2 4.27Å; V207-V216 HydrophobicContact CG1-CG2 3.77Å; E209-V216 HydrophobicContact CB-CG2 4.21Å; E209-V216 HydrophobicContact CG-CG2 4.28Å; K213-V216 WeakPolarHBondContact O-CB 3.38Å; K213-V216 PolarHBondContact O-N 2.79Å; F214-V216 VanDerWaalsContact C-N 3.28Å; F214-V216 PolarHBondContact O-N 2.95Å; V216-R218 PolarHBondContact O-N 3.36Å; V216-L219 PolarHBondContact O-N 2.97Å; V216-I220 HydrophobicContact CG1-CD1 3.72Å; V216-I220 WeakPolarHBondContact O-CG1 3.3Å; V216-I220 PolarHBondContact O-N 2.73Å |
| 217 | H | 94.4 | Very high | 90 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 177.7 | -63.1 | -56.9 | 0 | 0 | 0 | 112.1 | K213 F214 I220 F221 Y254 | K213-H217 PolarHBondContact O-CD2 3.37Å; K213-H217 PolarHBondContact O-N 2.91Å; F214-H217 PolarHBondContact O-N 3.08Å; H217-I220 PolarHBondContact O-N 2.81Å; H217-F221 WeakPolarHBondContact O-CB 3.46Å; H217-F221 PolarHBondContact O-N 2.97Å; H217-Y254 HydrophobicContact CB-CE1 4.39Å; H217-Y254 AromaticContact ND1-CE1 3.89Å; H217-Y254 AromaticContact ND1-CZ 3.83Å; H217-Y254 PolarHBondContact ND1-OH 2.91Å |
| 218 | R | 94.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 55 Ų | 55 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 177.7 | -173.2 | -175.3 | 177.3 | -87.2 | -4 | 112.4 | F214 S215 V216 F221 I222 A279 L281 | F214-R218 WeakPolarHBondContact O-CB 3.13Å; F214-R218 PolarHBondContact O-N 2.81Å; S215-R218 WeakPolarHBondContact O-CB 3.35Å; S215-R218 PolarHBondContact O-N 2.88Å; V216-R218 PolarHBondContact O-N 3.36Å; R218-F221 PolarHBondContact O-N 2.74Å; R218-I222 HydrophobicContact CG-CD1 3.85Å; R218-I222 WeakPolarHBondContact O-CG1 3.2Å; R218-I222 PolarHBondContact O-N 2.73Å; R218-A279 HydrophobicContact CB-CB 4.38Å; R218-A279 WeakPolarHBondContact CD-O 3.47Å; R218-A279 PolarHBondContact NE-O 2.65Å; R218-L281 HydrophobicContact CB-CD1 3.94Å; R218-L281 HydrophobicContact CB-CD2 4.36Å; R218-L281 HydrophobicContact CB-CG 4.35Å; R218-L281 HydrophobicContact CG-CD1 4.44Å; R218-L281 HydrophobicContact CG-CD2 4.09Å; R218-L281 HydrophobicContact CG-CG 4.31Å |
| 219 | L | 94.3 | Very high | 90.6 | Very high | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 179.3 | -70.6 | 175.1 | 0 | 0 | 0 | 111.3 | I201 D203 L204 V207 S215 V216 F221 Y223 | I201-L219 HydrophobicContact CG2-CB 4.16Å; D203-L219 HydrophobicContact CB-CD1 4.38Å; L204-L219 HydrophobicContact CD1-CD1 4.38Å; V207-L219 HydrophobicContact CG2-CD1 3.66Å; S215-L219 WeakPolarHBondContact O-CG 3.44Å; S215-L219 PolarHBondContact O-N 2.88Å; V216-L219 PolarHBondContact O-N 2.97Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.31Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.34Å; L219-Y223 PolarHBondContact O-N 2.97Å |
| 220 | I | 94.9 | Very high | 91 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.6 | -66.6 | 165.7 | 0 | 0 | 0 | 110.6 | V194 I201 V216 H217 G224 Y254 | V194-I220 HydrophobicContact CG1-CD1 4.19Å; V194-I220 HydrophobicContact CG1-CG1 4.41Å; V194-I220 HydrophobicContact CG1-CG2 4.07Å; V194-I220 HydrophobicContact CG2-CG2 4.5Å; I201-I220 HydrophobicContact CG1-CG1 4.15Å; V216-I220 HydrophobicContact CG1-CD1 3.72Å; V216-I220 WeakPolarHBondContact O-CG1 3.3Å; V216-I220 PolarHBondContact O-N 2.73Å; H217-I220 PolarHBondContact O-N 2.81Å; I220-G224 WeakPolarHBondContact O-CA 3.39Å; I220-G224 PolarHBondContact O-N 2.82Å; I220-Y254 HydrophobicContact CG2-CD2 4.45Å; I220-Y254 HydrophobicContact CG2-CE2 3.6Å |
| 221 | F | 95.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -49.8 | -177.3 | -172.4 | -91.1 | 0 | 0 | 0 | 112 | H217 R218 L219 G224 V225 R247 F250 A251 L281 A283 L284 | H217-F221 WeakPolarHBondContact O-CB 3.46Å; H217-F221 PolarHBondContact O-N 2.97Å; R218-F221 PolarHBondContact O-N 2.74Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-F221 PolarHBondContact O-N 3.31Å; F221-G224 PolarHBondContact O-N 3.03Å; F221-V225 HydrophobicContact CD1-CG2 4.25Å; F221-V225 HydrophobicContact CE1-CG2 3.88Å; F221-V225 HydrophobicContact CE2-CG2 4.37Å; F221-V225 HydrophobicContact CZ-CG2 3.94Å; F221-V225 WeakPolarHBondContact O-CG2 3.4Å; F221-V225 PolarHBondContact O-N 2.7Å; F221-R247 HydrophobicContact CE1-CG 4.39Å; F221-R247 HydrophobicContact CZ-CG 4.18Å; F221-F250 AromaticContact CD2-CD1 3.65Å; F221-F250 HydrophobicContact CD2-CD1 3.65Å; F221-F250 HydrophobicContact CD2-CE1 4.01Å; F221-F250 HydrophobicContact CE2-CB 4.47Å; F221-F250 AromaticContact CE2-CD1 3.71Å; F221-F250 HydrophobicContact CE2-CD1 3.71Å; F221-F250 HydrophobicContact CE2-CG 4.49Å; F221-A251 HydrophobicContact CE2-CB 3.92Å; F221-A251 HydrophobicContact CZ-CB 4.12Å; F221-L281 HydrophobicContact CB-CD2 4.13Å; F221-L281 HydrophobicContact CD1-CD2 3.84Å; F221-L281 HydrophobicContact CG-CD2 4.11Å; F221-A283 HydrophobicContact CE1-CB 4.43Å; F221-A283 HydrophobicContact CZ-CB 3.89Å; F221-L284 HydrophobicContact CB-CD1 4.46Å; F221-L284 HydrophobicContact CD2-CD1 3.68Å; F221-L284 HydrophobicContact CD2-CD2 4.18Å; F221-L284 HydrophobicContact CD2-CG 3.88Å; F221-L284 HydrophobicContact CE2-CD1 4.18Å; F221-L284 HydrophobicContact CE2-CD2 4.06Å; F221-L284 HydrophobicContact CE2-CG 3.85Å; F221-L284 HydrophobicContact CG-CD1 4.13Å |
| 222 | I | 94.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -48.8 | -179.5 | -68.3 | 170.8 | 0 | 0 | 0 | 110.5 | R218 G224 D226 | R218-I222 HydrophobicContact CG-CD1 3.85Å; R218-I222 WeakPolarHBondContact O-CG1 3.2Å; R218-I222 PolarHBondContact O-N 2.73Å; I222-G224 VanDerWaalsContact C-N 3.34Å; I222-G224 PolarHBondContact O-N 3.09Å; I222-D226 WeakPolarHBondContact O-CB 3.43Å; I222-D226 PolarHBondContact O-N 3.25Å; I222-D226 VanDerWaalsContact O-N 3.16Å |
| 223 | Y | 94.9 | Very high | 91.1 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.6 | -37 | -179 | -179.2 | -97 | 0 | 0 | 0 | 112.2 | F190 I199 I201 P202 L219 S227 | F190-Y223 HydrophobicContact CE2-CD1 4.06Å; F190-Y223 AromaticContact CE2-CE1 4Å; F190-Y223 HydrophobicContact CE2-CE1 4Å; F190-Y223 AromaticContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CD1 3.77Å; F190-Y223 HydrophobicContact CZ-CE1 4.13Å; I199-Y223 HydrophobicContact CG2-CE1 3.87Å; I201-Y223 HydrophobicContact CD1-CD1 3.37Å; I201-Y223 HydrophobicContact CD1-CE1 3.9Å; I201-Y223 HydrophobicContact CD1-CG 4.21Å; P202-Y223 VanDerWaalsContact CD-CD2 3.45Å; P202-Y223 HydrophobicContact CG-CD2 3.78Å; P202-Y223 HydrophobicContact CG-CE2 3.71Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.34Å; L219-Y223 PolarHBondContact O-N 2.97Å; Y223-S227 WeakPolarHBondContact CE1-OG 3.39Å; Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.33Å; Y223-S227 PolarHBondContact O-N 2.83Å; Y223-S227 PolarHBondContact O-OG 2.6Å |
| 224 | G | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I220 F221 I222 D226 S227 V228 | I220-G224 WeakPolarHBondContact O-CA 3.39Å; I220-G224 PolarHBondContact O-N 2.82Å; F221-G224 PolarHBondContact O-N 3.03Å; I222-G224 VanDerWaalsContact C-N 3.34Å; I222-G224 PolarHBondContact O-N 3.09Å; G224-D226 PolarHBondContact O-N 3.12Å; G224-S227 PolarHBondContact O-N 2.62Å; G224-V228 WeakPolarHBondContact O-CB 3.37Å; G224-V228 VanDerWaalsContact O-CG2 3.3Å; G224-V228 WeakPolarHBondContact O-CG2 3.33Å; G224-V228 PolarHBondContact O-N 3.07Å |
| 225 | V | 93.6 | Very high | 88.1 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | F221 S229 V246 R247 F250 | F221-V225 HydrophobicContact CD1-CG2 4.25Å; F221-V225 HydrophobicContact CE1-CG2 3.88Å; F221-V225 HydrophobicContact CE2-CG2 4.37Å; F221-V225 HydrophobicContact CZ-CG2 3.94Å; F221-V225 WeakPolarHBondContact O-CG2 3.4Å; F221-V225 PolarHBondContact O-N 2.7Å; V225-S229 VanDerWaalsContact O-CB 3.23Å; V225-S229 WeakPolarHBondContact O-CB 3.05Å; V225-S229 PolarHBondContact O-N 2.75Å; V225-S229 PolarHBondContact O-OG 3.09Å; V225-V246 HydrophobicContact CG1-CG1 4.39Å; V225-R247 HydrophobicContact CG1-CB 4.25Å; V225-F250 HydrophobicContact CG2-CB 3.9Å; V225-F250 HydrophobicContact CG2-CD1 4.28Å; V225-F250 HydrophobicContact CG2-CD2 4.31Å; V225-F250 HydrophobicContact CG2-CG 3.91Å |
| 226 | D | 92.1 | Very high | 86.2 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.1 | 174.1 | 50.4 | 0 | 0 | 0 | 112.5 | I222 G224 S229 R230 | I222-D226 WeakPolarHBondContact O-CB 3.43Å; I222-D226 PolarHBondContact O-N 3.25Å; I222-D226 VanDerWaalsContact O-N 3.16Å; G224-D226 PolarHBondContact O-N 3.12Å; D226-S229 PolarHBondContact O-N 3.32Å; D226-R230 PolarHBondContact O-N 3.06Å; D226-R230 IonicContact OD1-CZ 3.6Å; D226-R230 IonicContact OD1-NH1 3.03Å; D226-R230 PolarHBondContact OD1-NH1 3.5Å; D226-R230 IonicContact OD1-NH2 3.99Å; D226-R230 IonicContact OD2-CZ 3.04Å; D226-R230 IonicContact OD2-NH1 2.66Å; D226-R230 PolarHBondContact OD2-NH1 3.05Å; D226-R230 IonicContact OD2-NH2 2.76Å; D226-R230 PolarHBondContact OD2-NH2 2.84Å |
| 227 | S | 91.4 | Very high | 84.3 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 179.7 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | Y223 G224 R230 E231 | Y223-S227 WeakPolarHBondContact CE1-OG 3.39Å; Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.33Å; Y223-S227 PolarHBondContact O-N 2.83Å; Y223-S227 PolarHBondContact O-OG 2.6Å; G224-S227 PolarHBondContact O-N 2.62Å; S227-R230 PolarHBondContact O-N 2.91Å; S227-E231 PolarHBondContact O-N 3.03Å; S227-E231 VanDerWaalsContact O-N 3.16Å |
| 228 | V | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 177.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | A186 V187 F190 G224 R230 E231 I232 V246 F250 | A186-V228 HydrophobicContact CB-CG1 3.92Å; V187-V228 HydrophobicContact CG2-CG1 3.91Å; V187-V228 HydrophobicContact CG2-CG2 4.46Å; F190-V228 HydrophobicContact CB-CG2 3.91Å; F190-V228 HydrophobicContact CD2-CG2 4.37Å; F190-V228 HydrophobicContact CG-CG2 4.16Å; G224-V228 WeakPolarHBondContact O-CB 3.37Å; G224-V228 VanDerWaalsContact O-CG2 3.3Å; G224-V228 WeakPolarHBondContact O-CG2 3.33Å; G224-V228 PolarHBondContact O-N 3.07Å; V228-R230 VanDerWaalsContact C-N 3.35Å; V228-R230 PolarHBondContact O-N 2.89Å; V228-E231 PolarHBondContact O-N 3.36Å; V228-I232 HydrophobicContact CG1-CD1 3.6Å; V228-I232 HydrophobicContact CG1-CG1 4.39Å; V228-I232 VanDerWaalsContact O-CG1 3.25Å; V228-I232 WeakPolarHBondContact O-CG1 3.41Å; V228-I232 PolarHBondContact O-N 3.29Å; V228-V246 HydrophobicContact CB-CG1 3.97Å; V228-V246 HydrophobicContact CG1-CG1 3.72Å; V228-V246 HydrophobicContact CG1-CG2 4.34Å; V228-F250 HydrophobicContact CG2-CD2 4.44Å; V228-F250 HydrophobicContact CG2-CE2 4.38Å |
| 229 | S | 89.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | V225 D226 E231 I232 S233 | V225-S229 VanDerWaalsContact O-CB 3.23Å; V225-S229 WeakPolarHBondContact O-CB 3.05Å; V225-S229 PolarHBondContact O-N 2.75Å; V225-S229 PolarHBondContact O-OG 3.09Å; D226-S229 PolarHBondContact O-N 3.32Å; S229-E231 VanDerWaalsContact C-N 3.34Å; S229-E231 PolarHBondContact O-N 3.35Å; S229-I232 PolarHBondContact O-N 3.2Å; S229-I232 VanDerWaalsContact O-N 3.15Å; S229-S233 WeakPolarHBondContact O-CB 3.45Å; S229-S233 PolarHBondContact O-N 3.18Å; S229-S233 PolarHBondContact O-OG 2.83Å |
| 230 | R | 87.7 | Confident | 80 | Confident | 140 Ų | 140 | 76.7 Ų | 76.7 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 173.9 | -76.9 | -167 | -67.2 | -103.2 | -8.3 | 113.9 | D226 S227 V228 I232 | D226-R230 PolarHBondContact O-N 3.06Å; D226-R230 IonicContact OD1-CZ 3.6Å; D226-R230 IonicContact OD1-NH1 3.03Å; D226-R230 PolarHBondContact OD1-NH1 3.5Å; D226-R230 IonicContact OD1-NH2 3.99Å; D226-R230 IonicContact OD2-CZ 3.04Å; D226-R230 IonicContact OD2-NH1 2.66Å; D226-R230 PolarHBondContact OD2-NH1 3.05Å; D226-R230 IonicContact OD2-NH2 2.76Å; D226-R230 PolarHBondContact OD2-NH2 2.84Å; S227-R230 PolarHBondContact O-N 2.91Å; V228-R230 VanDerWaalsContact C-N 3.35Å; V228-R230 PolarHBondContact O-N 2.89Å; R230-I232 PolarHBondContact O-N 3.4Å |
| 231 | E | 86.4 | Confident | 78.9 | Confident | 98 Ų | 98 | 82 Ų | 82 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.2 | -22.2 | 177 | -176.8 | 176.8 | 172.6 | 0 | 0 | 112.6 | R182 S227 V228 S229 | R182-E231 PolarHBondContact NH2-O 2.78Å; S227-E231 PolarHBondContact O-N 3.03Å; S227-E231 VanDerWaalsContact O-N 3.16Å; V228-E231 PolarHBondContact O-N 3.36Å; S229-E231 VanDerWaalsContact C-N 3.34Å; S229-E231 PolarHBondContact O-N 3.35Å |
| 232 | I | 83.5 | Confident | 78 | Confident | 16 Ų | 16 | 82.4 Ų | 82.4 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -102.9 | -32.9 | -172.7 | -62.5 | 178.5 | 0 | 0 | 0 | 112.3 | I183 A186 V228 S229 R230 D234 V246 | I183-I232 HydrophobicContact CB-CD1 4.03Å; I183-I232 HydrophobicContact CG1-CD1 3.55Å; I183-I232 HydrophobicContact CG1-CG2 4.3Å; I183-I232 HydrophobicContact CG2-CD1 4.33Å; A186-I232 HydrophobicContact CB-CD1 4.14Å; V228-I232 HydrophobicContact CG1-CD1 3.6Å; V228-I232 HydrophobicContact CG1-CG1 4.39Å; V228-I232 VanDerWaalsContact O-CG1 3.25Å; V228-I232 WeakPolarHBondContact O-CG1 3.41Å; V228-I232 PolarHBondContact O-N 3.29Å; S229-I232 PolarHBondContact O-N 3.2Å; S229-I232 VanDerWaalsContact O-N 3.15Å; R230-I232 PolarHBondContact O-N 3.4Å; I232-D234 PolarHBondContact O-N 3.44Å; I232-V246 HydrophobicContact CD1-CG2 4.05Å |
| 233 | S | 74.6 | Confident | 77.5 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | trans | -77.7 | 40.4 | -171.8 | -73.4 | 0 | 0 | 0 | 0 | 115.7 | S229 N235 | S229-S233 WeakPolarHBondContact O-CB 3.45Å; S229-S233 PolarHBondContact O-N 3.18Å; S229-S233 PolarHBondContact O-OG 2.83Å; S233-N235 PolarHBondContact O-N 3.16Å | ||
| 234 | D | 61.8 | Low | 77.1 | Confident | 116 Ų | 116 | 82.3 Ų | 82.3 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | trans | -65.6 | -3.3 | 175.2 | -65.2 | -45.5 | 0 | 0 | 0 | 114.4 | R182 I232 | R182-D234 IonicContact NH2-OD2 3.02Å; R182-D234 PolarHBondContact NH2-OD2 2.96Å; I232-D234 PolarHBondContact O-N 3.44Å | ||
| 235 | N | 56.8 | Low | 76.6 | Confident | 142 Ų | 142 | 84.9 Ų | 84.9 | 76% | 0.759 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -133.6 | 116.4 | 179.3 | -76.9 | -38.9 | 0 | 0 | 0 | 112.1 | S233 Q237 | S233-N235 PolarHBondContact O-N 3.16Å; N235-Q237 VanDerWaalsContact C-N 3.3Å; N235-Q237 PolarHBondContact O-N 3.27Å |
| 236 | E | 52.3 | Low | 76.4 | Confident | 192 Ų | 192 | 84.5 Ų | 84.5 | 90% | 0.897 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -1.5 | -164.5 | -66.6 | -178 | 153.5 | 0 | 0 | 117.3 | ||
| 237 | Q | 52.7 | Low | 76.4 | Confident | 194 Ų | 194 | 84.4 Ų | 84.4 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -1.1 | -171.2 | -75.5 | -179.4 | -12 | 0 | 0 | 116 | N235 | N235-Q237 VanDerWaalsContact C-N 3.3Å; N235-Q237 PolarHBondContact O-N 3.27Å |
| 238 | Q | 58 | Low | 76.3 | Confident | 149 Ų | 149 | 84.2 Ų | 84.2 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -133.9 | 21.8 | -176.6 | -78.4 | 172.7 | -23.7 | 0 | 0 | 114.6 | E240 C242 | Q238-E240 PolarHBondContact O-N 3.34Å; Q238-C242 VanDerWaalsContact O-CB 3.25Å; Q238-C242 WeakPolarHBondContact O-CB 3.35Å; Q238-C242 PolarHBondContact O-N 3Å |
| 239 | S | 65.9 | Low | 76.3 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | -166 | -165.3 | 0 | 0 | 0 | 0 | 114.6 | C242 E243 | S239-C242 PolarHBondContact O-N 3.35Å; S239-E243 WeakPolarHBondContact O-CB 3.46Å; S239-E243 PolarHBondContact O-N 2.84Å |
| 240 | E | 69.5 | Low | 76.4 | Confident | 163 Ų | 163 | 83.6 Ų | 83.6 | 76% | 0.762 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -73.8 | -41.5 | -172 | -170.1 | 174 | -169.4 | 0 | 0 | 112.8 | Q238 C242 E243 Q244 | Q238-E240 PolarHBondContact O-N 3.34Å; E240-C242 VanDerWaalsContact C-N 3.32Å; E240-C242 PolarHBondContact O-N 3.35Å; E240-E243 PolarHBondContact O-N 3.38Å; E240-Q244 PolarHBondContact O-N 3.32Å |
| 241 | I | 71.2 | Confident | 76.8 | Confident | 123 Ų | 123 | 77 Ų | 77 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 173.5 | -62.3 | 173.2 | 0 | 0 | 0 | 109.7 | Q244 L245 | I241-Q244 PolarHBondContact O-N 2.73Å; I241-L245 HydrophobicContact CG2-CD1 4.03Å; I241-L245 WeakPolarHBondContact O-CB 3.39Å; I241-L245 VanDerWaalsContact O-CG 3.24Å; I241-L245 WeakPolarHBondContact O-CG 3.29Å; I241-L245 PolarHBondContact O-N 2.85Å |
| 242 | C | 77.4 | Confident | 77.1 | Confident | 22 Ų | 22 | 74 Ų | 74 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | Q238 S239 E240 Q244 L245 V246 | Q238-C242 VanDerWaalsContact O-CB 3.25Å; Q238-C242 WeakPolarHBondContact O-CB 3.35Å; Q238-C242 PolarHBondContact O-N 3Å; S239-C242 PolarHBondContact O-N 3.35Å; E240-C242 VanDerWaalsContact C-N 3.32Å; E240-C242 PolarHBondContact O-N 3.35Å; C242-Q244 PolarHBondContact O-N 3.4Å; C242-L245 PolarHBondContact O-N 2.98Å; C242-V246 VanDerWaalsContact O-CG2 3.3Å; C242-V246 WeakPolarHBondContact O-CG2 3.22Å; C242-V246 PolarHBondContact O-N 2.88Å |
| 243 | E | 83.8 | Confident | 77.5 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 179 | -169 | -173.4 | 149.2 | 0 | 0 | 111.9 | S239 E240 V246 R247 | S239-E243 WeakPolarHBondContact O-CB 3.46Å; S239-E243 PolarHBondContact O-N 2.84Å; E240-E243 PolarHBondContact O-N 3.38Å; E243-V246 PolarHBondContact O-N 3.33Å; E243-R247 VanDerWaalsContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CB 3.02Å; E243-R247 PolarHBondContact O-N 3Å; E243-R247 IonicContact OE1-CZ 3.22Å; E243-R247 IonicContact OE1-NH1 2.75Å; E243-R247 IonicContact OE1-NH2 2.7Å; E243-R247 PolarHBondContact OE1-NH2 2.96Å |
| 244 | Q | 85.8 | Confident | 78.5 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 176.2 | -171.1 | 59 | 37.2 | 0 | 0 | 112 | E240 I241 C242 R247 N248 | E240-Q244 PolarHBondContact O-N 3.32Å; I241-Q244 PolarHBondContact O-N 2.73Å; C242-Q244 PolarHBondContact O-N 3.4Å; Q244-R247 PolarHBondContact O-N 2.77Å; Q244-N248 PolarHBondContact NE2-OD1 3.28Å; Q244-N248 WeakPolarHBondContact O-CB 3.42Å; Q244-N248 VanDerWaalsContact O-CG 3.25Å; Q244-N248 PolarHBondContact O-N 3.37Å; Q244-N248 PolarHBondContact O-OD1 3.47Å |
| 245 | L | 84.5 | Confident | 80.2 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 174.1 | -71.7 | 169.7 | 0 | 0 | 0 | 111.6 | A177 I183 I241 C242 N248 T249 | A177-L245 HydrophobicContact CB-CD2 4.25Å; I183-L245 HydrophobicContact CD1-CB 4.09Å; I241-L245 HydrophobicContact CG2-CD1 4.03Å; I241-L245 WeakPolarHBondContact O-CB 3.39Å; I241-L245 VanDerWaalsContact O-CG 3.24Å; I241-L245 WeakPolarHBondContact O-CG 3.29Å; I241-L245 PolarHBondContact O-N 2.85Å; C242-L245 PolarHBondContact O-N 2.98Å; L245-N248 PolarHBondContact O-N 3.21Å; L245-T249 WeakPolarHBondContact O-CB 3.22Å; L245-T249 PolarHBondContact O-N 2.98Å; L245-T249 PolarHBondContact O-OG1 3.4Å |
| 246 | V | 88.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 174.2 | 171 | 0 | 0 | 0 | 0 | 110 | I183 V225 V228 I232 C242 E243 N248 T249 F250 | I183-V246 HydrophobicContact CD1-CG2 4.31Å; I183-V246 HydrophobicContact CG1-CG2 4.22Å; I183-V246 HydrophobicContact CG2-CG2 3.97Å; V225-V246 HydrophobicContact CG1-CG1 4.39Å; V228-V246 HydrophobicContact CB-CG1 3.97Å; V228-V246 HydrophobicContact CG1-CG1 3.72Å; V228-V246 HydrophobicContact CG1-CG2 4.34Å; I232-V246 HydrophobicContact CD1-CG2 4.05Å; C242-V246 VanDerWaalsContact O-CG2 3.3Å; C242-V246 WeakPolarHBondContact O-CG2 3.22Å; C242-V246 PolarHBondContact O-N 2.88Å; E243-V246 PolarHBondContact O-N 3.33Å; V246-N248 PolarHBondContact O-N 3.07Å; V246-T249 PolarHBondContact O-N 3.43Å; V246-F250 WeakPolarHBondContact O-CB 3.36Å; V246-F250 PolarHBondContact O-N 3.36Å |
| 247 | R | 91.3 | Very high | 83.8 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 179.6 | -178.6 | -178.2 | -69 | 112.9 | 6.5 | 112.3 | F221 V225 E243 Q244 F250 A251 A283 | F221-R247 HydrophobicContact CE1-CG 4.39Å; F221-R247 HydrophobicContact CZ-CG 4.18Å; V225-R247 HydrophobicContact CG1-CB 4.25Å; E243-R247 VanDerWaalsContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CB 3.02Å; E243-R247 PolarHBondContact O-N 3Å; E243-R247 IonicContact OE1-CZ 3.22Å; E243-R247 IonicContact OE1-NH1 2.75Å; E243-R247 IonicContact OE1-NH2 2.7Å; E243-R247 PolarHBondContact OE1-NH2 2.96Å; Q244-R247 PolarHBondContact O-N 2.77Å; R247-F250 PolarHBondContact O-N 2.82Å; R247-A251 WeakPolarHBondContact O-CB 3.32Å; R247-A251 PolarHBondContact O-N 3.17Å; R247-A283 HydrophobicContact CG-CB 4.11Å |
| 248 | N | 90.1 | Very high | 85.7 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | 177.9 | -69.9 | -5.5 | 0 | 0 | 0 | 111.2 | Q244 L245 V246 F250 A251 H252 | Q244-N248 PolarHBondContact NE2-OD1 3.28Å; Q244-N248 WeakPolarHBondContact O-CB 3.42Å; Q244-N248 VanDerWaalsContact O-CG 3.25Å; Q244-N248 PolarHBondContact O-N 3.37Å; Q244-N248 PolarHBondContact O-OD1 3.47Å; L245-N248 PolarHBondContact O-N 3.21Å; V246-N248 PolarHBondContact O-N 3.07Å; N248-F250 VanDerWaalsContact C-N 3.33Å; N248-F250 PolarHBondContact O-N 3.29Å; N248-A251 PolarHBondContact O-N 3.39Å; N248-H252 PolarHBondContact O-N 3.47Å |
| 249 | T | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 178 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | A177 I183 V187 L245 V246 H252 I253 | A177-T249 VanDerWaalsContact CB-OG1 3.29Å; A177-T249 WeakPolarHBondContact CB-OG1 3.48Å; I183-T249 HydrophobicContact CG2-CG2 4Å; V187-T249 HydrophobicContact CB-CG2 4.45Å; V187-T249 HydrophobicContact CG2-CG2 4.15Å; L245-T249 WeakPolarHBondContact O-CB 3.22Å; L245-T249 PolarHBondContact O-N 2.98Å; L245-T249 PolarHBondContact O-OG1 3.4Å; V246-T249 PolarHBondContact O-N 3.43Å; T249-H252 PolarHBondContact O-N 3.25Å; T249-I253 HydrophobicContact CG2-CD1 3.79Å; T249-I253 WeakPolarHBondContact O-CG1 3.47Å; T249-I253 PolarHBondContact O-N 2.96Å |
| 250 | F | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -46 | 177.5 | -158.8 | -70.7 | 0 | 0 | 0 | 111.4 | V187 F190 V191 F221 V225 V228 V246 R247 N248 H252 Y254 | V187-F250 HydrophobicContact CB-CD2 4.48Å; V187-F250 HydrophobicContact CG1-CB 4.2Å; V187-F250 HydrophobicContact CG1-CD2 3.84Å; V187-F250 HydrophobicContact CG1-CE2 4.45Å; V187-F250 HydrophobicContact CG1-CG 4.13Å; V187-F250 HydrophobicContact CG2-CB 4.39Å; V187-F250 HydrophobicContact CG2-CD2 4.12Å; F190-F250 AromaticContact CD1-CE2 3.47Å; F190-F250 HydrophobicContact CD1-CE2 3.47Å; F190-F250 VanDerWaalsContact CD1-CE2 3.47Å; F190-F250 AromaticContact CD1-CZ 3.54Å; F190-F250 HydrophobicContact CD1-CZ 3.54Å; F190-F250 AromaticContact CE1-CE2 3.96Å; F190-F250 HydrophobicContact CE1-CE2 3.96Å; F190-F250 AromaticContact CE1-CZ 3.7Å; F190-F250 HydrophobicContact CE1-CZ 3.7Å; F190-F250 HydrophobicContact CG-CE2 4.15Å; V191-F250 HydrophobicContact CG2-CE1 4.49Å; V191-F250 HydrophobicContact CG2-CE2 4.45Å; V191-F250 HydrophobicContact CG2-CZ 4.14Å; F221-F250 AromaticContact CD2-CD1 3.65Å; F221-F250 HydrophobicContact CD2-CD1 3.65Å; F221-F250 HydrophobicContact CD2-CE1 4.01Å; F221-F250 HydrophobicContact CE2-CB 4.47Å; F221-F250 AromaticContact CE2-CD1 3.71Å; F221-F250 HydrophobicContact CE2-CD1 3.71Å; F221-F250 HydrophobicContact CE2-CG 4.49Å; V225-F250 HydrophobicContact CG2-CB 3.9Å; V225-F250 HydrophobicContact CG2-CD1 4.28Å; V225-F250 HydrophobicContact CG2-CD2 4.31Å; V225-F250 HydrophobicContact CG2-CG 3.91Å; V228-F250 HydrophobicContact CG2-CD2 4.44Å; V228-F250 HydrophobicContact CG2-CE2 4.38Å; V246-F250 WeakPolarHBondContact O-CB 3.36Å; V246-F250 PolarHBondContact O-N 3.36Å; R247-F250 PolarHBondContact O-N 2.82Å; N248-F250 VanDerWaalsContact C-N 3.33Å; N248-F250 PolarHBondContact O-N 3.29Å; F250-H252 VanDerWaalsContact C-N 3.31Å; F250-H252 PolarHBondContact O-N 3.48Å; F250-Y254 AromaticContact CE1-CD2 3.97Å; F250-Y254 HydrophobicContact CE1-CD2 3.97Å; F250-Y254 HydrophobicContact CE1-CG 4.09Å; F250-Y254 WeakPolarHBondContact O-CB 3.39Å; F250-Y254 PolarHBondContact O-N 3.34Å |
| 251 | A | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F221 R247 N248 F255 A283 L284 E287 | F221-A251 HydrophobicContact CE2-CB 3.92Å; F221-A251 HydrophobicContact CZ-CB 4.12Å; R247-A251 WeakPolarHBondContact O-CB 3.32Å; R247-A251 PolarHBondContact O-N 3.17Å; N248-A251 PolarHBondContact O-N 3.39Å; A251-F255 WeakPolarHBondContact O-CB 3.35Å; A251-F255 PolarHBondContact O-N 3.28Å; A251-A283 HydrophobicContact CB-CB 3.84Å; A251-L284 HydrophobicContact CB-CD2 4.1Å; A251-L284 WeakPolarHBondContact O-CD2 3.38Å; A251-E287 HydrophobicContact CB-CG 3.94Å |
| 252 | H | 93.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.167 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -55.2 | -179.6 | -175.3 | 77.1 | 0 | 0 | 0 | 112.6 | V174 F178 N248 T249 F250 Y254 F255 E256 E287 | V174-H252 HydrophobicContact CG1-CB 3.52Å; V174-H252 HydrophobicContact CG2-CB 4.34Å; F178-H252 AromaticContact CE2-CD2 3.67Å; F178-H252 AromaticContact CE2-NE2 3.78Å; F178-H252 AromaticContact CZ-CD2 3.42Å; F178-H252 VanDerWaalsContact CZ-CD2 3.42Å; F178-H252 WeakPolarHBondContact CZ-CD2 3.44Å; F178-H252 AromaticContact CZ-NE2 3.77Å; N248-H252 PolarHBondContact O-N 3.47Å; T249-H252 PolarHBondContact O-N 3.25Å; F250-H252 VanDerWaalsContact C-N 3.31Å; F250-H252 PolarHBondContact O-N 3.48Å; H252-Y254 PolarHBondContact O-N 3.37Å; H252-F255 PolarHBondContact O-N 2.86Å; H252-E256 WeakPolarHBondContact O-CB 3.42Å; H252-E256 PolarHBondContact O-N 3.06Å; H252-E287 HydrophobicContact CB-CG 4.46Å; H252-E287 IonicContact CE1-OE2 3.95Å; H252-E287 IonicContact CG-OE2 2.68Å; H252-E287 IonicContact ND1-OE2 3.71Å; H252-E287 PolarHBondContact ND1-OE2 2.83Å |
| 253 | I | 93.2 | Very high | 91 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | -177.9 | -68 | 171.3 | 0 | 0 | 0 | 111 | F178 E184 V187 N188 V191 T249 E256 R257 | F178-I253 HydrophobicContact CE1-CD1 4.49Å; E184-I253 HydrophobicContact CG-CD1 4.19Å; V187-I253 HydrophobicContact CB-CD1 3.97Å; V187-I253 HydrophobicContact CG1-CB 3.91Å; V187-I253 HydrophobicContact CG1-CD1 3.61Å; V187-I253 HydrophobicContact CG1-CG1 4.3Å; V187-I253 HydrophobicContact CG1-CG2 4.12Å; N188-I253 WeakPolarHBondContact ND2-CD1 3.47Å; V191-I253 HydrophobicContact CG2-CG2 4.24Å; T249-I253 HydrophobicContact CG2-CD1 3.79Å; T249-I253 WeakPolarHBondContact O-CG1 3.47Å; T249-I253 PolarHBondContact O-N 2.96Å; I253-E256 PolarHBondContact O-N 2.82Å; I253-R257 HydrophobicContact CG2-CG 4.27Å; I253-R257 VanDerWaalsContact O-CB 3.3Å; I253-R257 WeakPolarHBondContact O-CB 3.46Å; I253-R257 VanDerWaalsContact O-CG 3.31Å; I253-R257 WeakPolarHBondContact O-CG 3.36Å; I253-R257 PolarHBondContact O-N 2.86Å |
| 254 | Y | 95.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 179.1 | -170.1 | -98.4 | 0 | 0 | 0 | 111.3 | V191 H217 I220 F250 H252 V258 L259 L284 | V191-Y254 HydrophobicContact CG2-CD2 4.25Å; H217-Y254 HydrophobicContact CB-CE1 4.39Å; H217-Y254 AromaticContact ND1-CE1 3.89Å; H217-Y254 AromaticContact ND1-CZ 3.83Å; H217-Y254 PolarHBondContact ND1-OH 2.91Å; I220-Y254 HydrophobicContact CG2-CD2 4.45Å; I220-Y254 HydrophobicContact CG2-CE2 3.6Å; F250-Y254 AromaticContact CE1-CD2 3.97Å; F250-Y254 HydrophobicContact CE1-CD2 3.97Å; F250-Y254 HydrophobicContact CE1-CG 4.09Å; F250-Y254 WeakPolarHBondContact O-CB 3.39Å; F250-Y254 PolarHBondContact O-N 3.34Å; H252-Y254 PolarHBondContact O-N 3.37Å; Y254-V258 HydrophobicContact CD2-CB 4.45Å; Y254-V258 HydrophobicContact CD2-CG2 3.87Å; Y254-V258 HydrophobicContact CE1-CB 4.38Å; Y254-V258 HydrophobicContact CE1-CG1 4.43Å; Y254-V258 HydrophobicContact CE2-CB 4.25Å; Y254-V258 HydrophobicContact CE2-CG1 4.4Å; Y254-V258 HydrophobicContact CE2-CG2 3.77Å; Y254-V258 HydrophobicContact CG-CG2 4.4Å; Y254-V258 WeakPolarHBondContact O-CA 3.16Å; Y254-V258 WeakPolarHBondContact O-CB 3.2Å; Y254-V258 PolarHBondContact O-N 2.79Å; Y254-L259 HydrophobicContact CD1-CD1 4.2Å; Y254-L259 HydrophobicContact CD1-CG 4.29Å; Y254-L259 HydrophobicContact CE1-CD1 4.26Å; Y254-L259 HydrophobicContact CE1-CD2 4.38Å; Y254-L259 HydrophobicContact CE1-CG 4.16Å; Y254-L259 PolarHBondContact O-N 3.19Å; Y254-L284 HydrophobicContact CD1-CD1 4.18Å; Y254-L284 HydrophobicContact CD1-CD2 3.99Å; Y254-L284 HydrophobicContact CE1-CD1 4.49Å |
| 255 | F | 95.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -59.8 | -53.2 | 174.4 | 174 | -96.1 | 0 | 0 | 0 | 111 | A251 H252 R257 L259 S260 I263 L272 L284 E287 V288 F291 | A251-F255 WeakPolarHBondContact O-CB 3.35Å; A251-F255 PolarHBondContact O-N 3.28Å; H252-F255 PolarHBondContact O-N 2.86Å; F255-R257 PolarHBondContact O-N 2.51Å; F255-L259 HydrophobicContact CD2-CB 3.85Å; F255-L259 HydrophobicContact CD2-CD1 4.29Å; F255-L259 HydrophobicContact CE2-CB 4.29Å; F255-L259 PolarHBondContact O-N 2.99Å; F255-S260 WeakPolarHBondContact O-CB 3.32Å; F255-S260 PolarHBondContact O-N 2.74Å; F255-I263 HydrophobicContact CE2-CD1 4.03Å; F255-I263 HydrophobicContact CZ-CD1 3.93Å; F255-L272 HydrophobicContact CE2-CD2 4.08Å; F255-L284 HydrophobicContact CB-CD2 4.19Å; F255-E287 HydrophobicContact CB-CB 3.88Å; F255-E287 HydrophobicContact CD1-CB 4.17Å; F255-E287 HydrophobicContact CD2-CB 4.45Å; F255-E287 HydrophobicContact CG-CB 3.89Å; F255-V288 HydrophobicContact CD2-CG2 3.85Å; F255-V288 HydrophobicContact CE2-CB 4.29Å; F255-V288 HydrophobicContact CE2-CG2 3.5Å; F255-V288 VanDerWaalsContact CE2-CG2 3.5Å; F255-V288 HydrophobicContact CZ-CG2 4.43Å; F255-F291 HydrophobicContact CE1-CB 3.58Å; F255-F291 HydrophobicContact CE1-CD2 4.08Å; F255-F291 AromaticContact CE1-CG 3.92Å; F255-F291 HydrophobicContact CE1-CG 3.92Å; F255-F291 HydrophobicContact CZ-CB 3.59Å; F255-F291 HydrophobicContact CZ-CD1 4.19Å; F255-F291 HydrophobicContact CZ-CD2 4.21Å; F255-F291 AromaticContact CZ-CG 3.74Å; F255-F291 HydrophobicContact CZ-CG 3.74Å |
| 256 | E | 92.8 | Very high | 91.5 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -60.3 | -45.6 | -176.9 | -168.5 | -168.6 | 173.8 | 0 | 0 | 111.9 | H252 I253 S260 | H252-E256 WeakPolarHBondContact O-CB 3.42Å; H252-E256 PolarHBondContact O-N 3.06Å; I253-E256 PolarHBondContact O-N 2.82Å; E256-S260 PolarHBondContact O-OG 3.41Å |
| 257 | R | 92.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 51 Ų | 51 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -84.9 | -27.4 | -172.2 | -62.3 | -172.6 | 67.3 | -176.5 | -4.9 | 114.2 | N188 V191 D192 I253 F255 R261 | N188-R257 PolarHBondContact OD1-NH1 3.24Å; V191-R257 HydrophobicContact CG1-CB 4.49Å; D192-R257 VanDerWaalsContact CG-NH1 3.3Å; D192-R257 IonicContact OD1-CZ 2.86Å; D192-R257 IonicContact OD1-NH1 3.89Å; D192-R257 PolarHBondContact OD1-NH1 2.85Å; D192-R257 IonicContact OD1-NH2 3.75Å; D192-R257 PolarHBondContact OD1-NH2 3.14Å; D192-R257 IonicContact OD2-CZ 3.07Å; D192-R257 IonicContact OD2-NH1 3.22Å; D192-R257 PolarHBondContact OD2-NH1 3.35Å; D192-R257 IonicContact OD2-NH2 2.62Å; I253-R257 HydrophobicContact CG2-CG 4.27Å; I253-R257 VanDerWaalsContact O-CB 3.3Å; I253-R257 WeakPolarHBondContact O-CB 3.46Å; I253-R257 VanDerWaalsContact O-CG 3.31Å; I253-R257 WeakPolarHBondContact O-CG 3.36Å; I253-R257 PolarHBondContact O-N 2.86Å; F255-R257 PolarHBondContact O-N 2.51Å; R257-R261 WeakPolarHBondContact O-CD 3.06Å; R257-R261 PolarHBondContact O-NE 3.04Å |
| 258 | V | 93.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -112.5 | -62.9 | -173.9 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | V191 I195 Y254 | V191-V258 HydrophobicContact CG1-CG2 4.35Å; I195-V258 HydrophobicContact CD1-CG2 4.22Å; Y254-V258 HydrophobicContact CD2-CB 4.45Å; Y254-V258 HydrophobicContact CD2-CG2 3.87Å; Y254-V258 HydrophobicContact CE1-CB 4.38Å; Y254-V258 HydrophobicContact CE1-CG1 4.43Å; Y254-V258 HydrophobicContact CE2-CB 4.25Å; Y254-V258 HydrophobicContact CE2-CG1 4.4Å; Y254-V258 HydrophobicContact CE2-CG2 3.77Å; Y254-V258 HydrophobicContact CG-CG2 4.4Å; Y254-V258 WeakPolarHBondContact O-CA 3.16Å; Y254-V258 WeakPolarHBondContact O-CB 3.2Å; Y254-V258 PolarHBondContact O-N 2.79Å |
| 259 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -79.6 | -36.7 | -167.1 | -59.7 | 176.9 | 0 | 0 | 0 | 114.1 | Y254 F255 R261 E262 L272 L276 L284 | Y254-L259 HydrophobicContact CD1-CD1 4.2Å; Y254-L259 HydrophobicContact CD1-CG 4.29Å; Y254-L259 HydrophobicContact CE1-CD1 4.26Å; Y254-L259 HydrophobicContact CE1-CD2 4.38Å; Y254-L259 HydrophobicContact CE1-CG 4.16Å; Y254-L259 PolarHBondContact O-N 3.19Å; F255-L259 HydrophobicContact CD2-CB 3.85Å; F255-L259 HydrophobicContact CD2-CD1 4.29Å; F255-L259 HydrophobicContact CE2-CB 4.29Å; F255-L259 PolarHBondContact O-N 2.99Å; L259-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact O-N 3.15Å; L259-E262 WeakPolarHBondContact O-CB 3.41Å; L259-E262 PolarHBondContact O-N 2.72Å; L259-L272 HydrophobicContact CB-CD1 4.42Å; L259-L272 HydrophobicContact CB-CD2 4.46Å; L259-L272 HydrophobicContact CD1-CD1 4.36Å; L259-L272 HydrophobicContact CD2-CD1 4.3Å; L259-L276 HydrophobicContact CD1-CD2 4.36Å; L259-L284 HydrophobicContact CD1-CD1 4.09Å; L259-L284 HydrophobicContact CD1-CD2 4.05Å; L259-L284 HydrophobicContact CD1-CG 4.47Å |
| 260 | S | 92.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.4 | -28.8 | -174.4 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | F255 E256 E262 I263 | F255-S260 WeakPolarHBondContact O-CB 3.32Å; F255-S260 PolarHBondContact O-N 2.74Å; E256-S260 PolarHBondContact O-OG 3.41Å; S260-E262 PolarHBondContact O-N 2.55Å; S260-I263 PolarHBondContact O-N 3.1Å |
| 261 | R | 89.2 | Confident | 91.9 | Very high | 184 Ų | 184 | 53.6 Ų | 53.6 | 69% | 0.694 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69 | -19.6 | 179.3 | -61.2 | 179.2 | 178.3 | -175.6 | 0.4 | 113 | R257 L259 I263 | R257-R261 WeakPolarHBondContact O-CD 3.06Å; R257-R261 PolarHBondContact O-NE 3.04Å; L259-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact O-N 3.15Å; R261-I263 VanDerWaalsContact C-N 3.33Å |
| 262 | E | 86.7 | Confident | 91.9 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -82.1 | -13.5 | 177 | -59.5 | -173.2 | -168 | 0 | 0 | 112.3 | K213 L259 S260 T264 D268 | K213-E262 IonicContact NZ-OE2 2.92Å; K213-E262 PolarHBondContact NZ-OE2 3.46Å; L259-E262 WeakPolarHBondContact O-CB 3.41Å; L259-E262 PolarHBondContact O-N 2.72Å; S260-E262 PolarHBondContact O-N 2.55Å; E262-T264 PolarHBondContact O-N 3.24Å; E262-D268 WeakPolarHBondContact O-CB 3.43Å |
| 263 | I | 90.9 | Very high | 92 | Very high | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 25% | 0.25 | C | C | . | . | trans | -91.3 | 99.2 | -175 | -48.7 | 173.2 | 0 | 0 | 0 | 109.6 | F255 S260 R261 F269 L272 F291 | F255-I263 HydrophobicContact CE2-CD1 4.03Å; F255-I263 HydrophobicContact CZ-CD1 3.93Å; S260-I263 PolarHBondContact O-N 3.1Å; R261-I263 VanDerWaalsContact C-N 3.33Å; I263-F269 HydrophobicContact CG2-CB 4.08Å; I263-L272 HydrophobicContact CD1-CD2 3.48Å; I263-L272 VanDerWaalsContact CD1-CD2 3.48Å; I263-L272 HydrophobicContact CG1-CD2 3.69Å; I263-F291 HydrophobicContact CD1-CD1 4.03Å; I263-F291 HydrophobicContact CD1-CE1 3.88Å; I263-F291 HydrophobicContact CG2-CE1 4.15Å | ||
| 264 | T | 87.8 | Confident | 92 | Very high | 97 Ų | 97 | 53 Ų | 53 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -109 | -39.8 | 173.9 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | E262 D268 | E262-T264 PolarHBondContact O-N 3.24Å; T264-D268 WeakPolarHBondContact CA-OD2 3.37Å; T264-D268 WeakPolarHBondContact CB-OD2 3.44Å; T264-D268 PolarHBondContact N-OD2 2.93Å |
| 265 | Y | 88.4 | Confident | 91.9 | Very high | 160 Ų | 160 | 53.1 Ų | 53.1 | 63% | 0.627 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -123.5 | 169.8 | -176.9 | -54.4 | -74.7 | 0 | 0 | 0 | 111.6 | D267 D268 F269 | Y265-D267 VanDerWaalsContact C-N 3.27Å; Y265-D267 PolarHBondContact O-N 3.23Å; Y265-D268 PolarHBondContact N-OD2 3.48Å; Y265-D268 WeakPolarHBondContact O-CB 3.28Å; Y265-D268 PolarHBondContact O-N 2.68Å; Y265-F269 PolarHBondContact O-N 3.43Å |
| 266 | F | 88.6 | Confident | 91.8 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 177.2 | 177.9 | -101.3 | 0 | 0 | 0 | 112.6 | D268 F269 V270 F305 K308 L309 V312 I357 | F266-D268 VanDerWaalsContact C-N 3.29Å; F266-D268 PolarHBondContact O-N 2.76Å; F266-F269 HydrophobicContact CE2-CD1 4.49Å; F266-F269 WeakPolarHBondContact O-CB 3.47Å; F266-F269 PolarHBondContact O-N 2.89Å; F266-F269 VanDerWaalsContact O-N 3.16Å; F266-V270 HydrophobicContact CD1-CG2 4.04Å; F266-V270 HydrophobicContact CE1-CG2 3.61Å; F266-V270 HydrophobicContact CE2-CG2 4.31Å; F266-V270 HydrophobicContact CZ-CG2 3.77Å; F266-V270 WeakPolarHBondContact O-CG2 3.44Å; F266-V270 PolarHBondContact O-N 3.38Å; F266-F305 HydrophobicContact CB-CE2 4.46Å; F266-F305 HydrophobicContact CD2-CD2 4.32Å; F266-F305 AromaticContact CD2-CE2 3.69Å; F266-F305 HydrophobicContact CD2-CE2 3.69Å; F266-F305 HydrophobicContact CE2-CE2 4.43Å; F266-F305 HydrophobicContact CG-CE2 4.46Å; F266-K308 HydrophobicContact CE1-CB 4.24Å; F266-K308 HydrophobicContact CE1-CD 4.4Å; F266-K308 HydrophobicContact CE2-CB 3.93Å; F266-K308 HydrophobicContact CZ-CB 3.61Å; F266-L309 HydrophobicContact CD2-CD2 4.48Å; F266-L309 HydrophobicContact CE2-CD2 3.99Å; F266-L309 HydrophobicContact CE2-CG 4.43Å; F266-V312 HydrophobicContact CE1-CG2 4.42Å; F266-V312 HydrophobicContact CE2-CG2 4.26Å; F266-V312 HydrophobicContact CZ-CG2 3.58Å; F266-I357 HydrophobicContact CE1-CD1 4.5Å; F266-I357 HydrophobicContact CE1-CG1 4.34Å; F266-I357 HydrophobicContact CZ-CD1 4.43Å |
| 267 | D | 90 | Very high | 91.8 | Very high | 114 Ų | 114 | 49.6 Ų | 49.6 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.3 | -31.2 | 179.7 | -64.3 | -19.7 | 0 | 0 | 0 | 112.4 | Y265 V270 T271 | Y265-D267 VanDerWaalsContact C-N 3.27Å; Y265-D267 PolarHBondContact O-N 3.23Å; D267-V270 PolarHBondContact O-N 2.94Å; D267-T271 VanDerWaalsContact O-CB 3.29Å; D267-T271 WeakPolarHBondContact O-CB 3.36Å; D267-T271 PolarHBondContact O-N 3.34Å; D267-T271 PolarHBondContact O-OG1 3.46Å |
| 268 | D | 92.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 173.2 | -57 | -35.6 | 0 | 0 | 0 | 110.3 | E262 T264 Y265 F266 T271 L272 | E262-D268 WeakPolarHBondContact O-CB 3.43Å; T264-D268 WeakPolarHBondContact CA-OD2 3.37Å; T264-D268 WeakPolarHBondContact CB-OD2 3.44Å; T264-D268 PolarHBondContact N-OD2 2.93Å; Y265-D268 PolarHBondContact N-OD2 3.48Å; Y265-D268 WeakPolarHBondContact O-CB 3.28Å; Y265-D268 PolarHBondContact O-N 2.68Å; F266-D268 VanDerWaalsContact C-N 3.29Å; F266-D268 PolarHBondContact O-N 2.76Å; D268-T271 PolarHBondContact O-N 2.93Å; D268-L272 VanDerWaalsContact O-CB 3.3Å; D268-L272 WeakPolarHBondContact O-CB 3.26Å; D268-L272 PolarHBondContact O-N 3.13Å |
| 269 | F | 93.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.7 | 167.1 | -99 | 0 | 0 | 0 | 111.7 | I263 Y265 F266 T271 L272 V273 V288 I292 L309 V312 L318 L321 | I263-F269 HydrophobicContact CG2-CB 4.08Å; Y265-F269 PolarHBondContact O-N 3.43Å; F266-F269 HydrophobicContact CE2-CD1 4.49Å; F266-F269 WeakPolarHBondContact O-CB 3.47Å; F266-F269 PolarHBondContact O-N 2.89Å; F266-F269 VanDerWaalsContact O-N 3.16Å; F269-T271 PolarHBondContact O-N 3.29Å; F269-L272 PolarHBondContact O-N 3.41Å; F269-V273 HydrophobicContact CD2-CG2 4.16Å; F269-V273 HydrophobicContact CE1-CG2 4.23Å; F269-V273 HydrophobicContact CE2-CG2 3.78Å; F269-V273 HydrophobicContact CZ-CG2 3.8Å; F269-V273 WeakPolarHBondContact O-CG2 3.36Å; F269-V273 PolarHBondContact O-N 3.4Å; F269-V288 HydrophobicContact CD2-CG1 3.79Å; F269-V288 HydrophobicContact CE2-CG1 3.43Å; F269-V288 VanDerWaalsContact CE2-CG1 3.43Å; F269-V288 HydrophobicContact CZ-CG1 4.44Å; F269-I292 HydrophobicContact CE2-CB 3.81Å; F269-I292 HydrophobicContact CE2-CG1 4.12Å; F269-I292 HydrophobicContact CE2-CG2 3.78Å; F269-I292 HydrophobicContact CZ-CB 4.24Å; F269-I292 HydrophobicContact CZ-CG1 4.21Å; F269-I292 HydrophobicContact CZ-CG2 3.92Å; F269-L309 HydrophobicContact CD1-CD2 4.33Å; F269-L309 HydrophobicContact CE1-CD2 3.77Å; F269-L309 HydrophobicContact CZ-CD2 4.27Å; F269-V312 HydrophobicContact CD1-CG1 4.48Å; F269-V312 HydrophobicContact CE1-CG1 3.76Å; F269-L318 HydrophobicContact CZ-CD1 4.09Å; F269-L321 HydrophobicContact CZ-CD2 4.29Å |
| 270 | V | 92.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | F266 D267 L272 V273 E274 V312 Y316 | F266-V270 HydrophobicContact CD1-CG2 4.04Å; F266-V270 HydrophobicContact CE1-CG2 3.61Å; F266-V270 HydrophobicContact CE2-CG2 4.31Å; F266-V270 HydrophobicContact CZ-CG2 3.77Å; F266-V270 WeakPolarHBondContact O-CG2 3.44Å; F266-V270 PolarHBondContact O-N 3.38Å; D267-V270 PolarHBondContact O-N 2.94Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 3.42Å; V270-V273 PolarHBondContact O-N 2.85Å; V270-E274 VanDerWaalsContact O-CB 3.24Å; V270-E274 WeakPolarHBondContact O-CB 3.49Å; V270-E274 PolarHBondContact O-N 2.85Å; V270-V312 HydrophobicContact CG2-CG1 4.36Å; V270-V312 HydrophobicContact CG2-CG2 3.82Å; V270-Y316 HydrophobicContact CG1-CE2 4.41Å |
| 271 | T | 92.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | F214 D267 D268 F269 G275 | F214-T271 HydrophobicContact CE2-CG2 4.45Å; F214-T271 HydrophobicContact CZ-CG2 4.41Å; F214-T271 WeakPolarHBondContact CZ-O 3.34Å; D267-T271 VanDerWaalsContact O-CB 3.29Å; D267-T271 WeakPolarHBondContact O-CB 3.36Å; D267-T271 PolarHBondContact O-N 3.34Å; D267-T271 PolarHBondContact O-OG1 3.46Å; D268-T271 PolarHBondContact O-N 2.93Å; F269-T271 PolarHBondContact O-N 3.29Å; T271-G275 PolarHBondContact O-N 2.76Å |
| 272 | L | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -49.9 | 177.7 | 179.8 | 59 | 0 | 0 | 0 | 112.1 | F214 F255 L259 I263 D268 F269 V270 E274 G275 L276 V288 | F214-L272 HydrophobicContact CE1-CD1 3.84Å; F255-L272 HydrophobicContact CE2-CD2 4.08Å; L259-L272 HydrophobicContact CB-CD1 4.42Å; L259-L272 HydrophobicContact CB-CD2 4.46Å; L259-L272 HydrophobicContact CD1-CD1 4.36Å; L259-L272 HydrophobicContact CD2-CD1 4.3Å; I263-L272 HydrophobicContact CD1-CD2 3.48Å; I263-L272 VanDerWaalsContact CD1-CD2 3.48Å; I263-L272 HydrophobicContact CG1-CD2 3.69Å; D268-L272 VanDerWaalsContact O-CB 3.3Å; D268-L272 WeakPolarHBondContact O-CB 3.26Å; D268-L272 PolarHBondContact O-N 3.13Å; F269-L272 PolarHBondContact O-N 3.41Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 3.42Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.9Å; L272-G275 PolarHBondContact O-N 3.11Å; L272-L276 HydrophobicContact CD1-CD1 3.86Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CG-CD1 4.04Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.95Å; L272-V288 HydrophobicContact CD2-CG2 3.77Å; L272-V288 HydrophobicContact CG-CG2 4Å |
| 273 | V | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F269 V270 T277 V288 Y316 L318 | F269-V273 HydrophobicContact CD2-CG2 4.16Å; F269-V273 HydrophobicContact CE1-CG2 4.23Å; F269-V273 HydrophobicContact CE2-CG2 3.78Å; F269-V273 HydrophobicContact CZ-CG2 3.8Å; F269-V273 WeakPolarHBondContact O-CG2 3.36Å; F269-V273 PolarHBondContact O-N 3.4Å; V270-V273 PolarHBondContact O-N 2.85Å; V273-T277 WeakPolarHBondContact O-CB 3.19Å; V273-T277 PolarHBondContact O-N 3.14Å; V273-T277 PolarHBondContact O-OG1 2.78Å; V273-V288 HydrophobicContact CG2-CG1 3.47Å; V273-V288 VanDerWaalsContact CG2-CG1 3.47Å; V273-Y316 VanDerWaalsContact CG1-CB 3.42Å; V273-Y316 HydrophobicContact CG1-CD1 4.06Å; V273-Y316 HydrophobicContact CG1-CD2 3.76Å; V273-Y316 HydrophobicContact CG1-CG 3.49Å; V273-Y316 VanDerWaalsContact CG1-CG 3.49Å; V273-L318 HydrophobicContact CG1-CD1 4.2Å; V273-L318 HydrophobicContact CG1-CD2 4.31Å; V273-L318 HydrophobicContact CG2-CD1 4.29Å |
| 274 | E | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 178.2 | -178.3 | 165 | 163.3 | 0 | 0 | 112 | V270 L272 L276 T277 F278 Y316 R358 | V270-E274 VanDerWaalsContact O-CB 3.24Å; V270-E274 WeakPolarHBondContact O-CB 3.49Å; V270-E274 PolarHBondContact O-N 2.85Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 2.9Å; E274-L276 PolarHBondContact O-N 2.73Å; E274-T277 WeakPolarHBondContact O-CB 3.46Å; E274-T277 PolarHBondContact O-N 2.8Å; E274-T277 VanDerWaalsContact O-N 3.12Å; E274-F278 HydrophobicContact CG-CD2 3.6Å; E274-F278 HydrophobicContact CG-CE2 3.31Å; E274-F278 HydrophobicContact CG-CZ 4.45Å; E274-F278 VanDerWaalsContact O-CD2 3.23Å; E274-F278 WeakPolarHBondContact O-CD2 3.34Å; E274-F278 PolarHBondContact O-N 3.06Å; E274-Y316 HydrophobicContact CB-CE1 3.69Å; E274-Y316 HydrophobicContact CG-CE1 3.93Å; E274-Y316 PolarHBondContact OE2-OH 2.98Å; E274-R358 IonicContact OE1-CZ 3.63Å; E274-R358 VanDerWaalsContact OE1-CZ 3.22Å; E274-R358 IonicContact OE1-NH1 2.73Å; E274-R358 PolarHBondContact OE1-NH1 2.92Å; E274-R358 VanDerWaalsContact OE1-NH1 3.09Å; E274-R358 IonicContact OE1-NH2 3.36Å; E274-R358 PolarHBondContact OE1-NH2 3.46Å; E274-R358 IonicContact OE2-CZ 3.63Å; E274-R358 IonicContact OE2-NE 3.15Å; E274-R358 IonicContact OE2-NH1 2.97Å; E274-R358 IonicContact OE2-NH2 3.61Å; E274-R358 PolarHBondContact OE2-NH2 3.43Å |
| 275 | G | 93.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F214 T271 L272 T277 F278 A279 | F214-G275 VanDerWaalsContact CD2-CA 3.41Å; F214-G275 VanDerWaalsContact CE2-CA 3.49Å; T271-G275 PolarHBondContact O-N 2.76Å; L272-G275 PolarHBondContact O-N 3.11Å; G275-T277 VanDerWaalsContact C-N 3.29Å; G275-T277 PolarHBondContact O-N 2.95Å; G275-F278 PolarHBondContact O-N 3.28Å; G275-A279 VanDerWaalsContact O-CB 3.24Å; G275-A279 WeakPolarHBondContact O-CB 3.38Å; G275-A279 PolarHBondContact O-N 2.9Å |
| 276 | L | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -31.7 | 175.8 | -67.1 | 175 | 0 | 0 | 0 | 112.7 | F214 L259 L272 E274 H280 L281 L284 V288 | F214-L276 HydrophobicContact CD1-CD2 4.43Å; L259-L276 HydrophobicContact CD1-CD2 4.36Å; L272-L276 HydrophobicContact CD1-CD1 3.86Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CG-CD1 4.04Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.95Å; E274-L276 PolarHBondContact O-N 2.73Å; L276-H280 PolarHBondContact O-N 2.88Å; L276-L281 HydrophobicContact CD2-CB 4.08Å; L276-L281 HydrophobicContact CD2-CD1 3.78Å; L276-L281 PolarHBondContact O-N 2.73Å; L276-L284 HydrophobicContact CD1-CB 3.98Å; L276-L284 HydrophobicContact CD2-CB 3.98Å; L276-L284 HydrophobicContact CD2-CD1 4.06Å; L276-V288 HydrophobicContact CD1-CG2 3.59Å |
| 277 | T | 92.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.5 | -48.5 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | V273 E274 G275 H280 Y316 | V273-T277 WeakPolarHBondContact O-CB 3.19Å; V273-T277 PolarHBondContact O-N 3.14Å; V273-T277 PolarHBondContact O-OG1 2.78Å; E274-T277 WeakPolarHBondContact O-CB 3.46Å; E274-T277 PolarHBondContact O-N 2.8Å; E274-T277 VanDerWaalsContact O-N 3.12Å; G275-T277 VanDerWaalsContact C-N 3.29Å; G275-T277 PolarHBondContact O-N 2.95Å; T277-H280 PolarHBondContact O-N 2.97Å; T277-H280 VanDerWaalsContact O-N 3.15Å; T277-Y316 HydrophobicContact CG2-CD1 4.46Å |
| 278 | F | 92 | Very high | 93.4 | Very high | 150 Ų | 150 | 35 Ų | 35 | 66% | 0.658 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -67.2 | -34.7 | 177.3 | -73.8 | -58 | 0 | 0 | 0 | 113.2 | E274 G275 H280 | E274-F278 HydrophobicContact CG-CD2 3.6Å; E274-F278 HydrophobicContact CG-CE2 3.31Å; E274-F278 HydrophobicContact CG-CZ 4.45Å; E274-F278 VanDerWaalsContact O-CD2 3.23Å; E274-F278 WeakPolarHBondContact O-CD2 3.34Å; E274-F278 PolarHBondContact O-N 3.06Å; G275-F278 PolarHBondContact O-N 3.28Å; F278-H280 PolarHBondContact O-CD2 3.34Å; F278-H280 PolarHBondContact O-N 3.28Å |
| 279 | A | 92.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F214 R218 G275 L281 | F214-A279 HydrophobicContact CB-CB 3.99Å; R218-A279 HydrophobicContact CB-CB 4.38Å; R218-A279 WeakPolarHBondContact CD-O 3.47Å; R218-A279 PolarHBondContact NE-O 2.65Å; G275-A279 VanDerWaalsContact O-CB 3.24Å; G275-A279 WeakPolarHBondContact O-CB 3.38Å; G275-A279 PolarHBondContact O-N 2.9Å; A279-L281 HydrophobicContact CB-CD1 3.91Å; A279-L281 HydrophobicContact CB-CG 4.2Å |
| 280 | H | 92.6 | Very high | 93.5 | Very high | 151 Ų | 151 | 33.2 Ų | 33.2 | 70% | 0.699 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 50.3 | -178.1 | -58.5 | -69.8 | 0 | 0 | 0 | 113.4 | L276 T277 F278 P282 | L276-H280 PolarHBondContact O-N 2.88Å; T277-H280 PolarHBondContact O-N 2.97Å; T277-H280 VanDerWaalsContact O-N 3.15Å; F278-H280 PolarHBondContact O-CD2 3.34Å; F278-H280 PolarHBondContact O-N 3.28Å; H280-P282 WeakPolarHBondContact O-CD 3.34Å |
| 281 | L | 93.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | trans | -110.7 | 71.1 | 179.3 | -68.9 | 167.7 | 0 | 0 | 0 | 111.7 | R218 F221 L276 A279 A283 L284 R285 | R218-L281 HydrophobicContact CB-CD1 3.94Å; R218-L281 HydrophobicContact CB-CD2 4.36Å; R218-L281 HydrophobicContact CB-CG 4.35Å; R218-L281 HydrophobicContact CG-CD1 4.44Å; R218-L281 HydrophobicContact CG-CD2 4.09Å; R218-L281 HydrophobicContact CG-CG 4.31Å; F221-L281 HydrophobicContact CB-CD2 4.13Å; F221-L281 HydrophobicContact CD1-CD2 3.84Å; F221-L281 HydrophobicContact CG-CD2 4.11Å; L276-L281 HydrophobicContact CD2-CB 4.08Å; L276-L281 HydrophobicContact CD2-CD1 3.78Å; L276-L281 PolarHBondContact O-N 2.73Å; A279-L281 HydrophobicContact CB-CD1 3.91Å; A279-L281 HydrophobicContact CB-CG 4.2Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.19Å; L281-L284 HydrophobicContact CB-CB 4.38Å; L281-L284 HydrophobicContact CB-CD1 4.3Å; L281-L284 HydrophobicContact CD1-CD1 4.05Å; L281-L284 PolarHBondContact O-N 3.03Å; L281-R285 PolarHBondContact O-N 3.13Å | ||
| 282 | P | 92.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 31.9 Ų | 31.9 | 53% | 0.532 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.5 | -33 | -172.3 | 25.9 | -35.3 | 0 | 0 | 0 | 113.6 | H280 R285 K286 | H280-P282 WeakPolarHBondContact O-CD 3.34Å; P282-R285 PolarHBondContact O-N 3.39Å; P282-K286 WeakPolarHBondContact O-CG 3.25Å; P282-K286 PolarHBondContact O-N 3.49Å |
| 283 | A | 92.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F221 R247 A251 L281 K286 E287 | F221-A283 HydrophobicContact CE1-CB 4.43Å; F221-A283 HydrophobicContact CZ-CB 3.89Å; R247-A283 HydrophobicContact CG-CB 4.11Å; A251-A283 HydrophobicContact CB-CB 3.84Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.19Å; A283-K286 PolarHBondContact O-N 2.98Å; A283-E287 PolarHBondContact O-N 3Å |
| 284 | L | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | 175.1 | -70.4 | 170.4 | 0 | 0 | 0 | 111.9 | F221 A251 Y254 F255 L259 L276 L281 K286 E287 V288 | F221-L284 HydrophobicContact CB-CD1 4.46Å; F221-L284 HydrophobicContact CD2-CD1 3.68Å; F221-L284 HydrophobicContact CD2-CD2 4.18Å; F221-L284 HydrophobicContact CD2-CG 3.88Å; F221-L284 HydrophobicContact CE2-CD1 4.18Å; F221-L284 HydrophobicContact CE2-CD2 4.06Å; F221-L284 HydrophobicContact CE2-CG 3.85Å; F221-L284 HydrophobicContact CG-CD1 4.13Å; A251-L284 HydrophobicContact CB-CD2 4.1Å; A251-L284 WeakPolarHBondContact O-CD2 3.38Å; Y254-L284 HydrophobicContact CD1-CD1 4.18Å; Y254-L284 HydrophobicContact CD1-CD2 3.99Å; Y254-L284 HydrophobicContact CE1-CD1 4.49Å; F255-L284 HydrophobicContact CB-CD2 4.19Å; L259-L284 HydrophobicContact CD1-CD1 4.09Å; L259-L284 HydrophobicContact CD1-CD2 4.05Å; L259-L284 HydrophobicContact CD1-CG 4.47Å; L276-L284 HydrophobicContact CD1-CB 3.98Å; L276-L284 HydrophobicContact CD2-CB 3.98Å; L276-L284 HydrophobicContact CD2-CD1 4.06Å; L281-L284 HydrophobicContact CB-CB 4.38Å; L281-L284 HydrophobicContact CB-CD1 4.3Å; L281-L284 HydrophobicContact CD1-CD1 4.05Å; L281-L284 PolarHBondContact O-N 3.03Å; L284-K286 VanDerWaalsContact C-N 3.26Å; L284-K286 PolarHBondContact O-N 3.42Å; L284-E287 PolarHBondContact O-N 3.32Å; L284-E287 VanDerWaalsContact O-N 3.12Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.92Å |
| 285 | R | 94.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 19% | 0.185 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -38.2 | 173.2 | -171.6 | -179.3 | 66.1 | 169.6 | -2.5 | 111.7 | L281 P282 E287 V288 E289 Y316 L318 | L281-R285 PolarHBondContact O-N 3.13Å; P282-R285 PolarHBondContact O-N 3.39Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-V288 PolarHBondContact O-N 3.29Å; R285-E289 PolarHBondContact O-N 2.88Å; R285-Y316 PolarHBondContact NH1-O 2.92Å; R285-L318 HydrophobicContact CG-CD2 3.7Å |
| 286 | K | 93.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -31.9 | 175.4 | -72.5 | -69.1 | 173.5 | -168.6 | 0 | 113 | L171 P172 P282 A283 L284 E289 R290 | L171-K286 HydrophobicContact CD2-CD 3.8Å; P172-K286 HydrophobicContact CG-CB 4.13Å; P172-K286 HydrophobicContact CG-CG 4.31Å; P282-K286 WeakPolarHBondContact O-CG 3.25Å; P282-K286 PolarHBondContact O-N 3.49Å; A283-K286 PolarHBondContact O-N 2.98Å; L284-K286 VanDerWaalsContact C-N 3.26Å; L284-K286 PolarHBondContact O-N 3.42Å; K286-E289 WeakPolarHBondContact CD-OE2 3.44Å; K286-E289 IonicContact NZ-OE2 3.76Å; K286-E289 PolarHBondContact NZ-OE2 2.94Å; K286-E289 WeakPolarHBondContact O-CB 3.29Å; K286-E289 PolarHBondContact O-N 3.16Å; K286-R290 WeakPolarHBondContact O-CB 3.44Å; K286-R290 PolarHBondContact O-N 3.08Å |
| 287 | E | 93.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74 | -34.6 | 173.2 | -68.6 | -58.2 | 119.2 | 0 | 0 | 112.8 | A251 H252 F255 A283 L284 R285 E289 R290 F291 | A251-E287 HydrophobicContact CB-CG 3.94Å; H252-E287 HydrophobicContact CB-CG 4.46Å; H252-E287 IonicContact CE1-OE2 3.95Å; H252-E287 IonicContact CG-OE2 2.68Å; H252-E287 IonicContact ND1-OE2 3.71Å; H252-E287 PolarHBondContact ND1-OE2 2.83Å; F255-E287 HydrophobicContact CB-CB 3.88Å; F255-E287 HydrophobicContact CD1-CB 4.17Å; F255-E287 HydrophobicContact CD2-CB 4.45Å; F255-E287 HydrophobicContact CG-CB 3.89Å; A283-E287 PolarHBondContact O-N 3Å; L284-E287 PolarHBondContact O-N 3.32Å; L284-E287 VanDerWaalsContact O-N 3.12Å; R285-E287 VanDerWaalsContact C-N 3.34Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E287-R290 WeakPolarHBondContact O-CB 3.26Å; E287-R290 PolarHBondContact O-N 2.71Å; E287-R290 IonicContact OE1-NE 3.31Å; E287-R290 PolarHBondContact OE1-NE 3.06Å; E287-R290 WeakPolarHBondContact OE2-CD 3.45Å; E287-R290 IonicContact OE2-NE 2.74Å; E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 2.93Å |
| 288 | V | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 169 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | F255 F269 L272 V273 L276 L284 R285 F291 I292 | F255-V288 HydrophobicContact CD2-CG2 3.85Å; F255-V288 HydrophobicContact CE2-CB 4.29Å; F255-V288 HydrophobicContact CE2-CG2 3.5Å; F255-V288 VanDerWaalsContact CE2-CG2 3.5Å; F255-V288 HydrophobicContact CZ-CG2 4.43Å; F269-V288 HydrophobicContact CD2-CG1 3.79Å; F269-V288 HydrophobicContact CE2-CG1 3.43Å; F269-V288 VanDerWaalsContact CE2-CG1 3.43Å; F269-V288 HydrophobicContact CZ-CG1 4.44Å; L272-V288 HydrophobicContact CD2-CG2 3.77Å; L272-V288 HydrophobicContact CG-CG2 4Å; V273-V288 HydrophobicContact CG2-CG1 3.47Å; V273-V288 VanDerWaalsContact CG2-CG1 3.47Å; L276-V288 HydrophobicContact CD1-CG2 3.59Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.92Å; R285-V288 PolarHBondContact O-N 3.29Å; V288-F291 PolarHBondContact O-N 3.45Å; V288-I292 WeakPolarHBondContact O-CG2 3.44Å; V288-I292 PolarHBondContact O-N 3.3Å; V288-I292 VanDerWaalsContact O-N 3.13Å |
| 289 | E | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.3 | -170.8 | 172.5 | -163 | 0 | 0 | 111.7 | L171 R285 K286 E287 I292 C293 L318 E319 I320 L321 | L171-E289 HydrophobicContact CD2-CB 4.4Å; L171-E289 HydrophobicContact CD2-CG 4.13Å; R285-E289 PolarHBondContact O-N 2.88Å; K286-E289 WeakPolarHBondContact CD-OE2 3.44Å; K286-E289 IonicContact NZ-OE2 3.76Å; K286-E289 PolarHBondContact NZ-OE2 2.94Å; K286-E289 WeakPolarHBondContact O-CB 3.29Å; K286-E289 PolarHBondContact O-N 3.16Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E289-I292 WeakPolarHBondContact O-CG2 3.3Å; E289-I292 PolarHBondContact O-N 3.22Å; E289-C293 VanDerWaalsContact O-CB 3.31Å; E289-C293 WeakPolarHBondContact O-CB 3.24Å; E289-C293 PolarHBondContact O-N 3.28Å; E289-C293 PolarHBondContact O-SG 3.43Å; E289-L318 HydrophobicContact CB-CD2 4.39Å; E289-L318 HydrophobicContact CG-CB 4.2Å; E289-L318 VanDerWaalsContact OE1-CA 3.32Å; E289-L318 WeakPolarHBondContact OE1-CA 3.25Å; E289-E319 PolarHBondContact OE1-N 3.3Å; E289-E319 VanDerWaalsContact OE1-N 3.14Å; E289-I320 WeakPolarHBondContact OE1-CA 3.37Å; E289-I320 WeakPolarHBondContact OE1-CB 3.29Å; E289-I320 PolarHBondContact OE1-N 2.93Å; E289-L321 HydrophobicContact CG-CB 4.03Å; E289-L321 PolarHBondContact OE1-N 3.19Å |
| 290 | R | 92.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 174 | -177.5 | -179.7 | -64.5 | -68.9 | -2.2 | 111.9 | L168 L171 P172 K286 E287 I292 C293 Q294 | L168-R290 HydrophobicContact CD2-CG 4.43Å; L171-R290 VanDerWaalsContact C-NH2 3.25Å; L171-R290 VanDerWaalsContact CD1-CA 3.44Å; L171-R290 HydrophobicContact CD1-CB 3.74Å; L171-R290 HydrophobicContact CD1-CG 4.28Å; L171-R290 PolarHBondContact O-NH2 2.95Å; P172-R290 PolarHBondContact O-NH2 2.96Å; K286-R290 WeakPolarHBondContact O-CB 3.44Å; K286-R290 PolarHBondContact O-N 3.08Å; E287-R290 WeakPolarHBondContact O-CB 3.26Å; E287-R290 PolarHBondContact O-N 2.71Å; E287-R290 IonicContact OE1-NE 3.31Å; E287-R290 PolarHBondContact OE1-NE 3.06Å; E287-R290 WeakPolarHBondContact OE2-CD 3.45Å; E287-R290 IonicContact OE2-NE 2.74Å; R290-I292 PolarHBondContact O-N 2.87Å; R290-C293 PolarHBondContact O-N 3.39Å; R290-Q294 WeakPolarHBondContact O-CG 3.34Å; R290-Q294 PolarHBondContact O-N 3.38Å |
| 291 | F | 92.1 | Very high | 88.2 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -49.4 | -178.4 | 168.8 | -100.2 | 0 | 0 | 0 | 111.9 | F255 I263 E287 V288 Q294 K295 | F255-F291 HydrophobicContact CE1-CB 3.58Å; F255-F291 HydrophobicContact CE1-CD2 4.08Å; F255-F291 AromaticContact CE1-CG 3.92Å; F255-F291 HydrophobicContact CE1-CG 3.92Å; F255-F291 HydrophobicContact CZ-CB 3.59Å; F255-F291 HydrophobicContact CZ-CD1 4.19Å; F255-F291 HydrophobicContact CZ-CD2 4.21Å; F255-F291 AromaticContact CZ-CG 3.74Å; F255-F291 HydrophobicContact CZ-CG 3.74Å; I263-F291 HydrophobicContact CD1-CD1 4.03Å; I263-F291 HydrophobicContact CD1-CE1 3.88Å; I263-F291 HydrophobicContact CG2-CE1 4.15Å; E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 2.93Å; V288-F291 PolarHBondContact O-N 3.45Å; F291-Q294 PolarHBondContact O-N 2.71Å; F291-K295 HydrophobicContact CZ-CG 4.36Å; F291-K295 WeakPolarHBondContact O-CG 3.35Å; F291-K295 PolarHBondContact O-N 2.68Å; F291-K295 VanDerWaalsContact O-N 3.17Å |
| 292 | I | 91.8 | Very high | 87.9 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73 | -34.6 | -177.8 | -166.4 | 64.5 | 0 | 0 | 0 | 111.9 | F269 V288 E289 R290 Q294 K295 V296 F305 L309 L321 | F269-I292 HydrophobicContact CE2-CB 3.81Å; F269-I292 HydrophobicContact CE2-CG1 4.12Å; F269-I292 HydrophobicContact CE2-CG2 3.78Å; F269-I292 HydrophobicContact CZ-CB 4.24Å; F269-I292 HydrophobicContact CZ-CG1 4.21Å; F269-I292 HydrophobicContact CZ-CG2 3.92Å; V288-I292 WeakPolarHBondContact O-CG2 3.44Å; V288-I292 PolarHBondContact O-N 3.3Å; V288-I292 VanDerWaalsContact O-N 3.13Å; E289-I292 WeakPolarHBondContact O-CG2 3.3Å; E289-I292 PolarHBondContact O-N 3.22Å; R290-I292 PolarHBondContact O-N 2.87Å; I292-Q294 PolarHBondContact O-N 2.94Å; I292-K295 HydrophobicContact CD1-CB 4.47Å; I292-K295 PolarHBondContact O-N 2.71Å; I292-V296 WeakPolarHBondContact O-CB 3.35Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.45Å; I292-V296 PolarHBondContact O-N 2.98Å; I292-F305 HydrophobicContact CD1-CE1 4.49Å; I292-F305 HydrophobicContact CD1-CZ 4.18Å; I292-L309 HydrophobicContact CD1-CD1 4.41Å; I292-L309 HydrophobicContact CD1-CD2 4.27Å; I292-L309 HydrophobicContact CG1-CD1 4.12Å; I292-L309 HydrophobicContact CG1-CD2 3.86Å; I292-L321 HydrophobicContact CG2-CD1 3.93Å; I292-L321 HydrophobicContact CG2-CD2 3.56Å; I292-L321 HydrophobicContact CG2-CG 4.27Å |
| 293 | C | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 171.6 | -79 | 0 | 0 | 0 | 0 | 111.9 | L168 E289 R290 K295 V296 I297 | L168-C293 HydrophobicContact CD2-CB 3.93Å; E289-C293 VanDerWaalsContact O-CB 3.31Å; E289-C293 WeakPolarHBondContact O-CB 3.24Å; E289-C293 PolarHBondContact O-N 3.28Å; E289-C293 PolarHBondContact O-SG 3.43Å; R290-C293 PolarHBondContact O-N 3.39Å; C293-K295 VanDerWaalsContact C-N 3.35Å; C293-K295 PolarHBondContact O-N 3.15Å; C293-V296 WeakPolarHBondContact O-CB 3.31Å; C293-V296 PolarHBondContact O-N 3.44Å; C293-I297 WeakPolarHBondContact O-CB 3.37Å; C293-I297 WeakPolarHBondContact O-CD1 3.34Å; C293-I297 WeakPolarHBondContact O-CG1 3.32Å; C293-I297 PolarHBondContact O-N 3.01Å |
| 294 | Q | 88.6 | Confident | 87.4 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59 | -46.3 | 175 | -76.3 | 172.6 | -25.2 | 0 | 0 | 111.4 | L168 R290 F291 I292 V296 I297 E298 | L168-Q294 HydrophobicContact CD1-CG 3.69Å; L168-Q294 HydrophobicContact CD2-CG 3.97Å; R290-Q294 WeakPolarHBondContact O-CG 3.34Å; R290-Q294 PolarHBondContact O-N 3.38Å; F291-Q294 PolarHBondContact O-N 2.71Å; I292-Q294 PolarHBondContact O-N 2.94Å; Q294-V296 VanDerWaalsContact C-N 3.3Å; Q294-V296 PolarHBondContact O-N 2.96Å; Q294-I297 PolarHBondContact O-N 2.89Å; Q294-E298 WeakPolarHBondContact O-CB 3.38Å; Q294-E298 VanDerWaalsContact O-CG 3.26Å; Q294-E298 WeakPolarHBondContact O-CG 3.38Å; Q294-E298 PolarHBondContact O-N 2.75Å |
| 295 | K | 85.4 | Confident | 87.2 | Confident | 100 Ų | 100 | 51 Ų | 51 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.8 | -65.9 | -63.3 | 173.6 | -157.9 | 0 | 113 | F291 I292 C293 A299 | F291-K295 HydrophobicContact CZ-CG 4.36Å; F291-K295 WeakPolarHBondContact O-CG 3.35Å; F291-K295 PolarHBondContact O-N 2.68Å; F291-K295 VanDerWaalsContact O-N 3.17Å; I292-K295 HydrophobicContact CD1-CB 4.47Å; I292-K295 PolarHBondContact O-N 2.71Å; C293-K295 VanDerWaalsContact C-N 3.35Å; C293-K295 PolarHBondContact O-N 3.15Å; K295-A299 WeakPolarHBondContact O-CB 3.35Å; K295-A299 PolarHBondContact O-N 3.12Å |
| 296 | V | 85.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.3 | 148.5 | 0 | 0 | 0 | 0 | 111.9 | I292 C293 Q294 M301 L309 L321 V324 I325 | I292-V296 WeakPolarHBondContact O-CB 3.35Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.45Å; I292-V296 PolarHBondContact O-N 2.98Å; C293-V296 WeakPolarHBondContact O-CB 3.31Å; C293-V296 PolarHBondContact O-N 3.44Å; Q294-V296 VanDerWaalsContact C-N 3.3Å; Q294-V296 PolarHBondContact O-N 2.96Å; V296-M301 HydrophobicContact CB-CE 3.66Å; V296-M301 HydrophobicContact CG1-CE 3.15Å; V296-M301 HydrophobicContact CG2-CE 3.54Å; V296-M301 HydrophobicContact CG2-SD 4.01Å; V296-L309 HydrophobicContact CG2-CD1 3.77Å; V296-L321 HydrophobicContact CG2-CD1 4.36Å; V296-V324 HydrophobicContact CG1-CG1 3.53Å; V296-I325 HydrophobicContact CG1-CD1 4.3Å; V296-I325 HydrophobicContact CG2-CD1 4.03Å |
| 297 | I | 81.3 | Confident | 87.1 | Confident | 87 Ų | 87 | 47 Ų | 47 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.2 | -36.1 | -179.5 | -66.4 | 161.5 | 0 | 0 | 0 | 111.3 | P167 L168 C293 Q294 | P167-I297 HydrophobicContact CB-CD1 4.15Å; P167-I297 HydrophobicContact CG-CD1 3.84Å; P167-I297 HydrophobicContact CG-CG1 4.47Å; L168-I297 HydrophobicContact CD2-CD1 4.35Å; L168-I297 HydrophobicContact CG-CD1 4.28Å; C293-I297 WeakPolarHBondContact O-CB 3.37Å; C293-I297 WeakPolarHBondContact O-CD1 3.34Å; C293-I297 WeakPolarHBondContact O-CG1 3.32Å; C293-I297 PolarHBondContact O-N 3.01Å; Q294-I297 PolarHBondContact O-N 2.89Å |
| 298 | E | 77.2 | Confident | 87 | Confident | 145 Ų | 145 | 49 Ų | 49 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -78 | -25.7 | -177.9 | -72.4 | 171.7 | -177.9 | 0 | 0 | 114 | Q294 | Q294-E298 WeakPolarHBondContact O-CB 3.38Å; Q294-E298 VanDerWaalsContact O-CG 3.26Å; Q294-E298 WeakPolarHBondContact O-CG 3.38Å; Q294-E298 PolarHBondContact O-N 2.75Å |
| 299 | A | 69.1 | Low | 87 | Confident | 57 Ų | 57 | 49 Ų | 49 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -105.4 | 148.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K295 M301 | K295-A299 WeakPolarHBondContact O-CB 3.35Å; K295-A299 PolarHBondContact O-N 3.12Å; A299-M301 PolarHBondContact O-N 3.02Å |
| 300 | D | 72.4 | Confident | 87 | Confident | 164 Ų | 164 | 49 Ų | 49 | 88% | 0.877 | 25% | 0.253 | S | S | * | . | trans | -69 | 97.6 | 159.9 | -171 | 21.7 | 0 | 0 | 0 | 107.8 | D302 | D300-D302 PolarHBondContact O-N 3.26Š| ||
| 301 | M | 80.4 | Confident | 87 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | trans | -73.5 | 128.6 | -168.5 | -167.3 | -172 | -31 | 0 | 0 | 111 | V296 A299 P303 F305 A306 L309 I325 F328 | V296-M301 HydrophobicContact CB-CE 3.66Å; V296-M301 HydrophobicContact CG1-CE 3.15Å; V296-M301 HydrophobicContact CG2-CE 3.54Å; V296-M301 HydrophobicContact CG2-SD 4.01Å; A299-M301 PolarHBondContact O-N 3.02Å; M301-P303 WeakPolarHBondContact O-CD 3.32Å; M301-F305 HydrophobicContact CG-CD1 4.04Å; M301-F305 HydrophobicContact SD-CD1 4.48Å; M301-A306 HydrophobicContact CG-CB 4.25Å; M301-A306 HydrophobicContact SD-CB 3.4Å; M301-A306 WeakPolarHBondContact SD-CB 3.47Å; M301-L309 HydrophobicContact SD-CD1 4.46Å; M301-I325 HydrophobicContact CE-CD1 3.64Å; M301-I325 HydrophobicContact SD-CD1 3.5Å; M301-I325 WeakPolarHBondContact SD-CD1 3.39Å; M301-F328 HydrophobicContact CB-CE1 4.12Å; M301-F328 HydrophobicContact CB-CE2 4.15Å; M301-F328 HydrophobicContact CB-CZ 3.76Å; M301-F328 HydrophobicContact CE-CD1 4.28Å; M301-F328 HydrophobicContact CE-CD2 4.48Å; M301-F328 HydrophobicContact CE-CG 4.24Å; M301-F328 HydrophobicContact CG-CE1 4.45Å; M301-F328 VanDerWaalsContact O-CZ 3.26Å; M301-F328 WeakPolarHBondContact O-CZ 3.41Å; M301-F328 HydrophobicContact SD-CD1 4.32Å; M301-F328 HydrophobicContact SD-CE1 4.28Å | ||
| 302 | D | 86.3 | Confident | 87 | Confident | 90 Ų | 90 | 46 Ų | 46 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | trans | -61.5 | 127.9 | 170.5 | 171.6 | 57.5 | 0 | 0 | 0 | 110.6 | D300 S304 F305 A306 | D300-D302 PolarHBondContact O-N 3.26Å; D302-S304 PolarHBondContact O-N 3.37Å; D302-S304 WeakPolarHBondContact OD2-CA 3.5Å; D302-S304 WeakPolarHBondContact OD2-CB 3.37Å; D302-S304 PolarHBondContact OD2-N 2.97Å; D302-F305 HydrophobicContact CB-CB 4Å; D302-F305 WeakPolarHBondContact O-CB 3.44Å; D302-F305 PolarHBondContact O-N 3.06Å; D302-F305 VanDerWaalsContact O-N 3.11Å; D302-F305 PolarHBondContact OD2-N 3.15Å; D302-A306 PolarHBondContact O-N 3.05Å | ||
| 303 | P | 87.1 | Confident | 87.2 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.4 | -31.3 | 179.8 | -25 | 32.4 | 0 | 0 | 0 | 114 | M301 K307 | M301-P303 WeakPolarHBondContact O-CD 3.32Å; P303-K307 WeakPolarHBondContact O-CD 3.48Å; P303-K307 WeakPolarHBondContact O-CE 3.11Å; P303-K307 VanDerWaalsContact O-CG 3.23Å; P303-K307 WeakPolarHBondContact O-CG 3.25Å; P303-K307 PolarHBondContact O-N 2.95Å; P303-K307 VanDerWaalsContact O-N 3.1Å |
| 304 | S | 89.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71 | -43.4 | 176.5 | 155 | 0 | 0 | 0 | 0 | 110.8 | D302 A306 K307 K308 M353 | D302-S304 PolarHBondContact O-N 3.37Å; D302-S304 WeakPolarHBondContact OD2-CA 3.5Å; D302-S304 WeakPolarHBondContact OD2-CB 3.37Å; D302-S304 PolarHBondContact OD2-N 2.97Å; S304-A306 VanDerWaalsContact C-N 3.34Å; S304-A306 PolarHBondContact O-N 3.38Å; S304-K307 PolarHBondContact O-N 3.36Å; S304-K308 PolarHBondContact O-N 3.27Å; S304-K308 VanDerWaalsContact O-N 3.1Å; S304-M353 WeakPolarHBondContact OG-CE 3.29Å |
| 305 | F | 89.8 | Confident | 87.4 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 31% | 0.311 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 171.2 | -173.5 | -115.5 | 0 | 0 | 0 | 112.6 | F266 I292 M301 D302 K307 K308 L309 | F266-F305 HydrophobicContact CB-CE2 4.46Å; F266-F305 HydrophobicContact CD2-CD2 4.32Å; F266-F305 AromaticContact CD2-CE2 3.69Å; F266-F305 HydrophobicContact CD2-CE2 3.69Å; F266-F305 HydrophobicContact CE2-CE2 4.43Å; F266-F305 HydrophobicContact CG-CE2 4.46Å; I292-F305 HydrophobicContact CD1-CE1 4.49Å; I292-F305 HydrophobicContact CD1-CZ 4.18Å; M301-F305 HydrophobicContact CG-CD1 4.04Å; M301-F305 HydrophobicContact SD-CD1 4.48Å; D302-F305 HydrophobicContact CB-CB 4Å; D302-F305 WeakPolarHBondContact O-CB 3.44Å; D302-F305 PolarHBondContact O-N 3.06Å; D302-F305 VanDerWaalsContact O-N 3.11Å; D302-F305 PolarHBondContact OD2-N 3.15Å; F305-K307 PolarHBondContact O-N 3.12Å; F305-K308 PolarHBondContact O-N 2.69Å; F305-L309 HydrophobicContact CD1-CD1 3.77Å; F305-L309 HydrophobicContact CD1-CG 4.36Å; F305-L309 HydrophobicContact CE1-CD1 3.36Å; F305-L309 HydrophobicContact CE1-CG 4.04Å; F305-L309 HydrophobicContact CE2-CG 4.4Å; F305-L309 HydrophobicContact CZ-CD1 3.81Å; F305-L309 HydrophobicContact CZ-CD2 4.23Å; F305-L309 HydrophobicContact CZ-CG 4.06Å; F305-L309 PolarHBondContact O-N 3.47Å |
| 306 | A | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | M301 D302 S304 K308 L309 L310 I325 F328 L329 | M301-A306 HydrophobicContact CG-CB 4.25Å; M301-A306 HydrophobicContact SD-CB 3.4Å; M301-A306 WeakPolarHBondContact SD-CB 3.47Å; D302-A306 PolarHBondContact O-N 3.05Å; S304-A306 VanDerWaalsContact C-N 3.34Å; S304-A306 PolarHBondContact O-N 3.38Å; A306-K308 PolarHBondContact O-N 2.78Å; A306-L309 PolarHBondContact O-N 2.87Å; A306-L310 PolarHBondContact O-N 3.19Å; A306-I325 HydrophobicContact CB-CG2 4.32Å; A306-I325 WeakPolarHBondContact O-CG2 3.42Å; A306-F328 HydrophobicContact CB-CD1 3.78Å; A306-F328 HydrophobicContact CB-CE1 3.73Å; A306-L329 HydrophobicContact CB-CD2 4.01Å; A306-L329 HydrophobicContact CB-CG 4.48Å |
| 307 | K | 93.5 | Very high | 88 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.8 | -70.6 | 166.5 | -154.6 | -177.4 | 0 | 111.9 | P303 S304 F305 L310 L311 L329 E349 L350 M353 | P303-K307 WeakPolarHBondContact O-CD 3.48Å; P303-K307 WeakPolarHBondContact O-CE 3.11Å; P303-K307 VanDerWaalsContact O-CG 3.23Å; P303-K307 WeakPolarHBondContact O-CG 3.25Å; P303-K307 PolarHBondContact O-N 2.95Å; P303-K307 VanDerWaalsContact O-N 3.1Å; S304-K307 PolarHBondContact O-N 3.36Å; F305-K307 PolarHBondContact O-N 3.12Å; K307-L310 WeakPolarHBondContact O-CB 3.29Å; K307-L310 PolarHBondContact O-N 2.9Å; K307-L311 PolarHBondContact O-N 3.24Å; K307-L329 HydrophobicContact CG-CD1 4.23Å; K307-L329 HydrophobicContact CG-CD2 4.37Å; K307-E349 HydrophobicContact CD-CB 4.2Å; K307-E349 IonicContact NZ-OE1 3.77Å; K307-E349 PolarHBondContact NZ-OE1 3.45Å; K307-E349 IonicContact NZ-OE2 3.86Å; K307-E349 PolarHBondContact NZ-OE2 3.47Å; K307-L350 HydrophobicContact CB-CD2 3.73Å; K307-L350 HydrophobicContact CG-CD2 4.15Å; K307-L350 WeakPolarHBondContact O-CD2 3.48Å; K307-M353 HydrophobicContact CB-CE 4.34Å; K307-M353 HydrophobicContact CB-SD 3.65Å; K307-M353 HydrophobicContact CD-CE 4.25Å |
| 308 | K | 92.7 | Very high | 88.6 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 174.7 | -66.3 | -169.1 | 177.3 | -160.8 | 0 | 111.9 | F266 S304 F305 A306 L310 L311 V312 M353 E356 I357 | F266-K308 HydrophobicContact CE1-CB 4.24Å; F266-K308 HydrophobicContact CE1-CD 4.4Å; F266-K308 HydrophobicContact CE2-CB 3.93Å; F266-K308 HydrophobicContact CZ-CB 3.61Å; S304-K308 PolarHBondContact O-N 3.27Å; S304-K308 VanDerWaalsContact O-N 3.1Å; F305-K308 PolarHBondContact O-N 2.69Å; A306-K308 PolarHBondContact O-N 2.78Å; K308-L310 VanDerWaalsContact C-N 3.27Å; K308-L310 PolarHBondContact O-N 3.4Å; K308-L311 PolarHBondContact O-N 3.12Å; K308-V312 WeakPolarHBondContact O-CG2 3.25Å; K308-V312 PolarHBondContact O-N 2.97Å; K308-V312 VanDerWaalsContact O-N 3.14Å; K308-M353 HydrophobicContact CG-CB 4.4Å; K308-M353 HydrophobicContact CG-CG 4.31Å; K308-M353 HydrophobicContact CG-SD 3.69Å; K308-E356 IonicContact NZ-OE2 2.6Å; K308-E356 PolarHBondContact NZ-OE2 3.38Å; K308-E356 VanDerWaalsContact NZ-OE2 3.09Å; K308-I357 HydrophobicContact CB-CD1 4.14Å; K308-I357 HydrophobicContact CG-CD1 4.23Å |
| 309 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -32.7 | 175.2 | -75.2 | 178.5 | 0 | 0 | 0 | 112.8 | F266 F269 I292 V296 M301 F305 A306 V312 S313 L321 I325 | F266-L309 HydrophobicContact CD2-CD2 4.48Å; F266-L309 HydrophobicContact CE2-CD2 3.99Å; F266-L309 HydrophobicContact CE2-CG 4.43Å; F269-L309 HydrophobicContact CD1-CD2 4.33Å; F269-L309 HydrophobicContact CE1-CD2 3.77Å; F269-L309 HydrophobicContact CZ-CD2 4.27Å; I292-L309 HydrophobicContact CD1-CD1 4.41Å; I292-L309 HydrophobicContact CD1-CD2 4.27Å; I292-L309 HydrophobicContact CG1-CD1 4.12Å; I292-L309 HydrophobicContact CG1-CD2 3.86Å; V296-L309 HydrophobicContact CG2-CD1 3.77Å; M301-L309 HydrophobicContact SD-CD1 4.46Å; F305-L309 HydrophobicContact CD1-CD1 3.77Å; F305-L309 HydrophobicContact CD1-CG 4.36Å; F305-L309 HydrophobicContact CE1-CD1 3.36Å; F305-L309 HydrophobicContact CE1-CG 4.04Å; F305-L309 HydrophobicContact CE2-CG 4.4Å; F305-L309 HydrophobicContact CZ-CD1 3.81Å; F305-L309 HydrophobicContact CZ-CD2 4.23Å; F305-L309 HydrophobicContact CZ-CG 4.06Å; F305-L309 PolarHBondContact O-N 3.47Å; A306-L309 PolarHBondContact O-N 2.87Å; L309-V312 PolarHBondContact O-N 2.54Å; L309-S313 VanDerWaalsContact O-CB 3.24Å; L309-S313 WeakPolarHBondContact O-CB 3.42Å; L309-S313 PolarHBondContact O-N 3.42Å; L309-S313 PolarHBondContact O-OG 3.49Å; L309-L321 HydrophobicContact CD2-CD2 4.42Å; L309-I325 HydrophobicContact CB-CD1 4.12Å; L309-I325 HydrophobicContact CB-CG1 4.23Å; L309-I325 HydrophobicContact CD1-CD1 4Å |
| 310 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 177 | -169.8 | 50 | 0 | 0 | 0 | 112.1 | A306 K307 K308 S313 E314 K322 I325 N326 L329 V370 L374 | A306-L310 PolarHBondContact O-N 3.19Å; K307-L310 WeakPolarHBondContact O-CB 3.29Å; K307-L310 PolarHBondContact O-N 2.9Å; K308-L310 VanDerWaalsContact C-N 3.27Å; K308-L310 PolarHBondContact O-N 3.4Å; L310-S313 WeakPolarHBondContact CA-OG 3.48Å; L310-S313 PolarHBondContact O-N 2.77Å; L310-S313 PolarHBondContact O-OG 3.31Å; L310-E314 PolarHBondContact O-N 2.63Å; L310-K322 HydrophobicContact CD1-CG 3.92Å; L310-I325 HydrophobicContact CB-CG2 3.67Å; L310-I325 HydrophobicContact CD1-CB 4.36Å; L310-I325 HydrophobicContact CD1-CG2 4.08Å; L310-I325 HydrophobicContact CD2-CG2 4.33Å; L310-I325 HydrophobicContact CG-CG2 4.24Å; L310-N326 WeakPolarHBondContact CD1-OD1 3.11Å; L310-L329 HydrophobicContact CD2-CD1 3.58Å; L310-V370 HydrophobicContact CD1-CG1 4.31Å; L310-V370 HydrophobicContact CD2-CG1 3.26Å; L310-V370 HydrophobicContact CG-CB 4.49Å; L310-V370 HydrophobicContact CG-CG1 3.45Å; L310-V370 VanDerWaalsContact CG-CG1 3.45Å; L310-V370 HydrophobicContact CG-CG2 4.2Å; L310-L374 HydrophobicContact CD2-CD1 3.96Å; L310-L374 HydrophobicContact CD2-CD2 4.38Å; L310-L374 HydrophobicContact CD2-CG 4.3Å |
| 311 | L | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.3 | -65.7 | 170.5 | 0 | 0 | 0 | 111.7 | K307 K308 K315 L350 M353 A354 I357 L366 V367 | K307-L311 PolarHBondContact O-N 3.24Å; K308-L311 PolarHBondContact O-N 3.12Å; L311-K315 WeakPolarHBondContact O-CB 3.34Å; L311-K315 PolarHBondContact O-N 3.01Å; L311-L350 HydrophobicContact CD1-CD2 4.05Å; L311-L350 HydrophobicContact CD2-CD2 4.03Å; L311-L350 HydrophobicContact CG-CD2 3.82Å; L311-M353 HydrophobicContact CD1-CB 4.04Å; L311-A354 HydrophobicContact CD1-CB 3.92Å; L311-A354 HydrophobicContact CD2-CB 4.4Å; L311-I357 HydrophobicContact CB-CD1 4.08Å; L311-I357 HydrophobicContact CD1-CD1 3.83Å; L311-L366 HydrophobicContact CD2-CD2 4.29Å; L311-L366 HydrophobicContact CD2-CG 4.31Å; L311-V367 HydrophobicContact CD2-CG2 3.99Å |
| 312 | V | 92.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 111 | F266 F269 V270 K308 L309 E314 K315 Y316 I357 | F266-V312 HydrophobicContact CE1-CG2 4.42Å; F266-V312 HydrophobicContact CE2-CG2 4.26Å; F266-V312 HydrophobicContact CZ-CG2 3.58Å; F269-V312 HydrophobicContact CD1-CG1 4.48Å; F269-V312 HydrophobicContact CE1-CG1 3.76Å; V270-V312 HydrophobicContact CG2-CG1 4.36Å; V270-V312 HydrophobicContact CG2-CG2 3.82Å; K308-V312 WeakPolarHBondContact O-CG2 3.25Å; K308-V312 PolarHBondContact O-N 2.97Å; K308-V312 VanDerWaalsContact O-N 3.14Å; L309-V312 PolarHBondContact O-N 2.54Å; V312-E314 PolarHBondContact O-N 3.12Å; V312-K315 PolarHBondContact O-N 3.39Å; V312-Y316 HydrophobicContact CG1-CD2 3.69Å; V312-Y316 HydrophobicContact CG1-CE2 3.98Å; V312-Y316 VanDerWaalsContact O-CD2 3.29Å; V312-Y316 WeakPolarHBondContact O-CD2 3.3Å; V312-Y316 PolarHBondContact O-N 2.9Å; V312-I357 HydrophobicContact CG2-CG2 4.48Å |
| 313 | S | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | -179.7 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | L309 L310 N317 L318 K322 | L309-S313 VanDerWaalsContact O-CB 3.24Å; L309-S313 WeakPolarHBondContact O-CB 3.42Å; L309-S313 PolarHBondContact O-N 3.42Å; L309-S313 PolarHBondContact O-OG 3.49Å; L310-S313 WeakPolarHBondContact CA-OG 3.48Å; L310-S313 PolarHBondContact O-N 2.77Å; L310-S313 PolarHBondContact O-OG 3.31Å; S313-N317 CarbonylContact O-C 3.55Å; S313-N317 WeakPolarHBondContact O-CA 3.44Å; S313-N317 PolarHBondContact O-N 3.31Å; S313-L318 PolarHBondContact O-N 3.03Å; S313-K322 WeakPolarHBondContact OG-CA 3.23Å; S313-K322 WeakPolarHBondContact OG-CB 3.24Å |
| 314 | E | 93.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 23% | 0.234 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 172.5 | 179.3 | 64.7 | -178 | 0 | 0 | 111.7 | L310 V312 Y316 N317 K322 L366 V370 | L310-E314 PolarHBondContact O-N 2.63Å; V312-E314 PolarHBondContact O-N 3.12Å; E314-Y316 PolarHBondContact O-N 3.26Å; E314-N317 PolarHBondContact O-N 3.19Å; E314-K322 IonicContact OE1-NZ 2.77Å; E314-K322 VanDerWaalsContact OE2-CD 3.22Å; E314-K322 WeakPolarHBondContact OE2-CD 3.42Å; E314-K322 WeakPolarHBondContact OE2-CE 3.39Å; E314-K322 IonicContact OE2-NZ 3.56Å; E314-K322 PolarHBondContact OE2-NZ 3.26Å; E314-L366 HydrophobicContact CB-CD1 3.76Å; E314-L366 HydrophobicContact CG-CD1 3.38Å; E314-V370 HydrophobicContact CB-CG2 3.76Å; E314-V370 HydrophobicContact CG-CG2 3.94Å |
| 315 | K | 90.6 | Very high | 93 | Very high | 88 Ų | 88 | 25.4 Ų | 25.4 | 38% | 0.383 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.8 | -43.3 | -176.3 | -179.4 | -179.3 | 176.4 | -166.3 | 0 | 113.1 | L311 V312 L366 | L311-K315 WeakPolarHBondContact O-CB 3.34Å; L311-K315 PolarHBondContact O-N 3.01Å; V312-K315 PolarHBondContact O-N 3.39Å; K315-L366 HydrophobicContact CB-CD1 4.15Å |
| 316 | Y | 91.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 11.9 | -175.3 | -58.8 | -78.3 | 0 | 0 | 0 | 113.4 | V270 V273 E274 T277 R285 V312 E314 | V270-Y316 HydrophobicContact CG1-CE2 4.41Å; V273-Y316 VanDerWaalsContact CG1-CB 3.42Å; V273-Y316 HydrophobicContact CG1-CD1 4.06Å; V273-Y316 HydrophobicContact CG1-CD2 3.76Å; V273-Y316 HydrophobicContact CG1-CG 3.49Å; V273-Y316 VanDerWaalsContact CG1-CG 3.49Å; E274-Y316 HydrophobicContact CB-CE1 3.69Å; E274-Y316 HydrophobicContact CG-CE1 3.93Å; E274-Y316 PolarHBondContact OE2-OH 2.98Å; T277-Y316 HydrophobicContact CG2-CD1 4.46Å; R285-Y316 PolarHBondContact NH1-O 2.92Å; V312-Y316 HydrophobicContact CG1-CD2 3.69Å; V312-Y316 HydrophobicContact CG1-CE2 3.98Å; V312-Y316 VanDerWaalsContact O-CD2 3.29Å; V312-Y316 WeakPolarHBondContact O-CD2 3.3Å; V312-Y316 PolarHBondContact O-N 2.9Å; E314-Y316 PolarHBondContact O-N 3.26Å |
| 317 | N | 91.8 | Very high | 93 | Very high | 76 Ų | 76 | 22.6 Ų | 22.6 | 41% | 0.406 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 51 | 179 | -160.7 | 66 | 0 | 0 | 0 | 113.3 | S313 E314 E319 | S313-N317 CarbonylContact O-C 3.55Å; S313-N317 WeakPolarHBondContact O-CA 3.44Å; S313-N317 PolarHBondContact O-N 3.31Å; E314-N317 PolarHBondContact O-N 3.19Å; N317-E319 PolarHBondContact ND2-OE1 3.45Å; N317-E319 PolarHBondContact O-N 3.35Å |
| 318 | L | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -90 | 74.6 | 171.1 | -50.7 | 179.7 | 0 | 0 | 0 | 108.6 | F269 V273 R285 E289 S313 I320 L321 K322 | F269-L318 HydrophobicContact CZ-CD1 4.09Å; V273-L318 HydrophobicContact CG1-CD1 4.2Å; V273-L318 HydrophobicContact CG1-CD2 4.31Å; V273-L318 HydrophobicContact CG2-CD1 4.29Å; R285-L318 HydrophobicContact CG-CD2 3.7Å; E289-L318 HydrophobicContact CB-CD2 4.39Å; E289-L318 HydrophobicContact CG-CB 4.2Å; E289-L318 VanDerWaalsContact OE1-CA 3.32Å; E289-L318 WeakPolarHBondContact OE1-CA 3.25Å; S313-L318 PolarHBondContact O-N 3.03Å; L318-I320 PolarHBondContact O-N 2.95Å; L318-L321 HydrophobicContact CB-CB 4.05Å; L318-L321 HydrophobicContact CB-CD2 4.39Å; L318-L321 HydrophobicContact CD1-CD2 3.9Å; L318-L321 PolarHBondContact O-N 3.22Å; L318-K322 WeakPolarHBondContact O-CB 3.43Å; L318-K322 PolarHBondContact O-N 3.35Å | ||
| 319 | E | 92.7 | Very high | 92.8 | Very high | 107 Ų | 107 | 21.1 Ų | 21.1 | 50% | 0.5 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -58.5 | -40.8 | -169.1 | -65.9 | 172.9 | -165.1 | 0 | 0 | 114.7 | E289 N317 M323 | E289-E319 PolarHBondContact OE1-N 3.3Å; E289-E319 VanDerWaalsContact OE1-N 3.14Å; N317-E319 PolarHBondContact ND2-OE1 3.45Å; N317-E319 PolarHBondContact O-N 3.35Å; E319-M323 WeakPolarHBondContact O-CB 3.42Å; E319-M323 PolarHBondContact O-N 3.33Å |
| 320 | I | 93.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 5% | 0.046 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.4 | -43.5 | -178.9 | -53.4 | -48.9 | 0 | 0 | 0 | 109.6 | P167 Y170 L171 E289 L318 M323 V324 | P167-I320 HydrophobicContact CB-CG2 4.16Å; P167-I320 WeakPolarHBondContact O-CG2 3.45Å; Y170-I320 VanDerWaalsContact CB-CD1 3.46Å; Y170-I320 HydrophobicContact CG-CD1 4.35Å; L171-I320 HydrophobicContact CD1-CG2 4.49Å; L171-I320 HydrophobicContact CD2-CB 4.12Å; L171-I320 HydrophobicContact CD2-CG1 3.7Å; L171-I320 HydrophobicContact CG-CB 4.37Å; L171-I320 HydrophobicContact CG-CG1 4.11Å; L171-I320 HydrophobicContact CG-CG2 4.29Å; E289-I320 WeakPolarHBondContact OE1-CA 3.37Å; E289-I320 WeakPolarHBondContact OE1-CB 3.29Å; E289-I320 PolarHBondContact OE1-N 2.93Å; L318-I320 PolarHBondContact O-N 2.95Å; I320-M323 HydrophobicContact CG2-CE 4.29Å; I320-M323 PolarHBondContact O-N 3.31Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.45Å; I320-V324 VanDerWaalsContact O-N 3.07Å |
| 321 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 174.2 | 179.3 | 61.6 | 0 | 0 | 0 | 110.9 | F269 E289 I292 V296 L309 L318 M323 V324 I325 | F269-L321 HydrophobicContact CZ-CD2 4.29Å; E289-L321 HydrophobicContact CG-CB 4.03Å; E289-L321 PolarHBondContact OE1-N 3.19Å; I292-L321 HydrophobicContact CG2-CD1 3.93Å; I292-L321 HydrophobicContact CG2-CD2 3.56Å; I292-L321 HydrophobicContact CG2-CG 4.27Å; V296-L321 HydrophobicContact CG2-CD1 4.36Å; L309-L321 HydrophobicContact CD2-CD2 4.42Å; L318-L321 HydrophobicContact CB-CB 4.05Å; L318-L321 HydrophobicContact CB-CD2 4.39Å; L318-L321 HydrophobicContact CD1-CD2 3.9Å; L318-L321 PolarHBondContact O-N 3.22Å; L321-M323 VanDerWaalsContact C-N 3.29Å; L321-M323 PolarHBondContact O-N 2.82Å; L321-V324 PolarHBondContact O-N 3.17Å; L321-I325 HydrophobicContact CD1-CD1 4.21Å; L321-I325 HydrophobicContact CD1-CG1 3.81Å; L321-I325 HydrophobicContact CG-CG1 4.16Å; L321-I325 WeakPolarHBondContact O-CB 3.49Å; L321-I325 WeakPolarHBondContact O-CG1 3.49Å; L321-I325 PolarHBondContact O-N 2.95Å |
| 322 | K | 94.8 | Very high | 92 | Very high | 38 Ų | 38 | 27 Ų | 27 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.1 | -46.4 | 177.6 | -177.6 | -175.4 | 172.2 | -173 | 0 | 111.1 | L310 S313 E314 L318 I325 N326 D373 | L310-K322 HydrophobicContact CD1-CG 3.92Å; S313-K322 WeakPolarHBondContact OG-CA 3.23Å; S313-K322 WeakPolarHBondContact OG-CB 3.24Å; E314-K322 IonicContact OE1-NZ 2.77Å; E314-K322 VanDerWaalsContact OE2-CD 3.22Å; E314-K322 WeakPolarHBondContact OE2-CD 3.42Å; E314-K322 WeakPolarHBondContact OE2-CE 3.39Å; E314-K322 IonicContact OE2-NZ 3.56Å; E314-K322 PolarHBondContact OE2-NZ 3.26Å; L318-K322 WeakPolarHBondContact O-CB 3.43Å; L318-K322 PolarHBondContact O-N 3.35Å; K322-I325 PolarHBondContact O-N 3.13Å; K322-N326 VanDerWaalsContact O-CB 3.26Å; K322-N326 WeakPolarHBondContact O-CB 3.4Å; K322-N326 PolarHBondContact O-N 3.42Å; K322-D373 WeakPolarHBondContact CE-OD2 3.41Å; K322-D373 IonicContact NZ-OD2 3.46Å; K322-D373 PolarHBondContact NZ-OD2 2.95Å |
| 323 | M | 92.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 27 Ų | 27 | 11% | 0.108 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.3 | -51.7 | 177.3 | 177.4 | -171.2 | 61 | 0 | 0 | 111.8 | V53 P89 Y170 E319 I320 L321 I325 N326 G327 | V53-M323 HydrophobicContact CB-CE 4.35Å; V53-M323 HydrophobicContact CB-SD 4.45Å; V53-M323 HydrophobicContact CG1-CE 4.04Å; V53-M323 HydrophobicContact CG1-SD 3.88Å; V53-M323 HydrophobicContact CG2-CE 3.86Å; P89-M323 HydrophobicContact CB-CE 4.01Å; P89-M323 HydrophobicContact CB-SD 3.64Å; P89-M323 HydrophobicContact CG-SD 4.06Å; Y170-M323 HydrophobicContact CD2-CE 4.29Å; E319-M323 WeakPolarHBondContact O-CB 3.42Å; E319-M323 PolarHBondContact O-N 3.33Å; I320-M323 HydrophobicContact CG2-CE 4.29Å; I320-M323 PolarHBondContact O-N 3.31Å; L321-M323 VanDerWaalsContact C-N 3.29Å; L321-M323 PolarHBondContact O-N 2.82Å; M323-I325 VanDerWaalsContact C-N 3.33Å; M323-I325 PolarHBondContact O-N 3.3Å; M323-N326 PolarHBondContact O-N 2.87Å; M323-G327 PolarHBondContact O-N 3.43Å |
| 324 | V | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | H52 P167 V296 I320 L321 G327 F328 | H52-V324 HydrophobicContact CB-CG1 4.28Å; H52-V324 WeakPolarHBondContact CB-O 3.42Å; P167-V324 HydrophobicContact CB-CG2 3.44Å; P167-V324 VanDerWaalsContact CB-CG2 3.44Å; P167-V324 HydrophobicContact CG-CG2 3.44Å; P167-V324 VanDerWaalsContact CG-CG2 3.44Å; V296-V324 HydrophobicContact CG1-CG1 3.53Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.45Å; I320-V324 VanDerWaalsContact O-N 3.07Å; L321-V324 PolarHBondContact O-N 3.17Å; V324-G327 PolarHBondContact O-N 2.94Å; V324-F328 WeakPolarHBondContact O-CB 3.23Å; V324-F328 PolarHBondContact O-N 3.41Å |
| 325 | I | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 179.9 | -61.6 | -65.9 | 0 | 0 | 0 | 111.6 | V296 M301 A306 L309 L310 L321 K322 M323 G327 F328 L329 | V296-I325 HydrophobicContact CG1-CD1 4.3Å; V296-I325 HydrophobicContact CG2-CD1 4.03Å; M301-I325 HydrophobicContact CE-CD1 3.64Å; M301-I325 HydrophobicContact SD-CD1 3.5Å; M301-I325 WeakPolarHBondContact SD-CD1 3.39Å; A306-I325 HydrophobicContact CB-CG2 4.32Å; A306-I325 WeakPolarHBondContact O-CG2 3.42Å; L309-I325 HydrophobicContact CB-CD1 4.12Å; L309-I325 HydrophobicContact CB-CG1 4.23Å; L309-I325 HydrophobicContact CD1-CD1 4Å; L310-I325 HydrophobicContact CB-CG2 3.67Å; L310-I325 HydrophobicContact CD1-CB 4.36Å; L310-I325 HydrophobicContact CD1-CG2 4.08Å; L310-I325 HydrophobicContact CD2-CG2 4.33Å; L310-I325 HydrophobicContact CG-CG2 4.24Å; L321-I325 HydrophobicContact CD1-CD1 4.21Å; L321-I325 HydrophobicContact CD1-CG1 3.81Å; L321-I325 HydrophobicContact CG-CG1 4.16Å; L321-I325 WeakPolarHBondContact O-CB 3.49Å; L321-I325 WeakPolarHBondContact O-CG1 3.49Å; L321-I325 PolarHBondContact O-N 2.95Å; K322-I325 PolarHBondContact O-N 3.13Å; M323-I325 VanDerWaalsContact C-N 3.33Å; M323-I325 PolarHBondContact O-N 3.3Å; I325-G327 VanDerWaalsContact C-N 3.32Å; I325-G327 PolarHBondContact O-N 2.88Å; I325-F328 PolarHBondContact O-N 3.43Å; I325-L329 HydrophobicContact CG2-CD1 4.35Å; I325-L329 WeakPolarHBondContact O-CG 3.38Å; I325-L329 PolarHBondContact O-N 3.09Å |
| 326 | N | 92.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 172.8 | -88.4 | -25 | 0 | 0 | 0 | 111.1 | L310 K322 M323 L329 V330 L374 L377 | L310-N326 WeakPolarHBondContact CD1-OD1 3.11Å; K322-N326 VanDerWaalsContact O-CB 3.26Å; K322-N326 WeakPolarHBondContact O-CB 3.4Å; K322-N326 PolarHBondContact O-N 3.42Å; M323-N326 PolarHBondContact O-N 2.87Å; N326-L329 PolarHBondContact O-N 3.03Å; N326-V330 WeakPolarHBondContact O-CB 3.16Å; N326-V330 VanDerWaalsContact O-CG2 3.23Å; N326-V330 WeakPolarHBondContact O-CG2 3.37Å; N326-V330 PolarHBondContact O-N 3.02Å; N326-L374 HydrophobicContact CB-CD2 4.46Å; N326-L374 VanDerWaalsContact OD1-CD2 3.31Å; N326-L374 WeakPolarHBondContact OD1-CD2 3.48Å; N326-L377 HydrophobicContact CB-CD2 4.04Å |
| 327 | G | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M323 V324 I325 L329 V330 D331 | M323-G327 PolarHBondContact O-N 3.43Å; V324-G327 PolarHBondContact O-N 2.94Å; I325-G327 VanDerWaalsContact C-N 3.32Å; I325-G327 PolarHBondContact O-N 2.88Å; G327-L329 PolarHBondContact O-N 2.89Å; G327-V330 PolarHBondContact O-N 3.05Å; G327-D331 VanDerWaalsContact O-CG 3.23Å; G327-D331 PolarHBondContact O-N 2.56Å |
| 328 | F | 90.7 | Very high | 90 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.4 | -48.8 | 177.8 | 175.9 | -101.2 | 0 | 0 | 0 | 112.4 | H52 M301 A306 V324 I325 D331 Q332 | H52-F328 AromaticContact CE1-CD2 3.95Å; H52-F328 WeakPolarHBondContact ND1-CA 3.49Å; M301-F328 HydrophobicContact CB-CE1 4.12Å; M301-F328 HydrophobicContact CB-CE2 4.15Å; M301-F328 HydrophobicContact CB-CZ 3.76Å; M301-F328 HydrophobicContact CE-CD1 4.28Å; M301-F328 HydrophobicContact CE-CD2 4.48Å; M301-F328 HydrophobicContact CE-CG 4.24Å; M301-F328 HydrophobicContact CG-CE1 4.45Å; M301-F328 VanDerWaalsContact O-CZ 3.26Å; M301-F328 WeakPolarHBondContact O-CZ 3.41Å; M301-F328 HydrophobicContact SD-CD1 4.32Å; M301-F328 HydrophobicContact SD-CE1 4.28Å; A306-F328 HydrophobicContact CB-CD1 3.78Å; A306-F328 HydrophobicContact CB-CE1 3.73Å; V324-F328 WeakPolarHBondContact O-CB 3.23Å; V324-F328 PolarHBondContact O-N 3.41Å; I325-F328 PolarHBondContact O-N 3.43Å; F328-D331 PolarHBondContact O-N 3.49Å; F328-Q332 PolarHBondContact O-N 3.04Å |
| 329 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 178.7 | -68.3 | -178.1 | 0 | 0 | 0 | 112.5 | A306 K307 L310 I325 N326 G327 D331 Q332 I333 L374 | A306-L329 HydrophobicContact CB-CD2 4.01Å; A306-L329 HydrophobicContact CB-CG 4.48Å; K307-L329 HydrophobicContact CG-CD1 4.23Å; K307-L329 HydrophobicContact CG-CD2 4.37Å; L310-L329 HydrophobicContact CD2-CD1 3.58Å; I325-L329 HydrophobicContact CG2-CD1 4.35Å; I325-L329 WeakPolarHBondContact O-CG 3.38Å; I325-L329 PolarHBondContact O-N 3.09Å; N326-L329 PolarHBondContact O-N 3.03Å; G327-L329 PolarHBondContact O-N 2.89Å; L329-D331 VanDerWaalsContact C-N 3.35Å; L329-Q332 WeakPolarHBondContact O-CB 3.05Å; L329-Q332 PolarHBondContact O-N 2.91Å; L329-I333 WeakPolarHBondContact O-CD1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 2.9Å; L329-L374 HydrophobicContact CB-CD2 3.97Å; L329-L374 HydrophobicContact CD1-CD1 4.27Å; L329-L374 HydrophobicContact CD1-CD2 4.38Å |
| 330 | V | 90.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | N326 G327 Q332 I333 I334 L374 L377 V381 | N326-V330 WeakPolarHBondContact O-CB 3.16Å; N326-V330 VanDerWaalsContact O-CG2 3.23Å; N326-V330 WeakPolarHBondContact O-CG2 3.37Å; N326-V330 PolarHBondContact O-N 3.02Å; G327-V330 PolarHBondContact O-N 3.05Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.35Å; V330-I333 PolarHBondContact O-N 2.9Å; V330-I334 HydrophobicContact CG1-CD1 3.54Å; V330-I334 HydrophobicContact CG1-CG1 4.18Å; V330-I334 WeakPolarHBondContact O-CB 3.08Å; V330-I334 VanDerWaalsContact O-CG1 3.28Å; V330-I334 WeakPolarHBondContact O-CG1 3.37Å; V330-I334 PolarHBondContact O-N 3.49Å; V330-L374 HydrophobicContact CG2-CD2 4.05Å; V330-L377 HydrophobicContact CB-CD2 4.49Å; V330-L377 HydrophobicContact CG1-CG 4.49Å; V330-L377 HydrophobicContact CG2-CB 4.01Å; V330-L377 HydrophobicContact CG2-CD2 3.86Å; V330-L377 HydrophobicContact CG2-CG 3.93Å; V330-V381 HydrophobicContact CG1-CB 4.17Å; V330-V381 HydrophobicContact CG1-CG1 4.47Å; V330-V381 HydrophobicContact CG1-CG2 4.16Å |
| 331 | D | 86.6 | Confident | 89.1 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 176 | -67.2 | -26.4 | 0 | 0 | 0 | 110.8 | H52 G327 F328 L329 G335 | H52-D331 IonicContact CE1-OD2 2.74Å; H52-D331 PolarHBondContact CE1-OD2 3.3Å; H52-D331 IonicContact ND1-OD2 3.41Å; H52-D331 PolarHBondContact ND1-OD2 3.23Å; G327-D331 VanDerWaalsContact O-CG 3.23Å; G327-D331 PolarHBondContact O-N 2.56Å; F328-D331 PolarHBondContact O-N 3.49Å; L329-D331 VanDerWaalsContact C-N 3.35Å; D331-G335 PolarHBondContact O-N 3.06Å |
| 332 | Q | 87.1 | Confident | 88.9 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 172.9 | -68 | -172.8 | 7.5 | 0 | 0 | 113 | F328 L329 V330 I334 G335 N336 | F328-Q332 PolarHBondContact O-N 3.04Å; L329-Q332 WeakPolarHBondContact O-CB 3.05Å; L329-Q332 PolarHBondContact O-N 2.91Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.35Å; Q332-I334 VanDerWaalsContact C-N 3.32Å; Q332-I334 PolarHBondContact O-N 3.38Å; Q332-G335 PolarHBondContact O-N 3.25Å; Q332-N336 PolarHBondContact O-N 2.99Å; Q332-N336 VanDerWaalsContact O-N 3.09Å |
| 333 | I | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 179 | -69.3 | 158.2 | 0 | 0 | 0 | 110.5 | L329 V330 N336 P339 E342 L343 I346 T378 | L329-I333 WeakPolarHBondContact O-CD1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.47Å; L329-I333 PolarHBondContact O-N 2.9Å; V330-I333 PolarHBondContact O-N 2.9Å; I333-N336 WeakPolarHBondContact O-CB 3.37Å; I333-N336 PolarHBondContact O-N 3.46Å; I333-P339 HydrophobicContact CG2-CB 3.97Å; I333-P339 VanDerWaalsContact O-CB 3.24Å; I333-P339 WeakPolarHBondContact O-CB 3.31Å; I333-P339 WeakPolarHBondContact O-CG 3.21Å; I333-E342 HydrophobicContact CG1-CG 4.19Å; I333-L343 HydrophobicContact CD1-CD1 3.98Å; I333-I346 HydrophobicContact CD1-CD1 3.68Å; I333-I346 HydrophobicContact CG1-CD1 3.43Å; I333-I346 VanDerWaalsContact CG1-CD1 3.43Å; I333-T378 HydrophobicContact CG2-CG2 3.75Å |
| 334 | I | 86.6 | Confident | 88.5 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.1 | -37.7 | -179.4 | -66.7 | 174.2 | 0 | 0 | 0 | 111.1 | V330 Q332 N336 T378 V381 R382 | V330-I334 HydrophobicContact CG1-CD1 3.54Å; V330-I334 HydrophobicContact CG1-CG1 4.18Å; V330-I334 WeakPolarHBondContact O-CB 3.08Å; V330-I334 VanDerWaalsContact O-CG1 3.28Å; V330-I334 WeakPolarHBondContact O-CG1 3.37Å; V330-I334 PolarHBondContact O-N 3.49Å; Q332-I334 VanDerWaalsContact C-N 3.32Å; Q332-I334 PolarHBondContact O-N 3.38Å; I334-N336 PolarHBondContact O-N 3.3Å; I334-T378 HydrophobicContact CG1-CG2 4.22Å; I334-V381 HydrophobicContact CD1-CB 3.75Å; I334-V381 HydrophobicContact CD1-CG1 3.55Å; I334-R382 HydrophobicContact CD1-CG 3.79Å; I334-R382 HydrophobicContact CG1-CG 3.78Å; I334-R382 HydrophobicContact CG2-CG 4.27Å |
| 335 | G | 84.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 72% | 0.722 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.2 | -16.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | D331 Q332 | D331-G335 PolarHBondContact O-N 3.06Å; Q332-G335 PolarHBondContact O-N 3.25Å |
| 336 | N | 87.7 | Confident | 88.2 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -74.4 | 143.1 | 178.9 | -163.2 | -58.4 | 0 | 0 | 0 | 112.3 | Q332 I333 I334 N338 P339 E342 | Q332-N336 PolarHBondContact O-N 2.99Å; Q332-N336 VanDerWaalsContact O-N 3.09Å; I333-N336 WeakPolarHBondContact O-CB 3.37Å; I333-N336 PolarHBondContact O-N 3.46Å; I334-N336 PolarHBondContact O-N 3.3Å; N336-N338 PolarHBondContact O-N 3.3Å; N336-N338 PolarHBondContact OD1-N 2.91Å; N336-P339 VanDerWaalsContact O-CD 3.32Å; N336-P339 WeakPolarHBondContact O-CD 3.27Å; N336-P339 WeakPolarHBondContact O-CG 3.42Å; N336-E342 HydrophobicContact CB-CB 4.17Å; N336-E342 HydrophobicContact CB-CG 4.22Å; N336-E342 PolarHBondContact ND2-OE2 3.38Å |
| 337 | S | 77.1 | Confident | 88.1 | Confident | 125 Ų | 125 | 46.9 Ų | 46.9 | 87% | 0.874 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -58 | -27.8 | 174.4 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 338 | N | 86.4 | Confident | 88.1 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | trans | -134.3 | 82 | 176.8 | -170.7 | -20.3 | 0 | 0 | 0 | 110.9 | N336 P340 K341 E342 | N336-N338 PolarHBondContact O-N 3.3Å; N336-N338 PolarHBondContact OD1-N 2.91Å; N338-P340 WeakPolarHBondContact OD1-CD 3.42Å; N338-K341 HydrophobicContact CB-CB 4.12Å; N338-K341 PolarHBondContact O-N 3.47Å; N338-K341 VanDerWaalsContact O-N 3.15Å; N338-K341 PolarHBondContact OD1-N 2.93Å; N338-E342 PolarHBondContact O-N 3.47Å | ||
| 339 | P | 85.4 | Confident | 88.2 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | -175.2 | -26.5 | 36.4 | 0 | 0 | 0 | 115.5 | I333 N336 K341 E342 L343 R382 | I333-P339 HydrophobicContact CG2-CB 3.97Å; I333-P339 VanDerWaalsContact O-CB 3.24Å; I333-P339 WeakPolarHBondContact O-CB 3.31Å; I333-P339 WeakPolarHBondContact O-CG 3.21Å; N336-P339 VanDerWaalsContact O-CD 3.32Å; N336-P339 WeakPolarHBondContact O-CD 3.27Å; N336-P339 WeakPolarHBondContact O-CG 3.42Å; P339-K341 VanDerWaalsContact C-N 3.34Å; P339-K341 PolarHBondContact O-N 3.48Å; P339-E342 PolarHBondContact O-N 2.83Å; P339-L343 WeakPolarHBondContact O-CB 3.28Å; P339-L343 PolarHBondContact O-N 3.27Å; P339-R382 VanDerWaalsContact CB-CZ 3.44Å |
| 340 | P | 87.1 | Confident | 88.1 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 173.1 | -25.7 | 34.6 | 0 | 0 | 0 | 113.6 | N338 V344 | N338-P340 WeakPolarHBondContact OD1-CD 3.42Å; P340-V344 WeakPolarHBondContact O-CG2 3.41Å; P340-V344 PolarHBondContact O-N 3.47Å |
| 341 | K | 88.9 | Confident | 88 | Confident | 130 Ų | 130 | 58.4 Ų | 58.4 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.6 | -42.3 | 178.2 | -174.6 | -177.3 | 178.2 | -173.2 | 0 | 111 | N338 P339 L343 V344 N345 | N338-K341 HydrophobicContact CB-CB 4.12Å; N338-K341 PolarHBondContact O-N 3.47Å; N338-K341 VanDerWaalsContact O-N 3.15Å; N338-K341 PolarHBondContact OD1-N 2.93Å; P339-K341 VanDerWaalsContact C-N 3.34Å; P339-K341 PolarHBondContact O-N 3.48Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 PolarHBondContact O-N 2.92Å; K341-V344 PolarHBondContact O-N 2.95Å; K341-N345 PolarHBondContact O-N 2.79Å |
| 342 | E | 89.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 178.3 | -170.4 | 56.2 | -154 | 0 | 0 | 111.9 | I333 N336 N338 P339 V344 N345 I346 | I333-E342 HydrophobicContact CG1-CG 4.19Å; N336-E342 HydrophobicContact CB-CB 4.17Å; N336-E342 HydrophobicContact CB-CG 4.22Å; N336-E342 PolarHBondContact ND2-OE2 3.38Å; N338-E342 PolarHBondContact O-N 3.47Å; P339-E342 PolarHBondContact O-N 2.83Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.37Å; E342-N345 WeakPolarHBondContact O-CB 2.98Å; E342-N345 PolarHBondContact O-N 2.7Å; E342-N345 VanDerWaalsContact O-N 3.17Å; E342-I346 HydrophobicContact CG-CD1 4.1Å; E342-I346 WeakPolarHBondContact O-CG1 3.01Å; E342-I346 PolarHBondContact O-N 3.25Å |
| 343 | L | 89.4 | Confident | 88.2 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.2 | -172.4 | 58.9 | 0 | 0 | 0 | 113 | I333 P339 K341 T347 L374 Q375 | I333-L343 HydrophobicContact CD1-CD1 3.98Å; P339-L343 WeakPolarHBondContact O-CB 3.28Å; P339-L343 PolarHBondContact O-N 3.27Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 PolarHBondContact O-N 2.92Å; L343-T347 WeakPolarHBondContact O-CB 3.38Å; L343-T347 PolarHBondContact O-N 3Å; L343-T347 PolarHBondContact O-OG1 3.26Å; L343-L374 HydrophobicContact CD1-CB 4.14Å; L343-Q375 HydrophobicContact CD1-CG 4.26Å; L343-Q375 HydrophobicContact CD2-CB 4.31Å; L343-Q375 HydrophobicContact CD2-CG 3.44Å; L343-Q375 VanDerWaalsContact CD2-CG 3.44Å; L343-Q375 HydrophobicContact CG-CG 4.1Å |
| 344 | V | 90.4 | Very high | 88 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 47% | 0.473 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111 | P340 K341 E342 T347 H348 | P340-V344 WeakPolarHBondContact O-CG2 3.41Å; P340-V344 PolarHBondContact O-N 3.47Å; K341-V344 PolarHBondContact O-N 2.95Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.37Å; V344-T347 WeakPolarHBondContact O-CB 3.33Å; V344-T347 PolarHBondContact O-N 3.36Å; V344-H348 PolarHBondContact O-CD2 2.85Å; V344-H348 PolarHBondContact O-N 2.92Å |
| 345 | N | 90.2 | Very high | 87.7 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -50 | 175.8 | -69.2 | -11.5 | 0 | 0 | 0 | 111.4 | K341 E342 T347 H348 E349 | K341-N345 PolarHBondContact O-N 2.79Å; E342-N345 WeakPolarHBondContact O-CB 2.98Å; E342-N345 PolarHBondContact O-N 2.7Å; E342-N345 VanDerWaalsContact O-N 3.17Å; N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.34Å; N345-H348 PolarHBondContact O-N 3.18Å; N345-H348 VanDerWaalsContact O-N 3.14Å; N345-E349 PolarHBondContact O-N 2.95Å |
| 346 | I | 90.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -40.7 | 177.1 | -68.4 | 170.4 | 0 | 0 | 0 | 110.7 | I333 E342 H348 E349 L350 L374 | I333-I346 HydrophobicContact CD1-CD1 3.68Å; I333-I346 HydrophobicContact CG1-CD1 3.43Å; I333-I346 VanDerWaalsContact CG1-CD1 3.43Å; E342-I346 HydrophobicContact CG-CD1 4.1Å; E342-I346 WeakPolarHBondContact O-CG1 3.01Å; E342-I346 PolarHBondContact O-N 3.25Å; I346-H348 PolarHBondContact O-N 3.38Å; I346-E349 PolarHBondContact O-N 2.91Å; I346-L350 HydrophobicContact CG2-CD1 3.77Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.48Å; I346-L350 VanDerWaalsContact O-CG 3.25Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.33Å; I346-L374 HydrophobicContact CG2-CD1 4.09Å |
| 347 | T | 89.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 17% | 0.172 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | L343 V344 N345 L350 Q351 V371 | L343-T347 WeakPolarHBondContact O-CB 3.38Å; L343-T347 PolarHBondContact O-N 3Å; L343-T347 PolarHBondContact O-OG1 3.26Å; V344-T347 WeakPolarHBondContact O-CB 3.33Å; V344-T347 PolarHBondContact O-N 3.36Å; N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.34Å; T347-L350 PolarHBondContact O-N 2.63Å; T347-Q351 WeakPolarHBondContact O-CG 3.37Å; T347-Q351 PolarHBondContact O-N 3.1Å; T347-V371 HydrophobicContact CG2-CG1 4.24Å; T347-V371 HydrophobicContact CG2-CG2 3.91Å; T347-V371 WeakPolarHBondContact OG1-CG1 3.49Å |
| 348 | H | 89.8 | Confident | 86.2 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.1 | -80 | -60.3 | 0 | 0 | 0 | 112.8 | V344 N345 I346 Q351 Q352 | V344-H348 PolarHBondContact O-CD2 2.85Å; V344-H348 PolarHBondContact O-N 2.92Å; N345-H348 PolarHBondContact O-N 3.18Å; N345-H348 VanDerWaalsContact O-N 3.14Å; I346-H348 PolarHBondContact O-N 3.38Å; H348-Q351 PolarHBondContact ND1-OE1 3.02Å; H348-Q351 WeakPolarHBondContact O-CB 3.28Å; H348-Q351 PolarHBondContact O-N 3.15Å; H348-Q352 PolarHBondContact O-N 3.24Å |
| 349 | E | 91.6 | Very high | 84.8 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.6 | -72.4 | 179.4 | -129.9 | 0 | 0 | 112.2 | K307 N345 I346 Q351 Q352 M353 | K307-E349 HydrophobicContact CD-CB 4.2Å; K307-E349 IonicContact NZ-OE1 3.77Å; K307-E349 PolarHBondContact NZ-OE1 3.45Å; K307-E349 IonicContact NZ-OE2 3.86Å; K307-E349 PolarHBondContact NZ-OE2 3.47Å; N345-E349 PolarHBondContact O-N 2.95Å; I346-E349 PolarHBondContact O-N 2.91Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.23Å; E349-Q352 PolarHBondContact O-N 3.09Å; E349-M353 HydrophobicContact CB-CE 4.36Å; E349-M353 WeakPolarHBondContact O-CB 3.22Å; E349-M353 VanDerWaalsContact O-CG 3.29Å; E349-M353 WeakPolarHBondContact O-CG 3.28Å; E349-M353 PolarHBondContact O-N 3.5Å |
| 350 | L | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.5 | -74.6 | 169.4 | 0 | 0 | 0 | 111.4 | K307 L311 I346 T347 A354 V367 V370 V371 L374 | K307-L350 HydrophobicContact CB-CD2 3.73Å; K307-L350 HydrophobicContact CG-CD2 4.15Å; K307-L350 WeakPolarHBondContact O-CD2 3.48Å; L311-L350 HydrophobicContact CD1-CD2 4.05Å; L311-L350 HydrophobicContact CD2-CD2 4.03Å; L311-L350 HydrophobicContact CG-CD2 3.82Å; I346-L350 HydrophobicContact CG2-CD1 3.77Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.48Å; I346-L350 VanDerWaalsContact O-CG 3.25Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.33Å; T347-L350 PolarHBondContact O-N 2.63Å; L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 3.26Å; L350-V367 HydrophobicContact CB-CG1 4.09Å; L350-V370 HydrophobicContact CD1-CG1 3.86Å; L350-V371 HydrophobicContact CD1-CG2 4.06Å; L350-L374 HydrophobicContact CD1-CD1 4.22Å |
| 351 | Q | 88.7 | Confident | 82.1 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 173.2 | -72.7 | 175.2 | -22.8 | 0 | 0 | 110.5 | T347 H348 E349 A354 H355 V367 | T347-Q351 WeakPolarHBondContact O-CG 3.37Å; T347-Q351 PolarHBondContact O-N 3.1Å; H348-Q351 PolarHBondContact ND1-OE1 3.02Å; H348-Q351 WeakPolarHBondContact O-CB 3.28Å; H348-Q351 PolarHBondContact O-N 3.15Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.23Å; Q351-A354 PolarHBondContact O-N 2.88Å; Q351-H355 PolarHBondContact O-N 3.16Å; Q351-H355 PolarHBondContact O-ND1 2.85Å; Q351-V367 HydrophobicContact CG-CG1 3.85Å |
| 352 | Q | 88.1 | Confident | 81.4 | Confident | 125 Ų | 125 | 77.7 Ų | 77.7 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.8 | -49.3 | 179.7 | -175.6 | 179.5 | -14 | 0 | 0 | 112.1 | H348 E349 A354 H355 E356 | H348-Q352 PolarHBondContact O-N 3.24Å; E349-Q352 PolarHBondContact O-N 3.09Å; Q352-A354 VanDerWaalsContact C-N 3.3Å; Q352-A354 PolarHBondContact O-N 3.03Å; Q352-H355 WeakPolarHBondContact O-CB 3.35Å; Q352-H355 PolarHBondContact O-N 3.47Å; Q352-E356 PolarHBondContact O-N 3.47Å |
| 353 | M | 89.1 | Confident | 81 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.7 | -33.1 | -179.1 | -69.1 | 177.9 | -168.7 | 0 | 0 | 112.7 | S304 K307 K308 L311 E349 H355 E356 I357 | S304-M353 WeakPolarHBondContact OG-CE 3.29Å; K307-M353 HydrophobicContact CB-CE 4.34Å; K307-M353 HydrophobicContact CB-SD 3.65Å; K307-M353 HydrophobicContact CD-CE 4.25Å; K308-M353 HydrophobicContact CG-CB 4.4Å; K308-M353 HydrophobicContact CG-CG 4.31Å; K308-M353 HydrophobicContact CG-SD 3.69Å; L311-M353 HydrophobicContact CD1-CB 4.04Å; E349-M353 HydrophobicContact CB-CE 4.36Å; E349-M353 WeakPolarHBondContact O-CB 3.22Å; E349-M353 VanDerWaalsContact O-CG 3.29Å; E349-M353 WeakPolarHBondContact O-CG 3.28Å; E349-M353 PolarHBondContact O-N 3.5Å; M353-H355 VanDerWaalsContact C-N 3.25Å; M353-H355 PolarHBondContact O-N 2.68Å; M353-E356 WeakPolarHBondContact O-CB 3.24Å; M353-E356 PolarHBondContact O-N 2.98Å; M353-E356 VanDerWaalsContact O-N 3.08Å; M353-I357 VanDerWaalsContact O-CG1 3.31Å; M353-I357 WeakPolarHBondContact O-CG1 3.21Å; M353-I357 PolarHBondContact O-N 2.94Å |
| 354 | A | 85.1 | Confident | 80.7 | Confident | 7 Ų | 7 | 84.8 Ų | 84.8 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L311 L350 Q351 Q352 I357 R358 I363 V367 | L311-A354 HydrophobicContact CD1-CB 3.92Å; L311-A354 HydrophobicContact CD2-CB 4.4Å; L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 3.26Å; Q351-A354 PolarHBondContact O-N 2.88Å; Q352-A354 VanDerWaalsContact C-N 3.3Å; Q352-A354 PolarHBondContact O-N 3.03Å; A354-I357 PolarHBondContact O-N 3.39Å; A354-R358 PolarHBondContact O-N 2.65Å; A354-I363 HydrophobicContact CB-CG2 3.56Å; A354-V367 HydrophobicContact CB-CG2 3.67Å |
| 355 | H | 81.3 | Confident | 80.5 | Confident | 122 Ų | 122 | 86 Ų | 86 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70.3 | -32.1 | 173 | -65.9 | 79.9 | 0 | 0 | 0 | 112.1 | Q351 Q352 M353 | Q351-H355 PolarHBondContact O-N 3.16Å; Q351-H355 PolarHBondContact O-ND1 2.85Å; Q352-H355 WeakPolarHBondContact O-CB 3.35Å; Q352-H355 PolarHBondContact O-N 3.47Å; M353-H355 VanDerWaalsContact C-N 3.25Å; M353-H355 PolarHBondContact O-N 2.68Å |
| 356 | E | 77.6 | Confident | 80.4 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 174.7 | -64.6 | 174.2 | -170.2 | 0 | 0 | 112.3 | K308 Q352 M353 | K308-E356 IonicContact NZ-OE2 2.6Å; K308-E356 PolarHBondContact NZ-OE2 3.38Å; K308-E356 VanDerWaalsContact NZ-OE2 3.09Å; Q352-E356 PolarHBondContact O-N 3.47Å; M353-E356 WeakPolarHBondContact O-CB 3.24Å; M353-E356 PolarHBondContact O-N 2.98Å; M353-E356 VanDerWaalsContact O-N 3.08Å |
| 357 | I | 75 | Confident | 80.4 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 17% | 0.169 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.1 | -24.9 | -178.5 | -66.9 | 167.6 | 0 | 0 | 0 | 111.4 | F266 K308 L311 V312 M353 A354 | F266-I357 HydrophobicContact CE1-CD1 4.5Å; F266-I357 HydrophobicContact CE1-CG1 4.34Å; F266-I357 HydrophobicContact CZ-CD1 4.43Å; K308-I357 HydrophobicContact CB-CD1 4.14Å; K308-I357 HydrophobicContact CG-CD1 4.23Å; L311-I357 HydrophobicContact CB-CD1 4.08Å; L311-I357 HydrophobicContact CD1-CD1 3.83Å; V312-I357 HydrophobicContact CG2-CG2 4.48Å; M353-I357 VanDerWaalsContact O-CG1 3.31Å; M353-I357 WeakPolarHBondContact O-CG1 3.21Å; M353-I357 PolarHBondContact O-N 2.94Å; A354-I357 PolarHBondContact O-N 3.39Å |
| 358 | R | 65.1 | Low | 80.4 | Confident | 124 Ų | 124 | 85.3 Ų | 85.3 | 47% | 0.468 | 42% | 0.417 | S | S | . | . | trans | -176.3 | 159.2 | 166 | -108 | 156.9 | -160.5 | -117.3 | 6.5 | 116 | E274 A354 | E274-R358 IonicContact OE1-CZ 3.63Å; E274-R358 VanDerWaalsContact OE1-CZ 3.22Å; E274-R358 IonicContact OE1-NH1 2.73Å; E274-R358 PolarHBondContact OE1-NH1 2.92Å; E274-R358 VanDerWaalsContact OE1-NH1 3.09Å; E274-R358 IonicContact OE1-NH2 3.36Å; E274-R358 PolarHBondContact OE1-NH2 3.46Å; E274-R358 IonicContact OE2-CZ 3.63Å; E274-R358 IonicContact OE2-NE 3.15Å; E274-R358 IonicContact OE2-NH1 2.97Å; E274-R358 IonicContact OE2-NH2 3.61Å; E274-R358 PolarHBondContact OE2-NH2 3.43Å; A354-R358 PolarHBondContact O-N 2.65Å | ||
| 359 | E | 56 | Low | 80.4 | Confident | 167 Ų | 167 | 81.4 Ų | 81.4 | 78% | 0.78 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -94.8 | 125.3 | 167.4 | -60.8 | 179.2 | 158.7 | 0 | 0 | 110.6 | ||
| 360 | N | 53.6 | Low | 80.5 | Confident | 145 Ų | 145 | 78.3 Ų | 78.3 | 78% | 0.775 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 71.2 | 128.2 | 171.3 | -49.5 | -36.8 | 0 | 0 | 0 | 116.6 | ||
| 361 | E | 61.7 | Low | 80.5 | Confident | 182 Ų | 182 | 78.8 Ų | 78.8 | 85% | 0.85 | 39% | 0.393 | S | S | * | . | S | Bend | cis | -131 | 164.9 | -6.4 | -67.9 | 179.1 | 145 | 0 | 0 | 106.7 | ||
| 362 | N | 75.5 | Confident | 80.7 | Confident | 106 Ų | 106 | 77.8 Ų | 77.8 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | trans | 79.3 | 22.3 | 172.1 | -137.8 | 20.4 | 0 | 0 | 0 | 118 | E364 N365 L366 | N362-E364 VanDerWaalsContact C-N 3.27Å; N362-E364 PolarHBondContact O-N 2.79Å; N362-N365 PolarHBondContact O-N 3Å; N362-N365 VanDerWaalsContact OD1-CB 3.23Å; N362-N365 WeakPolarHBondContact OD1-CB 3.36Å; N362-N365 PolarHBondContact OD1-ND2 2.87Å; N362-L366 PolarHBondContact O-N 3.37Å; N362-L366 VanDerWaalsContact O-N 3.07Å | ||
| 363 | I | 81.1 | Confident | 80.9 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.4 | -42.7 | 173.9 | -68 | 170.9 | 0 | 0 | 0 | 111.7 | A354 N365 L366 V367 | A354-I363 HydrophobicContact CB-CG2 3.56Å; I363-N365 VanDerWaalsContact C-N 3.33Å; I363-N365 PolarHBondContact O-N 3.36Å; I363-L366 PolarHBondContact O-N 3.5Å; I363-V367 HydrophobicContact CG2-CG2 4.09Å; I363-V367 WeakPolarHBondContact O-CB 3.49Å; I363-V367 WeakPolarHBondContact O-CG2 3.28Å; I363-V367 PolarHBondContact O-N 3.3Å |
| 364 | E | 83.3 | Confident | 81.1 | Confident | 173 Ų | 173 | 73.4 Ų | 73.4 | 81% | 0.808 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | -178.8 | -66.4 | -173.8 | 167.8 | 0 | 0 | 112.3 | N362 G368 | N362-E364 VanDerWaalsContact C-N 3.27Å; N362-E364 PolarHBondContact O-N 2.79Å; E364-G368 WeakPolarHBondContact O-CA 3.47Å; E364-G368 PolarHBondContact O-N 2.98Å |
| 365 | N | 86.6 | Confident | 81.4 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.7 | -39 | 177.2 | -75.2 | -20 | 0 | 0 | 0 | 111.6 | N362 I363 G368 A369 | N362-N365 PolarHBondContact O-N 3Å; N362-N365 VanDerWaalsContact OD1-CB 3.23Å; N362-N365 WeakPolarHBondContact OD1-CB 3.36Å; N362-N365 PolarHBondContact OD1-ND2 2.87Å; I363-N365 VanDerWaalsContact C-N 3.33Å; I363-N365 PolarHBondContact O-N 3.36Å; N365-G368 PolarHBondContact O-N 3.23Å; N365-A369 WeakPolarHBondContact O-CB 3.27Å; N365-A369 PolarHBondContact O-N 3.46Å |
| 366 | L | 88.3 | Confident | 81.8 | Confident | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -53.9 | 176.1 | 179.3 | 68.3 | 0 | 0 | 0 | 111.3 | L311 E314 K315 N362 I363 G368 A369 V370 | L311-L366 HydrophobicContact CD2-CD2 4.29Å; L311-L366 HydrophobicContact CD2-CG 4.31Å; E314-L366 HydrophobicContact CB-CD1 3.76Å; E314-L366 HydrophobicContact CG-CD1 3.38Å; K315-L366 HydrophobicContact CB-CD1 4.15Å; N362-L366 PolarHBondContact O-N 3.37Å; N362-L366 VanDerWaalsContact O-N 3.07Å; I363-L366 PolarHBondContact O-N 3.5Å; L366-G368 VanDerWaalsContact C-N 3.32Å; L366-G368 PolarHBondContact O-N 2.88Å; L366-A369 PolarHBondContact O-N 3.2Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.28Å |
| 367 | V | 89.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.9 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | L311 L350 Q351 A354 I363 A369 V370 V371 | L311-V367 HydrophobicContact CD2-CG2 3.99Å; L350-V367 HydrophobicContact CB-CG1 4.09Å; Q351-V367 HydrophobicContact CG-CG1 3.85Å; A354-V367 HydrophobicContact CB-CG2 3.67Å; I363-V367 HydrophobicContact CG2-CG2 4.09Å; I363-V367 WeakPolarHBondContact O-CB 3.49Å; I363-V367 WeakPolarHBondContact O-CG2 3.28Å; I363-V367 PolarHBondContact O-N 3.3Å; V367-A369 PolarHBondContact O-N 2.94Å; V367-V370 PolarHBondContact O-N 3.45Å; V367-V371 HydrophobicContact CG1-CG2 3.9Å; V367-V371 VanDerWaalsContact O-CB 3.31Å; V367-V371 WeakPolarHBondContact O-CB 3.43Å; V367-V371 WeakPolarHBondContact O-CG2 3.3Å; V367-V371 PolarHBondContact O-N 3.43Å |
| 368 | G | 89.5 | Confident | 82.9 | Confident | 32 Ų | 32 | 68 Ų | 68 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E364 N365 L366 T372 | E364-G368 WeakPolarHBondContact O-CA 3.47Å; E364-G368 PolarHBondContact O-N 2.98Å; N365-G368 PolarHBondContact O-N 3.23Å; L366-G368 VanDerWaalsContact C-N 3.32Å; L366-G368 PolarHBondContact O-N 2.88Å; G368-T372 VanDerWaalsContact O-CB 3.31Å; G368-T372 WeakPolarHBondContact O-CB 3.42Å; G368-T372 PolarHBondContact O-N 3.41Å; G368-T372 PolarHBondContact O-OG1 2.86Å |
| 369 | A | 90.6 | Very high | 83.9 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.1 | -53 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N365 L366 V367 V371 T372 D373 | N365-A369 WeakPolarHBondContact O-CB 3.27Å; N365-A369 PolarHBondContact O-N 3.46Å; L366-A369 PolarHBondContact O-N 3.2Å; V367-A369 PolarHBondContact O-N 2.94Å; A369-V371 PolarHBondContact O-N 3.19Å; A369-T372 WeakPolarHBondContact O-CB 3.34Å; A369-T372 PolarHBondContact O-N 2.85Å; A369-D373 PolarHBondContact O-N 2.9Å |
| 370 | V | 92.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 178.8 | 168.5 | 0 | 0 | 0 | 0 | 112.3 | L310 E314 L350 L366 V367 T372 D373 L374 | L310-V370 HydrophobicContact CD1-CG1 4.31Å; L310-V370 HydrophobicContact CD2-CG1 3.26Å; L310-V370 HydrophobicContact CG-CB 4.49Å; L310-V370 HydrophobicContact CG-CG1 3.45Å; L310-V370 VanDerWaalsContact CG-CG1 3.45Å; L310-V370 HydrophobicContact CG-CG2 4.2Å; E314-V370 HydrophobicContact CB-CG2 3.76Å; E314-V370 HydrophobicContact CG-CG2 3.94Å; L350-V370 HydrophobicContact CD1-CG1 3.86Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.28Å; V367-V370 PolarHBondContact O-N 3.45Å; V370-T372 VanDerWaalsContact C-N 3.32Å; V370-T372 PolarHBondContact O-N 3.04Å; V370-D373 PolarHBondContact O-N 3.42Å; V370-L374 HydrophobicContact CG1-CD1 4.23Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 2.9Å |
| 371 | V | 92.6 | Very high | 86.7 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -36.8 | -179.3 | 169.4 | 0 | 0 | 0 | 0 | 111 | T347 L350 V367 A369 L374 Q375 | T347-V371 HydrophobicContact CG2-CG1 4.24Å; T347-V371 HydrophobicContact CG2-CG2 3.91Å; T347-V371 WeakPolarHBondContact OG1-CG1 3.49Å; L350-V371 HydrophobicContact CD1-CG2 4.06Å; V367-V371 HydrophobicContact CG1-CG2 3.9Å; V367-V371 VanDerWaalsContact O-CB 3.31Å; V367-V371 WeakPolarHBondContact O-CB 3.43Å; V367-V371 WeakPolarHBondContact O-CG2 3.3Å; V367-V371 PolarHBondContact O-N 3.43Å; A369-V371 PolarHBondContact O-N 3.19Å; V371-L374 PolarHBondContact O-N 3.16Å; V371-Q375 HydrophobicContact CG1-CG 4.34Å; V371-Q375 VanDerWaalsContact O-CB 3.32Å; V371-Q375 WeakPolarHBondContact O-CB 3.29Å; V371-Q375 WeakPolarHBondContact O-CG 3.37Å; V371-Q375 PolarHBondContact O-N 2.97Å |
| 372 | T | 93.1 | Very high | 86.9 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 174.6 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | G368 A369 V370 L374 Q375 E376 | G368-T372 VanDerWaalsContact O-CB 3.31Å; G368-T372 WeakPolarHBondContact O-CB 3.42Å; G368-T372 PolarHBondContact O-N 3.41Å; G368-T372 PolarHBondContact O-OG1 2.86Å; A369-T372 WeakPolarHBondContact O-CB 3.34Å; A369-T372 PolarHBondContact O-N 2.85Å; V370-T372 VanDerWaalsContact C-N 3.32Å; V370-T372 PolarHBondContact O-N 3.04Å; T372-L374 PolarHBondContact O-N 3.06Å; T372-Q375 WeakPolarHBondContact O-CB 3.33Å; T372-Q375 PolarHBondContact O-N 3.36Å; T372-E376 HydrophobicContact CG2-CG 4.43Å; T372-E376 WeakPolarHBondContact O-CB 3.23Å; T372-E376 WeakPolarHBondContact O-CG 3.36Å; T372-E376 PolarHBondContact O-N 2.75Å |
| 373 | D | 91.7 | Very high | 86.1 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 178 | -68.9 | -11.5 | 0 | 0 | 0 | 111.8 | K322 A369 V370 Q375 E376 L377 | K322-D373 WeakPolarHBondContact CE-OD2 3.41Å; K322-D373 IonicContact NZ-OD2 3.46Å; K322-D373 PolarHBondContact NZ-OD2 2.95Å; A369-D373 PolarHBondContact O-N 2.9Å; V370-D373 PolarHBondContact O-N 3.42Å; D373-Q375 PolarHBondContact O-N 3.48Å; D373-E376 PolarHBondContact O-N 2.93Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.37Å; D373-L377 PolarHBondContact O-N 3.45Å |
| 374 | L | 92.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.2 | -73.7 | 175.6 | 0 | 0 | 0 | 111.9 | L310 N326 L329 V330 L343 I346 L350 V370 V371 T372 T378 | L310-L374 HydrophobicContact CD2-CD1 3.96Å; L310-L374 HydrophobicContact CD2-CD2 4.38Å; L310-L374 HydrophobicContact CD2-CG 4.3Å; N326-L374 HydrophobicContact CB-CD2 4.46Å; N326-L374 VanDerWaalsContact OD1-CD2 3.31Å; N326-L374 WeakPolarHBondContact OD1-CD2 3.48Å; L329-L374 HydrophobicContact CB-CD2 3.97Å; L329-L374 HydrophobicContact CD1-CD1 4.27Å; L329-L374 HydrophobicContact CD1-CD2 4.38Å; V330-L374 HydrophobicContact CG2-CD2 4.05Å; L343-L374 HydrophobicContact CD1-CB 4.14Å; I346-L374 HydrophobicContact CG2-CD1 4.09Å; L350-L374 HydrophobicContact CD1-CD1 4.22Å; V370-L374 HydrophobicContact CG1-CD1 4.23Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 2.9Å; V371-L374 PolarHBondContact O-N 3.16Å; T372-L374 PolarHBondContact O-N 3.06Å; L374-T378 WeakPolarHBondContact O-CB 3.35Å; L374-T378 PolarHBondContact O-N 3.09Å; L374-T378 PolarHBondContact O-OG1 3.32Å |
| 375 | Q | 91 | Very high | 83.7 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -45.5 | 177 | -80.1 | 176.3 | 18 | 0 | 0 | 111.8 | L343 V371 T372 D373 R379 | L343-Q375 HydrophobicContact CD1-CG 4.26Å; L343-Q375 HydrophobicContact CD2-CB 4.31Å; L343-Q375 HydrophobicContact CD2-CG 3.44Å; L343-Q375 VanDerWaalsContact CD2-CG 3.44Å; L343-Q375 HydrophobicContact CG-CG 4.1Å; V371-Q375 HydrophobicContact CG1-CG 4.34Å; V371-Q375 VanDerWaalsContact O-CB 3.32Å; V371-Q375 WeakPolarHBondContact O-CB 3.29Å; V371-Q375 WeakPolarHBondContact O-CG 3.37Å; V371-Q375 PolarHBondContact O-N 2.97Å; T372-Q375 WeakPolarHBondContact O-CB 3.33Å; T372-Q375 PolarHBondContact O-N 3.36Å; D373-Q375 PolarHBondContact O-N 3.48Å; Q375-R379 WeakPolarHBondContact O-CG 3.44Å; Q375-R379 PolarHBondContact O-N 3.16Å |
| 376 | E | 90 | Very high | 82.4 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -50.1 | 179.8 | -72.1 | -164.4 | 171.5 | 0 | 0 | 111.5 | T372 D373 T378 R379 R380 | T372-E376 HydrophobicContact CG2-CG 4.43Å; T372-E376 WeakPolarHBondContact O-CB 3.23Å; T372-E376 WeakPolarHBondContact O-CG 3.36Å; T372-E376 PolarHBondContact O-N 2.75Å; D373-E376 PolarHBondContact O-N 2.93Å; E376-T378 PolarHBondContact O-N 2.96Å; E376-R379 PolarHBondContact O-N 2.71Å; E376-R379 VanDerWaalsContact O-N 3.14Å; E376-R380 VanDerWaalsContact O-CG 3.26Å; E376-R380 WeakPolarHBondContact O-CG 3.27Å; E376-R380 PolarHBondContact O-N 3.12Å; E376-R380 VanDerWaalsContact O-N 3.11Å; E376-R380 IonicContact OE2-CZ 3.13Å; E376-R380 IonicContact OE2-NH2 2.8Å; E376-R380 PolarHBondContact OE2-NH2 2.66Å |
| 377 | L | 88.3 | Confident | 80.6 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | -179 | -171.3 | 59.3 | 0 | 0 | 0 | 111.7 | Q54 N326 V330 D373 R379 R380 V381 | Q54-L377 HydrophobicContact CB-CD1 4.17Å; Q54-L377 HydrophobicContact CG-CD1 3.98Å; Q54-L377 HydrophobicContact CG-CD2 4.27Å; N326-L377 HydrophobicContact CB-CD2 4.04Å; V330-L377 HydrophobicContact CB-CD2 4.49Å; V330-L377 HydrophobicContact CG1-CG 4.49Å; V330-L377 HydrophobicContact CG2-CB 4.01Å; V330-L377 HydrophobicContact CG2-CD2 3.86Å; V330-L377 HydrophobicContact CG2-CG 3.93Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.37Å; D373-L377 PolarHBondContact O-N 3.45Å; L377-R379 VanDerWaalsContact C-N 3.27Å; L377-R379 PolarHBondContact O-N 2.75Å; L377-R380 PolarHBondContact O-N 2.76Å; L377-V381 HydrophobicContact CD1-CG2 3.96Å; L377-V381 HydrophobicContact CG-CG2 4.14Å; L377-V381 WeakPolarHBondContact O-CG2 3.44Å; L377-V381 PolarHBondContact O-N 3.03Å |
| 378 | T | 88.6 | Confident | 78.2 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -40 | 175 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | I333 I334 L374 E376 R380 R382 | I333-T378 HydrophobicContact CG2-CG2 3.75Å; I334-T378 HydrophobicContact CG1-CG2 4.22Å; L374-T378 WeakPolarHBondContact O-CB 3.35Å; L374-T378 PolarHBondContact O-N 3.09Å; L374-T378 PolarHBondContact O-OG1 3.32Å; E376-T378 PolarHBondContact O-N 2.96Å; T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R382 WeakPolarHBondContact O-CG 3.25Å |
| 379 | R | 86.3 | Confident | 75.3 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.7 | -31.7 | 176.6 | -72.5 | -172.5 | -139 | 105.1 | -1 | 112.6 | Q375 E376 L377 | Q375-R379 WeakPolarHBondContact O-CG 3.44Å; Q375-R379 PolarHBondContact O-N 3.16Å; E376-R379 PolarHBondContact O-N 2.71Å; E376-R379 VanDerWaalsContact O-N 3.14Å; L377-R379 VanDerWaalsContact C-N 3.27Å; L377-R379 PolarHBondContact O-N 2.75Å |
| 380 | R | 85.4 | Confident | 72.5 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.2 | -43.1 | -177.1 | -64.5 | 167.8 | -165.1 | -174.4 | 6.4 | 111.8 | P45 S47 T56 E87 E376 L377 T378 | P45-R380 HydrophobicContact CB-CG 4.43Å; S47-R380 PolarHBondContact N-O 2.92Å; S47-R380 WeakPolarHBondContact OG-CB 3.31Å; S47-R380 WeakPolarHBondContact OG-CD 3.1Å; T56-R380 PolarHBondContact OG1-NH1 3.41Å; T56-R380 VanDerWaalsContact OG1-NH1 3.16Å; E87-R380 IonicContact OE2-CZ 2.58Å; E87-R380 IonicContact OE2-NH1 2.62Å; E87-R380 PolarHBondContact OE2-NH1 3.03Å; E87-R380 IonicContact OE2-NH2 3.09Å; E376-R380 VanDerWaalsContact O-CG 3.26Å; E376-R380 WeakPolarHBondContact O-CG 3.27Å; E376-R380 PolarHBondContact O-N 3.12Å; E376-R380 VanDerWaalsContact O-N 3.11Å; E376-R380 IonicContact OE2-CZ 3.13Å; E376-R380 IonicContact OE2-NH2 2.8Å; E376-R380 PolarHBondContact OE2-NH2 2.66Å; L377-R380 PolarHBondContact O-N 2.76Å; T378-R380 VanDerWaalsContact C-N 3.34Å |
| 381 | V | 82 | Confident | 69.4 | Low | 16 Ų | 16 | 66.8 Ų | 66.8 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -175.9 | 174.2 | 0 | 0 | 0 | 0 | 112.9 | V330 I334 L377 R383 V384 | V330-V381 HydrophobicContact CG1-CB 4.17Å; V330-V381 HydrophobicContact CG1-CG1 4.47Å; V330-V381 HydrophobicContact CG1-CG2 4.16Å; I334-V381 HydrophobicContact CD1-CB 3.75Å; I334-V381 HydrophobicContact CD1-CG1 3.55Å; L377-V381 HydrophobicContact CD1-CG2 3.96Å; L377-V381 HydrophobicContact CG-CG2 4.14Å; L377-V381 WeakPolarHBondContact O-CG2 3.44Å; L377-V381 PolarHBondContact O-N 3.03Å; V381-R383 PolarHBondContact O-N 3.45Å; V381-V384 PolarHBondContact O-N 3.41Å; V381-V384 VanDerWaalsContact O-N 3.12Å |
| 382 | R | 65.4 | Low | 66.3 | Low | 115 Ų | 115 | 75.9 Ų | 75.9 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -10.5 | 178.5 | -75.2 | -174.3 | -160.7 | 164.3 | 18.4 | 115.5 | I334 P339 T378 | I334-R382 HydrophobicContact CD1-CG 3.79Å; I334-R382 HydrophobicContact CG1-CG 3.78Å; I334-R382 HydrophobicContact CG2-CG 4.27Å; P339-R382 VanDerWaalsContact CB-CZ 3.44Å; T378-R382 WeakPolarHBondContact O-CG 3.25Å |
| 383 | R | 59.5 | Low | 63.1 | Low | 94 Ų | 94 | 78.2 Ų | 78.2 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 4.5 | -176 | -61.7 | -168.6 | -178.1 | 124.3 | 7.5 | 114.3 | H22 V381 | H22-R383 PolarHBondContact ND1-O 3.43Å; V381-R383 PolarHBondContact O-N 3.45Å |
| 384 | V | 55.1 | Low | 60 | Low | 25 Ų | 25 | 80.6 Ų | 80.6 | 15% | 0.152 | 44% | 0.436 | C | S | . | . | trans | -120.4 | 121.1 | -179 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | F20 Q21 H22 F46 S47 T48 V381 | F20-V384 HydrophobicContact CB-CG1 3.79Å; F20-V384 HydrophobicContact CD1-CG1 3.94Å; F20-V384 HydrophobicContact CG-CG1 4.34Å; Q21-V384 WeakPolarHBondContact O-CA 3.47Å; H22-V384 HydrophobicContact CB-CG2 4.49Å; F46-V384 HydrophobicContact CB-CG2 4.06Å; F46-V384 HydrophobicContact CD2-CG2 3.72Å; F46-V384 HydrophobicContact CG-CG2 4.36Å; S47-V384 WeakPolarHBondContact O-CB 3.23Å; S47-V384 WeakPolarHBondContact O-CG2 3.32Å; T48-V384 HydrophobicContact CG2-CG1 4.32Å; V381-V384 PolarHBondContact O-N 3.41Å; V381-V384 VanDerWaalsContact O-N 3.12Å | ||
| 385 | S | 59 | Low | 56.9 | Low | 77 Ų | 77 | 89.9 Ų | 89.9 | 54% | 0.538 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.9 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | Q21 | Q21-S385 PolarHBondContact N-O 3.16Å; Q21-S385 PolarHBondContact O-N 3.32Å |
| 386 | L | 58.6 | Low | 53.8 | Low | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.2 | 168.7 | -72.5 | 166.6 | 0 | 0 | 0 | 108.4 | I18 F20 Y50 | I18-L386 HydrophobicContact CG2-CD2 3.69Å; F20-L386 HydrophobicContact CD1-CD2 3.54Å; F20-L386 HydrophobicContact CD1-CG 4.46Å; F20-L386 HydrophobicContact CE1-CD2 3.27Å; F20-L386 HydrophobicContact CE1-CG 4.35Å; F20-L386 HydrophobicContact CG-CD2 4.4Å; F20-L386 HydrophobicContact CZ-CD2 3.94Å; Y50-L386 HydrophobicContact CD2-CD1 4.48Å |
| 387 | S | 50.5 | Low | 50.6 | Low | 40 Ų | 40 | 94.3 Ų | 94.3 | 28% | 0.28 | 53% | 0.525 | S | S | . | . | trans | -98 | 112.3 | 171.3 | 49.9 | 0 | 0 | 0 | 0 | 109.2 | S19 S389 | S19-S387 WeakPolarHBondContact CB-OG 3.25Å; S19-S387 PolarHBondContact O-N 3.15Å; S19-S387 PolarHBondContact OG-OG 3.38Å; S387-S389 PolarHBondContact O-N 3.21Å | ||
| 388 | H | 38.9 | Very low | 47.7 | Very low | 174 Ų | 174 | 99.3 Ų | 99.3 | 81% | 0.806 | 56% | 0.562 | S | S | * | * | trans | -75.2 | 110.9 | 163 | -68.1 | -64.9 | 0 | 0 | 0 | 107.5 | P390 | H388-P390 VanDerWaalsContact O-CD 3.23Å; H388-P390 WeakPolarHBondContact O-CD 3.25Å | ||
| 389 | S | 28.8 | Very low | 45.1 | Very low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | trans | -61.2 | 118.8 | 171.4 | -66.2 | 0 | 0 | 0 | 0 | 108.6 | S387 S391 | S387-S389 PolarHBondContact O-N 3.21Å; S389-S391 PolarHBondContact O-N 3.43Å | ||
| 390 | P | 31.7 | Very low | 42.2 | Very low | 116 Ų | 116 | 107.3 Ų | 107.3 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | trans | -68.9 | 120.2 | 167 | 26.9 | -28.6 | 0 | 0 | 0 | 107.5 | H388 Q392 | H388-P390 VanDerWaalsContact O-CD 3.23Å; H388-P390 WeakPolarHBondContact O-CD 3.25Å; P390-Q392 PolarHBondContact O-N 2.93Å; P390-Q392 VanDerWaalsContact O-N 3.07Å | ||
| 391 | S | 27 | Very low | 39.4 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | trans | -53.9 | 115.4 | 165.9 | 27.5 | 0 | 0 | 0 | 0 | 108.3 | S389 S393 | S389-S391 PolarHBondContact O-N 3.43Å; S391-S393 PolarHBondContact O-N 3.22Å; S391-S393 VanDerWaalsContact O-N 3.12Å | ||
| 392 | Q | 28.5 | Very low | 36.8 | Very low | 202 Ų | 202 | 115.3 Ų | 115.3 | 94% | 0.944 | 68% | 0.681 | S | S | * | * | trans | -63.9 | 111.5 | 176.1 | -69.2 | -177.6 | -0.9 | 0 | 0 | 109.1 | P390 | P390-Q392 PolarHBondContact O-N 2.93Å; P390-Q392 VanDerWaalsContact O-N 3.07Å | ||
| 393 | S | 26.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -125.3 | 113.8 | 148.4 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | S391 | S391-S393 PolarHBondContact O-N 3.22Å; S391-S393 VanDerWaalsContact O-N 3.12Å | ||
| 394 | S | 26.5 | Very low | 33.9 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | -58.7 | 133.2 | 177.2 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 395 | H | 27.4 | Very low | 32.5 | Very low | 195 Ų | 195 | 124.1 Ų | 124.1 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | trans | -155.7 | 130 | 133.1 | -85.2 | -53.8 | 0 | 0 | 0 | 111.2 | ||||
| 396 | S | 25.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -76.3 | 142.7 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 397 | S | 24.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -171.5 | 134.6 | 129.6 | 20 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 398 | S | 25.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -82.3 | -172.2 | -176.8 | -39.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 399 | P | 35.3 | Very low | 27.6 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | -104.8 | 165.2 | -122.8 | 34.8 | -16.4 | 0 | 0 | 0 | 114.2 | |||||
| 400 | L | 24.2 | Very low | 27.8 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -147.1 | 146.8 | 160.1 | -136.8 | 83.4 | 0 | 0 | 0 | 112.6 | ||||
| 401 | A | 26.6 | Very low | 27.5 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | -76.5 | 159 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 402 | T | 27.4 | Very low | 27.6 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -41.6 | 178.4 | 162.9 | 34.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 403 | P | 38 | Very low | 27.5 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | cis | -136.9 | 176.1 | -9.8 | 27.9 | -4.9 | 0 | 0 | 0 | 114.5 | ||||
| 404 | T | 26.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | 176 | 152 | 129 | 26.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 405 | N | 26.1 | Very low | 27.7 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 157.1 | -176.6 | -69.6 | -32.6 | 0 | 0 | 0 | 116.6 | ||||
| 406 | G | 25.3 | Very low | 27.6 | Very low | 81 Ų | 81 | 122.8 Ų | 122.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -179.2 | 112.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 407 | S | 25.8 | Very low | 27.5 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | -71.2 | 151.2 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 408 | G | 25.1 | Very low | 27.6 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 165.6 | 101.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 409 | S | 26.9 | Very low | 27.7 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -90 | 179.6 | 166.2 | -43.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 410 | P | 32.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -109.4 | 153.3 | -111.3 | 29.8 | -10.5 | 0 | 0 | 0 | 113.5 | |||||
| 411 | S | 24.8 | Very low | 27.3 | Very low | 117 Ų | 117 | 121 Ų | 121 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -106.3 | 118 | 169.9 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 412 | V | 30.6 | Very low | 27.4 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -78.7 | 142.1 | 159.8 | 176 | 0 | 0 | 0 | 0 | 108 | ||||
| 413 | P | 25.5 | Very low | 27.3 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | -127.5 | 145.2 | 125.7 | 7.4 | 13.7 | 0 | 0 | 0 | 112.4 | |||||
| 414 | A | 26 | Very low | 26.8 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | -86.5 | -163.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 415 | P | 32.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | -106.5 | 155.7 | -116.5 | 30.4 | -11.1 | 0 | 0 | 0 | 112.9 | |||||
| 416 | F | 24.9 | Very low | 26.9 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -140 | 111.5 | 164.2 | -96.9 | -79.4 | 0 | 0 | 0 | 112.3 | ||||
| 417 | D | 23.8 | Very low | 27 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | 38.3 | 110.2 | 138.5 | -65.8 | -29.3 | 0 | 0 | 0 | 120.4 | ||||
| 418 | S | 25.7 | Very low | 27.2 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 135.6 | 161.4 | -41.2 | 0 | 0 | 0 | 0 | 111.3 | T420 | S418-T420 PolarHBondContact O-N 3.2Š| ||
| 419 | P | 27.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | trans | -84.3 | 104.7 | 161.1 | 24.1 | -15.5 | 0 | 0 | 0 | 110.4 | ||||
| 420 | T | 26.1 | Very low | 27.4 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 33.8 | 96.8 | 142.6 | 52.7 | 0 | 0 | 0 | 0 | 118.5 | S418 | S418-T420 PolarHBondContact O-N 3.2Š| ||
| 421 | S | 25.4 | Very low | 27.2 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -55.4 | 130.3 | 153.4 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | F423 | S421-F423 PolarHBondContact OG-N 3.04Š| ||
| 422 | R | 28.3 | Very low | 27.3 | Very low | 239 Ų | 239 | 149.5 Ų | 149.5 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -117.2 | 58.6 | 169 | -157 | -169.5 | -127.5 | -166.3 | 4.5 | 109.8 | ||||
| 423 | F | 26.4 | Very low | 27.1 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -134.3 | 121.2 | 156 | -84.5 | -80 | 0 | 0 | 0 | 109.5 | S421 R425 | S421-F423 PolarHBondContact OG-N 3.04Å; F423-R425 PolarHBondContact O-N 2.94Å; F423-R425 VanDerWaalsContact O-N 3.08Å |
| 424 | K | 26.6 | Very low | 27.2 | Very low | 213 Ų | 213 | 152.7 Ų | 152.7 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | trans | -65 | 108.5 | 179.5 | -81.7 | 179.1 | 174.4 | 179 | 0 | 109.2 | V426 | K424-V426 PolarHBondContact O-N 3.07Š| ||
| 425 | R | 29 | Very low | 27.3 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 85% | 0.849 | 85% | 0.851 | S | S | * | * | trans | -19.5 | 116 | 151.2 | -174.7 | -178 | -90.4 | 177.9 | -9.5 | 112.8 | F423 S427 | F423-R425 PolarHBondContact O-N 2.94Å; F423-R425 VanDerWaalsContact O-N 3.08Å; R425-S427 PolarHBondContact O-N 3.02Å | ||
| 426 | V | 26.4 | Very low | 26.9 | Very low | 131 Ų | 131 | 160.6 Ų | 160.6 | 79% | 0.794 | 86% | 0.86 | S | S | * | * | trans | -75 | 110.1 | 156.2 | 177.4 | 0 | 0 | 0 | 0 | 106 | K424 | K424-V426 PolarHBondContact O-N 3.07Š| ||
| 427 | S | 27.1 | Very low | 27.1 | Very low | 92 Ų | 92 | 157.9 Ų | 157.9 | 64% | 0.643 | 86% | 0.86 | S | S | * | * | trans | -93.6 | 123.4 | 170.2 | 53.8 | 0 | 0 | 0 | 0 | 108.4 | R425 A429 | R425-S427 PolarHBondContact O-N 3.02Å; S427-A429 PolarHBondContact O-N 2.92Å | ||
| 428 | L | 30.3 | Very low | 27.3 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 90% | 0.895 | 87% | 0.868 | S | S | * | * | trans | -70.7 | 116 | 165.7 | -71.5 | 161.1 | 0 | 0 | 0 | 108.5 | ||||
| 429 | A | 29.6 | Very low | 27.5 | Very low | 171 Ų | 171 | 163 Ų | 163 | 100% | 1.413 | 87% | 0.873 | S | S | * | * | trans | -133 | 0 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | S427 | S427-A429 PolarHBondContact O-N 2.92Š|
Retrieved 429 of 429 residues in 560.5 ms
(Link to these results)