| 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 | 42.7 | Very low | 32.8 | Very low | 241 Ų | 241 | 163.1 Ų | 163.1 | 100% | 1.187 | 84% | 0.835 | S | S | * | * | 0 | 97.7 | 0 | -89.5 | 169.6 | 69.5 | 0 | 0 | 107.3 | |||||
| 2 | E | 32 | Very low | 33 | Very low | 198 Ų | 198 | 161.4 Ų | 161.4 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -138 | 107.1 | 164.3 | -77.7 | -169.4 | 160.2 | 0 | 0 | 107.5 | ||||
| 3 | S | 31.6 | Very low | 33.2 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -74.5 | 122.4 | -179.4 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | R | 32.3 | Very low | 33.2 | Very low | 241 Ų | 241 | 156.7 Ų | 156.7 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -89.4 | 113.7 | 166.5 | -73.7 | -173.8 | 175.1 | -172.1 | -1.5 | 109 | ||||
| 5 | V | 34.1 | Very low | 33.4 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | -77.2 | 120.7 | 170.6 | 176.5 | 0 | 0 | 0 | 0 | 108 | F7 | V5-F7 HydrophobicContact CG1-CD2 3.98Å; V5-F7 HydrophobicContact CG1-CE2 3.88Å | ||
| 6 | V | 32.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -94.4 | 114.1 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 7 | F | 30.8 | Very low | 33.8 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -84.4 | 110.2 | 169 | -89.1 | -89.2 | 0 | 0 | 0 | 109.2 | V5 F9 | V5-F7 HydrophobicContact CG1-CD2 3.98Å; V5-F7 HydrophobicContact CG1-CE2 3.88Å; F7-F9 HydrophobicContact CB-CE2 4.3Å; F7-F9 PolarHBondContact O-N 2.97Å | ||
| 8 | C | 29.7 | Very low | 34 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -80.4 | 107 | 165.9 | -82.2 | 0 | 0 | 0 | 0 | 109.2 | S10 | C8-S10 PolarHBondContact O-N 3.1Š| ||
| 9 | F | 31.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -80.4 | 108.7 | 164.6 | -81 | -87.7 | 0 | 0 | 0 | 108.8 | F7 F11 | F7-F9 HydrophobicContact CB-CE2 4.3Å; F7-F9 PolarHBondContact O-N 2.97Å; F9-F11 PolarHBondContact O-N 2.97Å | ||
| 10 | S | 31.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -74.4 | 108.2 | 164.3 | -76.8 | 0 | 0 | 0 | 0 | 108.5 | C8 I12 | C8-S10 PolarHBondContact O-N 3.1Å; S10-I12 PolarHBondContact O-N 2.85Å | ||
| 11 | F | 32.1 | Very low | 37.6 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 101.4 | 164.2 | -84.6 | -89.7 | 0 | 0 | 0 | 108.1 | F9 T13 | F9-F11 PolarHBondContact O-N 2.97Å; F11-T13 PolarHBondContact O-N 3.21Å | ||
| 12 | I | 35.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -78.3 | 98.3 | 162.3 | -63.3 | 174.7 | 0 | 0 | 0 | 105.8 | S10 L14 | S10-I12 PolarHBondContact O-N 2.85Å; I12-L14 HydrophobicContact CG2-CD1 4.44Å; I12-L14 PolarHBondContact O-N 2.63Å | ||
| 13 | T | 35.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -70.1 | 98.4 | 166.9 | -0.1 | 0 | 0 | 0 | 0 | 107.7 | F11 F15 | F11-T13 PolarHBondContact O-N 3.21Å; T13-F15 PolarHBondContact O-N 2.86Å | ||
| 14 | L | 33.2 | Very low | 45.5 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | -67.1 | 100.8 | 167.7 | -140.7 | 87.8 | 0 | 0 | 0 | 107 | I12 I16 | I12-L14 HydrophobicContact CG2-CD1 4.44Å; I12-L14 PolarHBondContact O-N 2.63Å; L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 PolarHBondContact O-N 3.1Å | ||
| 15 | F | 35.6 | Very low | 48.5 | Very low | 195 Ų | 195 | 117.3 Ų | 117.3 | 86% | 0.855 | 64% | 0.643 | S | S | * | * | trans | -66.5 | 97.1 | 165.5 | -92.7 | -89.3 | 0 | 0 | 0 | 107.1 | T13 C17 | T13-F15 PolarHBondContact O-N 2.86Å; F15-C17 VanDerWaalsContact C-N 3.31Å; F15-C17 PolarHBondContact O-N 2.8Å | ||
| 16 | I | 37.1 | Very low | 51.4 | Low | 132 Ų | 132 | 112 Ų | 112 | 68% | 0.677 | 61% | 0.611 | S | S | * | * | trans | -64.9 | 102.2 | 162 | -61.7 | 173.2 | 0 | 0 | 0 | 104.9 | L14 V18 | L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 PolarHBondContact O-N 3.1Å; I16-V18 HydrophobicContact CG2-CG2 4.1Å; I16-V18 PolarHBondContact O-N 3.23Å | ||
| 17 | C | 36.8 | Very low | 54.4 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | trans | -67.1 | 87.7 | 167.9 | -162.3 | 0 | 0 | 0 | 0 | 106.4 | F15 K19 | F15-C17 VanDerWaalsContact C-N 3.31Å; F15-C17 PolarHBondContact O-N 2.8Å; C17-K19 PolarHBondContact O-N 3.48Å | ||
| 18 | V | 38.1 | Very low | 57.6 | Low | 112 Ų | 112 | 107.9 Ų | 107.9 | 68% | 0.679 | 58% | 0.583 | S | S | * | * | trans | -63.4 | 107 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 104.2 | I16 C20 | I16-V18 HydrophobicContact CG2-CG2 4.1Å; I16-V18 PolarHBondContact O-N 3.23Å; V18-C20 VanDerWaalsContact C-N 3.27Å; V18-C20 PolarHBondContact O-N 2.83Å | ||
| 19 | K | 45.8 | Very low | 60.7 | Low | 165 Ų | 165 | 107.8 Ų | 107.8 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | trans | -53.8 | 103.5 | 162.5 | -84.4 | -172.1 | 174.3 | -171.7 | 0 | 104.9 | C17 S21 E302 | C17-K19 PolarHBondContact O-N 3.48Å; K19-S21 PolarHBondContact O-N 3.4Å; K19-E302 IonicContact NZ-OE1 3.92Å | ||
| 20 | C | 52.8 | Low | 63.9 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 79% | 0.791 | 54% | 0.535 | S | S | * | . | trans | -65.2 | 109.5 | 175.8 | -158.9 | 0 | 0 | 0 | 0 | 105.3 | V18 L22 | V18-C20 VanDerWaalsContact C-N 3.27Å; V18-C20 PolarHBondContact O-N 2.83Å; C20-L22 PolarHBondContact O-N 2.96Å | ||
| 21 | S | 77.1 | Confident | 67 | Low | 104 Ų | 104 | 94.8 Ų | 94.8 | 73% | 0.727 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 131.9 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 108.3 | K19 | K19-S21 PolarHBondContact O-N 3.4Š|
| 22 | L | 88.4 | Confident | 70.1 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 150.4 | 174.9 | -71.6 | 170.6 | 0 | 0 | 0 | 109.4 | C20 E280 D282 M309 | C20-L22 PolarHBondContact O-N 2.96Å; L22-E280 HydrophobicContact CD2-CB 4.1Å; L22-D282 HydrophobicContact CB-CB 4.01Å; L22-D282 HydrophobicContact CD1-CB 3.79Å; L22-M309 HydrophobicContact CD1-CE 4.18Å; L22-M309 HydrophobicContact CD1-CG 4.42Å; L22-M309 HydrophobicContact CD1-SD 3.42Å; L22-M309 WeakPolarHBondContact CD1-SD 3.15Å |
| 23 | P | 92.4 | Very high | 73 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 153.4 | -179.7 | 29.2 | -34.9 | 0 | 0 | 0 | 111.2 | E280 A281 | P23-E280 WeakPolarHBondContact CD-O 3.43Å; P23-E280 WeakPolarHBondContact CG-O 3.23Å; P23-A281 WeakPolarHBondContact O-CA 3.33Å |
| 24 | P | 93.3 | Very high | 75.9 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 20% | 0.201 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 165.6 | 171.3 | 30.5 | -36.7 | 0 | 0 | 0 | 111.5 | C26 Y27 R219 L283 | P24-C26 WeakPolarHBondContact CB-O 3.43Å; P24-C26 WeakPolarHBondContact CG-O 3.41Å; P24-C26 PolarHBondContact O-N 2.9Å; P24-C26 VanDerWaalsContact O-N 3.11Å; P24-Y27 HydrophobicContact CG-CD1 4.39Å; P24-R219 PolarHBondContact O-NE 3.3Å; P24-L283 HydrophobicContact CB-CD1 3.87Å |
| 25 | P | 94.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -52.6 | -32 | 175.3 | -27 | 34.2 | 0 | 0 | 0 | 113.8 | C32 R219 L283 P286 | P25-C32 HydrophobicContact CB-CB 4.31Å; P25-R219 WeakPolarHBondContact O-CG 3.31Å; P25-L283 HydrophobicContact CG-CB 4.31Å; P25-P286 HydrophobicContact CB-CG 4.07Å; P25-P286 HydrophobicContact CG-CG 4.18Å |
| 26 | C | 95.4 | Very high | 81.8 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -160 | 173.8 | 164.1 | 82.6 | 0 | 0 | 0 | 0 | 109.5 | P24 S28 C32 V215 | P24-C26 WeakPolarHBondContact CB-O 3.43Å; P24-C26 WeakPolarHBondContact CG-O 3.41Å; P24-C26 PolarHBondContact O-N 2.9Å; P24-C26 VanDerWaalsContact O-N 3.11Å; C26-S28 VanDerWaalsContact C-N 3.28Å; C26-S28 PolarHBondContact O-N 3.27Å; C26-S28 VanDerWaalsContact SG-CB 3.59Å; C26-S28 PolarHBondContact SG-N 3.05Å; C26-S28 VanDerWaalsContact SG-N 3.43Å; C26-C32 HydrophobicContact CB-CB 3.91Å; C26-C32 WeakPolarHBondContact CB-SG 3.4Å; C26-C32 WeakPolarHBondContact O-CB 3.23Å; C26-C32 WeakPolarHBondContact SG-CB 3.46Å; C26-C32 CovalentContact SG-SG 2.02Å; C26-C32 PolarHBondContact SG-SG 3.24Å; C26-V215 HydrophobicContact CB-CB 4.41Å; C26-V215 WeakPolarHBondContact CB-O 3.37Å |
| 27 | Y | 95.1 | Very high | 84.7 | Confident | 173 Ų | 173 | 56.5 Ų | 56.5 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -81.4 | 1.8 | -177.3 | -64.9 | -66.9 | 0 | 0 | 0 | 114.9 | P24 E29 R219 | P24-Y27 HydrophobicContact CG-CD1 4.39Å; Y27-E29 PolarHBondContact O-N 3.25Å; Y27-R219 PolarHBondContact OH-NH2 2.98Å |
| 28 | S | 96.9 | Very high | 87.6 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | trans | -74.5 | 116.7 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | C26 I30 Y31 C32 S33 | C26-S28 VanDerWaalsContact C-N 3.28Å; C26-S28 PolarHBondContact O-N 3.27Å; C26-S28 VanDerWaalsContact SG-CB 3.59Å; C26-S28 PolarHBondContact SG-N 3.05Å; C26-S28 VanDerWaalsContact SG-N 3.43Å; S28-I30 PolarHBondContact O-N 2.96Å; S28-I30 PolarHBondContact OG-N 3.3Å; S28-Y31 WeakPolarHBondContact OG-CD2 3.44Å; S28-Y31 PolarHBondContact OG-N 3.45Å; S28-C32 WeakPolarHBondContact O-CB 3.45Å; S28-C32 PolarHBondContact O-N 2.93Å; S28-S33 PolarHBondContact O-N 3.3Å | ||
| 29 | E | 96.7 | Very high | 90.4 | Very high | 117 Ų | 117 | 51 Ų | 51 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 4.1 | 171.7 | -63.2 | -177.5 | -142.3 | 0 | 0 | 113.8 | Y27 S33 L65 | Y27-E29 PolarHBondContact O-N 3.25Å; E29-S33 CarbonylContact C-O 3.36Å; E29-L65 HydrophobicContact CB-CD2 4.36Å |
| 30 | I | 98 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -46.9 | 176.8 | -58.3 | -177.9 | 0 | 0 | 0 | 110.5 | S28 I36 L37 F52 L57 P61 V64 L65 F93 | S28-I30 PolarHBondContact O-N 2.96Å; S28-I30 PolarHBondContact OG-N 3.3Å; I30-I36 HydrophobicContact CD1-CD1 4.46Å; I30-I36 HydrophobicContact CG1-CD1 4.16Å; I30-I36 HydrophobicContact CG2-CG2 4.21Å; I30-L37 WeakPolarHBondContact O-CB 3.1Å; I30-F52 HydrophobicContact CG2-CZ 4.38Å; I30-L57 HydrophobicContact CD1-CD1 3.82Å; I30-L57 HydrophobicContact CD1-CD2 4.21Å; I30-L57 HydrophobicContact CG2-CD2 4.29Å; I30-P61 HydrophobicContact CD1-CB 3.89Å; I30-V64 HydrophobicContact CD1-CB 4.29Å; I30-V64 HydrophobicContact CD1-CG1 4.26Å; I30-L65 HydrophobicContact CD1-CD2 4.49Å; I30-L65 HydrophobicContact CD1-CG 4.16Å; I30-L65 HydrophobicContact CG1-CD2 3.97Å; I30-L65 HydrophobicContact CG1-CG 4.14Å; I30-F93 HydrophobicContact CG2-CE1 4.1Å; I30-F93 HydrophobicContact CG2-CZ 3.91Å |
| 31 | Y | 97.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -16.9 | -173 | -60.8 | -59.8 | 0 | 0 | 0 | 114.3 | S28 M55 L57 F93 L151 V215 P286 | S28-Y31 WeakPolarHBondContact OG-CD2 3.44Å; S28-Y31 PolarHBondContact OG-N 3.45Å; Y31-M55 WeakPolarHBondContact CE1-O 3.42Å; Y31-M55 PolarHBondContact OH-O 3.25Å; Y31-L57 WeakPolarHBondContact OH-CG 3.38Å; Y31-L57 PolarHBondContact OH-N 3.37Å; Y31-F93 HydrophobicContact CE1-CE1 4.35Å; Y31-L151 PolarHBondContact OH-O 3.44Å; Y31-V215 HydrophobicContact CD2-CG2 4.5Å; Y31-P286 WeakPolarHBondContact O-CB 3.44Å |
| 32 | C | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -18.8 | -172.7 | -66.4 | 0 | 0 | 0 | 0 | 114.9 | P25 C26 S28 Y216 P286 | P25-C32 HydrophobicContact CB-CB 4.31Å; C26-C32 HydrophobicContact CB-CB 3.91Å; C26-C32 WeakPolarHBondContact CB-SG 3.4Å; C26-C32 WeakPolarHBondContact O-CB 3.23Å; C26-C32 WeakPolarHBondContact SG-CB 3.46Å; C26-C32 CovalentContact SG-SG 2.02Å; C26-C32 PolarHBondContact SG-SG 3.24Å; S28-C32 WeakPolarHBondContact O-CB 3.45Å; S28-C32 PolarHBondContact O-N 2.93Å; C32-Y216 VanDerWaalsContact SG-CA 3.59Å; C32-P286 HydrophobicContact CB-CG 4.35Å |
| 33 | S | 95.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -158.8 | -173.2 | 179 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | S28 E29 | S28-S33 PolarHBondContact O-N 3.3Å; E29-S33 CarbonylContact C-O 3.36Å |
| 34 | G | 95.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 39 Ų | 39 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | 86.2 | 172.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I36 H38 | G34-I36 PolarHBondContact O-N 3.02Å; G34-H38 PolarHBondContact O-N 3.07Å |
| 35 | P | 96 | Very high | 96.4 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72 | -28.4 | -170.1 | 28.9 | -35.9 | 0 | 0 | 0 | 113.1 | H39 F68 L72 | P35-H39 PolarHBondContact O-N 3.26Å; P35-H39 VanDerWaalsContact O-N 3.08Å; P35-H39 PolarHBondContact O-ND1 3.12Å; P35-F68 HydrophobicContact CB-CD1 4.45Å; P35-F68 HydrophobicContact CB-CE1 4.08Å; P35-F68 HydrophobicContact CG-CD1 4.42Å; P35-L72 HydrophobicContact CB-CD1 4.09Å; P35-L72 HydrophobicContact CG-CD1 4.33Å |
| 36 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -54.7 | 177.2 | -65.8 | 176.4 | 0 | 0 | 0 | 109.7 | I30 G34 H38 H39 M40 F52 V64 L65 F68 F88 F93 | I30-I36 HydrophobicContact CD1-CD1 4.46Å; I30-I36 HydrophobicContact CG1-CD1 4.16Å; I30-I36 HydrophobicContact CG2-CG2 4.21Å; G34-I36 PolarHBondContact O-N 3.02Å; I36-H38 VanDerWaalsContact C-N 3.29Å; I36-H38 PolarHBondContact O-N 3.25Å; I36-H39 PolarHBondContact O-N 2.96Å; I36-M40 HydrophobicContact CG2-CG 4.11Å; I36-M40 WeakPolarHBondContact O-CB 3.21Å; I36-M40 WeakPolarHBondContact O-CG 3.45Å; I36-M40 PolarHBondContact O-N 3.16Å; I36-F52 HydrophobicContact CG2-CE1 4.48Å; I36-F52 HydrophobicContact CG2-CE2 4.4Å; I36-F52 HydrophobicContact CG2-CZ 3.67Å; I36-V64 HydrophobicContact CD1-CG1 4.07Å; I36-L65 HydrophobicContact CD1-CD2 3.87Å; I36-L65 HydrophobicContact CD1-CG 4.49Å; I36-F68 HydrophobicContact CB-CD1 4.42Å; I36-F68 HydrophobicContact CD1-CB 3.73Å; I36-F68 HydrophobicContact CD1-CD1 4.37Å; I36-F68 HydrophobicContact CD1-CG 4.02Å; I36-F68 HydrophobicContact CG1-CB 3.67Å; I36-F68 HydrophobicContact CG1-CD1 3.39Å; I36-F68 HydrophobicContact CG1-CD2 3.97Å; I36-F68 HydrophobicContact CG1-CE1 3.97Å; I36-F68 HydrophobicContact CG1-CE2 4.49Å; I36-F68 HydrophobicContact CG1-CG 3.39Å; I36-F68 HydrophobicContact CG1-CZ 4.49Å; I36-F88 HydrophobicContact CD1-CE1 4.49Å; I36-F88 HydrophobicContact CD1-CZ 4.21Å; I36-F88 HydrophobicContact CG2-CE1 4.42Å; I36-F93 HydrophobicContact CG2-CZ 4.41Å |
| 37 | L | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.7 | -50.8 | 178.6 | 179.6 | 63.1 | 0 | 0 | 0 | 111.1 | I30 H39 M40 Q41 F52 V53 P286 Y289 | I30-L37 WeakPolarHBondContact O-CB 3.1Å; L37-H39 PolarHBondContact O-N 3.22Å; L37-M40 PolarHBondContact O-N 3.47Å; L37-Q41 HydrophobicContact CD1-CG 3.69Å; L37-Q41 HydrophobicContact CG-CG 4.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.48Å; L37-Q41 VanDerWaalsContact O-CG 3.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.47Å; L37-Q41 PolarHBondContact O-N 3.01Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CE1 3.92Å; L37-V53 HydrophobicContact CD1-CG1 3.65Å; L37-P286 HydrophobicContact CD1-CB 4.47Å; L37-P286 HydrophobicContact CD2-CB 4.17Å; L37-P286 HydrophobicContact CD2-CG 4.47Å; L37-Y289 HydrophobicContact CD2-CD2 3.88Å; L37-Y289 HydrophobicContact CD2-CE2 3.85Å; L37-Y289 HydrophobicContact CG-CD2 4.1Å; L37-Y289 HydrophobicContact CG-CE2 4.13Å |
| 38 | H | 96.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57 | -52.3 | -177.5 | -179.4 | 63.2 | 0 | 0 | 0 | 112.4 | G34 I36 M40 E42 Y289 | G34-H38 PolarHBondContact O-N 3.07Å; I36-H38 VanDerWaalsContact C-N 3.29Å; I36-H38 PolarHBondContact O-N 3.25Å; H38-M40 PolarHBondContact O-N 3.09Å; H38-E42 IonicContact CD2-OE2 2.87Å; H38-E42 IonicContact CE1-OE1 3.87Å; H38-E42 PolarHBondContact CE1-OE1 3.3Å; H38-E42 IonicContact CE1-OE2 2.67Å; H38-E42 PolarHBondContact CE1-OE2 3.11Å; H38-E42 IonicContact ND1-OE2 2.65Å; H38-E42 IonicContact NE2-OE2 3.74Å; H38-E42 PolarHBondContact NE2-OE2 2.99Å; H38-E42 VanDerWaalsContact NE2-OE2 3.15Å; H38-E42 WeakPolarHBondContact O-CB 3.27Å; H38-E42 WeakPolarHBondContact O-CG 3.5Å; H38-E42 PolarHBondContact O-N 3.34Å; H38-Y289 AromaticContact ND1-CE1 3.95Å; H38-Y289 PolarHBondContact ND1-OH 2.87Å |
| 39 | H | 97 | Very high | 96 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -35.7 | -177.9 | -72.4 | 79.1 | 0 | 0 | 0 | 112.8 | P35 I36 L37 A43 F68 L85 | P35-H39 PolarHBondContact O-N 3.26Å; P35-H39 VanDerWaalsContact O-N 3.08Å; P35-H39 PolarHBondContact O-ND1 3.12Å; I36-H39 PolarHBondContact O-N 2.96Å; L37-H39 PolarHBondContact O-N 3.22Å; H39-A43 WeakPolarHBondContact O-CB 3.1Å; H39-A43 PolarHBondContact O-N 3.45Å; H39-A43 VanDerWaalsContact O-N 3.12Å; H39-F68 HydrophobicContact CB-CZ 3.79Å; H39-F68 AromaticContact CG-CZ 3.89Å; H39-L85 HydrophobicContact CB-CD2 4.26Å |
| 40 | M | 96.7 | Very high | 96 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 179.1 | -66 | -58.7 | 152.2 | 0 | 0 | 111.5 | I36 L37 H38 L45 F52 F68 L85 F88 L89 | I36-M40 HydrophobicContact CG2-CG 4.11Å; I36-M40 WeakPolarHBondContact O-CB 3.21Å; I36-M40 WeakPolarHBondContact O-CG 3.45Å; I36-M40 PolarHBondContact O-N 3.16Å; L37-M40 PolarHBondContact O-N 3.47Å; H38-M40 PolarHBondContact O-N 3.09Å; M40-L45 HydrophobicContact SD-CD1 3.87Å; M40-F52 HydrophobicContact CB-CD1 3.91Å; M40-F52 HydrophobicContact CB-CD2 3.9Å; M40-F52 HydrophobicContact CB-CE1 4.04Å; M40-F52 HydrophobicContact CB-CE2 4.02Å; M40-F52 HydrophobicContact CB-CG 3.86Å; M40-F52 HydrophobicContact CB-CZ 4.1Å; M40-F52 HydrophobicContact CG-CD2 3.95Å; M40-F52 HydrophobicContact CG-CE1 4.24Å; M40-F52 HydrophobicContact CG-CE2 3.64Å; M40-F52 HydrophobicContact CG-CG 4.4Å; M40-F52 HydrophobicContact CG-CZ 3.81Å; M40-F68 HydrophobicContact CE-CD2 4.38Å; M40-F68 HydrophobicContact CE-CE2 3.71Å; M40-F68 HydrophobicContact CE-CZ 4.48Å; M40-L85 HydrophobicContact CE-CB 4.1Å; M40-L85 HydrophobicContact CE-CD2 3.64Å; M40-L85 HydrophobicContact CE-CG 4.43Å; M40-L85 HydrophobicContact SD-CB 4.14Å; M40-L85 HydrophobicContact SD-CD2 4.45Å; M40-F88 HydrophobicContact CE-CD1 3.51Å; M40-F88 HydrophobicContact CE-CE1 4.03Å; M40-F88 HydrophobicContact CE-CG 4.42Å; M40-L89 HydrophobicContact CE-CD2 4.36Å; M40-L89 HydrophobicContact CE-CG 4.36Å; M40-L89 HydrophobicContact CG-CD2 4.31Å; M40-L89 HydrophobicContact SD-CD1 3.87Å; M40-L89 HydrophobicContact SD-CD2 3.71Å; M40-L89 HydrophobicContact SD-CG 3.66Å |
| 41 | Q | 97 | Very high | 96 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.9 | -49.4 | -179.9 | -61.8 | -66 | 41.6 | 0 | 0 | 111.4 | L37 A43 K44 D49 P286 Y289 T290 | L37-Q41 HydrophobicContact CD1-CG 3.69Å; L37-Q41 HydrophobicContact CG-CG 4.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.48Å; L37-Q41 VanDerWaalsContact O-CG 3.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.47Å; L37-Q41 PolarHBondContact O-N 3.01Å; Q41-A43 PolarHBondContact O-N 3.09Å; Q41-K44 WeakPolarHBondContact O-CA 3.42Å; Q41-K44 PolarHBondContact O-N 3.07Å; Q41-D49 PolarHBondContact NE2-O 3.35Å; Q41-P286 PolarHBondContact NE2-O 2.86Å; Q41-Y289 HydrophobicContact CB-CD1 3.47Å; Q41-Y289 VanDerWaalsContact CB-CD1 3.47Å; Q41-Y289 HydrophobicContact CB-CE1 4.23Å; Q41-Y289 HydrophobicContact CB-CG 3.99Å; Q41-Y289 HydrophobicContact CG-CD1 3.89Å; Q41-Y289 HydrophobicContact CG-CG 3.9Å; Q41-T290 VanDerWaalsContact C-CG2 3.48Å; Q41-T290 HydrophobicContact CB-CG2 3.95Å; Q41-T290 WeakPolarHBondContact O-CG2 3.46Å |
| 42 | E | 95.6 | Very high | 96 | Very high | 110 Ų | 110 | 40.9 Ų | 40.9 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -29 | 179.2 | -73.8 | -159.8 | 136.5 | 0 | 0 | 113.5 | H38 K44 L293 | H38-E42 IonicContact CD2-OE2 2.87Å; H38-E42 IonicContact CE1-OE1 3.87Å; H38-E42 PolarHBondContact CE1-OE1 3.3Å; H38-E42 IonicContact CE1-OE2 2.67Å; H38-E42 PolarHBondContact CE1-OE2 3.11Å; H38-E42 IonicContact ND1-OE2 2.65Å; H38-E42 IonicContact NE2-OE2 3.74Å; H38-E42 PolarHBondContact NE2-OE2 2.99Å; H38-E42 VanDerWaalsContact NE2-OE2 3.15Å; H38-E42 WeakPolarHBondContact O-CB 3.27Å; H38-E42 WeakPolarHBondContact O-CG 3.5Å; H38-E42 PolarHBondContact O-N 3.34Å; E42-K44 PolarHBondContact O-N 3.34Å; E42-L293 HydrophobicContact CG-CD1 4.4Å |
| 43 | A | 95.6 | Very high | 96 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | H39 Q41 L45 K82 L85 | H39-A43 WeakPolarHBondContact O-CB 3.1Å; H39-A43 PolarHBondContact O-N 3.45Å; H39-A43 VanDerWaalsContact O-N 3.12Å; Q41-A43 PolarHBondContact O-N 3.09Å; A43-L45 VanDerWaalsContact C-N 3.26Å; A43-L45 HydrophobicContact CB-CD2 3.89Å; A43-L45 HydrophobicContact CB-CG 3.87Å; A43-L45 PolarHBondContact O-N 2.91Å; A43-K82 WeakPolarHBondContact O-CE 3.38Å; A43-K82 PolarHBondContact O-NZ 2.63Å; A43-L85 HydrophobicContact CB-CD1 3.47Å; A43-L85 VanDerWaalsContact CB-CD1 3.47Å |
| 44 | K | 95.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 52.2 | -178.4 | -60.4 | -170.7 | 177.9 | -164.3 | 0 | 111.1 | Q41 E42 F46 T290 E294 | Q41-K44 WeakPolarHBondContact O-CA 3.42Å; Q41-K44 PolarHBondContact O-N 3.07Å; E42-K44 PolarHBondContact O-N 3.34Å; K44-F46 PolarHBondContact O-N 2.87Å; K44-T290 HydrophobicContact CG-CG2 4.39Å; K44-E294 WeakPolarHBondContact CE-OE1 3.44Å; K44-E294 IonicContact NZ-OE1 3.93Å; K44-E294 PolarHBondContact NZ-OE1 3.43Å; K44-E294 IonicContact NZ-OE2 2.85Å |
| 45 | L | 95 | Very high | 96.2 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | trans | -70 | -22.8 | 179.5 | -60.3 | -178.8 | 0 | 0 | 0 | 111.8 | M40 A43 K82 L85 E86 L89 | M40-L45 HydrophobicContact SD-CD1 3.87Å; A43-L45 VanDerWaalsContact C-N 3.26Å; A43-L45 HydrophobicContact CB-CD2 3.89Å; A43-L45 HydrophobicContact CB-CG 3.87Å; A43-L45 PolarHBondContact O-N 2.91Å; L45-K82 HydrophobicContact CD2-CB 4.06Å; L45-K82 HydrophobicContact CD2-CD 4.22Å; L45-K82 HydrophobicContact CD2-CG 4.22Å; L45-L85 HydrophobicContact CD1-CB 3.86Å; L45-E86 HydrophobicContact CD1-CG 4.5Å; L45-E86 HydrophobicContact CD2-CG 4.11Å; L45-L89 HydrophobicContact CD1-CD1 3.57Å | ||
| 46 | F | 94.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 26% | 0.263 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -126.1 | 155.8 | 175.7 | -52.2 | -70.7 | 0 | 0 | 0 | 109.4 | K44 D48 H51 F52 M55 L89 | K44-F46 PolarHBondContact O-N 2.87Å; F46-D48 PolarHBondContact O-N 2.91Å; F46-H51 HydrophobicContact CB-CB 3.78Å; F46-H51 HydrophobicContact CD1-CB 4.38Å; F46-H51 AromaticContact CD1-CD2 3.45Å; F46-H51 VanDerWaalsContact CD1-CD2 3.45Å; F46-H51 WeakPolarHBondContact CD1-CD2 3.43Å; F46-H51 AromaticContact CD1-CG 3.76Å; F46-H51 AromaticContact CD1-NE2 3.76Å; F46-H51 HydrophobicContact CD2-CB 4.01Å; F46-H51 AromaticContact CD2-CD2 3.61Å; F46-H51 AromaticContact CE1-CD2 3.4Å; F46-H51 VanDerWaalsContact CE1-CD2 3.4Å; F46-H51 WeakPolarHBondContact CE1-CD2 3.31Å; F46-H51 AromaticContact CE1-NE2 3.45Å; F46-H51 WeakPolarHBondContact CE1-NE2 3.36Å; F46-H51 AromaticContact CE2-CD2 3.56Å; F46-H51 HydrophobicContact CG-CB 3.79Å; F46-H51 AromaticContact CG-CD2 3.55Å; F46-H51 AromaticContact CG-CG 3.66Å; F46-H51 AromaticContact CZ-CD2 3.46Å; F46-H51 VanDerWaalsContact CZ-CD2 3.46Å; F46-H51 WeakPolarHBondContact CZ-CD2 3.22Å; F46-H51 AromaticContact CZ-NE2 3.77Å; F46-F52 HydrophobicContact CD2-CB 4.31Å; F46-F52 HydrophobicContact CE2-CB 4.35Å; F46-M55 HydrophobicContact CE2-SD 4.18Å; F46-M55 HydrophobicContact CZ-SD 4.23Å; F46-L89 HydrophobicContact CE2-CD1 3.85Å; F46-L89 HydrophobicContact CZ-CD1 3.97Å |
| 47 | N | 92.1 | Very high | 96.3 | Very high | 181 Ų | 181 | 38.4 Ų | 38.4 | 97% | 0.968 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -76.2 | -12.8 | 176.6 | -66.6 | -16.8 | 0 | 0 | 0 | 113.3 | ||
| 48 | D | 93.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -130.5 | 117.6 | -178.3 | 179.9 | -6.3 | 0 | 0 | 0 | 107.9 | F46 K50 H51 R167 | F46-D48 PolarHBondContact O-N 2.91Å; D48-K50 PolarHBondContact O-N 3.4Å; D48-K50 WeakPolarHBondContact OD1-CB 3.41Å; D48-K50 PolarHBondContact OD1-N 2.91Å; D48-H51 WeakPolarHBondContact O-CB 3.35Å; D48-H51 PolarHBondContact O-N 3.37Å; D48-R167 IonicContact OD1-CZ 2.76Å; D48-R167 IonicContact OD1-NE 3.1Å; D48-R167 IonicContact OD1-NH2 2.67Å; D48-R167 PolarHBondContact OD1-NH2 3.25Å; D48-R167 IonicContact OD2-CZ 3.41Å; D48-R167 IonicContact OD2-NE 3.8Å; D48-R167 PolarHBondContact OD2-NE 3.09Å; D48-R167 IonicContact OD2-NH2 3.51Å; D48-R167 PolarHBondContact OD2-NH2 3.12Å |
| 49 | D | 95.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27 | -179.9 | -78.7 | 2.4 | 0 | 0 | 0 | 112.4 | Q41 H51 E287 Y289 T290 | Q41-D49 PolarHBondContact NE2-O 3.35Å; D49-H51 PolarHBondContact O-N 2.94Å; D49-E287 WeakPolarHBondContact CB-O 3.43Å; D49-Y289 PolarHBondContact OD2-N 3.32Å; D49-T290 PolarHBondContact OD1-OG1 2.9Å; D49-T290 WeakPolarHBondContact OD2-CB 3.45Å; D49-T290 PolarHBondContact OD2-N 2.92Å; D49-T290 PolarHBondContact OD2-OG1 3.39Å |
| 50 | K | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -22.9 | 174.4 | -167.9 | 172.2 | -171.3 | -69.7 | 0 | 112.6 | D48 F52 V53 D54 R167 E170 Y216 E287 | D48-K50 PolarHBondContact O-N 3.4Å; D48-K50 WeakPolarHBondContact OD1-CB 3.41Å; D48-K50 PolarHBondContact OD1-N 2.91Å; K50-F52 PolarHBondContact O-N 3.07Å; K50-V53 HydrophobicContact CG-CG2 4.48Å; K50-V53 WeakPolarHBondContact O-CG2 3.49Å; K50-D54 IonicContact NZ-OD1 3.82Å; K50-D54 IonicContact NZ-OD2 3.8Å; K50-D54 PolarHBondContact NZ-OD2 3.13Å; K50-D54 WeakPolarHBondContact O-CB 3.5Å; K50-D54 VanDerWaalsContact O-CG 3.3Å; K50-D54 PolarHBondContact O-N 3.32Å; K50-D54 VanDerWaalsContact O-N 3.14Å; K50-R167 PolarHBondContact NZ-O 2.63Å; K50-E170 WeakPolarHBondContact CE-OE1 3.14Å; K50-E170 VanDerWaalsContact NZ-CD 3.34Å; K50-E170 IonicContact NZ-OE1 2.71Å; K50-E170 PolarHBondContact NZ-OE1 3.16Å; K50-E170 IonicContact NZ-OE2 3.98Å; K50-E170 PolarHBondContact NZ-OE2 3.13Å; K50-E170 VanDerWaalsContact NZ-OE2 3.16Å; K50-Y216 WeakPolarHBondContact CE-OH 3.22Å; K50-E287 HydrophobicContact CB-CB 4.21Å; K50-E287 HydrophobicContact CG-CB 4.23Å; K50-E287 PolarHBondContact N-O 3.25Å |
| 51 | H | 96.6 | Very high | 96.4 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -50.3 | -179.5 | -168.8 | 101.5 | 0 | 0 | 0 | 111.9 | F46 D48 D49 D54 M55 P96 | F46-H51 HydrophobicContact CB-CB 3.78Å; F46-H51 HydrophobicContact CD1-CB 4.38Å; F46-H51 AromaticContact CD1-CD2 3.45Å; F46-H51 VanDerWaalsContact CD1-CD2 3.45Å; F46-H51 WeakPolarHBondContact CD1-CD2 3.43Å; F46-H51 AromaticContact CD1-CG 3.76Å; F46-H51 AromaticContact CD1-NE2 3.76Å; F46-H51 HydrophobicContact CD2-CB 4.01Å; F46-H51 AromaticContact CD2-CD2 3.61Å; F46-H51 AromaticContact CE1-CD2 3.4Å; F46-H51 VanDerWaalsContact CE1-CD2 3.4Å; F46-H51 WeakPolarHBondContact CE1-CD2 3.31Å; F46-H51 AromaticContact CE1-NE2 3.45Å; F46-H51 WeakPolarHBondContact CE1-NE2 3.36Å; F46-H51 AromaticContact CE2-CD2 3.56Å; F46-H51 HydrophobicContact CG-CB 3.79Å; F46-H51 AromaticContact CG-CD2 3.55Å; F46-H51 AromaticContact CG-CG 3.66Å; F46-H51 AromaticContact CZ-CD2 3.46Å; F46-H51 VanDerWaalsContact CZ-CD2 3.46Å; F46-H51 WeakPolarHBondContact CZ-CD2 3.22Å; F46-H51 AromaticContact CZ-NE2 3.77Å; D48-H51 WeakPolarHBondContact O-CB 3.35Å; D48-H51 PolarHBondContact O-N 3.37Å; D49-H51 PolarHBondContact O-N 2.94Å; H51-D54 PolarHBondContact O-N 2.83Å; H51-M55 WeakPolarHBondContact O-CG 3.27Å; H51-M55 PolarHBondContact O-N 3.49Å; H51-P96 VanDerWaalsContact O-CG 3.25Å; H51-P96 WeakPolarHBondContact O-CG 3.33Å |
| 52 | F | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -46.5 | -177.1 | 169.7 | -106.7 | 0 | 0 | 0 | 111.5 | I30 I36 L37 M40 F46 K50 D54 M55 L89 F93 | I30-F52 HydrophobicContact CG2-CZ 4.38Å; I36-F52 HydrophobicContact CG2-CE1 4.48Å; I36-F52 HydrophobicContact CG2-CE2 4.4Å; I36-F52 HydrophobicContact CG2-CZ 3.67Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CE1 3.92Å; M40-F52 HydrophobicContact CB-CD1 3.91Å; M40-F52 HydrophobicContact CB-CD2 3.9Å; M40-F52 HydrophobicContact CB-CE1 4.04Å; M40-F52 HydrophobicContact CB-CE2 4.02Å; M40-F52 HydrophobicContact CB-CG 3.86Å; M40-F52 HydrophobicContact CB-CZ 4.1Å; M40-F52 HydrophobicContact CG-CD2 3.95Å; M40-F52 HydrophobicContact CG-CE1 4.24Å; M40-F52 HydrophobicContact CG-CE2 3.64Å; M40-F52 HydrophobicContact CG-CG 4.4Å; M40-F52 HydrophobicContact CG-CZ 3.81Å; F46-F52 HydrophobicContact CD2-CB 4.31Å; F46-F52 HydrophobicContact CE2-CB 4.35Å; K50-F52 PolarHBondContact O-N 3.07Å; F52-D54 PolarHBondContact O-N 2.98Å; F52-D54 VanDerWaalsContact O-N 3.16Å; F52-M55 HydrophobicContact CD2-SD 4Å; F52-M55 VanDerWaalsContact O-CB 3.3Å; F52-M55 WeakPolarHBondContact O-CB 3.46Å; F52-M55 WeakPolarHBondContact O-CG 3.44Å; F52-M55 PolarHBondContact O-N 3.36Å; F52-L89 HydrophobicContact CD2-CD2 3.76Å; F52-L89 HydrophobicContact CE2-CD2 3.6Å; F52-F93 HydrophobicContact CE2-CD1 4.34Å; F52-F93 AromaticContact CE2-CE1 3.78Å; F52-F93 HydrophobicContact CE2-CE1 3.78Å; F52-F93 HydrophobicContact CE2-CE2 4.4Å; F52-F93 AromaticContact CE2-CZ 3.84Å; F52-F93 HydrophobicContact CE2-CZ 3.84Å; F52-F93 HydrophobicContact CZ-CE1 4.1Å; F52-F93 HydrophobicContact CZ-CZ 4.06Å |
| 53 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.3 | -11.6 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | L37 K50 S153 Y216 P286 E287 | L37-V53 HydrophobicContact CD1-CG1 3.65Å; K50-V53 HydrophobicContact CG-CG2 4.48Å; K50-V53 WeakPolarHBondContact O-CG2 3.49Å; V53-S153 WeakPolarHBondContact O-CB 3.12Å; V53-S153 PolarHBondContact O-OG 3.31Å; V53-Y216 HydrophobicContact CB-CD1 4.05Å; V53-Y216 HydrophobicContact CB-CE1 3.83Å; V53-Y216 HydrophobicContact CG2-CD1 4.16Å; V53-Y216 HydrophobicContact CG2-CE1 3.63Å; V53-P286 HydrophobicContact CG1-CB 3.9Å; V53-P286 WeakPolarHBondContact CG1-O 3.46Å; V53-E287 HydrophobicContact CG2-CB 4.16Å |
| 54 | D | 97.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4.8 | 172.4 | -74.1 | -1.3 | 0 | 0 | 0 | 113.8 | K50 H51 F52 P96 R214 Y216 | K50-D54 IonicContact NZ-OD1 3.82Å; K50-D54 IonicContact NZ-OD2 3.8Å; K50-D54 PolarHBondContact NZ-OD2 3.13Å; K50-D54 WeakPolarHBondContact O-CB 3.5Å; K50-D54 VanDerWaalsContact O-CG 3.3Å; K50-D54 PolarHBondContact O-N 3.32Å; K50-D54 VanDerWaalsContact O-N 3.14Å; H51-D54 PolarHBondContact O-N 2.83Å; F52-D54 PolarHBondContact O-N 2.98Å; F52-D54 VanDerWaalsContact O-N 3.16Å; D54-P96 HydrophobicContact CB-CB 3.87Å; D54-P96 HydrophobicContact CB-CG 4.15Å; D54-R214 IonicContact OD1-CZ 2.67Å; D54-R214 IonicContact OD1-NE 3.21Å; D54-R214 PolarHBondContact OD1-NE 3.45Å; D54-R214 IonicContact OD1-NH1 3.48Å; D54-R214 IonicContact OD1-NH2 3.23Å; D54-R214 IonicContact OD2-CZ 3.26Å; D54-R214 IonicContact OD2-NH2 2.8Å; D54-Y216 PolarHBondContact OD1-OH 2.8Å |
| 55 | M | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 152.9 | 174 | -60.9 | -176.1 | 82.6 | 0 | 0 | 110.6 | Y31 F46 H51 F52 L89 F93 D94 P96 | Y31-M55 WeakPolarHBondContact CE1-O 3.42Å; Y31-M55 PolarHBondContact OH-O 3.25Å; F46-M55 HydrophobicContact CE2-SD 4.18Å; F46-M55 HydrophobicContact CZ-SD 4.23Å; H51-M55 WeakPolarHBondContact O-CG 3.27Å; H51-M55 PolarHBondContact O-N 3.49Å; F52-M55 HydrophobicContact CD2-SD 4Å; F52-M55 VanDerWaalsContact O-CB 3.3Å; F52-M55 WeakPolarHBondContact O-CB 3.46Å; F52-M55 WeakPolarHBondContact O-CG 3.44Å; F52-M55 PolarHBondContact O-N 3.36Å; M55-L89 HydrophobicContact SD-CD2 4.14Å; M55-F93 HydrophobicContact CB-CB 4.12Å; M55-F93 HydrophobicContact CB-CD1 3.7Å; M55-F93 HydrophobicContact CB-CG 4.33Å; M55-F93 HydrophobicContact CE-CB 3.54Å; M55-F93 HydrophobicContact CE-CG 4.46Å; M55-F93 HydrophobicContact SD-CB 4.19Å; M55-D94 WeakPolarHBondContact CB-O 3.09Å; M55-P96 HydrophobicContact CG-CG 3.95Å |
| 56 | K | 97.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.5 | 177.2 | 166.5 | -155.3 | 165.4 | -155 | 0 | 109.3 | F93 D94 Y152 | K56-F93 CarbonylContact O-C 3.09Å; K56-F93 WeakPolarHBondContact O-CA 3.41Å; K56-D94 HydrophobicContact CB-CB 4.2Å; K56-D94 HydrophobicContact CD-CB 4.17Å; K56-D94 PolarHBondContact N-O 3.48Å; K56-D94 IonicContact NZ-OD2 3.94Å; K56-D94 PolarHBondContact NZ-OD2 3.34Å; K56-D94 PolarHBondContact O-N 2.97Å; K56-Y152 HydrophobicContact CB-CD1 4.08Å; K56-Y152 HydrophobicContact CB-CE1 4.2Å; K56-Y152 HydrophobicContact CD-CD1 4.16Å; K56-Y152 HydrophobicContact CD-CE1 3.42Å; K56-Y152 VanDerWaalsContact CD-CE1 3.42Å; K56-Y152 VanDerWaalsContact CE-OH 3.29Å; K56-Y152 WeakPolarHBondContact CE-OH 3.17Å; K56-Y152 HydrophobicContact CG-CD1 3.7Å; K56-Y152 HydrophobicContact CG-CE1 3.46Å; K56-Y152 VanDerWaalsContact CG-CE1 3.46Å; K56-Y152 HydrophobicContact CG-CG 4.45Å |
| 57 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 141.1 | 172.1 | -52.9 | -178.5 | 0 | 0 | 0 | 112.2 | I30 Y31 S59 P61 V64 F93 L151 | I30-L57 HydrophobicContact CD1-CD1 3.82Å; I30-L57 HydrophobicContact CD1-CD2 4.21Å; I30-L57 HydrophobicContact CG2-CD2 4.29Å; Y31-L57 WeakPolarHBondContact OH-CG 3.38Å; Y31-L57 PolarHBondContact OH-N 3.37Å; L57-S59 VanDerWaalsContact CB-O 3.32Å; L57-S59 WeakPolarHBondContact CB-O 3.29Å; L57-P61 HydrophobicContact CD1-CB 4.18Å; L57-P61 HydrophobicContact CD1-CG 3.72Å; L57-V64 HydrophobicContact CD2-CG1 4.37Å; L57-V64 HydrophobicContact CD2-CG2 4.35Å; L57-F93 HydrophobicContact CD2-CD1 3.7Å; L57-F93 HydrophobicContact CD2-CE1 3.18Å; L57-F93 HydrophobicContact CD2-CE2 4.25Å; L57-F93 HydrophobicContact CD2-CG 4.45Å; L57-F93 HydrophobicContact CD2-CZ 3.48Å; L57-F93 VanDerWaalsContact CD2-CZ 3.48Å; L57-L151 HydrophobicContact CB-CB 4.24Å; L57-L151 HydrophobicContact CB-CD2 3.97Å; L57-L151 PolarHBondContact N-O 2.93Å |
| 58 | K | 98.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 34.6 Ų | 34.6 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -82.3 | -24 | 171.7 | -70.4 | 175.9 | 171.5 | 168.9 | 0 | 113.1 | E90 A91 N92 F93 D94 | K58-E90 PolarHBondContact NZ-O 2.82Å; K58-A91 WeakPolarHBondContact CD-O 3.5Å; K58-N92 WeakPolarHBondContact CB-O 3.13Å; K58-N92 PolarHBondContact N-O 3.02Å; K58-F93 VanDerWaalsContact CE-C 3.49Å; K58-F93 WeakPolarHBondContact CE-O 3.49Å; K58-F93 PolarHBondContact NZ-O 3.04Å; K58-D94 WeakPolarHBondContact CE-OD1 3.44Å |
| 59 | S | 97.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -137.3 | 162.1 | -178.4 | -67 | 0 | 0 | 0 | 0 | 111 | L57 L151 | L57-S59 VanDerWaalsContact CB-O 3.32Å; L57-S59 WeakPolarHBondContact CB-O 3.29Å; S59-L151 VanDerWaalsContact C-CD2 3.49Å; S59-L151 VanDerWaalsContact O-CD2 3.24Å; S59-L151 WeakPolarHBondContact O-CD2 3.42Å |
| 60 | P | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | trans | -52.2 | 146.1 | 178 | -27.9 | 35.9 | 0 | 0 | 0 | 113.3 | G62 E63 V64 | P60-G62 PolarHBondContact O-N 2.92Å; P60-E63 PolarHBondContact O-N 3.29Å; P60-V64 PolarHBondContact O-N 2.88Å | ||
| 61 | P | 97.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -50.9 | -38 | -176.2 | -29.8 | 33.9 | 0 | 0 | 0 | 114.7 | I30 L57 E63 V64 L65 E150 | I30-P61 HydrophobicContact CD1-CB 3.89Å; L57-P61 HydrophobicContact CD1-CB 4.18Å; L57-P61 HydrophobicContact CD1-CG 3.72Å; P61-E63 VanDerWaalsContact C-N 3.32Å; P61-E63 PolarHBondContact O-N 3.47Å; P61-V64 PolarHBondContact O-N 2.89Å; P61-L65 WeakPolarHBondContact O-CB 3.44Å; P61-L65 WeakPolarHBondContact O-CD1 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.5Å; P61-L65 PolarHBondContact O-N 2.96Å; P61-E150 HydrophobicContact CG-CB 3.97Å; P61-E150 HydrophobicContact CG-CG 4.19Å; P61-E150 VanDerWaalsContact CG-O 3.28Å; P61-E150 WeakPolarHBondContact CG-O 3.3Å |
| 62 | G | 98.2 | Very high | 97.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P60 A66 | P60-G62 PolarHBondContact O-N 2.92Å; G62-A66 WeakPolarHBondContact O-CB 3.31Å; G62-A66 PolarHBondContact O-N 2.74Å |
| 63 | E | 98.4 | Very high | 97.5 | Very high | 117 Ų | 117 | 43 Ų | 43 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 176.2 | -68 | 179.3 | -149.2 | 0 | 0 | 111.1 | P60 P61 A66 A67 | P60-E63 PolarHBondContact O-N 3.29Å; P61-E63 VanDerWaalsContact C-N 3.32Å; P61-E63 PolarHBondContact O-N 3.47Å; E63-A66 PolarHBondContact O-N 3.45Å; E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.45Å |
| 64 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | I30 I36 L57 P60 P61 A67 F68 F88 N92 F93 | I30-V64 HydrophobicContact CD1-CB 4.29Å; I30-V64 HydrophobicContact CD1-CG1 4.26Å; I36-V64 HydrophobicContact CD1-CG1 4.07Å; L57-V64 HydrophobicContact CD2-CG1 4.37Å; L57-V64 HydrophobicContact CD2-CG2 4.35Å; P60-V64 PolarHBondContact O-N 2.88Å; P61-V64 PolarHBondContact O-N 2.89Å; V64-A67 PolarHBondContact O-N 3.18Å; V64-F68 PolarHBondContact O-N 3.41Å; V64-F88 HydrophobicContact CG1-CE1 4.35Å; V64-F88 HydrophobicContact CG1-CZ 3.74Å; V64-N92 HydrophobicContact CG1-CB 4.03Å; V64-N92 HydrophobicContact CG2-CB 4.25Å; V64-F93 HydrophobicContact CG1-CE2 3.98Å; V64-F93 HydrophobicContact CG1-CZ 4.16Å |
| 65 | L | 98.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.3 | -73 | 165.3 | 0 | 0 | 0 | 111.6 | E29 I30 I36 P61 F68 Q69 | E29-L65 HydrophobicContact CB-CD2 4.36Å; I30-L65 HydrophobicContact CD1-CD2 4.49Å; I30-L65 HydrophobicContact CD1-CG 4.16Å; I30-L65 HydrophobicContact CG1-CD2 3.97Å; I30-L65 HydrophobicContact CG1-CG 4.14Å; I36-L65 HydrophobicContact CD1-CD2 3.87Å; I36-L65 HydrophobicContact CD1-CG 4.49Å; P61-L65 WeakPolarHBondContact O-CB 3.44Å; P61-L65 WeakPolarHBondContact O-CD1 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.5Å; P61-L65 PolarHBondContact O-N 2.96Å; L65-F68 PolarHBondContact O-N 3.34Å; L65-Q69 WeakPolarHBondContact O-CB 3.35Å; L65-Q69 PolarHBondContact O-N 2.92Å |
| 66 | A | 98.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 58 Ų | 58 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G62 E63 F68 Q69 T70 | G62-A66 WeakPolarHBondContact O-CB 3.31Å; G62-A66 PolarHBondContact O-N 2.74Å; E63-A66 PolarHBondContact O-N 3.45Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-Q69 PolarHBondContact O-N 3.37Å; A66-T70 PolarHBondContact O-N 2.85Å; A66-T70 PolarHBondContact O-OG1 2.91Å |
| 67 | A | 97.9 | Very high | 95.9 | Very high | 38 Ų | 38 | 64 Ų | 64 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | E63 V64 T70 L71 F88 | E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.45Å; V64-A67 PolarHBondContact O-N 3.18Å; A67-T70 WeakPolarHBondContact O-CB 3.42Å; A67-T70 PolarHBondContact O-N 2.95Å; A67-L71 PolarHBondContact O-N 3.09Å; A67-L71 VanDerWaalsContact O-N 3.11Å; A67-F88 HydrophobicContact CB-CE2 3.97Å |
| 68 | F | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 177.3 | -163 | -108.6 | 0 | 0 | 0 | 112.6 | P35 I36 H39 M40 V64 L65 A66 T70 L71 L72 I80 L85 F88 | P35-F68 HydrophobicContact CB-CD1 4.45Å; P35-F68 HydrophobicContact CB-CE1 4.08Å; P35-F68 HydrophobicContact CG-CD1 4.42Å; I36-F68 HydrophobicContact CB-CD1 4.42Å; I36-F68 HydrophobicContact CD1-CB 3.73Å; I36-F68 HydrophobicContact CD1-CD1 4.37Å; I36-F68 HydrophobicContact CD1-CG 4.02Å; I36-F68 HydrophobicContact CG1-CB 3.67Å; I36-F68 HydrophobicContact CG1-CD1 3.39Å; I36-F68 HydrophobicContact CG1-CD2 3.97Å; I36-F68 HydrophobicContact CG1-CE1 3.97Å; I36-F68 HydrophobicContact CG1-CE2 4.49Å; I36-F68 HydrophobicContact CG1-CG 3.39Å; I36-F68 HydrophobicContact CG1-CZ 4.49Å; H39-F68 HydrophobicContact CB-CZ 3.79Å; H39-F68 AromaticContact CG-CZ 3.89Å; M40-F68 HydrophobicContact CE-CD2 4.38Å; M40-F68 HydrophobicContact CE-CE2 3.71Å; M40-F68 HydrophobicContact CE-CZ 4.48Å; V64-F68 PolarHBondContact O-N 3.41Å; L65-F68 PolarHBondContact O-N 3.34Å; A66-F68 VanDerWaalsContact C-N 3.34Å; F68-T70 PolarHBondContact O-N 3.22Å; F68-L71 HydrophobicContact CD2-CD2 4.09Å; F68-L71 HydrophobicContact CE2-CD2 3.97Å; F68-L71 WeakPolarHBondContact O-CB 3.49Å; F68-L71 PolarHBondContact O-N 3.18Å; F68-L71 VanDerWaalsContact O-N 3.12Å; F68-L72 HydrophobicContact CD1-CD1 3.68Å; F68-L72 HydrophobicContact CD1-CG 3.94Å; F68-L72 HydrophobicContact CE1-CD1 3.72Å; F68-L72 HydrophobicContact CE1-CD2 4Å; F68-L72 HydrophobicContact CE1-CG 3.77Å; F68-L72 HydrophobicContact CZ-CD2 4.47Å; F68-L72 HydrophobicContact CZ-CG 4.47Å; F68-L72 WeakPolarHBondContact O-CG 3.4Å; F68-L72 PolarHBondContact O-N 2.93Å; F68-I80 HydrophobicContact CZ-CD1 4.23Å; F68-L85 HydrophobicContact CE2-CD2 3.93Å; F68-L85 HydrophobicContact CZ-CD2 4.3Å; F68-F88 HydrophobicContact CB-CE1 4.43Å; F68-F88 HydrophobicContact CB-CE2 3.74Å; F68-F88 HydrophobicContact CB-CZ 3.61Å; F68-F88 AromaticContact CD2-CD1 3.95Å; F68-F88 HydrophobicContact CD2-CD1 3.95Å; F68-F88 HydrophobicContact CD2-CD2 4.06Å; F68-F88 AromaticContact CD2-CE1 3.67Å; F68-F88 HydrophobicContact CD2-CE1 3.67Å; F68-F88 AromaticContact CD2-CE2 3.83Å; F68-F88 HydrophobicContact CD2-CE2 3.83Å; F68-F88 HydrophobicContact CD2-CG 4.13Å; F68-F88 AromaticContact CD2-CZ 3.63Å; F68-F88 HydrophobicContact CD2-CZ 3.63Å; F68-F88 HydrophobicContact CE2-CD1 4.4Å; F68-F88 HydrophobicContact CE2-CE1 4.4Å; F68-F88 HydrophobicContact CG-CE1 4.42Å; F68-F88 HydrophobicContact CG-CE2 4.3Å; F68-F88 HydrophobicContact CG-CZ 4.05Å |
| 69 | Q | 97.4 | Very high | 95 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 174 | -173.2 | 59.8 | 45.7 | 0 | 0 | 111.6 | L65 A66 L72 N73 | L65-Q69 WeakPolarHBondContact O-CB 3.35Å; L65-Q69 PolarHBondContact O-N 2.92Å; A66-Q69 PolarHBondContact O-N 3.37Å; Q69-L72 PolarHBondContact O-N 3.41Å; Q69-N73 PolarHBondContact NE2-OD1 3.45Å; Q69-N73 WeakPolarHBondContact O-CB 3.45Å; Q69-N73 PolarHBondContact O-N 2.91Å; Q69-N73 PolarHBondContact O-ND2 3.27Å; Q69-N73 PolarHBondContact O-OD1 3.06Å |
| 70 | T | 96.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 173.2 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | A66 A67 F68 L72 N73 E74 | A66-T70 PolarHBondContact O-N 2.85Å; A66-T70 PolarHBondContact O-OG1 2.91Å; A67-T70 WeakPolarHBondContact O-CB 3.42Å; A67-T70 PolarHBondContact O-N 2.95Å; F68-T70 PolarHBondContact O-N 3.22Å; T70-L72 PolarHBondContact O-N 2.93Å; T70-N73 WeakPolarHBondContact O-CB 3.45Å; T70-N73 PolarHBondContact O-N 3.44Å; T70-E74 PolarHBondContact O-N 3.28Å; T70-E74 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 96.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175 | 179.8 | 61.9 | 0 | 0 | 0 | 112.2 | A67 F68 N73 E74 W75 I80 K84 L85 F88 | A67-L71 PolarHBondContact O-N 3.09Å; A67-L71 VanDerWaalsContact O-N 3.11Å; F68-L71 HydrophobicContact CD2-CD2 4.09Å; F68-L71 HydrophobicContact CE2-CD2 3.97Å; F68-L71 WeakPolarHBondContact O-CB 3.49Å; F68-L71 PolarHBondContact O-N 3.18Å; F68-L71 VanDerWaalsContact O-N 3.12Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.35Å; L71-E74 PolarHBondContact O-N 2.99Å; L71-W75 PolarHBondContact O-N 3.27Å; L71-I80 HydrophobicContact CD1-CG2 4.26Å; L71-I80 HydrophobicContact CD2-CD1 4.32Å; L71-I80 HydrophobicContact CD2-CG2 4.18Å; L71-I80 HydrophobicContact CG-CD1 4.1Å; L71-I80 HydrophobicContact CG-CG2 4.27Å; L71-K84 HydrophobicContact CD1-CB 4.19Å; L71-L85 HydrophobicContact CD2-CD2 4.32Å; L71-F88 HydrophobicContact CD2-CB 4.06Å; L71-F88 HydrophobicContact CD2-CD2 4.35Å; L71-F88 HydrophobicContact CD2-CG 4.3Å |
| 72 | L | 95.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.168 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175 | -74.9 | 168.7 | 0 | 0 | 0 | 111.8 | P35 F68 Q69 T70 E74 W75 L76 I80 | P35-L72 HydrophobicContact CB-CD1 4.09Å; P35-L72 HydrophobicContact CG-CD1 4.33Å; F68-L72 HydrophobicContact CD1-CD1 3.68Å; F68-L72 HydrophobicContact CD1-CG 3.94Å; F68-L72 HydrophobicContact CE1-CD1 3.72Å; F68-L72 HydrophobicContact CE1-CD2 4Å; F68-L72 HydrophobicContact CE1-CG 3.77Å; F68-L72 HydrophobicContact CZ-CD2 4.47Å; F68-L72 HydrophobicContact CZ-CG 4.47Å; F68-L72 WeakPolarHBondContact O-CG 3.4Å; F68-L72 PolarHBondContact O-N 2.93Å; Q69-L72 PolarHBondContact O-N 3.41Å; T70-L72 PolarHBondContact O-N 2.93Å; L72-E74 VanDerWaalsContact C-N 3.29Å; L72-E74 PolarHBondContact O-N 3.09Å; L72-W75 CarbonylContact O-C 3.47Å; L72-W75 PolarHBondContact O-N 3.4Å; L72-W75 VanDerWaalsContact O-N 3.15Å; L72-L76 PolarHBondContact O-N 2.79Å; L72-L76 VanDerWaalsContact O-N 3.15Å; L72-I80 HydrophobicContact CD2-CD1 3.82Å; L72-I80 HydrophobicContact CG-CD1 4.47Å |
| 73 | N | 94.5 | Very high | 94.6 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -31 | 179.8 | -69.3 | -17.6 | 0 | 0 | 0 | 112.7 | Q69 T70 L71 W75 L76 | Q69-N73 PolarHBondContact NE2-OD1 3.45Å; Q69-N73 WeakPolarHBondContact O-CB 3.45Å; Q69-N73 PolarHBondContact O-N 2.91Å; Q69-N73 PolarHBondContact O-ND2 3.27Å; Q69-N73 PolarHBondContact O-OD1 3.06Å; T70-N73 WeakPolarHBondContact O-CB 3.45Å; T70-N73 PolarHBondContact O-N 3.44Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.35Å; N73-W75 VanDerWaalsContact C-N 3.25Å; N73-W75 PolarHBondContact O-N 2.91Å; N73-L76 WeakPolarHBondContact O-CG 3.42Å |
| 74 | E | 94.2 | Very high | 94.6 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.1 | -25.5 | 175 | -70.7 | 176.7 | -173.4 | 0 | 0 | 112.8 | T70 L71 L72 | T70-E74 PolarHBondContact O-N 3.28Å; T70-E74 VanDerWaalsContact O-N 3.15Å; L71-E74 PolarHBondContact O-N 2.99Å; L72-E74 VanDerWaalsContact C-N 3.29Å; L72-E74 PolarHBondContact O-N 3.09Å |
| 75 | W | 92.4 | Very high | 94.5 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 28% | 0.284 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 22.3 | -173.3 | -63.2 | 85.1 | 0 | 0 | 0 | 113.5 | L71 L72 N73 N77 S78 I80 P81 K84 | L71-W75 PolarHBondContact O-N 3.27Å; L72-W75 CarbonylContact O-C 3.47Å; L72-W75 PolarHBondContact O-N 3.4Å; L72-W75 VanDerWaalsContact O-N 3.15Å; N73-W75 VanDerWaalsContact C-N 3.25Å; N73-W75 PolarHBondContact O-N 2.91Å; W75-N77 PolarHBondContact O-N 3.21Å; W75-S78 VanDerWaalsContact CE3-OG 3.28Å; W75-S78 CarbonylContact O-C 3.53Å; W75-S78 PolarHBondContact O-N 3.23Å; W75-S78 PolarHBondContact O-OG 2.83Å; W75-I80 HydrophobicContact CB-CG1 3.9Å; W75-I80 HydrophobicContact CG-CG1 4.12Å; W75-P81 HydrophobicContact CE3-CG 4.17Å; W75-P81 HydrophobicContact CH2-CG 3.33Å; W75-P81 HydrophobicContact CZ2-CG 3.71Å; W75-P81 HydrophobicContact CZ3-CG 3.59Å; W75-K84 HydrophobicContact CZ2-CG 4.29Å |
| 76 | L | 85.2 | Confident | 94.5 | Very high | 128 Ų | 128 | 71.1 Ų | 71.1 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -30.6 | -174.1 | -74.7 | 167.1 | 0 | 0 | 0 | 116.4 | L72 N73 | L72-L76 PolarHBondContact O-N 2.79Å; L72-L76 VanDerWaalsContact O-N 3.15Å; N73-L76 WeakPolarHBondContact O-CG 3.42Å |
| 77 | N | 84.1 | Confident | 94.5 | Very high | 167 Ų | 167 | 73.2 Ų | 73.2 | 89% | 0.893 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 14.1 | -176.5 | -61.4 | -43.8 | 0 | 0 | 0 | 113.3 | W75 | W75-N77 PolarHBondContact O-N 3.21Š|
| 78 | S | 87.9 | Confident | 94.5 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -154.5 | 157.1 | -170.9 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | W75 | W75-S78 VanDerWaalsContact CE3-OG 3.28Å; W75-S78 CarbonylContact O-C 3.53Å; W75-S78 PolarHBondContact O-N 3.23Å; W75-S78 PolarHBondContact O-OG 2.83Å |
| 79 | S | 90.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 72.5 Ų | 72.5 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 136 | 171.1 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | P81 | S79-P81 WeakPolarHBondContact O-CD 3.27Š|
| 80 | I | 94.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 125.5 | 171.3 | -57.7 | 170.2 | 0 | 0 | 0 | 108.6 | F68 L71 L72 W75 K84 L85 | F68-I80 HydrophobicContact CZ-CD1 4.23Å; L71-I80 HydrophobicContact CD1-CG2 4.26Å; L71-I80 HydrophobicContact CD2-CD1 4.32Å; L71-I80 HydrophobicContact CD2-CG2 4.18Å; L71-I80 HydrophobicContact CG-CD1 4.1Å; L71-I80 HydrophobicContact CG-CG2 4.27Å; L72-I80 HydrophobicContact CD2-CD1 3.82Å; L72-I80 HydrophobicContact CG-CD1 4.47Å; W75-I80 HydrophobicContact CB-CG1 3.9Å; W75-I80 HydrophobicContact CG-CG1 4.12Å; I80-K84 HydrophobicContact CG2-CB 3.85Å; I80-L85 HydrophobicContact CB-CD2 4.2Å; I80-L85 HydrophobicContact CB-CG 4.36Å; I80-L85 HydrophobicContact CD1-CD2 4.18Å; I80-L85 HydrophobicContact CG2-CD2 3.72Å; I80-L85 HydrophobicContact CG2-CG 3.79Å |
| 81 | P | 95.2 | Very high | 94.6 | Very high | 42 Ų | 42 | 74.6 Ų | 74.6 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 143.3 | 176 | -22.3 | 32.9 | 0 | 0 | 0 | 111.7 | W75 S79 T83 K84 L85 | W75-P81 HydrophobicContact CE3-CG 4.17Å; W75-P81 HydrophobicContact CH2-CG 3.33Å; W75-P81 HydrophobicContact CZ2-CG 3.71Å; W75-P81 HydrophobicContact CZ3-CG 3.59Å; S79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-T83 PolarHBondContact O-N 3.15Å; P81-T83 VanDerWaalsContact O-N 3.14Å; P81-K84 HydrophobicContact CB-CG 4.46Å; P81-K84 HydrophobicContact CG-CG 4.4Å; P81-K84 WeakPolarHBondContact O-CB 3.32Å; P81-K84 PolarHBondContact O-N 3.25Å; P81-L85 PolarHBondContact O-N 2.9Å |
| 82 | K | 95.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 74.8 Ų | 74.8 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -51 | -41.1 | 177.6 | -67.9 | -163.5 | -176.9 | -157.6 | 0 | 112.8 | A43 L45 K84 L85 E86 | A43-K82 WeakPolarHBondContact O-CE 3.38Å; A43-K82 PolarHBondContact O-NZ 2.63Å; L45-K82 HydrophobicContact CD2-CB 4.06Å; L45-K82 HydrophobicContact CD2-CD 4.22Å; L45-K82 HydrophobicContact CD2-CG 4.22Å; K82-K84 PolarHBondContact O-N 2.97Å; K82-L85 WeakPolarHBondContact O-CB 3.22Å; K82-L85 PolarHBondContact O-N 3.09Å; K82-E86 WeakPolarHBondContact O-CG 3.16Å; K82-E86 PolarHBondContact O-N 3.44Å |
| 83 | T | 96.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -32.3 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | P81 E86 E87 | P81-T83 PolarHBondContact O-N 3.15Å; P81-T83 VanDerWaalsContact O-N 3.14Å; T83-E86 WeakPolarHBondContact CA-OE2 3.3Å; T83-E87 VanDerWaalsContact O-CG 3.29Å; T83-E87 WeakPolarHBondContact O-CG 3.34Å; T83-E87 PolarHBondContact O-N 3.41Å |
| 84 | K | 97.7 | Very high | 95 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -76.3 | -32.8 | 176.1 | -67.9 | -49.1 | -170 | -170 | 0 | 112.8 | L71 W75 I80 P81 K82 E87 F88 | L71-K84 HydrophobicContact CD1-CB 4.19Å; W75-K84 HydrophobicContact CZ2-CG 4.29Å; I80-K84 HydrophobicContact CG2-CB 3.85Å; P81-K84 HydrophobicContact CB-CG 4.46Å; P81-K84 HydrophobicContact CG-CG 4.4Å; P81-K84 WeakPolarHBondContact O-CB 3.32Å; P81-K84 PolarHBondContact O-N 3.25Å; K82-K84 PolarHBondContact O-N 2.97Å; K84-E87 VanDerWaalsContact CD-OE2 3.26Å; K84-E87 WeakPolarHBondContact CD-OE2 3.27Å; K84-E87 IonicContact NZ-OE1 2.87Å; K84-E87 PolarHBondContact NZ-OE1 3.24Å; K84-E87 IonicContact NZ-OE2 3.56Å; K84-E87 PolarHBondContact NZ-OE2 3.35Å; K84-F88 WeakPolarHBondContact O-CB 3.42Å; K84-F88 PolarHBondContact O-N 3.39Å |
| 85 | L | 97.8 | Very high | 95 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 171.4 | -60.6 | 172.4 | 0 | 0 | 0 | 111.1 | H39 M40 A43 L45 F68 L71 I80 P81 K82 F88 L89 | H39-L85 HydrophobicContact CB-CD2 4.26Å; M40-L85 HydrophobicContact CE-CB 4.1Å; M40-L85 HydrophobicContact CE-CD2 3.64Å; M40-L85 HydrophobicContact CE-CG 4.43Å; M40-L85 HydrophobicContact SD-CB 4.14Å; M40-L85 HydrophobicContact SD-CD2 4.45Å; A43-L85 HydrophobicContact CB-CD1 3.47Å; A43-L85 VanDerWaalsContact CB-CD1 3.47Å; L45-L85 HydrophobicContact CD1-CB 3.86Å; F68-L85 HydrophobicContact CE2-CD2 3.93Å; F68-L85 HydrophobicContact CZ-CD2 4.3Å; L71-L85 HydrophobicContact CD2-CD2 4.32Å; I80-L85 HydrophobicContact CB-CD2 4.2Å; I80-L85 HydrophobicContact CB-CG 4.36Å; I80-L85 HydrophobicContact CD1-CD2 4.18Å; I80-L85 HydrophobicContact CG2-CD2 3.72Å; I80-L85 HydrophobicContact CG2-CG 3.79Å; P81-L85 PolarHBondContact O-N 2.9Å; K82-L85 WeakPolarHBondContact O-CB 3.22Å; K82-L85 PolarHBondContact O-N 3.09Å; L85-F88 WeakPolarHBondContact O-CB 3.23Å; L85-F88 PolarHBondContact O-N 3.12Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 2.95Å |
| 86 | E | 97.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 70.6 Ų | 70.6 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 173.6 | -70 | 168.7 | 164.2 | 0 | 0 | 111.9 | L45 K82 T83 F88 L89 E90 | L45-E86 HydrophobicContact CD1-CG 4.5Å; L45-E86 HydrophobicContact CD2-CG 4.11Å; K82-E86 WeakPolarHBondContact O-CG 3.16Å; K82-E86 PolarHBondContact O-N 3.44Å; T83-E86 WeakPolarHBondContact CA-OE2 3.3Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.03Å; E86-L89 PolarHBondContact O-N 3.33Å; E86-E90 PolarHBondContact O-N 3.03Å |
| 87 | E | 98.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.5 | -75.2 | 171.2 | -153.1 | 0 | 0 | 111.4 | T83 K84 E90 A91 | T83-E87 VanDerWaalsContact O-CG 3.29Å; T83-E87 WeakPolarHBondContact O-CG 3.34Å; T83-E87 PolarHBondContact O-N 3.41Å; K84-E87 VanDerWaalsContact CD-OE2 3.26Å; K84-E87 WeakPolarHBondContact CD-OE2 3.27Å; K84-E87 IonicContact NZ-OE1 2.87Å; K84-E87 PolarHBondContact NZ-OE1 3.24Å; K84-E87 IonicContact NZ-OE2 3.56Å; K84-E87 PolarHBondContact NZ-OE2 3.35Å; E87-E90 PolarHBondContact O-N 3.37Å; E87-A91 WeakPolarHBondContact O-CB 3.47Å; E87-A91 PolarHBondContact O-N 2.87Å |
| 88 | F | 98.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.9 | 176.4 | -92.2 | 0 | 0 | 0 | 112.2 | I36 M40 V64 A67 F68 L71 K84 L85 E86 A91 N92 F93 | I36-F88 HydrophobicContact CD1-CE1 4.49Å; I36-F88 HydrophobicContact CD1-CZ 4.21Å; I36-F88 HydrophobicContact CG2-CE1 4.42Å; M40-F88 HydrophobicContact CE-CD1 3.51Å; M40-F88 HydrophobicContact CE-CE1 4.03Å; M40-F88 HydrophobicContact CE-CG 4.42Å; V64-F88 HydrophobicContact CG1-CE1 4.35Å; V64-F88 HydrophobicContact CG1-CZ 3.74Å; A67-F88 HydrophobicContact CB-CE2 3.97Å; F68-F88 HydrophobicContact CB-CE1 4.43Å; F68-F88 HydrophobicContact CB-CE2 3.74Å; F68-F88 HydrophobicContact CB-CZ 3.61Å; F68-F88 AromaticContact CD2-CD1 3.95Å; F68-F88 HydrophobicContact CD2-CD1 3.95Å; F68-F88 HydrophobicContact CD2-CD2 4.06Å; F68-F88 AromaticContact CD2-CE1 3.67Å; F68-F88 HydrophobicContact CD2-CE1 3.67Å; F68-F88 AromaticContact CD2-CE2 3.83Å; F68-F88 HydrophobicContact CD2-CE2 3.83Å; F68-F88 HydrophobicContact CD2-CG 4.13Å; F68-F88 AromaticContact CD2-CZ 3.63Å; F68-F88 HydrophobicContact CD2-CZ 3.63Å; F68-F88 HydrophobicContact CE2-CD1 4.4Å; F68-F88 HydrophobicContact CE2-CE1 4.4Å; F68-F88 HydrophobicContact CG-CE1 4.42Å; F68-F88 HydrophobicContact CG-CE2 4.3Å; F68-F88 HydrophobicContact CG-CZ 4.05Å; L71-F88 HydrophobicContact CD2-CB 4.06Å; L71-F88 HydrophobicContact CD2-CD2 4.35Å; L71-F88 HydrophobicContact CD2-CG 4.3Å; K84-F88 WeakPolarHBondContact O-CB 3.42Å; K84-F88 PolarHBondContact O-N 3.39Å; L85-F88 WeakPolarHBondContact O-CB 3.23Å; L85-F88 PolarHBondContact O-N 3.12Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.03Å; F88-A91 PolarHBondContact O-N 3.49Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.47Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.47Å; F88-N92 HydrophobicContact CZ-CB 4.4Å; F88-N92 WeakPolarHBondContact O-CB 3.46Å; F88-N92 PolarHBondContact O-N 3.44Å; F88-N92 PolarHBondContact O-ND2 3.05Å; F88-F93 HydrophobicContact CD1-CE2 4.45Å; F88-F93 AromaticContact CE1-CE2 3.78Å; F88-F93 HydrophobicContact CE1-CE2 3.78Å; F88-F93 HydrophobicContact CZ-CE2 4.5Å |
| 89 | L | 97.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.9 | -75.6 | -179.7 | 0 | 0 | 0 | 111.3 | M40 L45 F46 F52 M55 L85 E86 A91 N92 F93 | M40-L89 HydrophobicContact CE-CD2 4.36Å; M40-L89 HydrophobicContact CE-CG 4.36Å; M40-L89 HydrophobicContact CG-CD2 4.31Å; M40-L89 HydrophobicContact SD-CD1 3.87Å; M40-L89 HydrophobicContact SD-CD2 3.71Å; M40-L89 HydrophobicContact SD-CG 3.66Å; L45-L89 HydrophobicContact CD1-CD1 3.57Å; F46-L89 HydrophobicContact CE2-CD1 3.85Å; F46-L89 HydrophobicContact CZ-CD1 3.97Å; F52-L89 HydrophobicContact CD2-CD2 3.76Å; F52-L89 HydrophobicContact CE2-CD2 3.6Å; M55-L89 HydrophobicContact SD-CD2 4.14Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 2.95Å; E86-L89 PolarHBondContact O-N 3.33Å; L89-A91 VanDerWaalsContact C-N 3.25Å; L89-A91 PolarHBondContact O-N 3.05Å; L89-N92 PolarHBondContact O-N 2.7Å; L89-F93 HydrophobicContact CD2-CD2 3.7Å; L89-F93 HydrophobicContact CD2-CE2 4.03Å; L89-F93 HydrophobicContact CD2-CG 4.12Å; L89-F93 WeakPolarHBondContact O-CB 3.39Å; L89-F93 PolarHBondContact O-N 3.38Å |
| 90 | E | 97.4 | Very high | 96.3 | Very high | 150 Ų | 150 | 53 Ų | 53 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.3 | -37.6 | 178.7 | -174.9 | 172.7 | -165.7 | 0 | 0 | 111.6 | K58 E86 E87 | K58-E90 PolarHBondContact NZ-O 2.82Å; E86-E90 PolarHBondContact O-N 3.03Å; E87-E90 PolarHBondContact O-N 3.37Å |
| 91 | A | 98.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 55% | 0.554 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -71.6 | -35.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K58 E87 F88 L89 | K58-A91 WeakPolarHBondContact CD-O 3.5Å; E87-A91 WeakPolarHBondContact O-CB 3.47Å; E87-A91 PolarHBondContact O-N 2.87Å; F88-A91 PolarHBondContact O-N 3.49Å; L89-A91 VanDerWaalsContact C-N 3.25Å; L89-A91 PolarHBondContact O-N 3.05Å |
| 92 | N | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -114.2 | -13.3 | -165.6 | -66.3 | -82.9 | 0 | 0 | 0 | 115.3 | K58 V64 F88 L89 | K58-N92 WeakPolarHBondContact CB-O 3.13Å; K58-N92 PolarHBondContact N-O 3.02Å; V64-N92 HydrophobicContact CG1-CB 4.03Å; V64-N92 HydrophobicContact CG2-CB 4.25Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.47Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.47Å; F88-N92 HydrophobicContact CZ-CB 4.4Å; F88-N92 WeakPolarHBondContact O-CB 3.46Å; F88-N92 PolarHBondContact O-N 3.44Å; F88-N92 PolarHBondContact O-ND2 3.05Å; L89-N92 PolarHBondContact O-N 2.7Å |
| 93 | F | 98.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.9 | -173.9 | -64.8 | -105 | 0 | 0 | 0 | 112.9 | I30 Y31 I36 F52 M55 K56 L57 K58 V64 F88 L89 | I30-F93 HydrophobicContact CG2-CE1 4.1Å; I30-F93 HydrophobicContact CG2-CZ 3.91Å; Y31-F93 HydrophobicContact CE1-CE1 4.35Å; I36-F93 HydrophobicContact CG2-CZ 4.41Å; F52-F93 HydrophobicContact CE2-CD1 4.34Å; F52-F93 AromaticContact CE2-CE1 3.78Å; F52-F93 HydrophobicContact CE2-CE1 3.78Å; F52-F93 HydrophobicContact CE2-CE2 4.4Å; F52-F93 AromaticContact CE2-CZ 3.84Å; F52-F93 HydrophobicContact CE2-CZ 3.84Å; F52-F93 HydrophobicContact CZ-CE1 4.1Å; F52-F93 HydrophobicContact CZ-CZ 4.06Å; M55-F93 HydrophobicContact CB-CB 4.12Å; M55-F93 HydrophobicContact CB-CD1 3.7Å; M55-F93 HydrophobicContact CB-CG 4.33Å; M55-F93 HydrophobicContact CE-CB 3.54Å; M55-F93 HydrophobicContact CE-CG 4.46Å; M55-F93 HydrophobicContact SD-CB 4.19Å; K56-F93 CarbonylContact O-C 3.09Å; K56-F93 WeakPolarHBondContact O-CA 3.41Å; L57-F93 HydrophobicContact CD2-CD1 3.7Å; L57-F93 HydrophobicContact CD2-CE1 3.18Å; L57-F93 HydrophobicContact CD2-CE2 4.25Å; L57-F93 HydrophobicContact CD2-CG 4.45Å; L57-F93 HydrophobicContact CD2-CZ 3.48Å; L57-F93 VanDerWaalsContact CD2-CZ 3.48Å; K58-F93 VanDerWaalsContact CE-C 3.49Å; K58-F93 WeakPolarHBondContact CE-O 3.49Å; K58-F93 PolarHBondContact NZ-O 3.04Å; V64-F93 HydrophobicContact CG1-CE2 3.98Å; V64-F93 HydrophobicContact CG1-CZ 4.16Å; F88-F93 HydrophobicContact CD1-CE2 4.45Å; F88-F93 AromaticContact CE1-CE2 3.78Å; F88-F93 HydrophobicContact CE1-CE2 3.78Å; F88-F93 HydrophobicContact CZ-CE2 4.5Å; L89-F93 HydrophobicContact CD2-CD2 3.7Å; L89-F93 HydrophobicContact CD2-CE2 4.03Å; L89-F93 HydrophobicContact CD2-CG 4.12Å; L89-F93 WeakPolarHBondContact O-CB 3.39Å; L89-F93 PolarHBondContact O-N 3.38Å |
| 94 | D | 97.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 155.5 | 164.7 | -74.5 | -31.2 | 0 | 0 | 0 | 110.1 | M55 K56 K58 T98 | M55-D94 WeakPolarHBondContact CB-O 3.09Å; K56-D94 HydrophobicContact CB-CB 4.2Å; K56-D94 HydrophobicContact CD-CB 4.17Å; K56-D94 PolarHBondContact N-O 3.48Å; K56-D94 IonicContact NZ-OD2 3.94Å; K56-D94 PolarHBondContact NZ-OD2 3.34Å; K56-D94 PolarHBondContact O-N 2.97Å; K58-D94 WeakPolarHBondContact CE-OD1 3.44Å; D94-T98 HydrophobicContact CB-CG2 4.33Å |
| 95 | K | 95.1 | Very high | 95.1 | Very high | 165 Ų | 165 | 54.4 Ų | 54.4 | 72% | 0.717 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 152.2 | 178.8 | -67 | -177.3 | 179.6 | -179.8 | 0 | 111.7 | T98 | K95-T98 VanDerWaalsContact O-CG2 3.27Å; K95-T98 WeakPolarHBondContact O-CG2 3.37Å; K95-T98 PolarHBondContact O-OG1 3.26Å |
| 96 | P | 94.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 146.3 | 173.1 | -26.1 | 37.3 | 0 | 0 | 0 | 112 | H51 D54 M55 R169 | H51-P96 VanDerWaalsContact O-CG 3.25Å; H51-P96 WeakPolarHBondContact O-CG 3.33Å; D54-P96 HydrophobicContact CB-CB 3.87Å; D54-P96 HydrophobicContact CB-CG 4.15Å; M55-P96 HydrophobicContact CG-CG 3.95Å; P96-R169 PolarHBondContact O-NH1 3.06Å |
| 97 | G | 92.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -4.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E99 F100 | G97-E99 WeakPolarHBondContact CA-OE2 3.39Å; G97-E99 PolarHBondContact N-OE1 3.45Å; G97-E99 PolarHBondContact N-OE2 2.63Å; G97-E99 PolarHBondContact O-N 2.87Å; G97-F100 PolarHBondContact O-N 3.06Å |
| 98 | T | 93.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.8 | 175.2 | 53 | 0 | 0 | 0 | 0 | 113.1 | D94 K95 F100 Q142 | D94-T98 HydrophobicContact CB-CG2 4.33Å; K95-T98 VanDerWaalsContact O-CG2 3.27Å; K95-T98 WeakPolarHBondContact O-CG2 3.37Å; K95-T98 PolarHBondContact O-OG1 3.26Å; T98-F100 VanDerWaalsContact C-N 3.31Å; T98-Q142 PolarHBondContact O-NE2 2.89Å |
| 99 | E | 93.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.4 | 172.6 | 64.9 | -85.9 | -162.7 | 0 | 0 | 113.9 | G97 Q142 V145 Y152 Q154 R214 | G97-E99 WeakPolarHBondContact CA-OE2 3.39Å; G97-E99 PolarHBondContact N-OE1 3.45Å; G97-E99 PolarHBondContact N-OE2 2.63Å; G97-E99 PolarHBondContact O-N 2.87Å; E99-Q142 PolarHBondContact O-N 3.5Å; E99-V145 HydrophobicContact CB-CG2 4.04Å; E99-Y152 HydrophobicContact CB-CD1 3.83Å; E99-Y152 HydrophobicContact CB-CE1 4.07Å; E99-Q154 HydrophobicContact CB-CB 4.17Å; E99-Q154 HydrophobicContact CB-CG 4.37Å; E99-Q154 HydrophobicContact CG-CB 3.95Å; E99-Q154 HydrophobicContact CG-CG 4.05Å; E99-R214 IonicContact OE1-CZ 3.29Å; E99-R214 IonicContact OE1-NH1 3.07Å; E99-R214 PolarHBondContact OE1-NH1 3.22Å; E99-R214 IonicContact OE1-NH2 3.08Å; E99-R214 PolarHBondContact OE1-NH2 2.8Å |
| 100 | F | 93.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 151.2 | -179.5 | -55.7 | -69.8 | 0 | 0 | 0 | 112 | G97 T98 R139 K140 I141 Q142 R169 | G97-F100 PolarHBondContact O-N 3.06Å; T98-F100 VanDerWaalsContact C-N 3.31Å; F100-R139 HydrophobicContact CD1-CB 3.98Å; F100-R139 HydrophobicContact CE1-CB 4.41Å; F100-R139 HydrophobicContact CG-CB 4.45Å; F100-K140 CarbonylContact C-O 3.47Å; F100-K140 VanDerWaalsContact CA-O 3.31Å; F100-K140 WeakPolarHBondContact CA-O 3.39Å; F100-I141 HydrophobicContact CD1-CG1 4.07Å; F100-I141 HydrophobicContact CE1-CG1 3.86Å; F100-Q142 PolarHBondContact O-NE2 2.9Å; F100-R169 WeakPolarHBondContact CE1-O 3.42Å; F100-R169 HydrophobicContact CE2-CB 3.7Å; F100-R169 WeakPolarHBondContact CE2-O 3.43Å; F100-R169 HydrophobicContact CZ-CB 4.19Å; F100-R169 WeakPolarHBondContact CZ-O 3.39Å |
| 101 | E | 91.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 155.9 | 163.8 | 61.7 | -177.6 | -157.6 | 0 | 0 | 110.3 | W103 K140 Q142 | E101-W103 PolarHBondContact O-N 2.85Å; E101-K140 HydrophobicContact CG-CB 3.91Å; E101-K140 HydrophobicContact CG-CD 4.22Å; E101-K140 HydrophobicContact CG-CG 4.03Å; E101-K140 PolarHBondContact N-O 3Å; E101-K140 PolarHBondContact O-N 3.39Å; E101-K140 WeakPolarHBondContact OE1-CD 3.39Å; E101-K140 WeakPolarHBondContact OE1-CE 3.43Å; E101-K140 IonicContact OE1-NZ 2.69Å; E101-K140 PolarHBondContact OE1-NZ 2.86Å; E101-Q142 HydrophobicContact CB-CG 4.1Å; E101-Q142 HydrophobicContact CG-CG 4.44Å |
| 102 | T | 87.6 | Confident | 94.4 | Very high | 142 Ų | 142 | 60.8 Ų | 60.8 | 87% | 0.871 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 131.6 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 103 | W | 92.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | trans | -137.3 | 136.3 | 177.5 | 172.1 | 71.9 | 0 | 0 | 0 | 110.2 | E101 P105 K140 P160 T191 | E101-W103 PolarHBondContact O-N 2.85Å; W103-P105 HydrophobicContact CE3-CG 4.32Å; W103-P105 HydrophobicContact CH2-CB 3.71Å; W103-P105 HydrophobicContact CH2-CG 3.55Å; W103-P105 VanDerWaalsContact CZ2-CA 3.43Å; W103-P105 HydrophobicContact CZ2-CB 3.89Å; W103-P105 HydrophobicContact CZ2-CG 4.11Å; W103-P105 HydrophobicContact CZ3-CB 4.35Å; W103-P105 HydrophobicContact CZ3-CG 3.68Å; W103-K140 HydrophobicContact CB-CB 3.59Å; W103-K140 HydrophobicContact CG-CB 4.04Å; W103-P160 HydrophobicContact CD2-CB 3.38Å; W103-P160 HydrophobicContact CD2-CG 3.81Å; W103-P160 VanDerWaalsContact CE2-CG 3.44Å; W103-P160 HydrophobicContact CE3-CB 3.52Å; W103-P160 HydrophobicContact CE3-CG 4.43Å; W103-P160 HydrophobicContact CG-CB 4.03Å; W103-P160 HydrophobicContact CG-CG 4.13Å; W103-P160 HydrophobicContact CH2-CB 3.69Å; W103-P160 HydrophobicContact CH2-CG 4.4Å; W103-P160 HydrophobicContact CZ2-CB 3.55Å; W103-P160 HydrophobicContact CZ2-CG 3.77Å; W103-P160 HydrophobicContact CZ3-CB 3.67Å; W103-T191 HydrophobicContact CH2-CG2 3.66Å; W103-T191 HydrophobicContact CZ3-CG2 4.47Å | ||
| 104 | T | 88.9 | Confident | 94.3 | Very high | 84 Ų | 84 | 69 Ų | 69 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | trans | -114.7 | 127 | 171.6 | -56.8 | 0 | 0 | 0 | 0 | 107.8 | T106 K135 | T104-T106 PolarHBondContact O-N 3.18Å; T104-K135 HydrophobicContact CG2-CG 4.47Å | ||
| 105 | P | 93.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | trans | -56.7 | 127.6 | 175.8 | -19.7 | 27.4 | 0 | 0 | 0 | 111.7 | W103 W108 M188 | W103-P105 HydrophobicContact CE3-CG 4.32Å; W103-P105 HydrophobicContact CH2-CB 3.71Å; W103-P105 HydrophobicContact CH2-CG 3.55Å; W103-P105 VanDerWaalsContact CZ2-CA 3.43Å; W103-P105 HydrophobicContact CZ2-CB 3.89Å; W103-P105 HydrophobicContact CZ2-CG 4.11Å; W103-P105 HydrophobicContact CZ3-CB 4.35Å; W103-P105 HydrophobicContact CZ3-CG 3.68Å; P105-W108 HydrophobicContact CB-CB 4.2Å; P105-M188 HydrophobicContact CB-CE 3.26Å; P105-M188 HydrophobicContact CG-CE 3.51Å | ||
| 106 | T | 94.3 | Very high | 94.4 | Very high | 134 Ų | 134 | 64.7 Ų | 64.7 | 82% | 0.822 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20.2 | -175.5 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | T104 | T104-T106 PolarHBondContact O-N 3.18Š|
| 107 | D | 96.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 4.6 | 178.6 | 61 | -18.3 | 0 | 0 | 0 | 112.8 | M188 T189 E190 T191 | D107-M188 WeakPolarHBondContact OD2-CA 3.27Å; D107-T189 PolarHBondContact OD2-N 3.07Å; D107-E190 HydrophobicContact CB-CB 4.32Å; D107-E190 WeakPolarHBondContact OD2-CA 3.39Å; D107-E190 WeakPolarHBondContact OD2-CB 3.35Å; D107-E190 PolarHBondContact OD2-N 2.91Å; D107-T191 PolarHBondContact OD1-OG1 3.39Å; D107-T191 PolarHBondContact OD2-N 3.09Å; D107-T191 PolarHBondContact OD2-OG1 3.46Å |
| 108 | W | 97.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | trans | -69.2 | 133.2 | 172.3 | -173.7 | 94.9 | 0 | 0 | 0 | 110.5 | P105 E110 H131 K135 M188 | P105-W108 HydrophobicContact CB-CB 4.2Å; W108-E110 HydrophobicContact CH2-CB 4.04Å; W108-E110 HydrophobicContact CH2-CG 4.31Å; W108-E110 HydrophobicContact CZ3-CB 4.11Å; W108-H131 AromaticContact CD1-CE1 3.63Å; W108-H131 AromaticContact CD1-NE2 3.75Å; W108-H131 AromaticContact CD2-NE2 3.97Å; W108-H131 AromaticContact CE2-CD2 3.77Å; W108-H131 AromaticContact CE2-CE1 3.87Å; W108-H131 AromaticContact CE2-NE2 3.18Å; W108-H131 AromaticContact CZ2-CD2 3.63Å; W108-H131 AromaticContact CZ2-NE2 3.42Å; W108-H131 WeakPolarHBondContact CZ2-NE2 3.44Å; W108-H131 AromaticContact NE1-CD2 3.62Å; W108-H131 AromaticContact NE1-CE1 3.28Å; W108-H131 PolarHBondContact NE1-CE1 2.86Å; W108-H131 VanDerWaalsContact NE1-CE1 3.28Å; W108-H131 AromaticContact NE1-ND1 3.91Å; W108-H131 AromaticContact NE1-NE2 3.04Å; W108-H131 PolarHBondContact NE1-NE2 3.23Å; W108-H131 PolarHBondContact NE1-O 3.35Å; W108-H131 VanDerWaalsContact NE1-O 3.07Å; W108-K135 HydrophobicContact CD2-CD 3.79Å; W108-K135 HydrophobicContact CD2-CG 4.08Å; W108-K135 HydrophobicContact CE3-CD 4.03Å; W108-K135 HydrophobicContact CG-CD 4.24Å; W108-K135 HydrophobicContact CG-CG 4.02Å; W108-K135 HydrophobicContact CH2-CD 4.43Å; W108-K135 HydrophobicContact CZ2-CD 4.19Å; W108-K135 HydrophobicContact CZ3-CD 4.34Å; W108-M188 HydrophobicContact CB-CE 4.09Å; W108-M188 HydrophobicContact CB-SD 4.3Å; W108-M188 HydrophobicContact CG-SD 4.34Å | ||
| 109 | Q | 95.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | trans | -133.7 | 144.7 | 177 | 62 | 175.8 | 21.1 | 0 | 0 | 111 | K111 P112 H131 E187 | Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.49Å; Q109-P112 WeakPolarHBondContact O-CD 3.4Å; Q109-H131 PolarHBondContact O-NE2 2.9Å; Q109-E187 PolarHBondContact NE2-OE2 3Å | ||
| 110 | E | 94.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -62.6 | -33.7 | -168.2 | -171 | 175.3 | -158.9 | 0 | 0 | 114.8 | W108 P112 | W108-E110 HydrophobicContact CH2-CB 4.04Å; W108-E110 HydrophobicContact CH2-CG 4.31Å; W108-E110 HydrophobicContact CZ3-CB 4.11Å; E110-P112 WeakPolarHBondContact O-CD 3.43Å |
| 111 | K | 95.8 | Very high | 95.5 | Very high | 153 Ų | 153 | 72.1 Ų | 72.1 | 67% | 0.665 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -128.3 | 72.4 | -172.4 | -63.9 | -172.3 | 179.8 | -177.9 | 0 | 111.8 | Q109 | Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.49Å |
| 112 | P | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | trans | -63.3 | 149.2 | 175.4 | 29.2 | -37.3 | 0 | 0 | 0 | 111.6 | Q109 E110 F114 L115 E187 | Q109-P112 WeakPolarHBondContact O-CD 3.4Å; E110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-F114 VanDerWaalsContact C-N 3.29Å; P112-F114 HydrophobicContact CB-CD1 3.84Å; P112-F114 HydrophobicContact CB-CE1 3.9Å; P112-F114 HydrophobicContact CG-CD1 3.77Å; P112-F114 HydrophobicContact CG-CE1 3.34Å; P112-F114 HydrophobicContact CG-CZ 4.34Å; P112-F114 PolarHBondContact O-N 2.88Å; P112-L115 HydrophobicContact CG-CD1 4Å; P112-L115 HydrophobicContact CG-CG 4.13Å; P112-L115 PolarHBondContact O-N 2.91Å; P112-E187 VanDerWaalsContact CA-OE2 3.23Å; P112-E187 WeakPolarHBondContact CA-OE2 3.39Å | ||
| 113 | R | 97.4 | Very high | 96.3 | Very high | 186 Ų | 186 | 67.6 Ų | 67.6 | 70% | 0.702 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57 | -36.2 | -170 | -77.6 | -178.4 | -116.5 | 178.8 | 0.2 | 114.4 | L115 S116 E187 | R113-L115 PolarHBondContact O-N 3.43Å; R113-L115 VanDerWaalsContact O-N 3.13Å; R113-S116 WeakPolarHBondContact O-CB 3.35Å; R113-S116 PolarHBondContact O-N 2.92Å; R113-S116 PolarHBondContact O-OG 2.87Å; R113-E187 IonicContact CZ-OE1 3.71Å; R113-E187 PolarHBondContact N-OE2 3.38Å; R113-E187 IonicContact NE-OE1 2.75Å; R113-E187 PolarHBondContact NE-OE1 3.13Å; R113-E187 IonicContact NE-OE2 3.73Å; R113-E187 IonicContact NH2-OE1 3.18Å; R113-E187 PolarHBondContact NH2-OE1 3.17Å |
| 114 | F | 97.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -58.7 | -29.1 | -175.8 | 82.7 | -87.5 | 0 | 0 | 0 | 112.9 | P112 S116 G117 I118 A127 L185 L545 D549 | P112-F114 VanDerWaalsContact C-N 3.29Å; P112-F114 HydrophobicContact CB-CD1 3.84Å; P112-F114 HydrophobicContact CB-CE1 3.9Å; P112-F114 HydrophobicContact CG-CD1 3.77Å; P112-F114 HydrophobicContact CG-CE1 3.34Å; P112-F114 HydrophobicContact CG-CZ 4.34Å; P112-F114 PolarHBondContact O-N 2.88Å; F114-S116 PolarHBondContact O-N 3.38Å; F114-S116 VanDerWaalsContact O-N 3.16Å; F114-G117 PolarHBondContact O-N 2.97Å; F114-I118 HydrophobicContact CD2-CD1 4.33Å; F114-I118 HydrophobicContact CE2-CD1 4.19Å; F114-A127 HydrophobicContact CE2-CB 4.19Å; F114-L185 HydrophobicContact CD1-CB 4.42Å; F114-L185 WeakPolarHBondContact CD1-O 3.47Å; F114-L545 HydrophobicContact CE2-CD2 3.8Å; F114-L545 HydrophobicContact CZ-CD1 4.28Å; F114-L545 HydrophobicContact CZ-CD2 3.66Å; F114-L545 HydrophobicContact CZ-CG 4.43Å; F114-D549 HydrophobicContact CB-CB 4.48Å; F114-D549 WeakPolarHBondContact CB-OD1 3.39Å |
| 115 | L | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -58.2 | -31.8 | 178.2 | -65.8 | 176.6 | 0 | 0 | 0 | 112.6 | P112 R113 G117 I118 R124 A127 E128 | P112-L115 HydrophobicContact CG-CD1 4Å; P112-L115 HydrophobicContact CG-CG 4.13Å; P112-L115 PolarHBondContact O-N 2.91Å; R113-L115 PolarHBondContact O-N 3.43Å; R113-L115 VanDerWaalsContact O-N 3.13Å; L115-G117 PolarHBondContact O-N 2.93Å; L115-I118 HydrophobicContact CD2-CD1 4.27Å; L115-I118 PolarHBondContact O-N 3.39Å; L115-R124 HydrophobicContact CB-CG 4.44Å; L115-R124 WeakPolarHBondContact O-CD 3.43Å; L115-R124 WeakPolarHBondContact O-CG 3.27Å; L115-R124 PolarHBondContact O-NE 3.45Å; L115-A127 HydrophobicContact CD2-CB 3.55Å; L115-E128 HydrophobicContact CD1-CB 4.32Å |
| 116 | S | 97.3 | Very high | 97.2 | Very high | 106 Ų | 106 | 69.8 Ų | 69.8 | 74% | 0.741 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.9 | 178.2 | 69 | 0 | 0 | 0 | 0 | 113.5 | R113 F114 I118 | R113-S116 WeakPolarHBondContact O-CB 3.35Å; R113-S116 PolarHBondContact O-N 2.92Å; R113-S116 PolarHBondContact O-OG 2.87Å; F114-S116 PolarHBondContact O-N 3.38Å; F114-S116 VanDerWaalsContact O-N 3.16Å; S116-I118 VanDerWaalsContact C-N 3.35Å |
| 117 | G | 97.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -79.8 | -13.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F114 L115 G552 A553 | F114-G117 PolarHBondContact O-N 2.97Å; L115-G117 PolarHBondContact O-N 2.93Å; G117-G552 CarbonylContact O-C 3.53Å; G117-G552 VanDerWaalsContact O-C 3.23Å; G117-A553 PolarHBondContact O-N 3.34Å |
| 118 | I | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -83.6 | 118 | 178.3 | -54.8 | 170.6 | 0 | 0 | 0 | 108.3 | F114 L115 S116 L123 R124 A127 L548 G552 | F114-I118 HydrophobicContact CD2-CD1 4.33Å; F114-I118 HydrophobicContact CE2-CD1 4.19Å; L115-I118 HydrophobicContact CD2-CD1 4.27Å; L115-I118 PolarHBondContact O-N 3.39Å; S116-I118 VanDerWaalsContact C-N 3.35Å; I118-L123 HydrophobicContact CG2-CB 3.93Å; I118-R124 HydrophobicContact CB-CB 4.13Å; I118-R124 HydrophobicContact CB-CG 4.31Å; I118-R124 HydrophobicContact CG2-CB 3.99Å; I118-R124 PolarHBondContact O-NE 3.35Å; I118-R124 PolarHBondContact O-NH2 3.24Å; I118-A127 HydrophobicContact CD1-CB 3.43Å; I118-A127 VanDerWaalsContact CD1-CB 3.43Å; I118-L548 HydrophobicContact CD1-CB 3.97Å; I118-L548 HydrophobicContact CD1-CD1 4.47Å; I118-L548 HydrophobicContact CD1-CD2 4.33Å; I118-L548 HydrophobicContact CG1-CB 4.33Å; I118-L548 HydrophobicContact CG2-CD2 4.47Å; I118-G552 CarbonylContact C-O 3.59Å; I118-G552 WeakPolarHBondContact CA-O 3.33Å | ||
| 119 | A | 98.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | trans | -80.4 | -43.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E121 R124 G552 | A119-E121 PolarHBondContact O-N 2.89Å; A119-R124 PolarHBondContact O-NH2 2.99Å; A119-G552 PolarHBondContact N-O 3.29Å | ||
| 120 | D | 98.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 62.9 Ų | 62.9 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -69 | 120.9 | 178.3 | -176 | -59.2 | 0 | 0 | 0 | 110.8 | K122 L123 R124 T556 S557 | D120-K122 VanDerWaalsContact C-N 3.34Å; D120-K122 PolarHBondContact O-N 3.35Å; D120-K122 WeakPolarHBondContact OD1-CB 3.14Å; D120-K122 PolarHBondContact OD1-N 2.68Å; D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 4.1Å; D120-L123 HydrophobicContact CB-CG 4.05Å; D120-L123 PolarHBondContact O-N 2.96Å; D120-L123 PolarHBondContact OD1-N 3.29Å; D120-L123 VanDerWaalsContact OD1-N 3.07Å; D120-R124 WeakPolarHBondContact O-CB 2.92Å; D120-R124 PolarHBondContact O-N 3.01Å; D120-T556 WeakPolarHBondContact OD2-CA 3.47Å; D120-S557 PolarHBondContact OD1-OG 3.06Å; D120-S557 VanDerWaalsContact OD1-OG 3.1Å; D120-S557 PolarHBondContact OD2-N 2.99Å; D120-S557 PolarHBondContact OD2-OG 3.07Å |
| 121 | E | 97.8 | Very high | 97.6 | Very high | 135 Ų | 135 | 57 Ų | 57 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | -175.3 | -174.2 | 178.8 | -176.1 | 0 | 0 | 113.2 | A119 R124 L125 | A119-E121 PolarHBondContact O-N 2.89Å; E121-R124 PolarHBondContact O-N 3.33Å; E121-L125 HydrophobicContact CG-CD1 4.35Å; E121-L125 WeakPolarHBondContact O-CG 3.31Å; E121-L125 PolarHBondContact O-N 3.21Å |
| 122 | K | 97.8 | Very high | 97.6 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 179.6 | -64.3 | -178.3 | -179.7 | 175.7 | 0 | 110.8 | D120 R124 L125 W126 W504 | D120-K122 VanDerWaalsContact C-N 3.34Å; D120-K122 PolarHBondContact O-N 3.35Å; D120-K122 WeakPolarHBondContact OD1-CB 3.14Å; D120-K122 PolarHBondContact OD1-N 2.68Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-L125 PolarHBondContact O-N 3.15Å; K122-W126 WeakPolarHBondContact O-CB 3.38Å; K122-W126 PolarHBondContact O-N 2.76Å; K122-W504 HydrophobicContact CB-CZ2 4.42Å; K122-W504 HydrophobicContact CD-CZ2 4.12Å |
| 123 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 174.5 | -63.9 | -173.6 | 0 | 0 | 0 | 111.5 | I118 D120 W126 A127 I500 W504 L548 L555 | I118-L123 HydrophobicContact CG2-CB 3.93Å; D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 4.1Å; D120-L123 HydrophobicContact CB-CG 4.05Å; D120-L123 PolarHBondContact O-N 2.96Å; D120-L123 PolarHBondContact OD1-N 3.29Å; D120-L123 VanDerWaalsContact OD1-N 3.07Å; L123-W126 HydrophobicContact CD2-CE3 4.28Å; L123-W126 PolarHBondContact O-N 3.11Å; L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 2.89Å; L123-I500 HydrophobicContact CD1-CG2 4.12Å; L123-I500 HydrophobicContact CD2-CG2 4.04Å; L123-W504 HydrophobicContact CD2-CB 4.25Å; L123-W504 HydrophobicContact CD2-CD2 4.39Å; L123-W504 HydrophobicContact CD2-CG 4.04Å; L123-L548 HydrophobicContact CB-CD2 4.08Å; L123-L548 HydrophobicContact CD1-CD2 4.29Å; L123-L555 HydrophobicContact CD1-CB 3.81Å |
| 124 | R | 98.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 176.3 | -168.1 | -174.9 | -52.1 | 113.1 | 0.2 | 112.1 | L115 I118 A119 D120 E121 K122 W126 A127 E128 | L115-R124 HydrophobicContact CB-CG 4.44Å; L115-R124 WeakPolarHBondContact O-CD 3.43Å; L115-R124 WeakPolarHBondContact O-CG 3.27Å; L115-R124 PolarHBondContact O-NE 3.45Å; I118-R124 HydrophobicContact CB-CB 4.13Å; I118-R124 HydrophobicContact CB-CG 4.31Å; I118-R124 HydrophobicContact CG2-CB 3.99Å; I118-R124 PolarHBondContact O-NE 3.35Å; I118-R124 PolarHBondContact O-NH2 3.24Å; A119-R124 PolarHBondContact O-NH2 2.99Å; D120-R124 WeakPolarHBondContact O-CB 2.92Å; D120-R124 PolarHBondContact O-N 3.01Å; E121-R124 PolarHBondContact O-N 3.33Å; K122-R124 VanDerWaalsContact C-N 3.3Å; R124-W126 VanDerWaalsContact C-N 3.33Å; R124-W126 PolarHBondContact O-N 3.41Å; R124-A127 WeakPolarHBondContact O-CB 3.45Å; R124-A127 PolarHBondContact O-N 3.34Å; R124-E128 PolarHBondContact O-N 2.82Å |
| 125 | L | 97.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.8 | -71.4 | 169.5 | 0 | 0 | 0 | 111.6 | E121 K122 E128 Q129 | E121-L125 HydrophobicContact CG-CD1 4.35Å; E121-L125 WeakPolarHBondContact O-CG 3.31Å; E121-L125 PolarHBondContact O-N 3.21Å; K122-L125 PolarHBondContact O-N 3.15Å; L125-E128 WeakPolarHBondContact O-CB 3.31Å; L125-E128 PolarHBondContact O-N 3.07Å; L125-Q129 WeakPolarHBondContact O-CG 3.22Å; L125-Q129 PolarHBondContact O-N 2.8Å; L125-Q129 VanDerWaalsContact O-N 3.12Å |
| 126 | W | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.1 | 176.2 | 57.3 | 0 | 0 | 0 | 112.5 | K122 L123 R124 E128 Q129 I130 I500 N503 W504 Y507 M513 A544 L548 | K122-W126 WeakPolarHBondContact O-CB 3.38Å; K122-W126 PolarHBondContact O-N 2.76Å; L123-W126 HydrophobicContact CD2-CE3 4.28Å; L123-W126 PolarHBondContact O-N 3.11Å; R124-W126 VanDerWaalsContact C-N 3.33Å; R124-W126 PolarHBondContact O-N 3.41Å; W126-E128 VanDerWaalsContact C-N 3.31Å; W126-E128 PolarHBondContact O-N 3.43Å; W126-Q129 WeakPolarHBondContact O-CB 3.27Å; W126-Q129 PolarHBondContact O-N 2.97Å; W126-Q129 VanDerWaalsContact O-N 3.15Å; W126-I130 HydrophobicContact CD2-CD1 3.66Å; W126-I130 HydrophobicContact CD2-CG1 4.48Å; W126-I130 HydrophobicContact CE3-CD1 3.98Å; W126-I130 HydrophobicContact CG-CD1 4.32Å; W126-I130 HydrophobicContact CH2-CD1 3.7Å; W126-I130 HydrophobicContact CZ2-CD1 3.38Å; W126-I130 HydrophobicContact CZ2-CG1 4.37Å; W126-I130 HydrophobicContact CZ3-CD1 3.98Å; W126-I130 WeakPolarHBondContact O-CG1 3.49Å; W126-I130 PolarHBondContact O-N 2.87Å; W126-I500 HydrophobicContact CH2-CD1 4.38Å; W126-I500 HydrophobicContact CZ3-CD1 4.21Å; W126-I500 HydrophobicContact CZ3-CG2 3.98Å; W126-N503 HydrophobicContact CH2-CB 3.67Å; W126-N503 HydrophobicContact CZ2-CB 3.75Å; W126-W504 HydrophobicContact CD2-CB 4.12Å; W126-W504 AromaticContact CD2-CD1 3.86Å; W126-W504 HydrophobicContact CD2-CG 4.4Å; W126-W504 HydrophobicContact CE3-CB 4.1Å; W126-W504 AromaticContact CG-CD1 3.66Å; W126-W504 HydrophobicContact CH2-CB 4.3Å; W126-W504 HydrophobicContact CZ2-CB 4.28Å; W126-W504 HydrophobicContact CZ3-CB 4.21Å; W126-Y507 AromaticContact CD1-CD1 3.35Å; W126-Y507 AromaticContact CD1-CE1 3.82Å; W126-Y507 AromaticContact CD1-CG 3.74Å; W126-Y507 AromaticContact NE1-CD1 3.39Å; W126-Y507 AromaticContact NE1-CD2 3.85Å; W126-Y507 AromaticContact NE1-CG 3.23Å; W126-M513 HydrophobicContact CZ2-CE 3.96Å; W126-M513 HydrophobicContact CZ2-SD 3.83Å; W126-A544 HydrophobicContact CH2-CB 3.96Å; W126-L548 HydrophobicContact CE3-CD1 4.01Å; W126-L548 HydrophobicContact CZ3-CD1 3.79Å; W126-L548 HydrophobicContact CZ3-CG 4.46Å |
| 127 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F114 L115 I118 L123 R124 Q129 I130 H131 L545 L548 | F114-A127 HydrophobicContact CE2-CB 4.19Å; L115-A127 HydrophobicContact CD2-CB 3.55Å; I118-A127 HydrophobicContact CD1-CB 3.43Å; I118-A127 VanDerWaalsContact CD1-CB 3.43Å; L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 2.89Å; R124-A127 WeakPolarHBondContact O-CB 3.45Å; R124-A127 PolarHBondContact O-N 3.34Å; A127-Q129 VanDerWaalsContact C-N 3.34Å; A127-I130 PolarHBondContact O-N 3.26Å; A127-H131 VanDerWaalsContact O-CB 3.31Å; A127-H131 WeakPolarHBondContact O-CB 3.49Å; A127-H131 PolarHBondContact O-N 3.03Å; A127-L545 HydrophobicContact CB-CD2 4.46Å; A127-L548 HydrophobicContact CB-CD1 3.81Å |
| 128 | E | 97.7 | Very high | 96.3 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -41 | 173.1 | -175.5 | 175.5 | -174.7 | 0 | 0 | 111.4 | L115 R124 L125 W126 H131 G132 | L115-E128 HydrophobicContact CD1-CB 4.32Å; R124-E128 PolarHBondContact O-N 2.82Å; L125-E128 WeakPolarHBondContact O-CB 3.31Å; L125-E128 PolarHBondContact O-N 3.07Å; W126-E128 VanDerWaalsContact C-N 3.31Å; W126-E128 PolarHBondContact O-N 3.43Å; E128-H131 PolarHBondContact O-N 3.27Å; E128-G132 PolarHBondContact O-N 3.31Å |
| 129 | Q | 96.7 | Very high | 96 | Very high | 91 Ų | 91 | 47 Ų | 47 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.4 | -67.1 | 171.9 | -36.7 | 0 | 0 | 112 | L125 W126 A127 H131 G132 L133 Y507 | L125-Q129 WeakPolarHBondContact O-CG 3.22Å; L125-Q129 PolarHBondContact O-N 2.8Å; L125-Q129 VanDerWaalsContact O-N 3.12Å; W126-Q129 WeakPolarHBondContact O-CB 3.27Å; W126-Q129 PolarHBondContact O-N 2.97Å; W126-Q129 VanDerWaalsContact O-N 3.15Å; A127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-H131 VanDerWaalsContact C-N 3.35Å; Q129-H131 PolarHBondContact O-N 2.87Å; Q129-G132 WeakPolarHBondContact O-CA 3.33Å; Q129-G132 PolarHBondContact O-N 2.75Å; Q129-G132 VanDerWaalsContact O-N 3.1Å; Q129-L133 PolarHBondContact O-N 3.03Å; Q129-Y507 HydrophobicContact CB-CE1 4.33Å |
| 130 | I | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.2 | -66.9 | 165.4 | 0 | 0 | 0 | 110.8 | W126 A127 G132 L133 M513 N541 A544 L545 | W126-I130 HydrophobicContact CD2-CD1 3.66Å; W126-I130 HydrophobicContact CD2-CG1 4.48Å; W126-I130 HydrophobicContact CE3-CD1 3.98Å; W126-I130 HydrophobicContact CG-CD1 4.32Å; W126-I130 HydrophobicContact CH2-CD1 3.7Å; W126-I130 HydrophobicContact CZ2-CD1 3.38Å; W126-I130 HydrophobicContact CZ2-CG1 4.37Å; W126-I130 HydrophobicContact CZ3-CD1 3.98Å; W126-I130 WeakPolarHBondContact O-CG1 3.49Å; W126-I130 PolarHBondContact O-N 2.87Å; A127-I130 PolarHBondContact O-N 3.26Å; I130-G132 PolarHBondContact O-N 2.99Å; I130-L133 VanDerWaalsContact O-CB 3.24Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.25Å; I130-M513 HydrophobicContact CD1-CE 4.08Å; I130-M513 HydrophobicContact CG1-CE 4.41Å; I130-N541 HydrophobicContact CG2-CB 3.67Å; I130-A544 HydrophobicContact CD1-CB 4.07Å; I130-L545 HydrophobicContact CB-CD2 4.08Å; I130-L545 HydrophobicContact CG2-CD1 4.3Å; I130-L545 HydrophobicContact CG2-CD2 3.82Å; I130-L545 HydrophobicContact CG2-CG 3.92Å |
| 131 | H | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -35.3 | 175.8 | 168.3 | 68.3 | 0 | 0 | 0 | 112.1 | W108 Q109 A127 E128 Q129 L133 W134 S186 | W108-H131 AromaticContact CD1-CE1 3.63Å; W108-H131 AromaticContact CD1-NE2 3.75Å; W108-H131 AromaticContact CD2-NE2 3.97Å; W108-H131 AromaticContact CE2-CD2 3.77Å; W108-H131 AromaticContact CE2-CE1 3.87Å; W108-H131 AromaticContact CE2-NE2 3.18Å; W108-H131 AromaticContact CZ2-CD2 3.63Å; W108-H131 AromaticContact CZ2-NE2 3.42Å; W108-H131 WeakPolarHBondContact CZ2-NE2 3.44Å; W108-H131 AromaticContact NE1-CD2 3.62Å; W108-H131 AromaticContact NE1-CE1 3.28Å; W108-H131 PolarHBondContact NE1-CE1 2.86Å; W108-H131 VanDerWaalsContact NE1-CE1 3.28Å; W108-H131 AromaticContact NE1-ND1 3.91Å; W108-H131 AromaticContact NE1-NE2 3.04Å; W108-H131 PolarHBondContact NE1-NE2 3.23Å; W108-H131 PolarHBondContact NE1-O 3.35Å; W108-H131 VanDerWaalsContact NE1-O 3.07Å; Q109-H131 PolarHBondContact O-NE2 2.9Å; A127-H131 VanDerWaalsContact O-CB 3.31Å; A127-H131 WeakPolarHBondContact O-CB 3.49Å; A127-H131 PolarHBondContact O-N 3.03Å; E128-H131 PolarHBondContact O-N 3.27Å; Q129-H131 VanDerWaalsContact C-N 3.35Å; Q129-H131 PolarHBondContact O-N 2.87Å; H131-L133 PolarHBondContact O-N 3.49Å; H131-W134 AromaticContact ND1-CD1 3.84Å; H131-W134 VanDerWaalsContact O-CD1 3.23Å; H131-W134 PolarHBondContact O-N 3.45Å; H131-S186 VanDerWaalsContact ND1-CB 3.29Å; H131-S186 WeakPolarHBondContact ND1-CB 3.44Å; H131-S186 PolarHBondContact ND1-OG 2.93Å; H131-S186 VanDerWaalsContact ND1-OG 3.07Å |
| 132 | G | 95.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -27.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E128 Q129 I130 W134 K135 | E128-G132 PolarHBondContact O-N 3.31Å; Q129-G132 WeakPolarHBondContact O-CA 3.33Å; Q129-G132 PolarHBondContact O-N 2.75Å; Q129-G132 VanDerWaalsContact O-N 3.1Å; I130-G132 PolarHBondContact O-N 2.99Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 3.2Å; G132-K135 PolarHBondContact O-N 3.12Å |
| 133 | L | 94.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -24.4 | -178.2 | -61.8 | 176.4 | 0 | 0 | 0 | 113.1 | Q129 I130 H131 K135 S136 L137 M513 | Q129-L133 PolarHBondContact O-N 3.03Å; I130-L133 VanDerWaalsContact O-CB 3.24Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.25Å; H131-L133 PolarHBondContact O-N 3.49Å; L133-K135 PolarHBondContact O-N 3.31Å; L133-K135 VanDerWaalsContact O-N 3.16Å; L133-S136 WeakPolarHBondContact O-CB 3.4Å; L133-S136 PolarHBondContact O-N 3.34Å; L133-S136 PolarHBondContact O-OG 2.69Å; L133-L137 PolarHBondContact O-N 2.94Å; L133-M513 HydrophobicContact CD1-CG 4.09Å |
| 134 | W | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.8 | -33.5 | 177.1 | -61.6 | 137.3 | 0 | 0 | 0 | 113.2 | H131 G132 S136 L137 G138 V162 V179 L183 S186 M188 N541 L545 | H131-W134 AromaticContact ND1-CD1 3.84Å; H131-W134 VanDerWaalsContact O-CD1 3.23Å; H131-W134 PolarHBondContact O-N 3.45Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 3.2Å; W134-S136 VanDerWaalsContact C-N 3.26Å; W134-S136 PolarHBondContact O-N 3.09Å; W134-L137 HydrophobicContact CE3-CD1 4.23Å; W134-L137 HydrophobicContact CZ3-CD1 4.26Å; W134-L137 PolarHBondContact O-N 3.32Å; W134-G138 PolarHBondContact O-N 3.31Å; W134-V162 HydrophobicContact CE3-CG1 3.67Å; W134-V162 HydrophobicContact CZ3-CG1 3.86Å; W134-V179 HydrophobicContact CH2-CG1 4.44Å; W134-V179 HydrophobicContact CZ3-CG1 4.07Å; W134-L183 HydrophobicContact CB-CD2 4.37Å; W134-L183 HydrophobicContact CD2-CD2 3.99Å; W134-L183 HydrophobicContact CE3-CD2 4.41Å; W134-L183 HydrophobicContact CG-CD2 3.97Å; W134-S186 PolarHBondContact NE1-OG 2.91Å; W134-M188 HydrophobicContact CB-CE 4.16Å; W134-M188 HydrophobicContact CB-SD 4.01Å; W134-M188 HydrophobicContact CG-SD 4.09Å; W134-N541 HydrophobicContact CH2-CB 3.58Å; W134-N541 HydrophobicContact CZ2-CB 4.04Å; W134-N541 HydrophobicContact CZ3-CB 4.07Å; W134-L545 HydrophobicContact CZ2-CD1 3.9Å |
| 135 | K | 92.7 | Very high | 95.4 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.8 | -30.2 | 175.6 | -66 | -178.9 | -66.8 | -163.4 | 0 | 113 | T104 W108 G132 L133 | T104-K135 HydrophobicContact CG2-CG 4.47Å; W108-K135 HydrophobicContact CD2-CD 3.79Å; W108-K135 HydrophobicContact CD2-CG 4.08Å; W108-K135 HydrophobicContact CE3-CD 4.03Å; W108-K135 HydrophobicContact CG-CD 4.24Å; W108-K135 HydrophobicContact CG-CG 4.02Å; W108-K135 HydrophobicContact CH2-CD 4.43Å; W108-K135 HydrophobicContact CZ2-CD 4.19Å; W108-K135 HydrophobicContact CZ3-CD 4.34Å; G132-K135 PolarHBondContact O-N 3.12Å; L133-K135 PolarHBondContact O-N 3.31Å; L133-K135 VanDerWaalsContact O-N 3.16Å |
| 136 | S | 90.2 | Very high | 95.4 | Very high | 69 Ų | 69 | 40.2 Ų | 40.2 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -86.9 | -25.2 | -177.5 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | L133 W134 R139 | L133-S136 WeakPolarHBondContact O-CB 3.4Å; L133-S136 PolarHBondContact O-N 3.34Å; L133-S136 PolarHBondContact O-OG 2.69Å; W134-S136 VanDerWaalsContact C-N 3.26Å; W134-S136 PolarHBondContact O-N 3.09Å; S136-R139 PolarHBondContact O-NH1 2.54Å |
| 137 | L | 92.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -91.4 | -9.3 | -178.9 | -64.5 | 175.6 | 0 | 0 | 0 | 113 | L133 W134 V162 V163 | L133-L137 PolarHBondContact O-N 2.94Å; W134-L137 HydrophobicContact CE3-CD1 4.23Å; W134-L137 HydrophobicContact CZ3-CD1 4.26Å; W134-L137 PolarHBondContact O-N 3.32Å; L137-V162 HydrophobicContact CB-CG1 3.74Å; L137-V162 HydrophobicContact CD1-CG1 4.5Å; L137-V163 PolarHBondContact O-N 3.29Å; L137-V163 VanDerWaalsContact O-N 3.09Å |
| 138 | G | 92.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W134 V161 | W134-G138 PolarHBondContact O-N 3.31Å; G138-V161 CarbonylContact C-O 3.58Å; G138-V161 WeakPolarHBondContact CA-O 3.37Å |
| 139 | R | 92.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.5 | 172.6 | -61.8 | -65.3 | 177.4 | -84.5 | -3.8 | 109.4 | F100 S136 P160 V161 V163 | F100-R139 HydrophobicContact CD1-CB 3.98Å; F100-R139 HydrophobicContact CE1-CB 4.41Å; F100-R139 HydrophobicContact CG-CB 4.45Å; S136-R139 PolarHBondContact O-NH1 2.54Å; R139-P160 CarbonylContact O-C 3.47Å; R139-P160 WeakPolarHBondContact O-CA 3.21Å; R139-V161 HydrophobicContact CB-CG2 4.07Å; R139-V161 PolarHBondContact N-O 2.54Å; R139-V161 PolarHBondContact O-N 3.25Å; R139-V163 HydrophobicContact CB-CG1 4.11Å; R139-V163 HydrophobicContact CG-CG1 3.63Å; R139-V163 HydrophobicContact CG-CG2 4.1Å |
| 140 | K | 95.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.5 | 169.3 | -179.5 | 174 | 171.7 | -143.8 | 0 | 108.8 | F100 E101 W103 P160 | F100-K140 CarbonylContact C-O 3.47Å; F100-K140 VanDerWaalsContact CA-O 3.31Å; F100-K140 WeakPolarHBondContact CA-O 3.39Å; E101-K140 HydrophobicContact CG-CB 3.91Å; E101-K140 HydrophobicContact CG-CD 4.22Å; E101-K140 HydrophobicContact CG-CG 4.03Å; E101-K140 PolarHBondContact N-O 3Å; E101-K140 PolarHBondContact O-N 3.39Å; E101-K140 WeakPolarHBondContact OE1-CD 3.39Å; E101-K140 WeakPolarHBondContact OE1-CE 3.43Å; E101-K140 IonicContact OE1-NZ 2.69Å; E101-K140 PolarHBondContact OE1-NZ 2.86Å; W103-K140 HydrophobicContact CB-CB 3.59Å; W103-K140 HydrophobicContact CG-CB 4.04Å; K140-P160 HydrophobicContact CB-CB 4.34Å; K140-P160 HydrophobicContact CB-CG 4.38Å; K140-P160 HydrophobicContact CD-CG 4.24Å; K140-P160 HydrophobicContact CG-CG 4.28Å |
| 141 | I | 96.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.6 | 180 | -59.9 | 173.6 | 0 | 0 | 0 | 108.4 | F100 V145 Q154 I155 F156 T157 | F100-I141 HydrophobicContact CD1-CG1 4.07Å; F100-I141 HydrophobicContact CE1-CG1 3.86Å; I141-V145 HydrophobicContact CG2-CB 3.66Å; I141-V145 HydrophobicContact CG2-CG1 4.02Å; I141-V145 HydrophobicContact CG2-CG2 3.57Å; I141-Q154 HydrophobicContact CD1-CG 4.26Å; I141-Q154 HydrophobicContact CG2-CG 4.26Å; I141-I155 WeakPolarHBondContact CD1-O 3.4Å; I141-F156 HydrophobicContact CG2-CD2 3.98Å; I141-T157 WeakPolarHBondContact CD1-OG1 3.18Å |
| 142 | Q | 96.1 | Very high | 95.5 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | trans | -65.5 | 148.2 | 178 | -68.8 | -178.1 | 23.1 | 0 | 0 | 111.4 | T98 E99 F100 E101 S144 V145 | T98-Q142 PolarHBondContact O-NE2 2.89Å; E99-Q142 PolarHBondContact O-N 3.5Å; F100-Q142 PolarHBondContact O-NE2 2.9Å; E101-Q142 HydrophobicContact CB-CG 4.1Å; E101-Q142 HydrophobicContact CG-CG 4.44Å; Q142-S144 PolarHBondContact O-N 3.43Å; Q142-V145 WeakPolarHBondContact O-CB 3.46Å; Q142-V145 PolarHBondContact O-N 2.77Å; Q142-V145 VanDerWaalsContact O-N 3.1Å | ||
| 143 | T | 95.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -25.4 | 177.9 | -48.3 | 0 | 0 | 0 | 0 | 112.5 | V145 K146 D147 | T143-V145 PolarHBondContact O-N 3.1Å; T143-V145 VanDerWaalsContact O-N 3.16Å; T143-K146 WeakPolarHBondContact O-CA 3.33Å; T143-K146 VanDerWaalsContact O-CB 3.23Å; T143-K146 WeakPolarHBondContact O-CB 3.41Å; T143-K146 PolarHBondContact O-N 3.44Å; T143-D147 PolarHBondContact O-N 2.86Å |
| 144 | S | 96.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -27.6 | 174.3 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | Q142 K146 D147 H148 Y152 | Q142-S144 PolarHBondContact O-N 3.43Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-D147 PolarHBondContact O-N 2.79Å; S144-H148 WeakPolarHBondContact O-CA 3.46Å; S144-H148 PolarHBondContact O-N 3Å; S144-Y152 VanDerWaalsContact CB-OH 3.24Å; S144-Y152 WeakPolarHBondContact CB-OH 3.44Å; S144-Y152 WeakPolarHBondContact O-CE2 3.32Å; S144-Y152 PolarHBondContact OG-OH 2.96Å |
| 145 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -30.6 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | E99 I141 Q142 T143 P149 Y152 Q154 F156 | E99-V145 HydrophobicContact CB-CG2 4.04Å; I141-V145 HydrophobicContact CG2-CB 3.66Å; I141-V145 HydrophobicContact CG2-CG1 4.02Å; I141-V145 HydrophobicContact CG2-CG2 3.57Å; Q142-V145 WeakPolarHBondContact O-CB 3.46Å; Q142-V145 PolarHBondContact O-N 2.77Å; Q142-V145 VanDerWaalsContact O-N 3.1Å; T143-V145 PolarHBondContact O-N 3.1Å; T143-V145 VanDerWaalsContact O-N 3.16Å; V145-P149 VanDerWaalsContact O-CA 3.29Å; V145-P149 WeakPolarHBondContact O-CA 3.47Å; V145-P149 WeakPolarHBondContact O-CB 3.24Å; V145-Y152 HydrophobicContact CB-CD2 4.32Å; V145-Y152 HydrophobicContact CB-CG 4.45Å; V145-Y152 HydrophobicContact CG1-CD2 4.31Å; V145-Y152 HydrophobicContact CG1-CG 4.21Å; V145-Y152 HydrophobicContact CG2-CD1 3.84Å; V145-Y152 HydrophobicContact CG2-CD2 4.21Å; V145-Y152 HydrophobicContact CG2-CE1 3.83Å; V145-Y152 HydrophobicContact CG2-CE2 4.25Å; V145-Y152 HydrophobicContact CG2-CG 4.04Å; V145-Q154 HydrophobicContact CG1-CB 4.18Å; V145-Q154 HydrophobicContact CG1-CG 4.13Å; V145-Q154 WeakPolarHBondContact CG1-O 3.35Å; V145-F156 HydrophobicContact CB-CB 4.4Å; V145-F156 HydrophobicContact CB-CD2 4.48Å; V145-F156 HydrophobicContact CG1-CB 4.01Å |
| 146 | K | 97 | Very high | 96.1 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 54% | 0.543 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.5 | -44 | 173.1 | -175 | -172.5 | 172.8 | -174.4 | 0 | 111.5 | T143 S144 F156 | T143-K146 WeakPolarHBondContact O-CA 3.33Å; T143-K146 VanDerWaalsContact O-CB 3.23Å; T143-K146 WeakPolarHBondContact O-CB 3.41Å; T143-K146 PolarHBondContact O-N 3.44Å; S144-K146 VanDerWaalsContact C-N 3.29Å; K146-F156 HydrophobicContact CB-CB 4.37Å; K146-F156 HydrophobicContact CB-CD1 3.89Å; K146-F156 HydrophobicContact CB-CD2 3.66Å; K146-F156 HydrophobicContact CB-CE1 4.06Å; K146-F156 HydrophobicContact CB-CE2 3.84Å; K146-F156 HydrophobicContact CB-CG 3.68Å; K146-F156 HydrophobicContact CB-CZ 4.03Å; K146-F156 HydrophobicContact CD-CD1 4.33Å; K146-F156 HydrophobicContact CD-CE1 3.82Å; K146-F156 HydrophobicContact CD-CZ 3.92Å; K146-F156 HydrophobicContact CG-CD1 3.93Å; K146-F156 HydrophobicContact CG-CE1 3.95Å; K146-F156 HydrophobicContact CG-CG 4.24Å; K146-F156 HydrophobicContact CG-CZ 4.27Å |
| 147 | D | 97.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -79.5 | -30.6 | -171.7 | -61.5 | -23.5 | 0 | 0 | 0 | 112.4 | T143 S144 | T143-D147 PolarHBondContact O-N 2.86Å; S144-D147 PolarHBondContact O-N 2.79Å |
| 148 | H | 97.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 44% | 0.44 | 23% | 0.227 | S | C | . | . | trans | -133.9 | 57.7 | -178.6 | -61.9 | -66.2 | 0 | 0 | 0 | 112 | S144 E150 L151 Y152 | S144-H148 WeakPolarHBondContact O-CA 3.46Å; S144-H148 PolarHBondContact O-N 3Å; H148-E150 WeakPolarHBondContact CA-OE2 3.47Å; H148-E150 IonicContact CG-OE1 3.17Å; H148-E150 IonicContact ND1-OE1 3.13Å; H148-E150 PolarHBondContact ND1-OE1 3.44Å; H148-E150 PolarHBondContact O-N 3.07Å; H148-E150 VanDerWaalsContact O-N 3.11Å; H148-L151 HydrophobicContact CB-CD1 3.73Å; H148-L151 HydrophobicContact CB-CG 4.03Å; H148-L151 PolarHBondContact O-N 3.42Å; H148-L151 VanDerWaalsContact O-N 3.09Å; H148-Y152 HydrophobicContact CB-CE2 4.48Å; H148-Y152 WeakPolarHBondContact O-CD2 3.42Å; H148-Y152 VanDerWaalsContact O-CE2 3.29Å; H148-Y152 WeakPolarHBondContact O-CE2 3.25Å | ||
| 149 | P | 97.2 | Very high | 96.9 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -59.7 | -25.7 | -174.4 | 26.8 | -35.7 | 0 | 0 | 0 | 113.2 | V145 L151 Y152 | V145-P149 VanDerWaalsContact O-CA 3.29Å; V145-P149 WeakPolarHBondContact O-CA 3.47Å; V145-P149 WeakPolarHBondContact O-CB 3.24Å; P149-L151 PolarHBondContact O-N 3.27Å; P149-Y152 PolarHBondContact O-N 3.03Å |
| 150 | E | 97.1 | Very high | 97.1 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -62.8 | -20.6 | 177.7 | 72.9 | -74.4 | 174.9 | 0 | 0 | 113.9 | P61 H148 | P61-E150 HydrophobicContact CG-CB 3.97Å; P61-E150 HydrophobicContact CG-CG 4.19Å; P61-E150 VanDerWaalsContact CG-O 3.28Å; P61-E150 WeakPolarHBondContact CG-O 3.3Å; H148-E150 WeakPolarHBondContact CA-OE2 3.47Å; H148-E150 IonicContact CG-OE1 3.17Å; H148-E150 IonicContact ND1-OE1 3.13Å; H148-E150 PolarHBondContact ND1-OE1 3.44Å; H148-E150 PolarHBondContact O-N 3.07Å; H148-E150 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 98.1 | Very high | 97 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -83.9 | -11.9 | 179.2 | -56.9 | -179.6 | 0 | 0 | 0 | 113 | Y31 L57 S59 H148 P149 | Y31-L151 PolarHBondContact OH-O 3.44Å; L57-L151 HydrophobicContact CB-CB 4.24Å; L57-L151 HydrophobicContact CB-CD2 3.97Å; L57-L151 PolarHBondContact N-O 2.93Å; S59-L151 VanDerWaalsContact C-CD2 3.49Å; S59-L151 VanDerWaalsContact O-CD2 3.24Å; S59-L151 WeakPolarHBondContact O-CD2 3.42Å; H148-L151 HydrophobicContact CB-CD1 3.73Å; H148-L151 HydrophobicContact CB-CG 4.03Å; H148-L151 PolarHBondContact O-N 3.42Å; H148-L151 VanDerWaalsContact O-N 3.09Å; P149-L151 PolarHBondContact O-N 3.27Å |
| 152 | Y | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | trans | -123.4 | 147.8 | -169.4 | -55.3 | -95.9 | 0 | 0 | 0 | 111.1 | K56 E99 S144 V145 H148 P149 Q154 | K56-Y152 HydrophobicContact CB-CD1 4.08Å; K56-Y152 HydrophobicContact CB-CE1 4.2Å; K56-Y152 HydrophobicContact CD-CD1 4.16Å; K56-Y152 HydrophobicContact CD-CE1 3.42Å; K56-Y152 VanDerWaalsContact CD-CE1 3.42Å; K56-Y152 VanDerWaalsContact CE-OH 3.29Å; K56-Y152 WeakPolarHBondContact CE-OH 3.17Å; K56-Y152 HydrophobicContact CG-CD1 3.7Å; K56-Y152 HydrophobicContact CG-CE1 3.46Å; K56-Y152 VanDerWaalsContact CG-CE1 3.46Å; K56-Y152 HydrophobicContact CG-CG 4.45Å; E99-Y152 HydrophobicContact CB-CD1 3.83Å; E99-Y152 HydrophobicContact CB-CE1 4.07Å; S144-Y152 VanDerWaalsContact CB-OH 3.24Å; S144-Y152 WeakPolarHBondContact CB-OH 3.44Å; S144-Y152 WeakPolarHBondContact O-CE2 3.32Å; S144-Y152 PolarHBondContact OG-OH 2.96Å; V145-Y152 HydrophobicContact CB-CD2 4.32Å; V145-Y152 HydrophobicContact CB-CG 4.45Å; V145-Y152 HydrophobicContact CG1-CD2 4.31Å; V145-Y152 HydrophobicContact CG1-CG 4.21Å; V145-Y152 HydrophobicContact CG2-CD1 3.84Å; V145-Y152 HydrophobicContact CG2-CD2 4.21Å; V145-Y152 HydrophobicContact CG2-CE1 3.83Å; V145-Y152 HydrophobicContact CG2-CE2 4.25Å; V145-Y152 HydrophobicContact CG2-CG 4.04Å; H148-Y152 HydrophobicContact CB-CE2 4.48Å; H148-Y152 WeakPolarHBondContact O-CD2 3.42Å; H148-Y152 VanDerWaalsContact O-CE2 3.29Å; H148-Y152 WeakPolarHBondContact O-CE2 3.25Å; P149-Y152 PolarHBondContact O-N 3.03Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å | ||
| 153 | S | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -79.3 | -22 | 157.6 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | V53 I155 R214 V215 | V53-S153 WeakPolarHBondContact O-CB 3.12Å; V53-S153 PolarHBondContact O-OG 3.31Å; S153-I155 PolarHBondContact O-N 3.12Å; S153-R214 CarbonylContact O-C 3.55Å; S153-R214 WeakPolarHBondContact O-CA 3.26Å; S153-R214 WeakPolarHBondContact OG-CD 3.42Å; S153-R214 PolarHBondContact OG-NH1 2.88Å; S153-V215 PolarHBondContact O-N 2.92Å |
| 154 | Q | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 126.8 | 177.3 | -178.7 | 61.2 | 51.2 | 0 | 0 | 111.2 | E99 I141 V145 Y152 G213 | E99-Q154 HydrophobicContact CB-CB 4.17Å; E99-Q154 HydrophobicContact CB-CG 4.37Å; E99-Q154 HydrophobicContact CG-CB 3.95Å; E99-Q154 HydrophobicContact CG-CG 4.05Å; I141-Q154 HydrophobicContact CD1-CG 4.26Å; I141-Q154 HydrophobicContact CG2-CG 4.26Å; V145-Q154 HydrophobicContact CG1-CB 4.18Å; V145-Q154 HydrophobicContact CG1-CG 4.13Å; V145-Q154 WeakPolarHBondContact CG1-O 3.35Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-G213 VanDerWaalsContact CD-O 3.3Å; Q154-G213 PolarHBondContact NE2-O 3.22Å |
| 155 | I | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 126.6 | 170 | -61.7 | 170.5 | 0 | 0 | 0 | 108 | I141 S153 L202 Y206 G213 R214 V215 E218 | I141-I155 WeakPolarHBondContact CD1-O 3.4Å; S153-I155 PolarHBondContact O-N 3.12Å; I155-L202 HydrophobicContact CG2-CD2 3.78Å; I155-Y206 HydrophobicContact CD1-CE2 4.11Å; I155-Y206 HydrophobicContact CG2-CE2 4.18Å; I155-G213 PolarHBondContact N-O 2.75Å; I155-R214 VanDerWaalsContact CD1-C 3.49Å; I155-R214 WeakPolarHBondContact CD1-O 3.44Å; I155-V215 HydrophobicContact CG1-CG1 4.1Å; I155-E218 HydrophobicContact CD1-CG 4.28Å |
| 156 | F | 97.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 36 Ų | 36 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 136.4 | 174.5 | 176.6 | -101.8 | 0 | 0 | 0 | 111.7 | I141 V145 K146 P158 F201 | I141-F156 HydrophobicContact CG2-CD2 3.98Å; V145-F156 HydrophobicContact CB-CB 4.4Å; V145-F156 HydrophobicContact CB-CD2 4.48Å; V145-F156 HydrophobicContact CG1-CB 4.01Å; K146-F156 HydrophobicContact CB-CB 4.37Å; K146-F156 HydrophobicContact CB-CD1 3.89Å; K146-F156 HydrophobicContact CB-CD2 3.66Å; K146-F156 HydrophobicContact CB-CE1 4.06Å; K146-F156 HydrophobicContact CB-CE2 3.84Å; K146-F156 HydrophobicContact CB-CG 3.68Å; K146-F156 HydrophobicContact CB-CZ 4.03Å; K146-F156 HydrophobicContact CD-CD1 4.33Å; K146-F156 HydrophobicContact CD-CE1 3.82Å; K146-F156 HydrophobicContact CD-CZ 3.92Å; K146-F156 HydrophobicContact CG-CD1 3.93Å; K146-F156 HydrophobicContact CG-CE1 3.95Å; K146-F156 HydrophobicContact CG-CG 4.24Å; K146-F156 HydrophobicContact CG-CZ 4.27Å; F156-P158 HydrophobicContact CE1-CB 4.37Å; F156-F201 VanDerWaalsContact O-CE1 3.28Å; F156-F201 WeakPolarHBondContact O-CE1 3.26Å |
| 157 | T | 97.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -131.6 | 143.7 | 165.6 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | I141 H159 L171 N198 L202 | I141-T157 WeakPolarHBondContact CD1-OG1 3.18Å; T157-H159 PolarHBondContact O-N 3.42Å; T157-L171 HydrophobicContact CG2-CD2 3.61Å; T157-N198 VanDerWaalsContact CB-CG 3.49Å; T157-N198 WeakPolarHBondContact CB-OD1 3.47Å; T157-N198 HydrophobicContact CG2-CB 4.16Å; T157-L202 HydrophobicContact CG2-CD1 4.29Å; T157-L202 HydrophobicContact CG2-CD2 4.2Å; T157-L202 HydrophobicContact CG2-CG 4.24Å | ||
| 158 | P | 96.9 | Very high | 93.8 | Very high | 62 Ų | 62 | 27.6 Ų | 27.6 | 40% | 0.403 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -71.8 | -25.8 | -168.4 | 24.9 | -33.4 | 0 | 0 | 0 | 115.5 | F156 N198 F201 | F156-P158 HydrophobicContact CE1-CB 4.37Å; P158-N198 VanDerWaalsContact CD-OD1 3.24Å; P158-N198 WeakPolarHBondContact CD-OD1 3.37Å; P158-F201 HydrophobicContact CG-CB 4.48Å; P158-F201 HydrophobicContact CG-CD2 4.41Å; P158-F201 HydrophobicContact CG-CG 4.33Å |
| 159 | H | 97.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 27.1 Ų | 27.1 | 30% | 0.301 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -108.5 | 156.6 | -178.3 | -57.1 | -82.6 | 0 | 0 | 0 | 111.7 | T157 G194 Q197 N198 | T157-H159 PolarHBondContact O-N 3.42Å; H159-G194 WeakPolarHBondContact CB-O 3.48Å; H159-Q197 VanDerWaalsContact CD2-CB 3.43Å; H159-Q197 WeakPolarHBondContact CD2-CB 3.41Å; H159-Q197 WeakPolarHBondContact NE2-CB 3.24Å; H159-N198 WeakPolarHBondContact CA-OD1 3.17Å; H159-N198 WeakPolarHBondContact CB-OD1 3.48Å; H159-N198 PolarHBondContact N-OD1 3.38Å; H159-N198 PolarHBondContact O-ND2 3.06Å |
| 160 | P | 96.4 | Very high | 93 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 18% | 0.175 | 13% | 0.13 | C | C | . | . | trans | -58.9 | 158.6 | 168.4 | -20.8 | 33.1 | 0 | 0 | 0 | 112.6 | W103 R139 K140 N198 | W103-P160 HydrophobicContact CD2-CB 3.38Å; W103-P160 HydrophobicContact CD2-CG 3.81Å; W103-P160 VanDerWaalsContact CE2-CG 3.44Å; W103-P160 HydrophobicContact CE3-CB 3.52Å; W103-P160 HydrophobicContact CE3-CG 4.43Å; W103-P160 HydrophobicContact CG-CB 4.03Å; W103-P160 HydrophobicContact CG-CG 4.13Å; W103-P160 HydrophobicContact CH2-CB 3.69Å; W103-P160 HydrophobicContact CH2-CG 4.4Å; W103-P160 HydrophobicContact CZ2-CB 3.55Å; W103-P160 HydrophobicContact CZ2-CG 3.77Å; W103-P160 HydrophobicContact CZ3-CB 3.67Å; R139-P160 CarbonylContact O-C 3.47Å; R139-P160 WeakPolarHBondContact O-CA 3.21Å; K140-P160 HydrophobicContact CB-CB 4.34Å; K140-P160 HydrophobicContact CB-CG 4.38Å; K140-P160 HydrophobicContact CD-CG 4.24Å; K140-P160 HydrophobicContact CG-CG 4.28Å; P160-N198 PolarHBondContact O-ND2 2.82Å | ||
| 161 | V | 93.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.2 | -179.5 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | G138 R139 V163 L171 N198 | G138-V161 CarbonylContact C-O 3.58Å; G138-V161 WeakPolarHBondContact CA-O 3.37Å; R139-V161 HydrophobicContact CB-CG2 4.07Å; R139-V161 PolarHBondContact N-O 2.54Å; R139-V161 PolarHBondContact O-N 3.25Å; V161-V163 HydrophobicContact CG2-CG1 3.89Å; V161-L171 HydrophobicContact CB-CB 4.46Å; V161-L171 HydrophobicContact CG1-CB 4.16Å; V161-L171 HydrophobicContact CG1-CD2 4.19Å; V161-N198 WeakPolarHBondContact CG1-ND2 3.4Å |
| 162 | V | 94.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.6 | 164.7 | 174.2 | 0 | 0 | 0 | 0 | 107.1 | W134 L137 V179 L183 T191 M195 | W134-V162 HydrophobicContact CE3-CG1 3.67Å; W134-V162 HydrophobicContact CZ3-CG1 3.86Å; L137-V162 HydrophobicContact CB-CG1 3.74Å; L137-V162 HydrophobicContact CD1-CG1 4.5Å; V162-V179 HydrophobicContact CB-CG1 3.65Å; V162-V179 HydrophobicContact CG1-CG1 3.55Å; V162-L183 HydrophobicContact CG2-CD1 4.12Å; V162-L183 HydrophobicContact CG2-CD2 4.21Å; V162-T191 HydrophobicContact CG2-CG2 4.23Å; V162-M195 HydrophobicContact CB-CE 4.35Å; V162-M195 HydrophobicContact CB-SD 3.9Å; V162-M195 HydrophobicContact CG2-SD 4.19Å |
| 163 | V | 91.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | trans | -90.4 | 163 | -174.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | L137 R139 V161 R169 | L137-V163 PolarHBondContact O-N 3.29Å; L137-V163 VanDerWaalsContact O-N 3.09Å; R139-V163 HydrophobicContact CB-CG1 4.11Å; R139-V163 HydrophobicContact CG-CG1 3.63Å; R139-V163 HydrophobicContact CG-CG2 4.1Å; V161-V163 HydrophobicContact CG2-CG1 3.89Å; V163-R169 WeakPolarHBondContact CG1-O 3.4Å | ||
| 164 | P | 87.1 | Confident | 92.8 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | trans | -60.2 | -49.9 | 176.9 | -21.3 | 32.1 | 0 | 0 | 0 | 112.7 | F168 Y172 D175 F537 G538 | P164-F168 HydrophobicContact CB-CB 4Å; P164-F168 HydrophobicContact CB-CD2 4.37Å; P164-F168 HydrophobicContact CG-CB 3.96Å; P164-Y172 HydrophobicContact CG-CD2 3.77Å; P164-Y172 HydrophobicContact CG-CG 4.31Å; P164-D175 HydrophobicContact CG-CB 4.4Å; P164-F537 HydrophobicContact CB-CD1 4.02Å; P164-F537 HydrophobicContact CB-CD2 4.28Å; P164-F537 HydrophobicContact CB-CE1 3.49Å; P164-F537 VanDerWaalsContact CB-CE1 3.49Å; P164-F537 HydrophobicContact CB-CE2 3.74Å; P164-F537 HydrophobicContact CB-CG 4.44Å; P164-F537 HydrophobicContact CB-CZ 3.34Å; P164-F537 HydrophobicContact CG-CZ 4.4Å; P164-F537 CarbonylContact O-C 3.48Å; P164-F537 VanDerWaalsContact O-CA 3.22Å; P164-F537 WeakPolarHBondContact O-CA 3.29Å; P164-G538 PolarHBondContact O-N 3.11Å | ||
| 165 | G | 83.4 | Confident | 92.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | 132.8 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R167 F168 L535 | G165-R167 PolarHBondContact O-N 3.38Å; G165-F168 PolarHBondContact O-N 3.32Å; G165-L535 CarbonylContact C-O 3.6Å; G165-L535 WeakPolarHBondContact CA-O 3.48Å |
| 166 | G | 83.8 | Confident | 92.8 | Very high | 49 Ų | 49 | 20 Ų | 20 | 51% | 0.505 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -124.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F168 L535 | G166-F168 PolarHBondContact O-N 3.38Å; G166-L535 PolarHBondContact N-O 3.21Å |
| 167 | R | 83.3 | Confident | 92.8 | Very high | 33 Ų | 33 | 18.8 Ų | 18.8 | 13% | 0.125 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.5 | 177.7 | 76 | -174.2 | -72.3 | -110.2 | 8.2 | 113.7 | D48 K50 G165 R169 Q534 | D48-R167 IonicContact OD1-CZ 2.76Å; D48-R167 IonicContact OD1-NE 3.1Å; D48-R167 IonicContact OD1-NH2 2.67Å; D48-R167 PolarHBondContact OD1-NH2 3.25Å; D48-R167 IonicContact OD2-CZ 3.41Å; D48-R167 IonicContact OD2-NE 3.8Å; D48-R167 PolarHBondContact OD2-NE 3.09Å; D48-R167 IonicContact OD2-NH2 3.51Å; D48-R167 PolarHBondContact OD2-NH2 3.12Å; K50-R167 PolarHBondContact NZ-O 2.63Å; G165-R167 PolarHBondContact O-N 3.38Å; R167-R169 PolarHBondContact O-N 2.96Å; R167-Q534 HydrophobicContact CG-CG 4.23Å |
| 168 | F | 85.7 | Confident | 92.9 | Very high | 16 Ų | 16 | 18.7 Ų | 18.7 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -85.1 | 94.8 | 179.2 | -56.1 | -58 | 0 | 0 | 0 | 109.8 | P164 G165 G166 Y172 Y531 Q534 F537 | P164-F168 HydrophobicContact CB-CB 4Å; P164-F168 HydrophobicContact CB-CD2 4.37Å; P164-F168 HydrophobicContact CG-CB 3.96Å; G165-F168 PolarHBondContact O-N 3.32Å; G166-F168 PolarHBondContact O-N 3.38Å; F168-Y172 HydrophobicContact CB-CD2 4.18Å; F168-Y172 HydrophobicContact CB-CE2 3.69Å; F168-Y172 HydrophobicContact CD1-CD2 4.45Å; F168-Y172 HydrophobicContact CD1-CE1 4.5Å; F168-Y172 AromaticContact CD1-CE2 3.5Å; F168-Y172 HydrophobicContact CD1-CE2 3.5Å; F168-Y172 VanDerWaalsContact CD1-CE2 3.5Å; F168-Y172 AromaticContact CD1-CZ 3.53Å; F168-Y172 WeakPolarHBondContact CD1-OH 3.44Å; F168-Y172 HydrophobicContact CE1-CE2 4.44Å; F168-Y172 AromaticContact CG-CE2 3.92Å; F168-Y172 HydrophobicContact CG-CE2 3.92Å; F168-Y531 HydrophobicContact CE2-CE2 4.24Å; F168-Y531 HydrophobicContact CZ-CE1 4.44Å; F168-Y531 AromaticContact CZ-CE2 3.9Å; F168-Y531 HydrophobicContact CZ-CE2 3.9Å; F168-Y531 AromaticContact CZ-CZ 3.73Å; F168-Q534 HydrophobicContact CD2-CB 4.46Å; F168-Q534 HydrophobicContact CD2-CG 4.09Å; F168-Q534 HydrophobicContact CE2-CB 4.3Å; F168-Q534 HydrophobicContact CE2-CG 3.66Å; F168-F537 AromaticContact CD2-CE2 3.67Å; F168-F537 HydrophobicContact CD2-CE2 3.67Å; F168-F537 HydrophobicContact CD2-CZ 4.06Å; F168-F537 AromaticContact CE2-CE2 3.89Å; F168-F537 HydrophobicContact CE2-CE2 3.89Å; F168-F537 HydrophobicContact CE2-CZ 4.23Å |
| 169 | R | 86.1 | Confident | 92.9 | Very high | 85 Ų | 85 | 15.8 Ų | 15.8 | 32% | 0.321 | 9% | 0.085 | S | C | . | . | trans | -103.3 | -7.3 | -172.3 | -60.2 | 176.8 | -178.7 | -163 | 3.4 | 112.7 | P96 F100 V163 R167 | P96-R169 PolarHBondContact O-NH1 3.06Å; F100-R169 WeakPolarHBondContact CE1-O 3.42Å; F100-R169 HydrophobicContact CE2-CB 3.7Å; F100-R169 WeakPolarHBondContact CE2-O 3.43Å; F100-R169 HydrophobicContact CZ-CB 4.19Å; F100-R169 WeakPolarHBondContact CZ-O 3.39Å; V163-R169 WeakPolarHBondContact CG1-O 3.4Å; R167-R169 PolarHBondContact O-N 2.96Å | ||
| 170 | E | 91.9 | Very high | 93 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -105.5 | 167.9 | 178.9 | 50.2 | -74.5 | 125.8 | 0 | 0 | 110.9 | K50 Y172 R214 | K50-E170 WeakPolarHBondContact CE-OE1 3.14Å; K50-E170 VanDerWaalsContact NZ-CD 3.34Å; K50-E170 IonicContact NZ-OE1 2.71Å; K50-E170 PolarHBondContact NZ-OE1 3.16Å; K50-E170 IonicContact NZ-OE2 3.98Å; K50-E170 PolarHBondContact NZ-OE2 3.13Å; K50-E170 VanDerWaalsContact NZ-OE2 3.16Å; E170-Y172 HydrophobicContact CG-CD2 4.32Å; E170-Y172 HydrophobicContact CG-CE2 3.74Å; E170-Y172 VanDerWaalsContact OE1-CE2 3.27Å; E170-Y172 WeakPolarHBondContact OE1-CE2 3.2Å; E170-Y172 PolarHBondContact OE1-OH 3.32Å; E170-R214 HydrophobicContact CB-CG 4.49Å; E170-R214 HydrophobicContact CG-CG 4.01Å; E170-R214 IonicContact OE2-CZ 2.65Å; E170-R214 IonicContact OE2-NE 3.38Å; E170-R214 PolarHBondContact OE2-NE 3.25Å; E170-R214 IonicContact OE2-NH2 3.46Å; E170-R214 PolarHBondContact OE2-NH2 2.7Å |
| 171 | L | 92.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | trans | -62.1 | 138.3 | 164.3 | 66.1 | 96.7 | 0 | 0 | 0 | 109.5 | T157 V161 F199 L202 G212 G213 | T157-L171 HydrophobicContact CG2-CD2 3.61Å; V161-L171 HydrophobicContact CB-CB 4.46Å; V161-L171 HydrophobicContact CG1-CB 4.16Å; V161-L171 HydrophobicContact CG1-CD2 4.19Å; L171-F199 HydrophobicContact CD1-CD1 4.26Å; L171-F199 HydrophobicContact CD1-CE1 3.55Å; L171-F199 HydrophobicContact CD1-CZ 4.28Å; L171-L202 HydrophobicContact CD1-CD1 3.76Å; L171-L202 HydrophobicContact CD2-CD1 4.14Å; L171-G212 CarbonylContact O-C 3.57Å; L171-G212 WeakPolarHBondContact O-CA 3.32Å; L171-G213 PolarHBondContact O-N 3.38Å | ||
| 172 | Y | 97 | Very high | 93.3 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 5% | 0.047 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 140.6 | 167 | -81.8 | -92.9 | 0 | 0 | 0 | 108.8 | P164 F168 E170 D175 S176 N211 Y217 | P164-Y172 HydrophobicContact CG-CD2 3.77Å; P164-Y172 HydrophobicContact CG-CG 4.31Å; F168-Y172 HydrophobicContact CB-CD2 4.18Å; F168-Y172 HydrophobicContact CB-CE2 3.69Å; F168-Y172 HydrophobicContact CD1-CD2 4.45Å; F168-Y172 HydrophobicContact CD1-CE1 4.5Å; F168-Y172 AromaticContact CD1-CE2 3.5Å; F168-Y172 HydrophobicContact CD1-CE2 3.5Å; F168-Y172 VanDerWaalsContact CD1-CE2 3.5Å; F168-Y172 AromaticContact CD1-CZ 3.53Å; F168-Y172 WeakPolarHBondContact CD1-OH 3.44Å; F168-Y172 HydrophobicContact CE1-CE2 4.44Å; F168-Y172 AromaticContact CG-CE2 3.92Å; F168-Y172 HydrophobicContact CG-CE2 3.92Å; E170-Y172 HydrophobicContact CG-CD2 4.32Å; E170-Y172 HydrophobicContact CG-CE2 3.74Å; E170-Y172 VanDerWaalsContact OE1-CE2 3.27Å; E170-Y172 WeakPolarHBondContact OE1-CE2 3.2Å; E170-Y172 PolarHBondContact OE1-OH 3.32Å; Y172-D175 WeakPolarHBondContact CB-OD2 3.39Å; Y172-S176 WeakPolarHBondContact O-CB 3.46Å; Y172-S176 PolarHBondContact O-N 2.96Å; Y172-S176 PolarHBondContact O-OG 3.48Å; Y172-N211 WeakPolarHBondContact CD1-OD1 3.04Å; Y172-N211 WeakPolarHBondContact CE1-OD1 3.28Å; Y172-Y217 HydrophobicContact CE1-CE2 4.28Å; Y172-Y217 PolarHBondContact OH-OH 2.93Å |
| 173 | Y | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -67 | -165.4 | -179.5 | -162 | 0 | 0 | 0 | 112.7 | D175 S176 F199 V209 N211 Q222 P224 F225 L226 M229 E253 | Y173-D175 PolarHBondContact O-N 2.9Å; Y173-S176 WeakPolarHBondContact O-CB 3.43Å; Y173-S176 PolarHBondContact O-N 3.47Å; Y173-F199 HydrophobicContact CD2-CD1 4.18Å; Y173-F199 HydrophobicContact CD2-CE1 4.01Å; Y173-F199 HydrophobicContact CD2-CZ 4.45Å; Y173-V209 HydrophobicContact CD1-CB 3.62Å; Y173-V209 HydrophobicContact CD1-CG1 3.72Å; Y173-V209 HydrophobicContact CD1-CG2 4.47Å; Y173-V209 HydrophobicContact CD2-CB 3.97Å; Y173-V209 HydrophobicContact CD2-CG1 3.57Å; Y173-V209 HydrophobicContact CD2-CG2 4.2Å; Y173-V209 HydrophobicContact CE1-CB 3.62Å; Y173-V209 HydrophobicContact CE1-CG1 4.18Å; Y173-V209 HydrophobicContact CE1-CG2 4.1Å; Y173-V209 HydrophobicContact CE2-CB 4.04Å; Y173-V209 HydrophobicContact CE2-CG1 4.11Å; Y173-V209 HydrophobicContact CE2-CG2 3.88Å; Y173-V209 HydrophobicContact CG-CB 3.8Å; Y173-V209 HydrophobicContact CG-CG1 3.38Å; Y173-N211 PolarHBondContact N-O 3.15Å; Y173-N211 VanDerWaalsContact N-O 3.08Å; Y173-Q222 HydrophobicContact CD1-CB 3.9Å; Y173-Q222 HydrophobicContact CG-CB 4.28Å; Y173-P224 HydrophobicContact CE1-CB 4.4Å; Y173-P224 VanDerWaalsContact OH-CA 3.31Å; Y173-P224 WeakPolarHBondContact OH-CA 3.23Å; Y173-F225 PolarHBondContact OH-N 3.36Å; Y173-L226 HydrophobicContact CE2-CB 3.81Å; Y173-L226 WeakPolarHBondContact OH-CB 3.33Å; Y173-L226 PolarHBondContact OH-N 3.11Å; Y173-M229 HydrophobicContact CD2-CE 3.98Å; Y173-M229 HydrophobicContact CE2-CE 3.99Å; Y173-M229 WeakPolarHBondContact O-CE 3.39Å; Y173-E253 WeakPolarHBondContact CE1-OE1 3.41Å; Y173-E253 PolarHBondContact OH-OE1 3.15Å; Y173-E253 PolarHBondContact OH-OE2 3.43Å |
| 174 | W | 97.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 4% | 0.038 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -33.7 | -171.7 | 75.6 | -34.2 | 0 | 0 | 0 | 112.8 | S176 Y177 W178 Q222 P223 F225 G318 W319 W463 W539 | W174-S176 PolarHBondContact O-N 3.38Å; W174-S176 VanDerWaalsContact O-N 3.15Å; W174-Y177 WeakPolarHBondContact O-CB 3.24Å; W174-Y177 PolarHBondContact O-N 2.9Å; W174-W178 HydrophobicContact CD2-CZ3 4.39Å; W174-W178 HydrophobicContact CE3-CH2 4.19Å; W174-W178 HydrophobicContact CE3-CZ3 4.3Å; W174-W178 WeakPolarHBondContact O-CZ3 3.18Å; W174-Q222 VanDerWaalsContact N-OE1 3.14Å; W174-P223 HydrophobicContact CB-CB 4.17Å; W174-P223 HydrophobicContact CB-CG 4.46Å; W174-P223 HydrophobicContact CD2-CB 4.41Å; W174-P223 HydrophobicContact CD2-CG 3.96Å; W174-P223 HydrophobicContact CE3-CB 3.95Å; W174-P223 HydrophobicContact CE3-CG 3.6Å; W174-P223 HydrophobicContact CG-CG 4.34Å; W174-P223 HydrophobicContact CZ3-CG 4.12Å; W174-F225 HydrophobicContact CB-CD2 3.78Å; W174-F225 HydrophobicContact CB-CE2 4.23Å; W174-F225 HydrophobicContact CE3-CE2 4.19Å; W174-G318 WeakPolarHBondContact CZ2-O 3.41Å; W174-W319 AromaticContact CH2-CD1 3.77Å; W174-W319 AromaticContact CH2-NE1 3.76Å; W174-W463 AromaticContact CH2-CH2 3.44Å; W174-W463 HydrophobicContact CH2-CH2 3.44Å; W174-W463 VanDerWaalsContact CH2-CH2 3.44Å; W174-W463 HydrophobicContact CH2-CZ2 4.02Å; W174-W463 HydrophobicContact CH2-CZ3 4.01Å; W174-W463 AromaticContact CZ2-CH2 3.54Å; W174-W463 HydrophobicContact CZ2-CH2 3.54Å; W174-W463 AromaticContact CZ2-CZ2 3.72Å; W174-W463 HydrophobicContact CZ2-CZ2 3.72Å; W174-W539 AromaticContact CE2-CZ3 3.87Å; W174-W539 HydrophobicContact CZ2-CH2 4.34Å; W174-W539 AromaticContact CZ2-CZ3 3.75Å; W174-W539 HydrophobicContact CZ2-CZ3 3.75Å; W174-W539 AromaticContact NE1-CZ3 3.92Å |
| 175 | D | 96.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.048 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -49.8 | -41.6 | 173 | -62.9 | -110.8 | 0 | 0 | 0 | 111.4 | P164 Y172 Y173 Y177 W178 V179 | P164-D175 HydrophobicContact CG-CB 4.4Å; Y172-D175 WeakPolarHBondContact CB-OD2 3.39Å; Y173-D175 PolarHBondContact O-N 2.9Å; D175-Y177 PolarHBondContact O-N 3.36Å; D175-Y177 VanDerWaalsContact O-N 3.11Å; D175-W178 PolarHBondContact O-N 2.88Å; D175-V179 PolarHBondContact O-N 3.3Å |
| 176 | S | 98.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.7 | -18.2 | -175.1 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | Y172 Y173 W174 V179 I180 F199 | Y172-S176 WeakPolarHBondContact O-CB 3.46Å; Y172-S176 PolarHBondContact O-N 2.96Å; Y172-S176 PolarHBondContact O-OG 3.48Å; Y173-S176 WeakPolarHBondContact O-CB 3.43Å; Y173-S176 PolarHBondContact O-N 3.47Å; W174-S176 PolarHBondContact O-N 3.38Å; W174-S176 VanDerWaalsContact O-N 3.15Å; S176-V179 PolarHBondContact O-N 3.06Å; S176-I180 VanDerWaalsContact O-CB 3.22Å; S176-I180 WeakPolarHBondContact O-CB 3.49Å; S176-I180 WeakPolarHBondContact O-CD1 3.24Å; S176-I180 WeakPolarHBondContact O-CG1 3.14Å; S176-I180 PolarHBondContact O-N 2.88Å; S176-F199 VanDerWaalsContact CB-CE2 3.48Å; S176-F199 VanDerWaalsContact CB-CZ 3.41Å; S176-F199 WeakPolarHBondContact OG-CZ 3.27Å |
| 177 | Y | 98.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 3% | 0.027 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62 | -51.3 | 175.3 | 171.9 | -113.4 | 0 | 0 | 0 | 110.6 | W174 D175 V179 I180 N181 F225 L228 M229 | W174-Y177 WeakPolarHBondContact O-CB 3.24Å; W174-Y177 PolarHBondContact O-N 2.9Å; D175-Y177 PolarHBondContact O-N 3.36Å; D175-Y177 VanDerWaalsContact O-N 3.11Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 3.42Å; Y177-I180 PolarHBondContact O-N 3.5Å; Y177-N181 WeakPolarHBondContact CD2-ND2 3.44Å; Y177-N181 WeakPolarHBondContact CE2-ND2 3.43Å; Y177-N181 PolarHBondContact O-N 2.99Å; Y177-N181 VanDerWaalsContact O-N 3.08Å; Y177-N181 PolarHBondContact O-ND2 3.15Å; Y177-F225 AromaticContact CD1-CD1 3.56Å; Y177-F225 HydrophobicContact CD1-CD1 3.56Å; Y177-F225 AromaticContact CD1-CE1 3.72Å; Y177-F225 HydrophobicContact CD1-CE1 3.72Å; Y177-F225 HydrophobicContact CD2-CD1 4.03Å; Y177-F225 HydrophobicContact CE1-CD1 4.12Å; Y177-F225 HydrophobicContact CE1-CE1 4.06Å; Y177-F225 HydrophobicContact CG-CB 4.36Å; Y177-F225 AromaticContact CG-CD1 3.5Å; Y177-F225 HydrophobicContact CG-CD1 3.5Å; Y177-F225 HydrophobicContact CG-CE1 4.16Å; Y177-F225 HydrophobicContact CG-CG 4.26Å; Y177-L228 HydrophobicContact CD2-CB 3.94Å; Y177-L228 HydrophobicContact CE2-CB 3.57Å; Y177-L228 HydrophobicContact CE2-CD2 4.24Å; Y177-M229 HydrophobicContact CD2-CG 4.07Å |
| 178 | W | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.2 | -34.8 | 179.2 | -64.5 | -82.5 | 0 | 0 | 0 | 111.8 | W174 D175 N181 G182 F225 P471 H474 M475 W539 G542 V543 | W174-W178 HydrophobicContact CD2-CZ3 4.39Å; W174-W178 HydrophobicContact CE3-CH2 4.19Å; W174-W178 HydrophobicContact CE3-CZ3 4.3Å; W174-W178 WeakPolarHBondContact O-CZ3 3.18Å; D175-W178 PolarHBondContact O-N 2.88Å; W178-N181 PolarHBondContact O-N 3.09Å; W178-G182 PolarHBondContact O-N 2.93Å; W178-F225 HydrophobicContact CH2-CE1 4.16Å; W178-F225 HydrophobicContact CH2-CE2 4.31Å; W178-F225 AromaticContact CH2-CZ 3.86Å; W178-F225 HydrophobicContact CH2-CZ 3.86Å; W178-F225 HydrophobicContact CZ2-CE1 4.3Å; W178-F225 HydrophobicContact CZ2-CZ 4.27Å; W178-P471 HydrophobicContact CD2-CB 4.15Å; W178-P471 HydrophobicContact CE3-CB 4.06Å; W178-P471 HydrophobicContact CH2-CB 3.15Å; W178-P471 HydrophobicContact CH2-CG 4.4Å; W178-P471 HydrophobicContact CZ2-CB 3.21Å; W178-P471 HydrophobicContact CZ3-CB 3.58Å; W178-H474 AromaticContact CD1-CG 3.99Å; W178-H474 AromaticContact CD1-ND1 3.95Å; W178-H474 AromaticContact NE1-CG 3.59Å; W178-H474 AromaticContact NE1-ND1 3.35Å; W178-H474 PolarHBondContact NE1-ND1 3.29Å; W178-M475 HydrophobicContact CZ2-CG 4.33Å; W178-M475 HydrophobicContact CZ2-SD 4.31Å; W178-W539 HydrophobicContact CB-CB 3.97Å; W178-W539 HydrophobicContact CD2-CB 4.5Å; W178-W539 HydrophobicContact CE3-CB 4.22Å; W178-W539 HydrophobicContact CE3-CE3 4.4Å; W178-W539 HydrophobicContact CG-CB 4.42Å; W178-W539 HydrophobicContact CZ3-CE3 4.41Å; W178-G542 VanDerWaalsContact O-CA 3.27Å; W178-G542 WeakPolarHBondContact O-CA 3.29Å; W178-V543 HydrophobicContact CB-CG2 4.19Å; W178-V543 HydrophobicContact CG-CG2 3.74Å |
| 179 | V | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.3 | -51.2 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | W134 V162 D175 S176 Y177 N181 G182 L183 M195 G538 | W134-V179 HydrophobicContact CH2-CG1 4.44Å; W134-V179 HydrophobicContact CZ3-CG1 4.07Å; V162-V179 HydrophobicContact CB-CG1 3.65Å; V162-V179 HydrophobicContact CG1-CG1 3.55Å; D175-V179 PolarHBondContact O-N 3.3Å; S176-V179 PolarHBondContact O-N 3.06Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 3.42Å; V179-N181 VanDerWaalsContact C-N 3.33Å; V179-N181 PolarHBondContact O-N 2.84Å; V179-G182 PolarHBondContact O-N 3.41Å; V179-G182 VanDerWaalsContact O-N 3.12Å; V179-L183 HydrophobicContact CG1-CD1 3.81Å; V179-L183 HydrophobicContact CG1-CG 4.22Å; V179-L183 VanDerWaalsContact O-CG 3.25Å; V179-L183 WeakPolarHBondContact O-CG 3.4Å; V179-L183 PolarHBondContact O-N 3.35Å; V179-M195 HydrophobicContact CG1-CE 4.02Å; V179-M195 HydrophobicContact CG1-SD 4.17Å; V179-G538 VanDerWaalsContact CG2-C 3.46Å |
| 180 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 179.2 | -76.3 | 163.2 | 0 | 0 | 0 | 111.3 | S176 Y177 L183 I184 A192 M195 I196 F199 M229 | S176-I180 VanDerWaalsContact O-CB 3.22Å; S176-I180 WeakPolarHBondContact O-CB 3.49Å; S176-I180 WeakPolarHBondContact O-CD1 3.24Å; S176-I180 WeakPolarHBondContact O-CG1 3.14Å; S176-I180 PolarHBondContact O-N 2.88Å; Y177-I180 PolarHBondContact O-N 3.5Å; I180-L183 PolarHBondContact O-N 3.25Å; I180-I184 HydrophobicContact CG2-CD1 3.89Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.31Å; I180-I184 PolarHBondContact O-N 3.1Å; I180-A192 HydrophobicContact CG2-CB 4.26Å; I180-M195 HydrophobicContact CD1-CB 4.25Å; I180-M195 HydrophobicContact CG1-CB 4.24Å; I180-M195 HydrophobicContact CG1-CE 4.49Å; I180-M195 HydrophobicContact CG1-SD 4.47Å; I180-I196 HydrophobicContact CD1-CG1 3.74Å; I180-I196 HydrophobicContact CG2-CD1 4.19Å; I180-F199 HydrophobicContact CD1-CE2 4.26Å; I180-M229 HydrophobicContact CD1-CB 4.02Å; I180-M229 HydrophobicContact CD1-CE 4.48Å; I180-M229 HydrophobicContact CD1-CG 3.72Å; I180-M229 HydrophobicContact CD1-SD 3.58Å; I180-M229 VanDerWaalsContact CD1-SD 3.58Å |
| 181 | N | 98.8 | Very high | 97.9 | Very high | 20 Ų | 20 | 16.3 Ų | 16.3 | 11% | 0.107 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 176.3 | -73.7 | -72.9 | 0 | 0 | 0 | 112.1 | Y177 W178 V179 L183 I184 L185 S232 Q546 | Y177-N181 WeakPolarHBondContact CD2-ND2 3.44Å; Y177-N181 WeakPolarHBondContact CE2-ND2 3.43Å; Y177-N181 PolarHBondContact O-N 2.99Å; Y177-N181 VanDerWaalsContact O-N 3.08Å; Y177-N181 PolarHBondContact O-ND2 3.15Å; W178-N181 PolarHBondContact O-N 3.09Å; V179-N181 VanDerWaalsContact C-N 3.33Å; V179-N181 PolarHBondContact O-N 2.84Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 2.79Å; N181-I184 PolarHBondContact O-N 3.48Å; N181-L185 WeakPolarHBondContact O-CG 3.46Å; N181-L185 PolarHBondContact O-N 2.95Å; N181-S232 VanDerWaalsContact OD1-CB 3.26Å; N181-S232 WeakPolarHBondContact OD1-CB 3.48Å; N181-S232 PolarHBondContact OD1-OG 2.64Å; N181-Q546 VanDerWaalsContact CB-CD 3.43Å; N181-Q546 HydrophobicContact CB-CG 4.08Å; N181-Q546 VanDerWaalsContact CB-OE1 3.22Å |
| 182 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W178 V179 S186 | W178-G182 PolarHBondContact O-N 2.93Å; V179-G182 PolarHBondContact O-N 3.41Å; V179-G182 VanDerWaalsContact O-N 3.12Å; G182-S186 VanDerWaalsContact O-CB 3.27Å; G182-S186 WeakPolarHBondContact O-CB 3.21Å; G182-S186 PolarHBondContact O-N 2.73Å; G182-S186 PolarHBondContact O-OG 2.92Å |
| 183 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 174.8 | -70.2 | 169.9 | 0 | 0 | 0 | 111.7 | W134 V162 V179 I180 N181 L185 S186 E187 M188 T191 A192 M195 | W134-L183 HydrophobicContact CB-CD2 4.37Å; W134-L183 HydrophobicContact CD2-CD2 3.99Å; W134-L183 HydrophobicContact CE3-CD2 4.41Å; W134-L183 HydrophobicContact CG-CD2 3.97Å; V162-L183 HydrophobicContact CG2-CD1 4.12Å; V162-L183 HydrophobicContact CG2-CD2 4.21Å; V179-L183 HydrophobicContact CG1-CD1 3.81Å; V179-L183 HydrophobicContact CG1-CG 4.22Å; V179-L183 VanDerWaalsContact O-CG 3.25Å; V179-L183 WeakPolarHBondContact O-CG 3.4Å; V179-L183 PolarHBondContact O-N 3.35Å; I180-L183 PolarHBondContact O-N 3.25Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 2.79Å; L183-L185 PolarHBondContact O-N 3.35Å; L183-S186 CarbonylContact O-C 3.25Å; L183-S186 WeakPolarHBondContact O-CA 3.29Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 2.64Å; L183-S186 VanDerWaalsContact O-N 3.11Å; L183-E187 PolarHBondContact O-N 3.26Å; L183-M188 HydrophobicContact CB-CB 4.22Å; L183-M188 HydrophobicContact CD2-CB 4.11Å; L183-M188 HydrophobicContact CD2-CE 3.66Å; L183-M188 HydrophobicContact CD2-SD 3.61Å; L183-M188 WeakPolarHBondContact O-CA 3.37Å; L183-M188 WeakPolarHBondContact O-CB 3.46Å; L183-M188 PolarHBondContact O-N 3.04Å; L183-T191 HydrophobicContact CD1-CG2 3.87Å; L183-T191 HydrophobicContact CD2-CG2 4.23Å; L183-A192 HydrophobicContact CB-CB 4.24Å; L183-M195 HydrophobicContact CD1-SD 3.61Å |
| 184 | I | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 14% | 0.138 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.9 | -72.1 | 166.8 | 0 | 0 | 0 | 110.7 | I180 N181 S186 E187 A192 A236 | I180-I184 HydrophobicContact CG2-CD1 3.89Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.31Å; I180-I184 PolarHBondContact O-N 3.1Å; N181-I184 PolarHBondContact O-N 3.48Å; I184-S186 PolarHBondContact O-N 2.87Å; I184-E187 PolarHBondContact O-N 3.25Å; I184-A192 HydrophobicContact CD1-CB 4.45Å; I184-A192 HydrophobicContact CG1-CB 3.85Å; I184-A236 HydrophobicContact CG2-CB 3.55Å |
| 185 | L | 97.9 | Very high | 98.3 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 20% | 0.199 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -35.4 | 174.8 | -71.9 | 174.3 | 0 | 0 | 0 | 112.2 | F114 N181 L183 E187 L545 Q546 D549 | F114-L185 HydrophobicContact CD1-CB 4.42Å; F114-L185 WeakPolarHBondContact CD1-O 3.47Å; N181-L185 WeakPolarHBondContact O-CG 3.46Å; N181-L185 PolarHBondContact O-N 2.95Å; L183-L185 PolarHBondContact O-N 3.35Å; L185-E187 PolarHBondContact O-N 3.35Å; L185-L545 HydrophobicContact CD1-CB 4.48Å; L185-Q546 HydrophobicContact CD1-CB 4.3Å; L185-Q546 HydrophobicContact CD1-CG 3.72Å; L185-D549 HydrophobicContact CD1-CB 3.98Å; L185-D549 HydrophobicContact CD2-CB 4.04Å |
| 186 | S | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 6.2 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 114 | H131 W134 G182 L183 I184 M188 | H131-S186 VanDerWaalsContact ND1-CB 3.29Å; H131-S186 WeakPolarHBondContact ND1-CB 3.44Å; H131-S186 PolarHBondContact ND1-OG 2.93Å; H131-S186 VanDerWaalsContact ND1-OG 3.07Å; W134-S186 PolarHBondContact NE1-OG 2.91Å; G182-S186 VanDerWaalsContact O-CB 3.27Å; G182-S186 WeakPolarHBondContact O-CB 3.21Å; G182-S186 PolarHBondContact O-N 2.73Å; G182-S186 PolarHBondContact O-OG 2.92Å; L183-S186 CarbonylContact O-C 3.25Å; L183-S186 WeakPolarHBondContact O-CA 3.29Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 2.64Å; L183-S186 VanDerWaalsContact O-N 3.11Å; I184-S186 PolarHBondContact O-N 2.87Å; S186-M188 PolarHBondContact O-N 3.03Å |
| 187 | E | 98.1 | Very high | 98.4 | Very high | 43 Ų | 43 | 20.3 Ų | 20.3 | 20% | 0.201 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.1 | -175.2 | -65 | 178.1 | 96.6 | 0 | 0 | 113.8 | Q109 P112 R113 L183 I184 L185 T189 | Q109-E187 PolarHBondContact NE2-OE2 3Å; P112-E187 VanDerWaalsContact CA-OE2 3.23Å; P112-E187 WeakPolarHBondContact CA-OE2 3.39Å; R113-E187 IonicContact CZ-OE1 3.71Å; R113-E187 PolarHBondContact N-OE2 3.38Å; R113-E187 IonicContact NE-OE1 2.75Å; R113-E187 PolarHBondContact NE-OE1 3.13Å; R113-E187 IonicContact NE-OE2 3.73Å; R113-E187 IonicContact NH2-OE1 3.18Å; R113-E187 PolarHBondContact NH2-OE1 3.17Å; L183-E187 PolarHBondContact O-N 3.26Å; I184-E187 PolarHBondContact O-N 3.25Å; L185-E187 PolarHBondContact O-N 3.35Å; E187-T189 VanDerWaalsContact C-N 3.3Å; E187-T189 PolarHBondContact O-N 3.33Å |
| 188 | M | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -95 | 54.6 | 177.2 | -58.3 | 173.4 | 66.1 | 0 | 0 | 111 | P105 D107 W108 W134 L183 S186 E190 T191 A192 | P105-M188 HydrophobicContact CB-CE 3.26Å; P105-M188 HydrophobicContact CG-CE 3.51Å; D107-M188 WeakPolarHBondContact OD2-CA 3.27Å; W108-M188 HydrophobicContact CB-CE 4.09Å; W108-M188 HydrophobicContact CB-SD 4.3Å; W108-M188 HydrophobicContact CG-SD 4.34Å; W134-M188 HydrophobicContact CB-CE 4.16Å; W134-M188 HydrophobicContact CB-SD 4.01Å; W134-M188 HydrophobicContact CG-SD 4.09Å; L183-M188 HydrophobicContact CB-CB 4.22Å; L183-M188 HydrophobicContact CD2-CB 4.11Å; L183-M188 HydrophobicContact CD2-CE 3.66Å; L183-M188 HydrophobicContact CD2-SD 3.61Å; L183-M188 WeakPolarHBondContact O-CA 3.37Å; L183-M188 WeakPolarHBondContact O-CB 3.46Å; L183-M188 PolarHBondContact O-N 3.04Å; S186-M188 PolarHBondContact O-N 3.03Å; M188-E190 PolarHBondContact O-N 2.91Å; M188-T191 HydrophobicContact CE-CG2 4.47Å; M188-T191 PolarHBondContact O-N 3.02Å; M188-A192 PolarHBondContact O-N 3.46Å | ||
| 189 | T | 97.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 20.1 Ų | 20.1 | 23% | 0.227 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.7 | -30.7 | -172.3 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | D107 E187 Y193 Y233 T237 | D107-T189 PolarHBondContact OD2-N 3.07Å; E187-T189 VanDerWaalsContact C-N 3.3Å; E187-T189 PolarHBondContact O-N 3.33Å; T189-Y193 WeakPolarHBondContact O-CB 3.31Å; T189-Y193 PolarHBondContact O-N 2.94Å; T189-Y233 HydrophobicContact CG2-CD2 4.12Å; T189-Y233 HydrophobicContact CG2-CE2 3.55Å; T189-T237 HydrophobicContact CG2-CG2 3.43Å; T189-T237 VanDerWaalsContact CG2-CG2 3.43Å |
| 190 | E | 97.9 | Very high | 98.5 | Very high | 124 Ų | 124 | 20.2 Ų | 20.2 | 58% | 0.579 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -72.5 | -39.3 | 177.2 | -64.6 | -60.5 | 138 | 0 | 0 | 111 | D107 M188 Y193 G194 | D107-E190 HydrophobicContact CB-CB 4.32Å; D107-E190 WeakPolarHBondContact OD2-CA 3.39Å; D107-E190 WeakPolarHBondContact OD2-CB 3.35Å; D107-E190 PolarHBondContact OD2-N 2.91Å; M188-E190 PolarHBondContact O-N 2.91Å; E190-Y193 WeakPolarHBondContact O-CB 3.47Å; E190-Y193 PolarHBondContact O-N 3.36Å; E190-G194 PolarHBondContact O-N 2.72Å |
| 191 | T | 98.2 | Very high | 98.5 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 172.8 | -66.5 | 0 | 0 | 0 | 0 | 111 | W103 D107 V162 L183 M188 Y193 G194 M195 | W103-T191 HydrophobicContact CH2-CG2 3.66Å; W103-T191 HydrophobicContact CZ3-CG2 4.47Å; D107-T191 PolarHBondContact OD1-OG1 3.39Å; D107-T191 PolarHBondContact OD2-N 3.09Å; D107-T191 PolarHBondContact OD2-OG1 3.46Å; V162-T191 HydrophobicContact CG2-CG2 4.23Å; L183-T191 HydrophobicContact CD1-CG2 3.87Å; L183-T191 HydrophobicContact CD2-CG2 4.23Å; M188-T191 HydrophobicContact CE-CG2 4.47Å; M188-T191 PolarHBondContact O-N 3.02Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; T191-Y193 PolarHBondContact O-N 2.98Å; T191-G194 PolarHBondContact O-N 2.84Å; T191-M195 PolarHBondContact O-N 3.15Å |
| 192 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I180 L183 I184 M188 G194 M195 I196 | I180-A192 HydrophobicContact CG2-CB 4.26Å; L183-A192 HydrophobicContact CB-CB 4.24Å; I184-A192 HydrophobicContact CD1-CB 4.45Å; I184-A192 HydrophobicContact CG1-CB 3.85Å; M188-A192 PolarHBondContact O-N 3.46Å; A192-G194 PolarHBondContact O-N 2.67Å; A192-M195 PolarHBondContact O-N 3.24Å; A192-I196 WeakPolarHBondContact O-CG1 3.44Å; A192-I196 PolarHBondContact O-N 2.84Å; A192-I196 VanDerWaalsContact O-N 3.08Å |
| 193 | Y | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 22.2 Ų | 22.2 | 28% | 0.275 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.8 | -49.7 | 174.3 | 175.9 | -106.7 | 0 | 0 | 0 | 111.8 | T189 E190 T191 M195 I196 Q197 Y233 F242 | T189-Y193 WeakPolarHBondContact O-CB 3.31Å; T189-Y193 PolarHBondContact O-N 2.94Å; E190-Y193 WeakPolarHBondContact O-CB 3.47Å; E190-Y193 PolarHBondContact O-N 3.36Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; T191-Y193 PolarHBondContact O-N 2.98Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 2.93Å; Y193-I196 PolarHBondContact O-N 3.44Å; Y193-I196 VanDerWaalsContact O-N 3.15Å; Y193-Q197 HydrophobicContact CD1-CG 4.14Å; Y193-Q197 HydrophobicContact CD2-CG 4.38Å; Y193-Q197 HydrophobicContact CE1-CG 3.72Å; Y193-Q197 HydrophobicContact CE2-CG 4.02Å; Y193-Q197 VanDerWaalsContact CE2-NE2 3.27Å; Y193-Q197 HydrophobicContact CG-CG 4.44Å; Y193-Q197 WeakPolarHBondContact O-CG 3.22Å; Y193-Q197 PolarHBondContact O-N 3.09Å; Y193-Q197 PolarHBondContact OH-NE2 2.85Å; Y193-Y233 AromaticContact CD2-CE1 3.77Å; Y193-Y233 HydrophobicContact CD2-CE1 3.77Å; Y193-Y233 HydrophobicContact CD2-CE2 4.04Å; Y193-Y233 AromaticContact CD2-CZ 3.45Å; Y193-Y233 VanDerWaalsContact CD2-CZ 3.45Å; Y193-Y233 VanDerWaalsContact CD2-OH 3.31Å; Y193-Y233 WeakPolarHBondContact CD2-OH 3.17Å; Y193-Y233 HydrophobicContact CE2-CE1 4.41Å; Y193-Y233 HydrophobicContact CG-CE2 4.26Å; Y193-F242 HydrophobicContact CD2-CD2 4.08Å; Y193-F242 HydrophobicContact CD2-CE2 4.42Å; Y193-F242 HydrophobicContact CE2-CB 4.47Å; Y193-F242 AromaticContact CE2-CD2 3.59Å; Y193-F242 HydrophobicContact CE2-CD2 3.59Å; Y193-F242 HydrophobicContact CE2-CE2 4.22Å; Y193-F242 HydrophobicContact CE2-CG 4.28Å |
| 194 | G | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | H159 E190 T191 A192 I196 Q197 N198 | H159-G194 WeakPolarHBondContact CB-O 3.48Å; E190-G194 PolarHBondContact O-N 2.72Å; T191-G194 PolarHBondContact O-N 2.84Å; A192-G194 PolarHBondContact O-N 2.67Å; G194-I196 PolarHBondContact O-N 3.13Å; G194-Q197 PolarHBondContact O-N 2.74Å; G194-N198 PolarHBondContact O-N 3.21Å |
| 195 | M | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.8 | -72.8 | -175 | 68 | 0 | 0 | 112.1 | V162 V179 I180 L183 T191 A192 Y193 N198 F199 | V162-M195 HydrophobicContact CB-CE 4.35Å; V162-M195 HydrophobicContact CB-SD 3.9Å; V162-M195 HydrophobicContact CG2-SD 4.19Å; V179-M195 HydrophobicContact CG1-CE 4.02Å; V179-M195 HydrophobicContact CG1-SD 4.17Å; I180-M195 HydrophobicContact CD1-CB 4.25Å; I180-M195 HydrophobicContact CG1-CB 4.24Å; I180-M195 HydrophobicContact CG1-CE 4.49Å; I180-M195 HydrophobicContact CG1-SD 4.47Å; L183-M195 HydrophobicContact CD1-SD 3.61Å; T191-M195 PolarHBondContact O-N 3.15Å; A192-M195 PolarHBondContact O-N 3.24Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 2.93Å; M195-N198 WeakPolarHBondContact O-CB 3.19Å; M195-N198 PolarHBondContact O-N 3.17Å; M195-F199 WeakPolarHBondContact O-CD2 3.44Å; M195-F199 PolarHBondContact O-N 2.78Å |
| 196 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.5 | -62.1 | 164.8 | 0 | 0 | 0 | 111.1 | I180 A192 Y193 G194 N198 F199 L200 L226 M229 Y233 F242 | I180-I196 HydrophobicContact CD1-CG1 3.74Å; I180-I196 HydrophobicContact CG2-CD1 4.19Å; A192-I196 WeakPolarHBondContact O-CG1 3.44Å; A192-I196 PolarHBondContact O-N 2.84Å; A192-I196 VanDerWaalsContact O-N 3.08Å; Y193-I196 PolarHBondContact O-N 3.44Å; Y193-I196 VanDerWaalsContact O-N 3.15Å; G194-I196 PolarHBondContact O-N 3.13Å; I196-N198 VanDerWaalsContact C-N 3.28Å; I196-N198 PolarHBondContact O-N 3.03Å; I196-F199 PolarHBondContact O-N 3.49Å; I196-F199 VanDerWaalsContact O-N 3.13Å; I196-L200 HydrophobicContact CG2-CD1 4.23Å; I196-L200 HydrophobicContact CG2-CG 4.39Å; I196-L200 WeakPolarHBondContact O-CG 3.36Å; I196-L200 PolarHBondContact O-N 2.8Å; I196-L226 HydrophobicContact CG2-CD1 4.17Å; I196-M229 HydrophobicContact CD1-CB 4.28Å; I196-M229 WeakPolarHBondContact CD1-O 3.25Å; I196-M229 HydrophobicContact CG1-CB 4.07Å; I196-Y233 HydrophobicContact CD1-CD2 4.42Å; I196-Y233 HydrophobicContact CD1-CG 4.05Å; I196-F242 HydrophobicContact CG2-CE2 3.98Å; I196-F242 HydrophobicContact CG2-CZ 3.69Å |
| 197 | Q | 98.8 | Very high | 98.4 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 20% | 0.201 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -36.9 | 174.5 | -69.4 | -58.3 | -44.4 | 0 | 0 | 112.3 | H159 Y193 G194 F199 L200 F201 | H159-Q197 VanDerWaalsContact CD2-CB 3.43Å; H159-Q197 WeakPolarHBondContact CD2-CB 3.41Å; H159-Q197 WeakPolarHBondContact NE2-CB 3.24Å; Y193-Q197 HydrophobicContact CD1-CG 4.14Å; Y193-Q197 HydrophobicContact CD2-CG 4.38Å; Y193-Q197 HydrophobicContact CE1-CG 3.72Å; Y193-Q197 HydrophobicContact CE2-CG 4.02Å; Y193-Q197 VanDerWaalsContact CE2-NE2 3.27Å; Y193-Q197 HydrophobicContact CG-CG 4.44Å; Y193-Q197 WeakPolarHBondContact O-CG 3.22Å; Y193-Q197 PolarHBondContact O-N 3.09Å; Y193-Q197 PolarHBondContact OH-NE2 2.85Å; G194-Q197 PolarHBondContact O-N 2.74Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.39Å; Q197-L200 PolarHBondContact O-N 3.49Å; Q197-F201 WeakPolarHBondContact O-CB 3.11Å; Q197-F201 PolarHBondContact O-N 2.86Å |
| 198 | N | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.6 | -70.8 | -24.7 | 0 | 0 | 0 | 112.2 | T157 P158 H159 P160 V161 G194 M195 I196 F201 L202 | T157-N198 VanDerWaalsContact CB-CG 3.49Å; T157-N198 WeakPolarHBondContact CB-OD1 3.47Å; T157-N198 HydrophobicContact CG2-CB 4.16Å; P158-N198 VanDerWaalsContact CD-OD1 3.24Å; P158-N198 WeakPolarHBondContact CD-OD1 3.37Å; H159-N198 WeakPolarHBondContact CA-OD1 3.17Å; H159-N198 WeakPolarHBondContact CB-OD1 3.48Å; H159-N198 PolarHBondContact N-OD1 3.38Å; H159-N198 PolarHBondContact O-ND2 3.06Å; P160-N198 PolarHBondContact O-ND2 2.82Å; V161-N198 WeakPolarHBondContact CG1-ND2 3.4Å; G194-N198 PolarHBondContact O-N 3.21Å; M195-N198 WeakPolarHBondContact O-CB 3.19Å; M195-N198 PolarHBondContact O-N 3.17Å; I196-N198 VanDerWaalsContact C-N 3.28Å; I196-N198 PolarHBondContact O-N 3.03Å; N198-F201 WeakPolarHBondContact O-CB 3.29Å; N198-F201 PolarHBondContact O-N 3.17Å; N198-L202 VanDerWaalsContact O-CG 3.31Å; N198-L202 WeakPolarHBondContact O-CG 3.47Å; N198-L202 PolarHBondContact O-N 2.78Å |
| 199 | F | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 176.4 | -68.9 | -56.5 | 0 | 0 | 0 | 112.6 | L171 Y173 S176 I180 M195 I196 Q197 F201 L202 V203 V209 L226 M229 | L171-F199 HydrophobicContact CD1-CD1 4.26Å; L171-F199 HydrophobicContact CD1-CE1 3.55Å; L171-F199 HydrophobicContact CD1-CZ 4.28Å; Y173-F199 HydrophobicContact CD2-CD1 4.18Å; Y173-F199 HydrophobicContact CD2-CE1 4.01Å; Y173-F199 HydrophobicContact CD2-CZ 4.45Å; S176-F199 VanDerWaalsContact CB-CE2 3.48Å; S176-F199 VanDerWaalsContact CB-CZ 3.41Å; S176-F199 WeakPolarHBondContact OG-CZ 3.27Å; I180-F199 HydrophobicContact CD1-CE2 4.26Å; M195-F199 WeakPolarHBondContact O-CD2 3.44Å; M195-F199 PolarHBondContact O-N 2.78Å; I196-F199 PolarHBondContact O-N 3.49Å; I196-F199 VanDerWaalsContact O-N 3.13Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.39Å; F199-F201 VanDerWaalsContact C-N 3.31Å; F199-F201 PolarHBondContact O-N 3.23Å; F199-L202 HydrophobicContact CD1-CD1 4.34Å; F199-L202 PolarHBondContact O-N 2.97Å; F199-L202 VanDerWaalsContact O-N 3.15Å; F199-V203 WeakPolarHBondContact O-CG2 3.38Å; F199-V203 PolarHBondContact O-N 2.84Å; F199-V209 HydrophobicContact CB-CG2 4.15Å; F199-V209 HydrophobicContact CD1-CB 4.47Å; F199-V209 HydrophobicContact CD1-CG1 3.43Å; F199-V209 VanDerWaalsContact CD1-CG1 3.43Å; F199-V209 HydrophobicContact CD1-CG2 4.16Å; F199-V209 HydrophobicContact CE1-CG1 3.81Å; F199-V209 HydrophobicContact CG-CG1 4.5Å; F199-L226 HydrophobicContact CB-CD1 3.45Å; F199-L226 VanDerWaalsContact CB-CD1 3.45Å; F199-L226 HydrophobicContact CB-CD2 4.05Å; F199-L226 HydrophobicContact CB-CG 4.35Å; F199-L226 HydrophobicContact CD2-CD1 4.26Å; F199-L226 HydrophobicContact CG-CD1 4.16Å; F199-M229 HydrophobicContact CD2-CE 4.47Å; F199-M229 HydrophobicContact CD2-SD 3.75Å; F199-M229 HydrophobicContact CE2-CE 4.09Å; F199-M229 HydrophobicContact CE2-SD 3.84Å |
| 200 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 174.2 | -64.6 | 171.9 | 0 | 0 | 0 | 111.1 | I196 Q197 L202 V203 E204 L226 F242 A246 I249 L250 | I196-L200 HydrophobicContact CG2-CD1 4.23Å; I196-L200 HydrophobicContact CG2-CG 4.39Å; I196-L200 WeakPolarHBondContact O-CG 3.36Å; I196-L200 PolarHBondContact O-N 2.8Å; Q197-L200 PolarHBondContact O-N 3.49Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.14Å; L200-V203 PolarHBondContact O-N 2.86Å; L200-E204 WeakPolarHBondContact O-CG 3.46Å; L200-E204 PolarHBondContact O-N 3.34Å; L200-L226 HydrophobicContact CD2-CD2 4.04Å; L200-F242 HydrophobicContact CD1-CE2 3.99Å; L200-A246 HydrophobicContact CD1-CB 3.78Å; L200-A246 HydrophobicContact CD2-CB 4.04Å; L200-I249 HydrophobicContact CB-CD1 4.03Å; L200-I249 HydrophobicContact CB-CG2 4.16Å; L200-I249 HydrophobicContact CD2-CB 3.86Å; L200-I249 HydrophobicContact CD2-CD1 4.31Å; L200-I249 HydrophobicContact CD2-CG2 3.71Å; L200-L250 HydrophobicContact CD2-CD2 4.08Å |
| 201 | F | 98.7 | Very high | 98.5 | Very high | 61 Ų | 61 | 26.1 Ų | 26.1 | 27% | 0.268 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -57.9 | -41 | 173.9 | 171.6 | -92.1 | 0 | 0 | 0 | 112.6 | F156 P158 Q197 N198 F199 E204 R205 | F156-F201 VanDerWaalsContact O-CE1 3.28Å; F156-F201 WeakPolarHBondContact O-CE1 3.26Å; P158-F201 HydrophobicContact CG-CB 4.48Å; P158-F201 HydrophobicContact CG-CD2 4.41Å; P158-F201 HydrophobicContact CG-CG 4.33Å; Q197-F201 WeakPolarHBondContact O-CB 3.11Å; Q197-F201 PolarHBondContact O-N 2.86Å; N198-F201 WeakPolarHBondContact O-CB 3.29Å; N198-F201 PolarHBondContact O-N 3.17Å; F199-F201 VanDerWaalsContact C-N 3.31Å; F199-F201 PolarHBondContact O-N 3.23Å; F201-E204 PolarHBondContact O-N 2.94Å; F201-R205 WeakPolarHBondContact O-CB 3.43Å; F201-R205 PolarHBondContact O-N 2.83Å; F201-R205 VanDerWaalsContact O-N 3.11Å |
| 202 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.7 | -69.6 | 170.1 | 0 | 0 | 0 | 111.9 | I155 T157 L171 N198 F199 L200 R205 Y206 V209 | I155-L202 HydrophobicContact CG2-CD2 3.78Å; T157-L202 HydrophobicContact CG2-CD1 4.29Å; T157-L202 HydrophobicContact CG2-CD2 4.2Å; T157-L202 HydrophobicContact CG2-CG 4.24Å; L171-L202 HydrophobicContact CD1-CD1 3.76Å; L171-L202 HydrophobicContact CD2-CD1 4.14Å; N198-L202 VanDerWaalsContact O-CG 3.31Å; N198-L202 WeakPolarHBondContact O-CG 3.47Å; N198-L202 PolarHBondContact O-N 2.78Å; F199-L202 HydrophobicContact CD1-CD1 4.34Å; F199-L202 PolarHBondContact O-N 2.97Å; F199-L202 VanDerWaalsContact O-N 3.15Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.14Å; L202-R205 PolarHBondContact O-N 2.85Å; L202-Y206 HydrophobicContact CD2-CD2 4.19Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 WeakPolarHBondContact O-CB 3.4Å; L202-Y206 WeakPolarHBondContact O-CD2 3.19Å; L202-Y206 PolarHBondContact O-N 2.86Å; L202-V209 HydrophobicContact CD1-CG1 4.48Å |
| 203 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | F199 L200 R205 G207 V209 L226 I249 T252 E253 | F199-V203 WeakPolarHBondContact O-CG2 3.38Å; F199-V203 PolarHBondContact O-N 2.84Å; L200-V203 PolarHBondContact O-N 2.86Å; V203-R205 VanDerWaalsContact C-N 3.25Å; V203-R205 PolarHBondContact O-N 2.85Å; V203-G207 WeakPolarHBondContact O-CA 3.11Å; V203-G207 PolarHBondContact O-N 3.15Å; V203-V209 HydrophobicContact CG2-CG2 3.49Å; V203-V209 VanDerWaalsContact CG2-CG2 3.49Å; V203-L226 HydrophobicContact CG2-CD2 3.84Å; V203-I249 HydrophobicContact CB-CG2 3.56Å; V203-I249 HydrophobicContact CG1-CG2 3.53Å; V203-I249 WeakPolarHBondContact CG1-O 3.44Å; V203-I249 HydrophobicContact CG2-CG2 4.42Å; V203-T252 HydrophobicContact CG1-CG2 4.04Å; V203-E253 HydrophobicContact CG1-CB 3.98Å; V203-E253 HydrophobicContact CG2-CB 4.08Å |
| 204 | E | 98.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 22.4 Ų | 22.4 | 63% | 0.626 | 10% | 0.104 | S | C | * | . | H | α-helix | trans | -61.9 | -35.9 | 175.1 | -72 | -177.7 | 135.9 | 0 | 0 | 112.2 | L200 F201 I249 | L200-E204 WeakPolarHBondContact O-CG 3.46Å; L200-E204 PolarHBondContact O-N 3.34Å; F201-E204 PolarHBondContact O-N 2.94Å; E204-I249 HydrophobicContact CG-CD1 3.86Å; E204-I249 HydrophobicContact CG-CG1 4.06Å; E204-I249 HydrophobicContact CG-CG2 4.23Å; E204-I249 WeakPolarHBondContact OE1-CD1 3.22Å |
| 205 | R | 97.4 | Very high | 98.3 | Very high | 124 Ų | 124 | 23.2 Ų | 23.2 | 47% | 0.468 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -78.9 | -42.5 | -179.2 | -178 | 171.6 | 173.2 | 168.1 | -1.8 | 113.5 | F201 L202 V203 | F201-R205 WeakPolarHBondContact O-CB 3.43Å; F201-R205 PolarHBondContact O-N 2.83Å; F201-R205 VanDerWaalsContact O-N 3.11Å; L202-R205 PolarHBondContact O-N 2.85Å; V203-R205 VanDerWaalsContact C-N 3.25Å; V203-R205 PolarHBondContact O-N 2.85Å |
| 206 | Y | 97.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 23.1 Ų | 23.1 | 18% | 0.184 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -113.4 | -10.8 | -169 | -64.9 | -73.4 | 0 | 0 | 0 | 113.9 | I155 L202 F208 P210 E218 | I155-Y206 HydrophobicContact CD1-CE2 4.11Å; I155-Y206 HydrophobicContact CG2-CE2 4.18Å; L202-Y206 HydrophobicContact CD2-CD2 4.19Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 WeakPolarHBondContact O-CB 3.4Å; L202-Y206 WeakPolarHBondContact O-CD2 3.19Å; L202-Y206 PolarHBondContact O-N 2.86Å; Y206-F208 WeakPolarHBondContact O-CD1 3.27Å; Y206-F208 WeakPolarHBondContact O-CE1 3.27Å; Y206-F208 PolarHBondContact O-N 3.01Å; Y206-P210 HydrophobicContact CD2-CG 3.85Å; Y206-P210 HydrophobicContact CE2-CG 4.28Å; Y206-P210 HydrophobicContact CG-CG 4.22Å; Y206-E218 HydrophobicContact CD1-CG 4.38Å; Y206-E218 HydrophobicContact CE1-CB 4.43Å; Y206-E218 HydrophobicContact CE1-CG 3.62Å; Y206-E218 WeakPolarHBondContact CE1-OE1 3.45Å; Y206-E218 PolarHBondContact OH-OE1 3Å |
| 207 | G | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 24% | 0.237 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 82.4 | -7.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V203 F256 | V203-G207 WeakPolarHBondContact O-CA 3.11Å; V203-G207 PolarHBondContact O-N 3.15Å; G207-F256 WeakPolarHBondContact O-CB 3.42Å |
| 208 | F | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -157.3 | 169.4 | 178.9 | 64.8 | -82.5 | 0 | 0 | 0 | 109.6 | Y206 P210 E218 E253 F256 | Y206-F208 WeakPolarHBondContact O-CD1 3.27Å; Y206-F208 WeakPolarHBondContact O-CE1 3.27Å; Y206-F208 PolarHBondContact O-N 3.01Å; F208-P210 HydrophobicContact CE2-CB 4.49Å; F208-P210 HydrophobicContact CE2-CG 4.45Å; F208-P210 WeakPolarHBondContact O-CD 3.45Å; F208-E218 WeakPolarHBondContact CZ-O 3.11Å; F208-E253 HydrophobicContact CB-CG 4.46Å; F208-F256 HydrophobicContact CB-CB 4.15Å; F208-F256 HydrophobicContact CB-CD1 3.47Å; F208-F256 VanDerWaalsContact CB-CD1 3.47Å; F208-F256 HydrophobicContact CB-CD2 4.03Å; F208-F256 HydrophobicContact CB-CE1 3.75Å; F208-F256 HydrophobicContact CB-CE2 4.27Å; F208-F256 HydrophobicContact CB-CG 3.61Å; F208-F256 HydrophobicContact CB-CZ 4.12Å; F208-F256 HydrophobicContact CD1-CD1 4.45Å; F208-F256 AromaticContact CD1-CD2 3.62Å; F208-F256 HydrophobicContact CD1-CD2 3.62Å; F208-F256 HydrophobicContact CD1-CE1 4.3Å; F208-F256 AromaticContact CD1-CE2 3.42Å; F208-F256 HydrophobicContact CD1-CE2 3.42Å; F208-F256 VanDerWaalsContact CD1-CE2 3.42Å; F208-F256 HydrophobicContact CD1-CG 4.12Å; F208-F256 AromaticContact CD1-CZ 3.79Å; F208-F256 HydrophobicContact CD1-CZ 3.79Å; F208-F256 HydrophobicContact CD2-CE1 4.17Å; F208-F256 HydrophobicContact CD2-CE2 4.49Å; F208-F256 HydrophobicContact CD2-CZ 4.02Å; F208-F256 HydrophobicContact CE1-CD2 4.38Å; F208-F256 AromaticContact CE1-CE2 3.82Å; F208-F256 HydrophobicContact CE1-CE2 3.82Å; F208-F256 HydrophobicContact CE1-CZ 4.19Å; F208-F256 HydrophobicContact CE2-CZ 4.41Å; F208-F256 HydrophobicContact CG-CD1 4.01Å; F208-F256 HydrophobicContact CG-CD2 4.02Å; F208-F256 AromaticContact CG-CE1 3.83Å; F208-F256 HydrophobicContact CG-CE1 3.83Å; F208-F256 AromaticContact CG-CE2 3.82Å; F208-F256 HydrophobicContact CG-CE2 3.82Å; F208-F256 HydrophobicContact CG-CG 4.09Å; F208-F256 AromaticContact CG-CZ 3.71Å; F208-F256 HydrophobicContact CG-CZ 3.71Å; F208-F256 HydrophobicContact CZ-CZ 4.48Å |
| 209 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -85 | 117.8 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Y173 F199 L202 V203 S221 L226 | Y173-V209 HydrophobicContact CD1-CB 3.62Å; Y173-V209 HydrophobicContact CD1-CG1 3.72Å; Y173-V209 HydrophobicContact CD1-CG2 4.47Å; Y173-V209 HydrophobicContact CD2-CB 3.97Å; Y173-V209 HydrophobicContact CD2-CG1 3.57Å; Y173-V209 HydrophobicContact CD2-CG2 4.2Å; Y173-V209 HydrophobicContact CE1-CB 3.62Å; Y173-V209 HydrophobicContact CE1-CG1 4.18Å; Y173-V209 HydrophobicContact CE1-CG2 4.1Å; Y173-V209 HydrophobicContact CE2-CB 4.04Å; Y173-V209 HydrophobicContact CE2-CG1 4.11Å; Y173-V209 HydrophobicContact CE2-CG2 3.88Å; Y173-V209 HydrophobicContact CG-CB 3.8Å; Y173-V209 HydrophobicContact CG-CG1 3.38Å; F199-V209 HydrophobicContact CB-CG2 4.15Å; F199-V209 HydrophobicContact CD1-CB 4.47Å; F199-V209 HydrophobicContact CD1-CG1 3.43Å; F199-V209 VanDerWaalsContact CD1-CG1 3.43Å; F199-V209 HydrophobicContact CD1-CG2 4.16Å; F199-V209 HydrophobicContact CE1-CG1 3.81Å; F199-V209 HydrophobicContact CG-CG1 4.5Å; L202-V209 HydrophobicContact CD1-CG1 4.48Å; V203-V209 HydrophobicContact CG2-CG2 3.49Å; V203-V209 VanDerWaalsContact CG2-CG2 3.49Å; V209-S221 WeakPolarHBondContact O-CA 3.42Å; V209-S221 WeakPolarHBondContact O-CB 3.4Å; V209-S221 PolarHBondContact O-OG 3.07Å; V209-L226 HydrophobicContact CG2-CD2 3.99Å | ||
| 210 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -59.7 | 155.7 | 172.4 | -21.9 | 34.1 | 0 | 0 | 0 | 112.1 | Y206 F208 G212 R220 | Y206-P210 HydrophobicContact CD2-CG 3.85Å; Y206-P210 HydrophobicContact CE2-CG 4.28Å; Y206-P210 HydrophobicContact CG-CG 4.22Å; F208-P210 HydrophobicContact CE2-CB 4.49Å; F208-P210 HydrophobicContact CE2-CG 4.45Å; F208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-G212 PolarHBondContact O-N 3.43Å; P210-G212 VanDerWaalsContact O-N 3.17Å; P210-R220 CarbonylContact C-O 3.59Å; P210-R220 WeakPolarHBondContact CA-O 3.43Å | ||
| 211 | N | 97.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.032 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -45.6 | -49.6 | 178.5 | -178.2 | -51.6 | 0 | 0 | 0 | 112.2 | Y172 Y173 Y217 R220 S221 Q222 A315 | Y172-N211 WeakPolarHBondContact CD1-OD1 3.04Å; Y172-N211 WeakPolarHBondContact CE1-OD1 3.28Å; Y173-N211 PolarHBondContact N-O 3.15Å; Y173-N211 VanDerWaalsContact N-O 3.08Å; N211-Y217 HydrophobicContact CB-CD1 3.77Å; N211-Y217 HydrophobicContact CB-CE1 4.37Å; N211-Y217 HydrophobicContact CB-CG 3.91Å; N211-R220 HydrophobicContact CB-CG 4.05Å; N211-R220 PolarHBondContact N-O 2.88Å; N211-S221 WeakPolarHBondContact CA-O 3.25Å; N211-S221 VanDerWaalsContact CB-O 3.26Å; N211-S221 WeakPolarHBondContact CB-O 3.32Å; N211-Q222 HydrophobicContact CB-CG 4.3Å; N211-Q222 PolarHBondContact O-OE1 3.07Å; N211-Q222 PolarHBondContact OD1-NE2 3.43Å; N211-A315 PolarHBondContact ND2-O 3.11Å; N211-A315 VanDerWaalsContact ND2-O 3.08Å |
| 212 | G | 96.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -147.5 | 179.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L171 P210 R214 Y217 | L171-G212 CarbonylContact O-C 3.57Å; L171-G212 WeakPolarHBondContact O-CA 3.32Å; P210-G212 PolarHBondContact O-N 3.43Å; P210-G212 VanDerWaalsContact O-N 3.17Å; G212-R214 PolarHBondContact O-N 3.34Å; G212-Y217 WeakPolarHBondContact O-CD2 3.18Å |
| 213 | G | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -73.6 | 40.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q154 I155 L171 | Q154-G213 VanDerWaalsContact CD-O 3.3Å; Q154-G213 PolarHBondContact NE2-O 3.22Å; I155-G213 PolarHBondContact N-O 2.75Å; L171-G213 PolarHBondContact O-N 3.38Å |
| 214 | R | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 146.1 | -178.8 | -64.1 | -86.4 | -178.1 | -172.7 | -2.3 | 111.8 | D54 E99 S153 I155 E170 G212 Y216 Y217 | D54-R214 IonicContact OD1-CZ 2.67Å; D54-R214 IonicContact OD1-NE 3.21Å; D54-R214 PolarHBondContact OD1-NE 3.45Å; D54-R214 IonicContact OD1-NH1 3.48Å; D54-R214 IonicContact OD1-NH2 3.23Å; D54-R214 IonicContact OD2-CZ 3.26Å; D54-R214 IonicContact OD2-NH2 2.8Å; E99-R214 IonicContact OE1-CZ 3.29Å; E99-R214 IonicContact OE1-NH1 3.07Å; E99-R214 PolarHBondContact OE1-NH1 3.22Å; E99-R214 IonicContact OE1-NH2 3.08Å; E99-R214 PolarHBondContact OE1-NH2 2.8Å; S153-R214 CarbonylContact O-C 3.55Å; S153-R214 WeakPolarHBondContact O-CA 3.26Å; S153-R214 WeakPolarHBondContact OG-CD 3.42Å; S153-R214 PolarHBondContact OG-NH1 2.88Å; I155-R214 VanDerWaalsContact CD1-C 3.49Å; I155-R214 WeakPolarHBondContact CD1-O 3.44Å; E170-R214 HydrophobicContact CB-CG 4.49Å; E170-R214 HydrophobicContact CG-CG 4.01Å; E170-R214 IonicContact OE2-CZ 2.65Å; E170-R214 IonicContact OE2-NE 3.38Å; E170-R214 PolarHBondContact OE2-NE 3.25Å; E170-R214 IonicContact OE2-NH2 3.46Å; E170-R214 PolarHBondContact OE2-NH2 2.7Å; G212-R214 PolarHBondContact O-N 3.34Å; R214-Y216 HydrophobicContact CB-CD1 3.97Å; R214-Y216 HydrophobicContact CB-CD2 4.01Å; R214-Y216 HydrophobicContact CB-CE1 3.6Å; R214-Y216 HydrophobicContact CB-CE2 3.64Å; R214-Y216 HydrophobicContact CB-CG 4.17Å; R214-Y216 VanDerWaalsContact CB-CZ 3.43Å; R214-Y216 HydrophobicContact CG-CE1 3.89Å; R214-Y216 HydrophobicContact CG-CE2 4.05Å; R214-Y216 WeakPolarHBondContact CG-OH 3.39Å; R214-Y216 PolarHBondContact O-N 3.04Å; R214-Y217 HydrophobicContact CB-CD2 3.69Å; R214-Y217 HydrophobicContact CB-CE2 4.04Å; R214-Y217 HydrophobicContact CG-CD2 4.33Å; R214-Y217 HydrophobicContact CG-CE2 4.26Å; R214-Y217 WeakPolarHBondContact O-CB 3.15Å; R214-Y217 PolarHBondContact O-N 3.19Å |
| 215 | V | 97.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 17.9 Ų | 17.9 | 13% | 0.133 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -59.4 | -33.2 | -178 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | C26 Y31 S153 I155 Y217 E218 | C26-V215 HydrophobicContact CB-CB 4.41Å; C26-V215 WeakPolarHBondContact CB-O 3.37Å; Y31-V215 HydrophobicContact CD2-CG2 4.5Å; S153-V215 PolarHBondContact O-N 2.92Å; I155-V215 HydrophobicContact CG1-CG1 4.1Å; V215-Y217 PolarHBondContact O-N 3.31Å; V215-Y217 VanDerWaalsContact O-N 3.08Å; V215-E218 VanDerWaalsContact O-CB 3.29Å; V215-E218 WeakPolarHBondContact O-CB 3.4Å; V215-E218 WeakPolarHBondContact O-CG 3.43Å; V215-E218 PolarHBondContact O-N 3.1Å |
| 216 | Y | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -69.4 | -3.2 | 176 | 51.8 | -106.2 | 0 | 0 | 0 | 114.3 | C32 K50 V53 D54 R214 R220 E287 | C32-Y216 VanDerWaalsContact SG-CA 3.59Å; K50-Y216 WeakPolarHBondContact CE-OH 3.22Å; V53-Y216 HydrophobicContact CB-CD1 4.05Å; V53-Y216 HydrophobicContact CB-CE1 3.83Å; V53-Y216 HydrophobicContact CG2-CD1 4.16Å; V53-Y216 HydrophobicContact CG2-CE1 3.63Å; D54-Y216 PolarHBondContact OD1-OH 2.8Å; R214-Y216 HydrophobicContact CB-CD1 3.97Å; R214-Y216 HydrophobicContact CB-CD2 4.01Å; R214-Y216 HydrophobicContact CB-CE1 3.6Å; R214-Y216 HydrophobicContact CB-CE2 3.64Å; R214-Y216 HydrophobicContact CB-CG 4.17Å; R214-Y216 VanDerWaalsContact CB-CZ 3.43Å; R214-Y216 HydrophobicContact CG-CE1 3.89Å; R214-Y216 HydrophobicContact CG-CE2 4.05Å; R214-Y216 WeakPolarHBondContact CG-OH 3.39Å; R214-Y216 PolarHBondContact O-N 3.04Å; Y216-R220 PolarHBondContact O-NH1 3.23Å; Y216-E287 HydrophobicContact CD2-CB 4.43Å; Y216-E287 HydrophobicContact CE2-CB 4.01Å; Y216-E287 HydrophobicContact CE2-CG 4.41Å |
| 217 | Y | 97.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 9.9 Ų | 9.9 | 4% | 0.039 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -98.1 | -2.4 | 170.6 | -63.4 | -48.9 | 0 | 0 | 0 | 114 | Y172 N211 G212 R214 V215 R219 R220 | Y172-Y217 HydrophobicContact CE1-CE2 4.28Å; Y172-Y217 PolarHBondContact OH-OH 2.93Å; N211-Y217 HydrophobicContact CB-CD1 3.77Å; N211-Y217 HydrophobicContact CB-CE1 4.37Å; N211-Y217 HydrophobicContact CB-CG 3.91Å; G212-Y217 WeakPolarHBondContact O-CD2 3.18Å; R214-Y217 HydrophobicContact CB-CD2 3.69Å; R214-Y217 HydrophobicContact CB-CE2 4.04Å; R214-Y217 HydrophobicContact CG-CD2 4.33Å; R214-Y217 HydrophobicContact CG-CE2 4.26Å; R214-Y217 WeakPolarHBondContact O-CB 3.15Å; R214-Y217 PolarHBondContact O-N 3.19Å; V215-Y217 PolarHBondContact O-N 3.31Å; V215-Y217 VanDerWaalsContact O-N 3.08Å; Y217-R219 PolarHBondContact O-N 3.35Å; Y217-R220 PolarHBondContact O-N 2.96Å |
| 218 | E | 95.9 | Very high | 97.9 | Very high | 37 Ų | 37 | 8.8 Ų | 8.8 | 17% | 0.173 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.1 | -172.9 | -76.2 | -178.8 | 166.4 | 0 | 0 | 116.3 | I155 Y206 F208 V215 | I155-E218 HydrophobicContact CD1-CG 4.28Å; Y206-E218 HydrophobicContact CD1-CG 4.38Å; Y206-E218 HydrophobicContact CE1-CB 4.43Å; Y206-E218 HydrophobicContact CE1-CG 3.62Å; Y206-E218 WeakPolarHBondContact CE1-OE1 3.45Å; Y206-E218 PolarHBondContact OH-OE1 3Å; F208-E218 WeakPolarHBondContact CZ-O 3.11Å; V215-E218 VanDerWaalsContact O-CB 3.29Å; V215-E218 WeakPolarHBondContact O-CB 3.4Å; V215-E218 WeakPolarHBondContact O-CG 3.43Å; V215-E218 PolarHBondContact O-N 3.1Å |
| 219 | R | 95.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 8 Ų | 8 | 25% | 0.253 | 4% | 0.037 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -9 | 178.4 | -60.3 | -64.6 | -175 | -167 | -1.2 | 114.3 | P24 P25 Y27 Y217 R261 V279 A281 | P24-R219 PolarHBondContact O-NE 3.3Å; P25-R219 WeakPolarHBondContact O-CG 3.31Å; Y27-R219 PolarHBondContact OH-NH2 2.98Å; Y217-R219 PolarHBondContact O-N 3.35Å; R219-R261 PolarHBondContact O-NH2 3.47Å; R219-V279 HydrophobicContact CB-CG1 4.21Å; R219-A281 HydrophobicContact CB-CB 4.48Å |
| 220 | R | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -134.1 | 140.9 | -176.7 | 66.6 | -178.9 | 172.2 | -69 | 11 | 111.8 | P210 N211 Y216 Y217 V279 E287 K312 E316 | P210-R220 CarbonylContact C-O 3.59Å; P210-R220 WeakPolarHBondContact CA-O 3.43Å; N211-R220 HydrophobicContact CB-CG 4.05Å; N211-R220 PolarHBondContact N-O 2.88Å; Y216-R220 PolarHBondContact O-NH1 3.23Å; Y217-R220 PolarHBondContact O-N 2.96Å; R220-V279 HydrophobicContact CB-CB 4.49Å; R220-V279 HydrophobicContact CB-CG1 4.08Å; R220-V279 HydrophobicContact CB-CG2 3.56Å; R220-E287 IonicContact CZ-OE1 3.37Å; R220-E287 IonicContact NH2-OE1 3.81Å; R220-E287 PolarHBondContact NH2-OE1 2.79Å; R220-E287 IonicContact NH2-OE2 3.63Å; R220-E287 PolarHBondContact NH2-OE2 3.44Å; R220-K312 WeakPolarHBondContact CD-O 3.43Å; R220-E316 WeakPolarHBondContact CA-OE1 3.36Å; R220-E316 HydrophobicContact CB-CB 4.14Å; R220-E316 HydrophobicContact CB-CG 4.27Å | ||
| 221 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | trans | -92 | -152.8 | 174.8 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | V209 N211 E316 | V209-S221 WeakPolarHBondContact O-CA 3.42Å; V209-S221 WeakPolarHBondContact O-CB 3.4Å; V209-S221 PolarHBondContact O-OG 3.07Å; N211-S221 WeakPolarHBondContact CA-O 3.25Å; N211-S221 VanDerWaalsContact CB-O 3.26Å; N211-S221 WeakPolarHBondContact CB-O 3.32Å; S221-E316 PolarHBondContact N-OE1 3.46Å | ||
| 222 | Q | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.037 | 6% | 0.057 | C | C | . | . | trans | -146.5 | 174.9 | 167.3 | -108.8 | -176.4 | -6.7 | 0 | 0 | 107.4 | Y173 W174 N211 W257 E316 | Y173-Q222 HydrophobicContact CD1-CB 3.9Å; Y173-Q222 HydrophobicContact CG-CB 4.28Å; W174-Q222 VanDerWaalsContact N-OE1 3.14Å; N211-Q222 HydrophobicContact CB-CG 4.3Å; N211-Q222 PolarHBondContact O-OE1 3.07Å; N211-Q222 PolarHBondContact OD1-NE2 3.43Å; Q222-W257 VanDerWaalsContact O-CZ2 3.28Å; Q222-W257 WeakPolarHBondContact O-CZ2 3.32Å; Q222-E316 VanDerWaalsContact CA-O 3.26Å; Q222-E316 WeakPolarHBondContact CA-O 3.28Å | ||
| 223 | P | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 12.4 Ų | 12.4 | 6% | 0.058 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -48.8 | 129 | 178.1 | -32.2 | 39.7 | 0 | 0 | 0 | 112.7 | W174 F225 F277 S317 L353 | W174-P223 HydrophobicContact CB-CB 4.17Å; W174-P223 HydrophobicContact CB-CG 4.46Å; W174-P223 HydrophobicContact CD2-CB 4.41Å; W174-P223 HydrophobicContact CD2-CG 3.96Å; W174-P223 HydrophobicContact CE3-CB 3.95Å; W174-P223 HydrophobicContact CE3-CG 3.6Å; W174-P223 HydrophobicContact CG-CG 4.34Å; W174-P223 HydrophobicContact CZ3-CG 4.12Å; P223-F225 HydrophobicContact CB-CD2 3.94Å; P223-F225 HydrophobicContact CB-CE2 3.78Å; P223-F225 WeakPolarHBondContact O-CD2 3.38Å; P223-F225 PolarHBondContact O-N 2.77Å; P223-F277 HydrophobicContact CG-CZ 4.34Å; P223-S317 VanDerWaalsContact CG-O 3.24Å; P223-S317 WeakPolarHBondContact CG-O 3.39Å; P223-L353 HydrophobicContact CB-CD2 3.8Å |
| 224 | P | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -79 | 83.9 | -166.9 | 28.2 | -36.2 | 0 | 0 | 0 | 114.7 | Y173 W257 L350 L353 L354 N357 | Y173-P224 HydrophobicContact CE1-CB 4.4Å; Y173-P224 VanDerWaalsContact OH-CA 3.31Å; Y173-P224 WeakPolarHBondContact OH-CA 3.23Å; P224-W257 HydrophobicContact CB-CZ2 4.19Å; P224-W257 HydrophobicContact CG-CD2 4.21Å; P224-W257 HydrophobicContact CG-CZ2 4.04Å; P224-L350 HydrophobicContact CG-CD1 4.35Å; P224-L353 HydrophobicContact CG-CD2 4.04Å; P224-L353 HydrophobicContact CG-CG 4.26Å; P224-L354 HydrophobicContact CG-CD2 3.88Å; P224-L354 HydrophobicContact CG-CG 4.41Å; P224-N357 PolarHBondContact O-ND2 3.04Å | ||
| 225 | F | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | trans | -91.9 | -2.4 | -179 | -83.1 | -98.6 | 0 | 0 | 0 | 115 | Y173 W174 Y177 W178 P223 L228 M229 L353 W423 M475 | Y173-F225 PolarHBondContact OH-N 3.36Å; W174-F225 HydrophobicContact CB-CD2 3.78Å; W174-F225 HydrophobicContact CB-CE2 4.23Å; W174-F225 HydrophobicContact CE3-CE2 4.19Å; Y177-F225 AromaticContact CD1-CD1 3.56Å; Y177-F225 HydrophobicContact CD1-CD1 3.56Å; Y177-F225 AromaticContact CD1-CE1 3.72Å; Y177-F225 HydrophobicContact CD1-CE1 3.72Å; Y177-F225 HydrophobicContact CD2-CD1 4.03Å; Y177-F225 HydrophobicContact CE1-CD1 4.12Å; Y177-F225 HydrophobicContact CE1-CE1 4.06Å; Y177-F225 HydrophobicContact CG-CB 4.36Å; Y177-F225 AromaticContact CG-CD1 3.5Å; Y177-F225 HydrophobicContact CG-CD1 3.5Å; Y177-F225 HydrophobicContact CG-CE1 4.16Å; Y177-F225 HydrophobicContact CG-CG 4.26Å; W178-F225 HydrophobicContact CH2-CE1 4.16Å; W178-F225 HydrophobicContact CH2-CE2 4.31Å; W178-F225 AromaticContact CH2-CZ 3.86Å; W178-F225 HydrophobicContact CH2-CZ 3.86Å; W178-F225 HydrophobicContact CZ2-CE1 4.3Å; W178-F225 HydrophobicContact CZ2-CZ 4.27Å; P223-F225 HydrophobicContact CB-CD2 3.94Å; P223-F225 HydrophobicContact CB-CE2 3.78Å; P223-F225 WeakPolarHBondContact O-CD2 3.38Å; P223-F225 PolarHBondContact O-N 2.77Å; F225-L228 HydrophobicContact CD1-CB 4.46Å; F225-L228 HydrophobicContact CD1-CD2 3.86Å; F225-L228 HydrophobicContact CE1-CD2 4.06Å; F225-L228 WeakPolarHBondContact O-CA 3.39Å; F225-L228 WeakPolarHBondContact O-CB 3.47Å; F225-L228 PolarHBondContact O-N 2.97Å; F225-M229 HydrophobicContact CB-CE 3.99Å; F225-M229 WeakPolarHBondContact O-CG 3.39Å; F225-M229 PolarHBondContact O-N 3.42Å; F225-L353 HydrophobicContact CD1-CD1 4.38Å; F225-L353 HydrophobicContact CD2-CD1 4.38Å; F225-L353 HydrophobicContact CD2-CD2 3.63Å; F225-L353 HydrophobicContact CE1-CD1 4.28Å; F225-L353 HydrophobicContact CE2-CD1 4.26Å; F225-L353 HydrophobicContact CE2-CD2 3.47Å; F225-L353 VanDerWaalsContact CE2-CD2 3.47Å; F225-L353 HydrophobicContact CG-CD1 4.43Å; F225-L353 HydrophobicContact CG-CD2 4.4Å; F225-L353 HydrophobicContact CZ-CD1 4.21Å; F225-L353 HydrophobicContact CZ-CD2 4.14Å; F225-W423 HydrophobicContact CD1-CH2 4.41Å; F225-W423 AromaticContact CE1-CH2 3.48Å; F225-W423 HydrophobicContact CE1-CH2 3.48Å; F225-W423 VanDerWaalsContact CE1-CH2 3.48Å; F225-W423 AromaticContact CE1-CZ2 3.82Å; F225-W423 HydrophobicContact CE1-CZ2 3.82Å; F225-W423 AromaticContact CZ-CH2 3.85Å; F225-W423 HydrophobicContact CZ-CH2 3.85Å; F225-W423 HydrophobicContact CZ-CZ2 4.43Å; F225-M475 HydrophobicContact CZ-SD 4.44Å | ||
| 226 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | -174.9 | -172.7 | 57.2 | 0 | 0 | 0 | 114.1 | Y173 I196 F199 L200 V203 V209 L228 M229 A230 L250 E253 | Y173-L226 HydrophobicContact CE2-CB 3.81Å; Y173-L226 WeakPolarHBondContact OH-CB 3.33Å; Y173-L226 PolarHBondContact OH-N 3.11Å; I196-L226 HydrophobicContact CG2-CD1 4.17Å; F199-L226 HydrophobicContact CB-CD1 3.45Å; F199-L226 VanDerWaalsContact CB-CD1 3.45Å; F199-L226 HydrophobicContact CB-CD2 4.05Å; F199-L226 HydrophobicContact CB-CG 4.35Å; F199-L226 HydrophobicContact CD2-CD1 4.26Å; F199-L226 HydrophobicContact CG-CD1 4.16Å; L200-L226 HydrophobicContact CD2-CD2 4.04Å; V203-L226 HydrophobicContact CG2-CD2 3.84Å; V209-L226 HydrophobicContact CG2-CD2 3.99Å; L226-L228 VanDerWaalsContact C-N 3.26Å; L226-L228 PolarHBondContact O-N 2.99Å; L226-M229 HydrophobicContact CD1-SD 3.99Å; L226-M229 PolarHBondContact O-N 3.02Å; L226-A230 PolarHBondContact O-N 3.17Å; L226-L250 HydrophobicContact CB-CD2 4.24Å; L226-L250 HydrophobicContact CD2-CD2 3.85Å; L226-L250 HydrophobicContact CG-CD2 3.54Å; L226-E253 WeakPolarHBondContact CB-OE2 3.47Å |
| 227 | P | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -33.7 | 173.1 | -26.3 | 37.4 | 0 | 0 | 0 | 113.4 | A230 E231 L250 N357 L360 | P227-A230 PolarHBondContact O-N 3.34Å; P227-E231 PolarHBondContact O-N 3.45Å; P227-L250 HydrophobicContact CG-CD2 4.38Å; P227-N357 HydrophobicContact CG-CB 4.23Å; P227-L360 HydrophobicContact CB-CB 4.43Å; P227-L360 HydrophobicContact CB-CD1 4.05Å |
| 228 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73 | -35.9 | 176.5 | -71.3 | 78 | 0 | 0 | 0 | 111.5 | Y177 F225 L226 A230 E231 S232 L353 R356 N357 L360 W423 | Y177-L228 HydrophobicContact CD2-CB 3.94Å; Y177-L228 HydrophobicContact CE2-CB 3.57Å; Y177-L228 HydrophobicContact CE2-CD2 4.24Å; F225-L228 HydrophobicContact CD1-CB 4.46Å; F225-L228 HydrophobicContact CD1-CD2 3.86Å; F225-L228 HydrophobicContact CE1-CD2 4.06Å; F225-L228 WeakPolarHBondContact O-CA 3.39Å; F225-L228 WeakPolarHBondContact O-CB 3.47Å; F225-L228 PolarHBondContact O-N 2.97Å; L226-L228 VanDerWaalsContact C-N 3.26Å; L226-L228 PolarHBondContact O-N 2.99Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-E231 WeakPolarHBondContact O-CB 3.41Å; L228-E231 PolarHBondContact O-N 3.33Å; L228-S232 PolarHBondContact O-N 3.28Å; L228-S232 PolarHBondContact O-OG 3.38Å; L228-L353 HydrophobicContact CD1-CD1 3.72Å; L228-L353 HydrophobicContact CD2-CD1 4.35Å; L228-R356 HydrophobicContact CD1-CG 4.49Å; L228-R356 VanDerWaalsContact CD2-CZ 3.49Å; L228-N357 WeakPolarHBondContact CD1-OD1 3.35Å; L228-L360 HydrophobicContact CB-CD1 4.46Å; L228-L360 HydrophobicContact CD1-CD1 3.86Å; L228-L360 HydrophobicContact CG-CD1 3.83Å; L228-W423 HydrophobicContact CD2-CH2 3.44Å; L228-W423 VanDerWaalsContact CD2-CH2 3.44Å; L228-W423 HydrophobicContact CD2-CZ2 3.61Å |
| 229 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 172.7 | -61.5 | 166.9 | -171.2 | 0 | 0 | 111.1 | Y173 Y177 I180 I196 F199 F225 L226 S232 Y233 | Y173-M229 HydrophobicContact CD2-CE 3.98Å; Y173-M229 HydrophobicContact CE2-CE 3.99Å; Y173-M229 WeakPolarHBondContact O-CE 3.39Å; Y177-M229 HydrophobicContact CD2-CG 4.07Å; I180-M229 HydrophobicContact CD1-CB 4.02Å; I180-M229 HydrophobicContact CD1-CE 4.48Å; I180-M229 HydrophobicContact CD1-CG 3.72Å; I180-M229 HydrophobicContact CD1-SD 3.58Å; I180-M229 VanDerWaalsContact CD1-SD 3.58Å; I196-M229 HydrophobicContact CD1-CB 4.28Å; I196-M229 WeakPolarHBondContact CD1-O 3.25Å; I196-M229 HydrophobicContact CG1-CB 4.07Å; F199-M229 HydrophobicContact CD2-CE 4.47Å; F199-M229 HydrophobicContact CD2-SD 3.75Å; F199-M229 HydrophobicContact CE2-CE 4.09Å; F199-M229 HydrophobicContact CE2-SD 3.84Å; F225-M229 HydrophobicContact CB-CE 3.99Å; F225-M229 WeakPolarHBondContact O-CG 3.39Å; F225-M229 PolarHBondContact O-N 3.42Å; L226-M229 HydrophobicContact CD1-SD 3.99Å; L226-M229 PolarHBondContact O-N 3.02Å; M229-S232 PolarHBondContact O-N 3.23Å; M229-Y233 PolarHBondContact O-N 2.88Å |
| 230 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L226 P227 L228 Y234 F242 L250 F364 | L226-A230 PolarHBondContact O-N 3.17Å; P227-A230 PolarHBondContact O-N 3.34Å; L228-A230 VanDerWaalsContact C-N 3.33Å; A230-Y234 VanDerWaalsContact O-CB 3.24Å; A230-Y234 WeakPolarHBondContact O-CB 3.36Å; A230-Y234 PolarHBondContact O-N 3.2Å; A230-F242 HydrophobicContact CB-CE1 4.12Å; A230-F242 HydrophobicContact CB-CZ 4.21Å; A230-L250 HydrophobicContact CB-CD1 4.01Å; A230-F364 HydrophobicContact CB-CE2 4.43Å; A230-F364 HydrophobicContact CB-CZ 4.49Å |
| 231 | E | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 33 Ų | 33 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.8 | -52.9 | 171.6 | 178.4 | -177.1 | -134.5 | 0 | 0 | 110.8 | P227 L228 Y233 Y234 G235 R356 L360 F364 | P227-E231 PolarHBondContact O-N 3.45Å; L228-E231 WeakPolarHBondContact O-CB 3.41Å; L228-E231 PolarHBondContact O-N 3.33Å; E231-Y233 PolarHBondContact O-N 3.21Å; E231-Y234 PolarHBondContact O-N 2.82Å; E231-G235 PolarHBondContact O-N 3.49Å; E231-R356 IonicContact OE2-NH2 2.72Å; E231-R356 PolarHBondContact OE2-NH2 3.28Å; E231-R356 VanDerWaalsContact OE2-NH2 3.1Å; E231-L360 HydrophobicContact CB-CD1 4.35Å; E231-L360 HydrophobicContact CB-CD2 4.17Å; E231-L360 HydrophobicContact CG-CD2 4.04Å; E231-L360 WeakPolarHBondContact OE1-CD2 3.38Å; E231-F364 HydrophobicContact CB-CE1 4.4Å; E231-F364 HydrophobicContact CB-CZ 3.98Å |
| 232 | S | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -47.7 | -179.7 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | N181 L228 M229 G235 A236 | N181-S232 VanDerWaalsContact OD1-CB 3.26Å; N181-S232 WeakPolarHBondContact OD1-CB 3.48Å; N181-S232 PolarHBondContact OD1-OG 2.64Å; L228-S232 PolarHBondContact O-N 3.28Å; L228-S232 PolarHBondContact O-OG 3.38Å; M229-S232 PolarHBondContact O-N 3.23Å; S232-G235 PolarHBondContact O-N 3.05Å; S232-A236 PolarHBondContact O-N 2.97Å |
| 233 | Y | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 179.3 | 179 | -97.5 | 0 | 0 | 0 | 112.6 | T189 Y193 I196 M229 E231 G235 A236 T237 N239 F242 | T189-Y233 HydrophobicContact CG2-CD2 4.12Å; T189-Y233 HydrophobicContact CG2-CE2 3.55Å; Y193-Y233 AromaticContact CD2-CE1 3.77Å; Y193-Y233 HydrophobicContact CD2-CE1 3.77Å; Y193-Y233 HydrophobicContact CD2-CE2 4.04Å; Y193-Y233 AromaticContact CD2-CZ 3.45Å; Y193-Y233 VanDerWaalsContact CD2-CZ 3.45Å; Y193-Y233 VanDerWaalsContact CD2-OH 3.31Å; Y193-Y233 WeakPolarHBondContact CD2-OH 3.17Å; Y193-Y233 HydrophobicContact CE2-CE1 4.41Å; Y193-Y233 HydrophobicContact CG-CE2 4.26Å; I196-Y233 HydrophobicContact CD1-CD2 4.42Å; I196-Y233 HydrophobicContact CD1-CG 4.05Å; M229-Y233 PolarHBondContact O-N 2.88Å; E231-Y233 PolarHBondContact O-N 3.21Å; Y233-G235 VanDerWaalsContact C-N 3.34Å; Y233-A236 PolarHBondContact O-N 3Å; Y233-T237 HydrophobicContact CD2-CG2 4.12Å; Y233-T237 HydrophobicContact CE1-CG2 4.26Å; Y233-T237 HydrophobicContact CE2-CG2 3.69Å; Y233-T237 WeakPolarHBondContact O-CB 3.42Å; Y233-T237 WeakPolarHBondContact O-CG2 3.46Å; Y233-T237 PolarHBondContact O-N 3.39Å; Y233-T237 PolarHBondContact O-OG1 3.48Å; Y233-N239 HydrophobicContact CE1-CB 4.27Å; Y233-F242 AromaticContact CD1-CD1 3.38Å; Y233-F242 HydrophobicContact CD1-CD1 3.38Å; Y233-F242 HydrophobicContact CD1-CD2 4.45Å; Y233-F242 AromaticContact CD1-CE1 3.52Å; Y233-F242 HydrophobicContact CD1-CE1 3.52Å; Y233-F242 AromaticContact CD1-CG 3.87Å; Y233-F242 HydrophobicContact CD1-CG 3.87Å; Y233-F242 HydrophobicContact CD1-CZ 4.12Å; Y233-F242 HydrophobicContact CE1-CB 4.02Å; Y233-F242 AromaticContact CE1-CD1 3.66Å; Y233-F242 HydrophobicContact CE1-CD1 3.66Å; Y233-F242 HydrophobicContact CE1-CD2 4.27Å; Y233-F242 HydrophobicContact CE1-CE1 4.21Å; Y233-F242 AromaticContact CE1-CG 3.68Å; Y233-F242 HydrophobicContact CE1-CG 3.68Å; Y233-F242 HydrophobicContact CG-CE1 4.4Å |
| 234 | Y | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -42 | 175.9 | 177.7 | -103 | 0 | 0 | 0 | 111.4 | A230 E231 A236 T237 G238 Q240 L243 L367 | A230-Y234 VanDerWaalsContact O-CB 3.24Å; A230-Y234 WeakPolarHBondContact O-CB 3.36Å; A230-Y234 PolarHBondContact O-N 3.2Å; E231-Y234 PolarHBondContact O-N 2.82Å; Y234-A236 VanDerWaalsContact C-N 3.29Å; Y234-A236 PolarHBondContact O-N 2.96Å; Y234-T237 PolarHBondContact O-N 3.12Å; Y234-G238 WeakPolarHBondContact O-CA 3.27Å; Y234-G238 PolarHBondContact O-N 3.46Å; Y234-Q240 HydrophobicContact CE2-CG 3.86Å; Y234-L243 HydrophobicContact CD1-CD2 4.44Å; Y234-L243 HydrophobicContact CD2-CB 4.13Å; Y234-L243 HydrophobicContact CD2-CD2 4.03Å; Y234-L243 HydrophobicContact CE2-CD2 4.16Å; Y234-L243 HydrophobicContact CG-CD2 4.18Å; Y234-L367 HydrophobicContact CD1-CD1 4.49Å; Y234-L367 HydrophobicContact CE1-CD1 3.79Å |
| 235 | G | 98.3 | Very high | 98.5 | Very high | 66 Ų | 66 | 43 Ų | 43 | 68% | 0.68 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E231 S232 Y233 | E231-G235 PolarHBondContact O-N 3.49Å; S232-G235 PolarHBondContact O-N 3.05Å; Y233-G235 VanDerWaalsContact C-N 3.34Å |
| 236 | A | 98.1 | Very high | 98.5 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 46% | 0.463 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.2 | -30.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | I184 S232 Y233 Y234 | I184-A236 HydrophobicContact CG2-CB 3.55Å; S232-A236 PolarHBondContact O-N 2.97Å; Y233-A236 PolarHBondContact O-N 3Å; Y234-A236 VanDerWaalsContact C-N 3.29Å; Y234-A236 PolarHBondContact O-N 2.96Å |
| 237 | T | 98.1 | Very high | 98.5 | Very high | 55 Ų | 55 | 43 Ų | 43 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -114.6 | -22.1 | -168.4 | 61.6 | 0 | 0 | 0 | 0 | 115 | T189 Y233 Y234 N239 | T189-T237 HydrophobicContact CG2-CG2 3.43Å; T189-T237 VanDerWaalsContact CG2-CG2 3.43Å; Y233-T237 HydrophobicContact CD2-CG2 4.12Å; Y233-T237 HydrophobicContact CE1-CG2 4.26Å; Y233-T237 HydrophobicContact CE2-CG2 3.69Å; Y233-T237 WeakPolarHBondContact O-CB 3.42Å; Y233-T237 WeakPolarHBondContact O-CG2 3.46Å; Y233-T237 PolarHBondContact O-N 3.39Å; Y233-T237 PolarHBondContact O-OG1 3.48Å; Y234-T237 PolarHBondContact O-N 3.12Å; T237-N239 PolarHBondContact O-N 3.47Å; T237-N239 VanDerWaalsContact OG1-CB 3.32Å; T237-N239 WeakPolarHBondContact OG1-CB 3.26Å; T237-N239 PolarHBondContact OG1-N 2.75Å |
| 238 | G | 97.9 | Very high | 98.5 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | trans | 63 | 13.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y234 Q240 | Y234-G238 WeakPolarHBondContact O-CA 3.27Å; Y234-G238 PolarHBondContact O-N 3.46Å; G238-Q240 PolarHBondContact O-N 3.16Å | ||
| 239 | N | 98.1 | Very high | 98.5 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -73.1 | 89.4 | -170.8 | -170.8 | -22.4 | 0 | 0 | 0 | 112.2 | Y233 T237 Q241 F242 L243 | Y233-N239 HydrophobicContact CE1-CB 4.27Å; T237-N239 PolarHBondContact O-N 3.47Å; T237-N239 VanDerWaalsContact OG1-CB 3.32Å; T237-N239 WeakPolarHBondContact OG1-CB 3.26Å; T237-N239 PolarHBondContact OG1-N 2.75Å; N239-Q241 VanDerWaalsContact C-N 3.27Å; N239-Q241 PolarHBondContact O-N 3.1Å; N239-Q241 WeakPolarHBondContact OD1-CB 3.42Å; N239-Q241 PolarHBondContact OD1-N 3.17Å; N239-Q241 VanDerWaalsContact OD1-N 3.12Å; N239-F242 HydrophobicContact CB-CB 4.16Å; N239-F242 PolarHBondContact O-N 3.35Å; N239-F242 PolarHBondContact OD1-N 3.19Å; N239-L243 PolarHBondContact O-N 3.32Å | ||
| 240 | Q | 97.4 | Very high | 98.5 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -26.8 | 177.6 | -69.5 | -172.2 | -2.8 | 0 | 0 | 113.3 | Y234 G238 L243 R244 | Y234-Q240 HydrophobicContact CE2-CG 3.86Å; G238-Q240 PolarHBondContact O-N 3.16Å; Q240-L243 PolarHBondContact O-N 2.87Å; Q240-R244 WeakPolarHBondContact O-CB 3.49Å; Q240-R244 PolarHBondContact O-N 3.45Å |
| 241 | Q | 98.1 | Very high | 98.5 | Very high | 160 Ų | 160 | 49.2 Ų | 49.2 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.3 | -44.9 | 178.4 | -177.6 | 178.2 | 8.6 | 0 | 0 | 110.8 | N239 L243 R244 A245 | N239-Q241 VanDerWaalsContact C-N 3.27Å; N239-Q241 PolarHBondContact O-N 3.1Å; N239-Q241 WeakPolarHBondContact OD1-CB 3.42Å; N239-Q241 PolarHBondContact OD1-N 3.17Å; N239-Q241 VanDerWaalsContact OD1-N 3.12Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-R244 PolarHBondContact O-N 2.03Å; Q241-A245 PolarHBondContact O-N 2.69Å; Q241-A245 VanDerWaalsContact O-N 3.09Å |
| 242 | F | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -51 | 171 | 161.6 | -101.3 | 0 | 0 | 0 | 110.7 | Y193 I196 L200 A230 Y233 N239 R244 A245 A246 | Y193-F242 HydrophobicContact CD2-CD2 4.08Å; Y193-F242 HydrophobicContact CD2-CE2 4.42Å; Y193-F242 HydrophobicContact CE2-CB 4.47Å; Y193-F242 AromaticContact CE2-CD2 3.59Å; Y193-F242 HydrophobicContact CE2-CD2 3.59Å; Y193-F242 HydrophobicContact CE2-CE2 4.22Å; Y193-F242 HydrophobicContact CE2-CG 4.28Å; I196-F242 HydrophobicContact CG2-CE2 3.98Å; I196-F242 HydrophobicContact CG2-CZ 3.69Å; L200-F242 HydrophobicContact CD1-CE2 3.99Å; A230-F242 HydrophobicContact CB-CE1 4.12Å; A230-F242 HydrophobicContact CB-CZ 4.21Å; Y233-F242 AromaticContact CD1-CD1 3.38Å; Y233-F242 HydrophobicContact CD1-CD1 3.38Å; Y233-F242 HydrophobicContact CD1-CD2 4.45Å; Y233-F242 AromaticContact CD1-CE1 3.52Å; Y233-F242 HydrophobicContact CD1-CE1 3.52Å; Y233-F242 AromaticContact CD1-CG 3.87Å; Y233-F242 HydrophobicContact CD1-CG 3.87Å; Y233-F242 HydrophobicContact CD1-CZ 4.12Å; Y233-F242 HydrophobicContact CE1-CB 4.02Å; Y233-F242 AromaticContact CE1-CD1 3.66Å; Y233-F242 HydrophobicContact CE1-CD1 3.66Å; Y233-F242 HydrophobicContact CE1-CD2 4.27Å; Y233-F242 HydrophobicContact CE1-CE1 4.21Å; Y233-F242 AromaticContact CE1-CG 3.68Å; Y233-F242 HydrophobicContact CE1-CG 3.68Å; Y233-F242 HydrophobicContact CG-CE1 4.4Å; N239-F242 HydrophobicContact CB-CB 4.16Å; N239-F242 PolarHBondContact O-N 3.35Å; N239-F242 PolarHBondContact OD1-N 3.19Å; F242-R244 VanDerWaalsContact C-N 3.29Å; F242-R244 PolarHBondContact O-N 3.01Å; F242-A245 PolarHBondContact O-N 3.42Å; F242-A246 HydrophobicContact CE1-CB 4.41Å; F242-A246 HydrophobicContact CE2-CB 4.02Å; F242-A246 HydrophobicContact CZ-CB 3.96Å; F242-A246 WeakPolarHBondContact O-CB 3.46Å; F242-A246 PolarHBondContact O-N 3.37Å |
| 243 | L | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -41.1 | -177 | -171.9 | 61.9 | 0 | 0 | 0 | 111.9 | Y234 N239 Q240 Q241 A245 A246 L247 F364 L367 L368 | Y234-L243 HydrophobicContact CD1-CD2 4.44Å; Y234-L243 HydrophobicContact CD2-CB 4.13Å; Y234-L243 HydrophobicContact CD2-CD2 4.03Å; Y234-L243 HydrophobicContact CE2-CD2 4.16Å; Y234-L243 HydrophobicContact CG-CD2 4.18Å; N239-L243 PolarHBondContact O-N 3.32Å; Q240-L243 PolarHBondContact O-N 2.87Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.4Å; L243-A246 PolarHBondContact O-N 3.31Å; L243-L247 VanDerWaalsContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CB 3.2Å; L243-L247 PolarHBondContact O-N 2.98Å; L243-F364 HydrophobicContact CD1-CB 4.22Å; L243-F364 HydrophobicContact CD1-CD1 3.79Å; L243-F364 HydrophobicContact CD1-CD2 3.86Å; L243-F364 HydrophobicContact CD1-CE1 4.01Å; L243-F364 HydrophobicContact CD1-CE2 4.07Å; L243-F364 HydrophobicContact CD1-CG 3.7Å; L243-F364 HydrophobicContact CD1-CZ 4.14Å; L243-F364 HydrophobicContact CD2-CB 4.2Å; L243-F364 HydrophobicContact CD2-CD1 3.83Å; L243-F364 HydrophobicContact CD2-CE1 4.48Å; L243-F364 HydrophobicContact CD2-CG 4.16Å; L243-F364 HydrophobicContact CG-CB 4.39Å; L243-F364 HydrophobicContact CG-CD1 4.37Å; L243-F364 HydrophobicContact CG-CG 4.33Å; L243-L367 HydrophobicContact CD2-CD1 4.37Å; L243-L368 HydrophobicContact CG-CD1 4.44Å |
| 244 | R | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 48 Ų | 48 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 175.8 | -172.9 | 179.6 | -63.5 | 158.9 | 3.4 | 112.7 | Q240 Q241 F242 P248 L368 | Q240-R244 WeakPolarHBondContact O-CB 3.49Å; Q240-R244 PolarHBondContact O-N 3.45Å; Q241-R244 PolarHBondContact O-N 2.03Å; F242-R244 VanDerWaalsContact C-N 3.29Å; F242-R244 PolarHBondContact O-N 3.01Å; R244-P248 WeakPolarHBondContact O-CD 3.23Å; R244-L368 HydrophobicContact CB-CD1 4.14Å; R244-L368 HydrophobicContact CB-CD2 4.18Å |
| 245 | A | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q241 F242 L243 | Q241-A245 PolarHBondContact O-N 2.69Å; Q241-A245 VanDerWaalsContact O-N 3.09Å; F242-A245 PolarHBondContact O-N 3.42Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.4Å |
| 246 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.6 | -36.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L200 F242 L243 I249 L250 | L200-A246 HydrophobicContact CD1-CB 3.78Å; L200-A246 HydrophobicContact CD2-CB 4.04Å; F242-A246 HydrophobicContact CE1-CB 4.41Å; F242-A246 HydrophobicContact CE2-CB 4.02Å; F242-A246 HydrophobicContact CZ-CB 3.96Å; F242-A246 WeakPolarHBondContact O-CB 3.46Å; F242-A246 PolarHBondContact O-N 3.37Å; L243-A246 PolarHBondContact O-N 3.31Å; A246-I249 WeakPolarHBondContact O-CA 3.47Å; A246-I249 WeakPolarHBondContact O-CB 3.24Å; A246-I249 PolarHBondContact O-N 2.63Å; A246-L250 WeakPolarHBondContact O-CG 3.29Å; A246-L250 PolarHBondContact O-N 2.85Å |
| 247 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.6 | -47.9 | -168.6 | -178.4 | 58.4 | 0 | 0 | 0 | 114.6 | L243 I249 L250 E251 L361 F364 L368 | L243-L247 VanDerWaalsContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CB 3.2Å; L243-L247 PolarHBondContact O-N 2.98Å; L247-I249 PolarHBondContact O-N 3.43Å; L247-L250 WeakPolarHBondContact O-CB 3.18Å; L247-L250 PolarHBondContact O-N 2.81Å; L247-L250 VanDerWaalsContact O-N 3.15Å; L247-E251 HydrophobicContact CD1-CG 4.37Å; L247-E251 WeakPolarHBondContact O-CG 3.3Å; L247-E251 PolarHBondContact O-N 2.93Å; L247-L361 HydrophobicContact CD1-CD2 3.64Å; L247-F364 HydrophobicContact CD1-CB 3.91Å; L247-F364 HydrophobicContact CD1-CD2 4.14Å; L247-F364 HydrophobicContact CD2-CB 4.13Å; L247-L368 HydrophobicContact CD2-CD1 3.76Å |
| 248 | P | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -28.8 | 177.8 | -23 | 34.7 | 0 | 0 | 0 | 114 | R244 T252 | R244-P248 WeakPolarHBondContact O-CD 3.23Å; P248-T252 PolarHBondContact O-N 2.94Å; P248-T252 VanDerWaalsContact O-N 3.17Å; P248-T252 PolarHBondContact O-OG1 2.58Å |
| 249 | I | 98.9 | Very high | 98.6 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.2 | -42.7 | 177.9 | -55.7 | 171.2 | 0 | 0 | 0 | 109.3 | L200 V203 E204 A246 L247 E251 T252 E253 | L200-I249 HydrophobicContact CB-CD1 4.03Å; L200-I249 HydrophobicContact CB-CG2 4.16Å; L200-I249 HydrophobicContact CD2-CB 3.86Å; L200-I249 HydrophobicContact CD2-CD1 4.31Å; L200-I249 HydrophobicContact CD2-CG2 3.71Å; V203-I249 HydrophobicContact CB-CG2 3.56Å; V203-I249 HydrophobicContact CG1-CG2 3.53Å; V203-I249 WeakPolarHBondContact CG1-O 3.44Å; V203-I249 HydrophobicContact CG2-CG2 4.42Å; E204-I249 HydrophobicContact CG-CD1 3.86Å; E204-I249 HydrophobicContact CG-CG1 4.06Å; E204-I249 HydrophobicContact CG-CG2 4.23Å; E204-I249 WeakPolarHBondContact OE1-CD1 3.22Å; A246-I249 WeakPolarHBondContact O-CA 3.47Å; A246-I249 WeakPolarHBondContact O-CB 3.24Å; A246-I249 PolarHBondContact O-N 2.63Å; L247-I249 PolarHBondContact O-N 3.43Å; I249-E251 VanDerWaalsContact C-N 3.27Å; I249-E251 PolarHBondContact O-N 3.47Å; I249-T252 WeakPolarHBondContact O-CA 3.44Å; I249-T252 VanDerWaalsContact O-CB 3.26Å; I249-T252 WeakPolarHBondContact O-CB 3.4Å; I249-T252 PolarHBondContact O-N 3.33Å; I249-E253 PolarHBondContact O-N 2.87Å; I249-E253 VanDerWaalsContact O-N 3.12Å |
| 250 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 172.3 | -57.8 | 180 | 0 | 0 | 0 | 111.8 | L200 L226 P227 A230 A246 L247 T252 E253 Y254 L361 F364 | L200-L250 HydrophobicContact CD2-CD2 4.08Å; L226-L250 HydrophobicContact CB-CD2 4.24Å; L226-L250 HydrophobicContact CD2-CD2 3.85Å; L226-L250 HydrophobicContact CG-CD2 3.54Å; P227-L250 HydrophobicContact CG-CD2 4.38Å; A230-L250 HydrophobicContact CB-CD1 4.01Å; A246-L250 WeakPolarHBondContact O-CG 3.29Å; A246-L250 PolarHBondContact O-N 2.85Å; L247-L250 WeakPolarHBondContact O-CB 3.18Å; L247-L250 PolarHBondContact O-N 2.81Å; L247-L250 VanDerWaalsContact O-N 3.15Å; L250-T252 VanDerWaalsContact C-N 3.26Å; L250-T252 PolarHBondContact O-N 2.86Å; L250-E253 PolarHBondContact O-N 2.98Å; L250-Y254 PolarHBondContact O-N 2.83Å; L250-L361 HydrophobicContact CB-CD2 3.91Å; L250-F364 HydrophobicContact CD1-CD2 4.08Å; L250-F364 HydrophobicContact CD1-CE2 3.87Å |
| 251 | E | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -29.2 | 175.2 | -65.7 | -175 | 114.3 | 0 | 0 | 112.6 | L247 I249 R255 L361 H365 Y377 | L247-E251 HydrophobicContact CD1-CG 4.37Å; L247-E251 WeakPolarHBondContact O-CG 3.3Å; L247-E251 PolarHBondContact O-N 2.93Å; I249-E251 VanDerWaalsContact C-N 3.27Å; I249-E251 PolarHBondContact O-N 3.47Å; E251-R255 WeakPolarHBondContact O-CB 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.27Å; E251-R255 PolarHBondContact O-N 3.25Å; E251-L361 HydrophobicContact CG-CD2 4.13Å; E251-H365 IonicContact OE1-CD2 2.83Å; E251-H365 IonicContact OE1-CE1 3.74Å; E251-H365 IonicContact OE1-NE2 3.16Å; E251-H365 PolarHBondContact OE1-NE2 3.48Å; E251-H365 IonicContact OE2-CE1 3.49Å; E251-H365 IonicContact OE2-NE2 2.83Å; E251-Y377 HydrophobicContact CG-CE2 4.46Å; E251-Y377 VanDerWaalsContact CG-OH 3.26Å; E251-Y377 WeakPolarHBondContact CG-OH 3.47Å; E251-Y377 WeakPolarHBondContact OE1-CE2 3.46Å; E251-Y377 VanDerWaalsContact OE1-CZ 3.3Å; E251-Y377 PolarHBondContact OE1-OH 3.03Å |
| 252 | T | 98.9 | Very high | 98.6 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -46.8 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | V203 P248 I249 L250 R255 F256 | V203-T252 HydrophobicContact CG1-CG2 4.04Å; P248-T252 PolarHBondContact O-N 2.94Å; P248-T252 VanDerWaalsContact O-N 3.17Å; P248-T252 PolarHBondContact O-OG1 2.58Å; I249-T252 WeakPolarHBondContact O-CA 3.44Å; I249-T252 VanDerWaalsContact O-CB 3.26Å; I249-T252 WeakPolarHBondContact O-CB 3.4Å; I249-T252 PolarHBondContact O-N 3.33Å; L250-T252 VanDerWaalsContact C-N 3.26Å; L250-T252 PolarHBondContact O-N 2.86Å; T252-R255 PolarHBondContact O-N 3.16Å; T252-R255 PolarHBondContact OG1-NH2 3.32Å; T252-F256 PolarHBondContact O-N 2.64Å; T252-F256 VanDerWaalsContact O-N 3.09Å |
| 253 | E | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.2 | -176.3 | -179.3 | -149.2 | 0 | 0 | 111.9 | Y173 V203 F208 L226 I249 L250 R255 F256 W257 | Y173-E253 WeakPolarHBondContact CE1-OE1 3.41Å; Y173-E253 PolarHBondContact OH-OE1 3.15Å; Y173-E253 PolarHBondContact OH-OE2 3.43Å; V203-E253 HydrophobicContact CG1-CB 3.98Å; V203-E253 HydrophobicContact CG2-CB 4.08Å; F208-E253 HydrophobicContact CB-CG 4.46Å; L226-E253 WeakPolarHBondContact CB-OE2 3.47Å; I249-E253 PolarHBondContact O-N 2.87Å; I249-E253 VanDerWaalsContact O-N 3.12Å; L250-E253 PolarHBondContact O-N 2.98Å; E253-R255 VanDerWaalsContact C-N 3.28Å; E253-R255 PolarHBondContact O-N 2.9Å; E253-F256 WeakPolarHBondContact O-CB 3.36Å; E253-F256 PolarHBondContact O-N 3.22Å; E253-F256 VanDerWaalsContact O-N 3.08Å; E253-W257 VanDerWaalsContact O-CD1 3.25Å; E253-W257 PolarHBondContact O-N 3.31Å; E253-W257 VanDerWaalsContact O-N 3.16Å |
| 254 | Y | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 11% | 0.114 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 175.5 | 173.8 | -101.6 | 0 | 0 | 0 | 111.9 | L250 F256 W257 M258 L354 E358 L361 Y377 | L250-Y254 PolarHBondContact O-N 2.83Å; Y254-F256 VanDerWaalsContact C-N 3.34Å; Y254-F256 PolarHBondContact O-N 3.43Å; Y254-W257 PolarHBondContact O-N 3.05Å; Y254-M258 HydrophobicContact CD1-CG 4.23Å; Y254-M258 HydrophobicContact CD2-CG 4.39Å; Y254-M258 HydrophobicContact CE1-CG 3.69Å; Y254-M258 HydrophobicContact CE2-CG 3.87Å; Y254-M258 HydrophobicContact CE2-SD 4.02Å; Y254-M258 VanDerWaalsContact CZ-CG 3.49Å; Y254-M258 WeakPolarHBondContact O-CG 3.47Å; Y254-M258 PolarHBondContact O-N 3.29Å; Y254-L354 HydrophobicContact CD2-CD2 4.48Å; Y254-E358 HydrophobicContact CD2-CG 4.5Å; Y254-E358 HydrophobicContact CE2-CG 3.53Å; Y254-E358 PolarHBondContact OH-OE1 2.9Å; Y254-L361 HydrophobicContact CD1-CD1 4.22Å; Y254-L361 HydrophobicContact CD2-CD1 4.25Å; Y254-L361 HydrophobicContact CG-CD1 3.85Å; Y254-Y377 AromaticContact CD1-CE1 3.72Å; Y254-Y377 HydrophobicContact CD1-CE1 3.72Å; Y254-Y377 HydrophobicContact CE1-CD1 4.25Å; Y254-Y377 AromaticContact CE1-CE1 3.63Å; Y254-Y377 HydrophobicContact CE1-CE1 3.63Å |
| 255 | R | 98.8 | Very high | 98.5 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 174.5 | -77.4 | -177.2 | -60.3 | 124.3 | -2.8 | 112.3 | E251 T252 E253 W257 M258 Q259 | E251-R255 WeakPolarHBondContact O-CB 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.27Å; E251-R255 PolarHBondContact O-N 3.25Å; T252-R255 PolarHBondContact O-N 3.16Å; T252-R255 PolarHBondContact OG1-NH2 3.32Å; E253-R255 VanDerWaalsContact C-N 3.28Å; E253-R255 PolarHBondContact O-N 2.9Å; R255-W257 VanDerWaalsContact C-N 3.35Å; R255-W257 PolarHBondContact O-N 3.43Å; R255-M258 PolarHBondContact O-N 3.26Å; R255-Q259 VanDerWaalsContact O-CB 3.29Å; R255-Q259 WeakPolarHBondContact O-CB 3Å; R255-Q259 VanDerWaalsContact O-CG 3.24Å; R255-Q259 WeakPolarHBondContact O-CG 3.24Å; R255-Q259 PolarHBondContact O-N 2.97Å |
| 256 | F | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 173.3 | 162.9 | -93.9 | 0 | 0 | 0 | 111.4 | G207 F208 T252 E253 Y254 M258 Q259 N260 R261 | G207-F256 WeakPolarHBondContact O-CB 3.42Å; F208-F256 HydrophobicContact CB-CB 4.15Å; F208-F256 HydrophobicContact CB-CD1 3.47Å; F208-F256 VanDerWaalsContact CB-CD1 3.47Å; F208-F256 HydrophobicContact CB-CD2 4.03Å; F208-F256 HydrophobicContact CB-CE1 3.75Å; F208-F256 HydrophobicContact CB-CE2 4.27Å; F208-F256 HydrophobicContact CB-CG 3.61Å; F208-F256 HydrophobicContact CB-CZ 4.12Å; F208-F256 HydrophobicContact CD1-CD1 4.45Å; F208-F256 AromaticContact CD1-CD2 3.62Å; F208-F256 HydrophobicContact CD1-CD2 3.62Å; F208-F256 HydrophobicContact CD1-CE1 4.3Å; F208-F256 AromaticContact CD1-CE2 3.42Å; F208-F256 HydrophobicContact CD1-CE2 3.42Å; F208-F256 VanDerWaalsContact CD1-CE2 3.42Å; F208-F256 HydrophobicContact CD1-CG 4.12Å; F208-F256 AromaticContact CD1-CZ 3.79Å; F208-F256 HydrophobicContact CD1-CZ 3.79Å; F208-F256 HydrophobicContact CD2-CE1 4.17Å; F208-F256 HydrophobicContact CD2-CE2 4.49Å; F208-F256 HydrophobicContact CD2-CZ 4.02Å; F208-F256 HydrophobicContact CE1-CD2 4.38Å; F208-F256 AromaticContact CE1-CE2 3.82Å; F208-F256 HydrophobicContact CE1-CE2 3.82Å; F208-F256 HydrophobicContact CE1-CZ 4.19Å; F208-F256 HydrophobicContact CE2-CZ 4.41Å; F208-F256 HydrophobicContact CG-CD1 4.01Å; F208-F256 HydrophobicContact CG-CD2 4.02Å; F208-F256 AromaticContact CG-CE1 3.83Å; F208-F256 HydrophobicContact CG-CE1 3.83Å; F208-F256 AromaticContact CG-CE2 3.82Å; F208-F256 HydrophobicContact CG-CE2 3.82Å; F208-F256 HydrophobicContact CG-CG 4.09Å; F208-F256 AromaticContact CG-CZ 3.71Å; F208-F256 HydrophobicContact CG-CZ 3.71Å; F208-F256 HydrophobicContact CZ-CZ 4.48Å; T252-F256 PolarHBondContact O-N 2.64Å; T252-F256 VanDerWaalsContact O-N 3.09Å; E253-F256 WeakPolarHBondContact O-CB 3.36Å; E253-F256 PolarHBondContact O-N 3.22Å; E253-F256 VanDerWaalsContact O-N 3.08Å; Y254-F256 VanDerWaalsContact C-N 3.34Å; Y254-F256 PolarHBondContact O-N 3.43Å; F256-M258 VanDerWaalsContact C-N 3.32Å; F256-M258 PolarHBondContact O-N 3.13Å; F256-Q259 PolarHBondContact O-N 2.97Å; F256-N260 HydrophobicContact CD2-CB 4.02Å; F256-N260 HydrophobicContact CE2-CB 3.94Å; F256-N260 VanDerWaalsContact O-CB 3.29Å; F256-N260 WeakPolarHBondContact O-CB 3.3Å; F256-N260 PolarHBondContact O-N 2.99Å; F256-N260 PolarHBondContact O-OD1 3.42Å; F256-R261 HydrophobicContact CE1-CG 4.35Å |
| 257 | W | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.3 | -73.8 | 96.7 | 0 | 0 | 0 | 111.6 | Q222 P224 E253 Y254 R255 Q259 R261 S262 N275 F277 E316 L350 L354 | Q222-W257 VanDerWaalsContact O-CZ2 3.28Å; Q222-W257 WeakPolarHBondContact O-CZ2 3.32Å; P224-W257 HydrophobicContact CB-CZ2 4.19Å; P224-W257 HydrophobicContact CG-CD2 4.21Å; P224-W257 HydrophobicContact CG-CZ2 4.04Å; E253-W257 VanDerWaalsContact O-CD1 3.25Å; E253-W257 PolarHBondContact O-N 3.31Å; E253-W257 VanDerWaalsContact O-N 3.16Å; Y254-W257 PolarHBondContact O-N 3.05Å; R255-W257 VanDerWaalsContact C-N 3.35Å; R255-W257 PolarHBondContact O-N 3.43Å; W257-Q259 PolarHBondContact O-N 2.86Å; W257-R261 HydrophobicContact CD2-CG 4.42Å; W257-R261 HydrophobicContact CE3-CB 3.67Å; W257-R261 HydrophobicContact CE3-CG 3.64Å; W257-R261 HydrophobicContact CZ3-CB 4.14Å; W257-R261 HydrophobicContact CZ3-CG 3.84Å; W257-R261 CarbonylContact O-C 3.46Å; W257-R261 WeakPolarHBondContact O-CA 3.28Å; W257-R261 WeakPolarHBondContact O-CB 2.93Å; W257-R261 PolarHBondContact O-N 2.83Å; W257-S262 PolarHBondContact O-N 2.88Å; W257-N275 PolarHBondContact O-ND2 2.71Å; W257-F277 AromaticContact CH2-CD1 3.97Å; W257-F277 HydrophobicContact CH2-CD1 3.97Å; W257-F277 AromaticContact CH2-CE1 3.75Å; W257-F277 HydrophobicContact CH2-CE1 3.75Å; W257-F277 AromaticContact CZ3-CD1 3.97Å; W257-F277 HydrophobicContact CZ3-CD1 3.97Å; W257-F277 AromaticContact CZ3-CE1 3.95Å; W257-F277 HydrophobicContact CZ3-CE1 3.95Å; W257-E316 HydrophobicContact CH2-CG 4.5Å; W257-L350 HydrophobicContact CE3-CD1 3.91Å; W257-L350 HydrophobicContact CE3-CD2 4.41Å; W257-L350 HydrophobicContact CH2-CD1 4.16Å; W257-L350 HydrophobicContact CZ3-CD1 3.65Å; W257-L350 HydrophobicContact CZ3-CD2 4.01Å; W257-L350 HydrophobicContact CZ3-CG 4.48Å; W257-L354 HydrophobicContact CB-CD1 4.44Å; W257-L354 HydrophobicContact CB-CD2 3.99Å; W257-L354 HydrophobicContact CG-CD2 4.03Å |
| 258 | M | 98.8 | Very high | 97 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -30.9 | -179.9 | -63.8 | -47.7 | -63.7 | 0 | 0 | 113.9 | Y254 R255 F256 S262 V273 R384 | Y254-M258 HydrophobicContact CD1-CG 4.23Å; Y254-M258 HydrophobicContact CD2-CG 4.39Å; Y254-M258 HydrophobicContact CE1-CG 3.69Å; Y254-M258 HydrophobicContact CE2-CG 3.87Å; Y254-M258 HydrophobicContact CE2-SD 4.02Å; Y254-M258 VanDerWaalsContact CZ-CG 3.49Å; Y254-M258 WeakPolarHBondContact O-CG 3.47Å; Y254-M258 PolarHBondContact O-N 3.29Å; R255-M258 PolarHBondContact O-N 3.26Å; F256-M258 VanDerWaalsContact C-N 3.32Å; F256-M258 PolarHBondContact O-N 3.13Å; M258-S262 VanDerWaalsContact O-CB 3.27Å; M258-S262 WeakPolarHBondContact O-CB 2.98Å; M258-S262 PolarHBondContact O-OG 2.84Å; M258-V273 HydrophobicContact CE-CG1 4.2Å; M258-R384 PolarHBondContact SD-NH2 2.66Å |
| 259 | Q | 98.2 | Very high | 96.5 | Very high | 137 Ų | 137 | 49.8 Ų | 49.8 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -90.1 | -37.1 | -177.1 | -70.3 | 176 | -11.6 | 0 | 0 | 112.8 | R255 F256 W257 | R255-Q259 VanDerWaalsContact O-CB 3.29Å; R255-Q259 WeakPolarHBondContact O-CB 3Å; R255-Q259 VanDerWaalsContact O-CG 3.24Å; R255-Q259 WeakPolarHBondContact O-CG 3.24Å; R255-Q259 PolarHBondContact O-N 2.97Å; F256-Q259 PolarHBondContact O-N 2.97Å; W257-Q259 PolarHBondContact O-N 2.86Å |
| 260 | N | 97.9 | Very high | 96.2 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -110.1 | -12.4 | -168.2 | -60.5 | 81.1 | 0 | 0 | 0 | 113.6 | F256 | F256-N260 HydrophobicContact CD2-CB 4.02Å; F256-N260 HydrophobicContact CE2-CB 3.94Å; F256-N260 VanDerWaalsContact O-CB 3.29Å; F256-N260 WeakPolarHBondContact O-CB 3.3Å; F256-N260 PolarHBondContact O-N 2.99Å; F256-N260 PolarHBondContact O-OD1 3.42Å |
| 261 | R | 98.2 | Very high | 96.1 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -129.9 | 2.5 | -174.7 | -60.3 | -65.6 | -176.3 | -86.5 | 0.5 | 113.8 | R219 F256 W257 N275 R276 N278 E316 | R219-R261 PolarHBondContact O-NH2 3.47Å; F256-R261 HydrophobicContact CE1-CG 4.35Å; W257-R261 HydrophobicContact CD2-CG 4.42Å; W257-R261 HydrophobicContact CE3-CB 3.67Å; W257-R261 HydrophobicContact CE3-CG 3.64Å; W257-R261 HydrophobicContact CZ3-CB 4.14Å; W257-R261 HydrophobicContact CZ3-CG 3.84Å; W257-R261 CarbonylContact O-C 3.46Å; W257-R261 WeakPolarHBondContact O-CA 3.28Å; W257-R261 WeakPolarHBondContact O-CB 2.93Å; W257-R261 PolarHBondContact O-N 2.83Å; R261-N275 CarbonylContact O-C 3.47Å; R261-N275 WeakPolarHBondContact O-CA 3.21Å; R261-N275 WeakPolarHBondContact O-CB 3.38Å; R261-N275 PolarHBondContact O-ND2 2.81Å; R261-R276 WeakPolarHBondContact CB-O 3.32Å; R261-R276 PolarHBondContact O-N 2.73Å; R261-N278 WeakPolarHBondContact CD-O 3.36Å; R261-N278 PolarHBondContact NE-O 3.2Å; R261-N278 PolarHBondContact NH1-O 3.36Å; R261-N278 VanDerWaalsContact NH1-O 3.16Å; R261-N278 PolarHBondContact NH2-O 2.86Å; R261-E316 IonicContact CZ-OE1 3.09Å; R261-E316 IonicContact CZ-OE2 2.78Å; R261-E316 IonicContact NE-OE1 3.88Å; R261-E316 PolarHBondContact NE-OE1 2.83Å; R261-E316 IonicContact NE-OE2 3.23Å; R261-E316 PolarHBondContact NE-OE2 2.98Å; R261-E316 IonicContact NH2-OE1 3.15Å; R261-E316 PolarHBondContact NH2-OE1 3.43Å; R261-E316 IonicContact NH2-OE2 3.74Å |
| 262 | S | 98.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 155 | 178 | 77 | 0 | 0 | 0 | 0 | 112.5 | W257 M258 L274 | W257-S262 PolarHBondContact O-N 2.88Å; M258-S262 VanDerWaalsContact O-CB 3.27Å; M258-S262 WeakPolarHBondContact O-CB 2.98Å; M258-S262 PolarHBondContact O-OG 2.84Å; S262-L274 CarbonylContact C-O 3.58Å; S262-L274 VanDerWaalsContact CA-O 3.31Å; S262-L274 WeakPolarHBondContact CA-O 3.12Å |
| 263 | I | 98.4 | Very high | 96 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144.1 | 172.3 | -173.3 | 168.8 | 0 | 0 | 0 | 109.4 | V265 V273 L274 L346 L405 | I263-V265 HydrophobicContact CG1-CG2 4.5Å; I263-V265 HydrophobicContact CG2-CG2 4.18Å; I263-V273 WeakPolarHBondContact O-CA 3.37Å; I263-L274 PolarHBondContact N-O 3.42Å; I263-L274 PolarHBondContact O-N 2.94Å; I263-L346 HydrophobicContact CG2-CD2 3.61Å; I263-L405 HydrophobicContact CD1-CD1 4.14Å |
| 264 | T | 98 | Very high | 96 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.7 | 171.5 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | E271 H272 | T264-E271 HydrophobicContact CG2-CB 3.84Å; T264-E271 HydrophobicContact CG2-CG 4.05Å; T264-H272 CarbonylContact C-O 3.49Å; T264-H272 WeakPolarHBondContact CA-O 3.33Å |
| 265 | V | 96.9 | Very high | 96 | Very high | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | I263 H272 L346 L391 Y403 L405 | I263-V265 HydrophobicContact CG1-CG2 4.5Å; I263-V265 HydrophobicContact CG2-CG2 4.18Å; V265-H272 PolarHBondContact N-O 3.06Å; V265-H272 PolarHBondContact O-N 2.87Å; V265-L346 HydrophobicContact CG2-CD1 4.08Å; V265-L391 HydrophobicContact CB-CD1 4.16Å; V265-L391 HydrophobicContact CG1-CD1 4.38Å; V265-L391 HydrophobicContact CG1-CD2 3.89Å; V265-Y403 HydrophobicContact CG1-CE1 4.26Å; V265-L405 HydrophobicContact CG2-CD2 3.74Å |
| 266 | T | 94.4 | Very high | 96 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119.7 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | S270 | T266-S270 WeakPolarHBondContact CA-O 3.26Å |
| 267 | A | 88.3 | Confident | 96 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G269 S270 L391 | A267-G269 PolarHBondContact O-N 3.42Å; A267-S270 PolarHBondContact N-O 2.87Å; A267-S270 PolarHBondContact O-N 2.76Å; A267-L391 HydrophobicContact CB-CD2 3.52Å; A267-L391 HydrophobicContact CB-CG 4.02Å |
| 268 | T | 81.8 | Confident | 96 | Very high | 123 Ų | 123 | 53.6 Ų | 53.6 | 76% | 0.755 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 30.3 | 179.8 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | S270 | T268-S270 VanDerWaalsContact C-N 3.28Å; T268-S270 PolarHBondContact O-N 3.43Å |
| 269 | G | 87.8 | Confident | 95.9 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 78% | 0.784 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 7.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A267 | A267-G269 PolarHBondContact O-N 3.42Š|
| 270 | S | 92.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.3 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | T266 A267 T268 H272 | T266-S270 WeakPolarHBondContact CA-O 3.26Å; A267-S270 PolarHBondContact N-O 2.87Å; A267-S270 PolarHBondContact O-N 2.76Å; T268-S270 VanDerWaalsContact C-N 3.28Å; T268-S270 PolarHBondContact O-N 3.43Å; S270-H272 PolarHBondContact O-CD2 2.98Å |
| 271 | E | 96.8 | Very high | 95.5 | Very high | 150 Ų | 150 | 46.5 Ų | 46.5 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133 | 171.7 | -70.2 | -173 | 162.6 | 0 | 0 | 110.4 | T264 | T264-E271 HydrophobicContact CG2-CB 3.84Å; T264-E271 HydrophobicContact CG2-CG 4.05Å |
| 272 | H | 97.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.7 | 178.6 | -66.1 | -73.1 | 0 | 0 | 0 | 109.8 | T264 V265 S270 A387 L391 | T264-H272 CarbonylContact C-O 3.49Å; T264-H272 WeakPolarHBondContact CA-O 3.33Å; V265-H272 PolarHBondContact N-O 3.06Å; V265-H272 PolarHBondContact O-N 2.87Å; S270-H272 PolarHBondContact O-CD2 2.98Å; H272-A387 HydrophobicContact CB-CB 3.75Å; H272-L391 HydrophobicContact CB-CD1 3.85Å |
| 273 | V | 98.4 | Very high | 95 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 38% | 0.376 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.8 | 176 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | M258 I263 | M258-V273 HydrophobicContact CE-CG1 4.2Å; I263-V273 WeakPolarHBondContact O-CA 3.37Å |
| 274 | L | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 172.2 | 172.5 | -70.4 | -179.3 | 0 | 0 | 0 | 109.5 | S262 I263 L346 N351 R384 A387 M388 L391 L392 | S262-L274 CarbonylContact C-O 3.58Å; S262-L274 VanDerWaalsContact CA-O 3.31Å; S262-L274 WeakPolarHBondContact CA-O 3.12Å; I263-L274 PolarHBondContact N-O 3.42Å; I263-L274 PolarHBondContact O-N 2.94Å; L274-L346 HydrophobicContact CB-CD1 4.2Å; L274-L346 HydrophobicContact CB-CD2 4.48Å; L274-L346 HydrophobicContact CD1-CD1 3.97Å; L274-N351 WeakPolarHBondContact CB-OD1 3.46Å; L274-N351 HydrophobicContact CD2-CB 4.17Å; L274-N351 WeakPolarHBondContact CD2-OD1 3.45Å; L274-R384 HydrophobicContact CD2-CG 4.16Å; L274-A387 HydrophobicContact CD1-CB 4.45Å; L274-A387 HydrophobicContact CD2-CB 3.66Å; L274-A387 HydrophobicContact CG-CB 3.93Å; L274-M388 HydrophobicContact CD2-CG 3.94Å; L274-L391 HydrophobicContact CD1-CB 4.09Å; L274-L391 HydrophobicContact CD1-CD1 3.61Å; L274-L391 HydrophobicContact CD1-CG 4.49Å; L274-L391 HydrophobicContact CG-CD1 4.29Å; L274-L392 HydrophobicContact CD1-CD1 4.21Å; L274-L392 HydrophobicContact CD1-CD2 4.35Å; L274-L392 HydrophobicContact CD1-CG 4.19Å |
| 275 | N | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.6 | -178.4 | -65.5 | 76 | 0 | 0 | 0 | 112 | W257 R261 P347 L350 N351 L354 R384 | W257-N275 PolarHBondContact O-ND2 2.71Å; R261-N275 CarbonylContact O-C 3.47Å; R261-N275 WeakPolarHBondContact O-CA 3.21Å; R261-N275 WeakPolarHBondContact O-CB 3.38Å; R261-N275 PolarHBondContact O-ND2 2.81Å; N275-P347 WeakPolarHBondContact O-CD 3.41Å; N275-L350 HydrophobicContact CB-CD2 3.88Å; N275-L350 HydrophobicContact CB-CG 4.22Å; N275-N351 PolarHBondContact N-OD1 2.85Å; N275-N351 PolarHBondContact O-ND2 2.81Å; N275-L354 HydrophobicContact CB-CD1 3.51Å; N275-L354 WeakPolarHBondContact OD1-CD1 3.47Å; N275-R384 PolarHBondContact OD1-NH1 2.93Å; N275-R384 PolarHBondContact OD1-NH2 2.97Å |
| 276 | R | 98.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | trans | -136.2 | 153.3 | 174.6 | 65.1 | -172.3 | -167.3 | 172.5 | -6.4 | 110 | R261 N278 S343 I345 L346 | R261-R276 WeakPolarHBondContact CB-O 3.32Å; R261-R276 PolarHBondContact O-N 2.73Å; R276-N278 HydrophobicContact CG-CB 4.33Å; R276-S343 WeakPolarHBondContact CD-O 3.32Å; R276-S343 VanDerWaalsContact CZ-O 3.22Å; R276-S343 PolarHBondContact NE-O 3.1Å; R276-S343 PolarHBondContact NH1-O 3.36Å; R276-I345 VanDerWaalsContact CB-O 3.3Å; R276-I345 WeakPolarHBondContact CB-O 3.48Å; R276-L346 HydrophobicContact CB-CD2 4.2Å | ||
| 277 | F | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | trans | -71.7 | 130.3 | 167.2 | -60.1 | -67.7 | 0 | 0 | 0 | 108.7 | P223 W257 A313 E316 T342 S343 P347 L350 | P223-F277 HydrophobicContact CG-CZ 4.34Å; W257-F277 AromaticContact CH2-CD1 3.97Å; W257-F277 HydrophobicContact CH2-CD1 3.97Å; W257-F277 AromaticContact CH2-CE1 3.75Å; W257-F277 HydrophobicContact CH2-CE1 3.75Å; W257-F277 AromaticContact CZ3-CD1 3.97Å; W257-F277 HydrophobicContact CZ3-CD1 3.97Å; W257-F277 AromaticContact CZ3-CE1 3.95Å; W257-F277 HydrophobicContact CZ3-CE1 3.95Å; F277-A313 HydrophobicContact CB-CB 4.2Å; F277-A313 WeakPolarHBondContact CB-O 3.48Å; F277-E316 HydrophobicContact CB-CB 4.41Å; F277-E316 HydrophobicContact CD1-CB 4.19Å; F277-E316 HydrophobicContact CD1-CG 3.81Å; F277-E316 WeakPolarHBondContact CE1-O 3.42Å; F277-T342 HydrophobicContact CB-CG2 4.3Å; F277-S343 WeakPolarHBondContact O-CA 3.23Å; F277-P347 HydrophobicContact CD2-CG 3.75Å; F277-P347 HydrophobicContact CE2-CB 4.2Å; F277-P347 HydrophobicContact CE2-CG 3.89Å; F277-L350 HydrophobicContact CD1-CD2 4.09Å; F277-L350 HydrophobicContact CD2-CD2 4.28Å; F277-L350 HydrophobicContact CE1-CD1 3.89Å; F277-L350 HydrophobicContact CE1-CD2 3.93Å; F277-L350 HydrophobicContact CE1-CG 4.33Å; F277-L350 HydrophobicContact CE2-CB 3.93Å; F277-L350 HydrophobicContact CE2-CD2 4.1Å; F277-L350 HydrophobicContact CE2-CG 4.48Å; F277-L350 HydrophobicContact CG-CD2 4.28Å; F277-L350 HydrophobicContact CZ-CB 3.78Å; F277-L350 HydrophobicContact CZ-CD1 3.91Å; F277-L350 HydrophobicContact CZ-CD2 3.93Å; F277-L350 HydrophobicContact CZ-CG 4.07Å | ||
| 278 | N | 97.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | trans | -158.3 | 113 | -175 | -178.1 | 47.8 | 0 | 0 | 0 | 110.4 | R261 R276 E316 | R261-N278 WeakPolarHBondContact CD-O 3.36Å; R261-N278 PolarHBondContact NE-O 3.2Å; R261-N278 PolarHBondContact NH1-O 3.36Å; R261-N278 VanDerWaalsContact NH1-O 3.16Å; R261-N278 PolarHBondContact NH2-O 2.86Å; R276-N278 HydrophobicContact CG-CB 4.33Å; N278-E316 PolarHBondContact N-OE2 2.9Å; N278-E316 VanDerWaalsContact N-OE2 3.14Å | ||
| 279 | V | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -118 | 112.9 | -175.3 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | R219 R220 A281 M309 K312 A313 E316 | R219-V279 HydrophobicContact CB-CG1 4.21Å; R220-V279 HydrophobicContact CB-CB 4.49Å; R220-V279 HydrophobicContact CB-CG1 4.08Å; R220-V279 HydrophobicContact CB-CG2 3.56Å; V279-A281 VanDerWaalsContact C-N 3.3Å; V279-A281 HydrophobicContact CG1-CB 4.34Å; V279-A281 PolarHBondContact O-N 2.89Å; V279-M309 WeakPolarHBondContact O-CB 3.23Å; V279-M309 VanDerWaalsContact O-CG 3.31Å; V279-M309 WeakPolarHBondContact O-CG 3.3Å; V279-K312 HydrophobicContact CB-CB 3.73Å; V279-K312 HydrophobicContact CG1-CB 3.75Å; V279-K312 HydrophobicContact CG1-CD 3.91Å; V279-K312 HydrophobicContact CG1-CG 4.47Å; V279-K312 HydrophobicContact CG2-CB 4.1Å; V279-A313 HydrophobicContact CG2-CB 4.43Å; V279-E316 HydrophobicContact CG2-CB 3.98Å; V279-E316 HydrophobicContact CG2-CG 4.38Å | ||
| 280 | E | 94 | Very high | 96.8 | Very high | 117 Ų | 117 | 29.2 Ų | 29.2 | 55% | 0.547 | 15% | 0.15 | S | C | . | . | trans | -84.8 | 68.1 | -178.4 | -66.1 | -175.2 | 159.9 | 0 | 0 | 111.1 | L22 P23 | L22-E280 HydrophobicContact CD2-CB 4.1Å; P23-E280 WeakPolarHBondContact CD-O 3.43Å; P23-E280 WeakPolarHBondContact CG-O 3.23Å | ||
| 281 | A | 94.5 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -145.7 | 120.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P23 R219 V279 K312 | P23-A281 WeakPolarHBondContact O-CA 3.33Å; R219-A281 HydrophobicContact CB-CB 4.48Å; V279-A281 VanDerWaalsContact C-N 3.3Å; V279-A281 HydrophobicContact CG1-CB 4.34Å; V279-A281 PolarHBondContact O-N 2.89Å; A281-K312 HydrophobicContact CB-CD 4Å; A281-K312 WeakPolarHBondContact O-CE 3.1Å; A281-K312 PolarHBondContact O-NZ 3.16Å | ||
| 282 | D | 90.6 | Very high | 97 | Very high | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | trans | -107.8 | 18.3 | -162.7 | 75 | -27.6 | 0 | 0 | 0 | 114.9 | L22 Q305 Y308 | L22-D282 HydrophobicContact CB-CB 4.01Å; L22-D282 HydrophobicContact CD1-CB 3.79Å; D282-Q305 HydrophobicContact CB-CB 4.09Å; D282-Q305 HydrophobicContact CB-CG 3.95Å; D282-Q305 PolarHBondContact OD2-NE2 3.37Å; D282-Y308 VanDerWaalsContact O-CD2 3.23Å; D282-Y308 WeakPolarHBondContact O-CD2 3.34Å | ||
| 283 | L | 95.7 | Very high | 97 | Very high | 60 Ų | 60 | 23.6 Ų | 23.6 | 31% | 0.314 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -104.6 | 158.5 | 168.7 | -58.6 | -179.2 | 0 | 0 | 0 | 110.4 | P24 P25 K312 | P24-L283 HydrophobicContact CB-CD1 3.87Å; P25-L283 HydrophobicContact CG-CB 4.31Å; L283-K312 WeakPolarHBondContact O-CE 3.47Å; L283-K312 PolarHBondContact O-NZ 3.47Å |
| 284 | P | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | trans | -50 | 151.7 | 173.8 | -27 | 34.5 | 0 | 0 | 0 | 113.5 | P286 Y289 D292 L293 Y308 | P284-P286 WeakPolarHBondContact O-CD 3.49Å; P284-Y289 HydrophobicContact CB-CD2 3.67Å; P284-Y289 HydrophobicContact CB-CE2 3.92Å; P284-Y289 HydrophobicContact CB-CG 4.25Å; P284-Y289 HydrophobicContact CG-CD2 4.23Å; P284-Y289 HydrophobicContact CG-CE2 3.98Å; P284-D292 HydrophobicContact CB-CB 3.78Å; P284-L293 HydrophobicContact CG-CD2 3.62Å; P284-L293 HydrophobicContact CG-CG 3.99Å; P284-Y308 HydrophobicContact CG-CE1 4.09Å; P284-Y308 HydrophobicContact CG-CE2 4Å | ||
| 285 | R | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | trans | -60 | 122.2 | 167.7 | -73.2 | 177.5 | -65 | 154.7 | 1.5 | 109 | E287 S288 Y289 D292 K312 E530 | R285-E287 PolarHBondContact O-N 3Å; R285-S288 PolarHBondContact NH1-OG 3.26Å; R285-S288 CarbonylContact O-C 3.51Å; R285-S288 VanDerWaalsContact O-C 3.25Å; R285-S288 PolarHBondContact O-N 3.19Å; R285-S288 VanDerWaalsContact O-N 3.16Å; R285-Y289 WeakPolarHBondContact O-CA 3.49Å; R285-Y289 PolarHBondContact O-N 3.49Å; R285-D292 WeakPolarHBondContact CB-OD2 3.43Å; R285-D292 WeakPolarHBondContact CG-OD2 3.47Å; R285-D292 IonicContact CZ-OD1 3.85Å; R285-D292 VanDerWaalsContact CZ-OD1 3.29Å; R285-D292 PolarHBondContact N-OD2 3.16Å; R285-D292 IonicContact NE-OD1 2.73Å; R285-D292 PolarHBondContact NE-OD1 3.31Å; R285-D292 VanDerWaalsContact NE-OD1 3.08Å; R285-D292 IonicContact NE-OD2 2.81Å; R285-D292 PolarHBondContact NE-OD2 3.28Å; R285-D292 IonicContact NH2-OD1 3.16Å; R285-D292 PolarHBondContact NH2-OD1 3.24Å; R285-K312 HydrophobicContact CG-CG 3.73Å; R285-E530 IonicContact CZ-OE1 2.61Å; R285-E530 IonicContact CZ-OE2 3.43Å; R285-E530 IonicContact NH1-OE2 3.49Å; R285-E530 PolarHBondContact NH1-OE2 2.82Å; R285-E530 VanDerWaalsContact NH2-CD 3.32Å; R285-E530 IonicContact NH2-OE1 2.84Å; R285-E530 PolarHBondContact NH2-OE1 2.89Å; R285-E530 IonicContact NH2-OE2 3.33Å; R285-E530 PolarHBondContact NH2-OE2 3.09Å | ||
| 286 | P | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -61.2 | -29.6 | -178.4 | -26.3 | 36.9 | 0 | 0 | 0 | 114 | P25 Y31 C32 L37 Q41 V53 P284 | P25-P286 HydrophobicContact CB-CG 4.07Å; P25-P286 HydrophobicContact CG-CG 4.18Å; Y31-P286 WeakPolarHBondContact O-CB 3.44Å; C32-P286 HydrophobicContact CB-CG 4.35Å; L37-P286 HydrophobicContact CD1-CB 4.47Å; L37-P286 HydrophobicContact CD2-CB 4.17Å; L37-P286 HydrophobicContact CD2-CG 4.47Å; Q41-P286 PolarHBondContact NE2-O 2.86Å; V53-P286 HydrophobicContact CG1-CB 3.9Å; V53-P286 WeakPolarHBondContact CG1-O 3.46Å; P284-P286 WeakPolarHBondContact O-CD 3.49Å |
| 287 | E | 97.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -84.1 | -5.5 | 179.9 | 79.4 | -73.8 | -176.4 | 0 | 0 | 115.3 | D49 K50 V53 Y216 R220 R285 | D49-E287 WeakPolarHBondContact CB-O 3.43Å; K50-E287 HydrophobicContact CB-CB 4.21Å; K50-E287 HydrophobicContact CG-CB 4.23Å; K50-E287 PolarHBondContact N-O 3.25Å; V53-E287 HydrophobicContact CG2-CB 4.16Å; Y216-E287 HydrophobicContact CD2-CB 4.43Å; Y216-E287 HydrophobicContact CE2-CB 4.01Å; Y216-E287 HydrophobicContact CE2-CG 4.41Å; R220-E287 IonicContact CZ-OE1 3.37Å; R220-E287 IonicContact NH2-OE1 3.81Å; R220-E287 PolarHBondContact NH2-OE1 2.79Å; R220-E287 IonicContact NH2-OE2 3.63Å; R220-E287 PolarHBondContact NH2-OE2 3.44Å; R285-E287 PolarHBondContact O-N 3Å |
| 288 | S | 97.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -143.6 | 42.5 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | R285 D292 E530 | R285-S288 PolarHBondContact NH1-OG 3.26Å; R285-S288 CarbonylContact O-C 3.51Å; R285-S288 VanDerWaalsContact O-C 3.25Å; R285-S288 PolarHBondContact O-N 3.19Å; R285-S288 VanDerWaalsContact O-N 3.16Å; S288-D292 WeakPolarHBondContact O-CB 3.5Å; S288-D292 PolarHBondContact O-N 2.75Å; S288-E530 PolarHBondContact OG-OE2 2.84Å |
| 289 | Y | 97.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -47.3 | -163.7 | -174 | -90.1 | 0 | 0 | 0 | 112.6 | L37 H38 Q41 D49 P284 R285 L293 | L37-Y289 HydrophobicContact CD2-CD2 3.88Å; L37-Y289 HydrophobicContact CD2-CE2 3.85Å; L37-Y289 HydrophobicContact CG-CD2 4.1Å; L37-Y289 HydrophobicContact CG-CE2 4.13Å; H38-Y289 AromaticContact ND1-CE1 3.95Å; H38-Y289 PolarHBondContact ND1-OH 2.87Å; Q41-Y289 HydrophobicContact CB-CD1 3.47Å; Q41-Y289 VanDerWaalsContact CB-CD1 3.47Å; Q41-Y289 HydrophobicContact CB-CE1 4.23Å; Q41-Y289 HydrophobicContact CB-CG 3.99Å; Q41-Y289 HydrophobicContact CG-CD1 3.89Å; Q41-Y289 HydrophobicContact CG-CG 3.9Å; D49-Y289 PolarHBondContact OD2-N 3.32Å; P284-Y289 HydrophobicContact CB-CD2 3.67Å; P284-Y289 HydrophobicContact CB-CE2 3.92Å; P284-Y289 HydrophobicContact CB-CG 4.25Å; P284-Y289 HydrophobicContact CG-CD2 4.23Å; P284-Y289 HydrophobicContact CG-CE2 3.98Å; R285-Y289 WeakPolarHBondContact O-CA 3.49Å; R285-Y289 PolarHBondContact O-N 3.49Å; Y289-L293 HydrophobicContact CD1-CD1 3.73Å; Y289-L293 HydrophobicContact CD1-CG 4.26Å; Y289-L293 HydrophobicContact CE1-CD1 3.28Å; Y289-L293 HydrophobicContact CE1-CG 4.04Å; Y289-L293 WeakPolarHBondContact O-CG 3.46Å; Y289-L293 PolarHBondContact O-N 3.39Å |
| 290 | T | 96.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | Q41 K44 D49 D292 L293 E294 | Q41-T290 VanDerWaalsContact C-CG2 3.48Å; Q41-T290 HydrophobicContact CB-CG2 3.95Å; Q41-T290 WeakPolarHBondContact O-CG2 3.46Å; K44-T290 HydrophobicContact CG-CG2 4.39Å; D49-T290 PolarHBondContact OD1-OG1 2.9Å; D49-T290 WeakPolarHBondContact OD2-CB 3.45Å; D49-T290 PolarHBondContact OD2-N 2.92Å; D49-T290 PolarHBondContact OD2-OG1 3.39Å; T290-D292 VanDerWaalsContact C-N 3.34Å; T290-D292 PolarHBondContact O-N 3.32Å; T290-L293 PolarHBondContact O-N 3.07Å; T290-E294 WeakPolarHBondContact O-CB 3.35Å; T290-E294 VanDerWaalsContact O-CG 3.3Å; T290-E294 WeakPolarHBondContact O-CG 3.27Å; T290-E294 PolarHBondContact O-N 3.37Å |
| 291 | D | 95.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 175.9 | -64.8 | -35.4 | 0 | 0 | 0 | 111.3 | L295 | D291-L295 VanDerWaalsContact O-CB 3.23Å; D291-L295 WeakPolarHBondContact O-CB 3.38Å; D291-L295 PolarHBondContact O-N 3.48Å |
| 292 | D | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177 | -82.9 | 12.6 | 0 | 0 | 0 | 111.6 | P284 R285 S288 T290 A296 Y308 L311 | P284-D292 HydrophobicContact CB-CB 3.78Å; R285-D292 WeakPolarHBondContact CB-OD2 3.43Å; R285-D292 WeakPolarHBondContact CG-OD2 3.47Å; R285-D292 IonicContact CZ-OD1 3.85Å; R285-D292 VanDerWaalsContact CZ-OD1 3.29Å; R285-D292 PolarHBondContact N-OD2 3.16Å; R285-D292 IonicContact NE-OD1 2.73Å; R285-D292 PolarHBondContact NE-OD1 3.31Å; R285-D292 VanDerWaalsContact NE-OD1 3.08Å; R285-D292 IonicContact NE-OD2 2.81Å; R285-D292 PolarHBondContact NE-OD2 3.28Å; R285-D292 IonicContact NH2-OD1 3.16Å; R285-D292 PolarHBondContact NH2-OD1 3.24Å; S288-D292 WeakPolarHBondContact O-CB 3.5Å; S288-D292 PolarHBondContact O-N 2.75Å; T290-D292 VanDerWaalsContact C-N 3.34Å; T290-D292 PolarHBondContact O-N 3.32Å; D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 2.81Å; D292-A296 VanDerWaalsContact O-N 3.09Å; D292-Y308 HydrophobicContact CB-CD1 4.28Å; D292-Y308 HydrophobicContact CB-CE1 4.03Å; D292-Y308 WeakPolarHBondContact O-CE1 3.32Å; D292-L311 HydrophobicContact CB-CD1 4.49Å; D292-L311 WeakPolarHBondContact OD1-CD1 3.38Å |
| 293 | L | 96.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 178.3 | -78.5 | -176 | 0 | 0 | 0 | 112.1 | E42 P284 Y289 T290 A296 E297 Y308 | E42-L293 HydrophobicContact CG-CD1 4.4Å; P284-L293 HydrophobicContact CG-CD2 3.62Å; P284-L293 HydrophobicContact CG-CG 3.99Å; Y289-L293 HydrophobicContact CD1-CD1 3.73Å; Y289-L293 HydrophobicContact CD1-CG 4.26Å; Y289-L293 HydrophobicContact CE1-CD1 3.28Å; Y289-L293 HydrophobicContact CE1-CG 4.04Å; Y289-L293 WeakPolarHBondContact O-CG 3.46Å; Y289-L293 PolarHBondContact O-N 3.39Å; T290-L293 PolarHBondContact O-N 3.07Å; L293-A296 PolarHBondContact O-N 2.67Å; L293-E297 PolarHBondContact O-N 3.22Å; L293-Y308 WeakPolarHBondContact CD2-OH 3.31Å |
| 294 | E | 97.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | -179.8 | -72.6 | 176.8 | -175.3 | 0 | 0 | 110.8 | K44 T290 A296 E297 | K44-E294 WeakPolarHBondContact CE-OE1 3.44Å; K44-E294 IonicContact NZ-OE1 3.93Å; K44-E294 PolarHBondContact NZ-OE1 3.43Å; K44-E294 IonicContact NZ-OE2 2.85Å; T290-E294 WeakPolarHBondContact O-CB 3.35Å; T290-E294 VanDerWaalsContact O-CG 3.3Å; T290-E294 WeakPolarHBondContact O-CG 3.27Å; T290-E294 PolarHBondContact O-N 3.37Å; E294-A296 PolarHBondContact O-N 3.44Å; E294-E297 WeakPolarHBondContact O-CB 3.29Å; E294-E297 PolarHBondContact O-N 3.35Å; E294-E297 VanDerWaalsContact O-N 3.17Å |
| 295 | L | 97.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -35.5 | 177 | -172.5 | 68.4 | 0 | 0 | 0 | 112.3 | D291 E297 L307 L311 L337 R338 | D291-L295 VanDerWaalsContact O-CB 3.23Å; D291-L295 WeakPolarHBondContact O-CB 3.38Å; D291-L295 PolarHBondContact O-N 3.48Å; L295-E297 VanDerWaalsContact C-N 3.35Å; L295-L307 HydrophobicContact CD2-CD1 4.29Å; L295-L307 HydrophobicContact CD2-CD2 4.13Å; L295-L307 HydrophobicContact CG-CD2 4.09Å; L295-L311 HydrophobicContact CD2-CD1 4.05Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; L295-L337 HydrophobicContact CD1-CB 4.41Å; L295-L337 HydrophobicContact CD1-CD2 4.5Å; L295-L337 HydrophobicContact CD1-CG 4.38Å; L295-L337 HydrophobicContact CD2-CB 4.48Å; L295-L337 HydrophobicContact CD2-CD2 3.99Å; L295-L337 HydrophobicContact CD2-CG 3.69Å; L295-R338 HydrophobicContact CD1-CB 3.86Å; L295-R338 HydrophobicContact CD1-CG 4.49Å; L295-R338 HydrophobicContact CG-CB 4.32Å; L295-R338 PolarHBondContact O-NH1 2.83Å |
| 296 | A | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | D292 L293 E294 G298 L299 R304 L307 Y308 | D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 2.81Å; D292-A296 VanDerWaalsContact O-N 3.09Å; L293-A296 PolarHBondContact O-N 2.67Å; E294-A296 PolarHBondContact O-N 3.44Å; A296-G298 PolarHBondContact O-N 2.76Å; A296-L299 HydrophobicContact CB-CD1 4.39Å; A296-L299 WeakPolarHBondContact O-CB 3.5Å; A296-L299 WeakPolarHBondContact O-CG 3.25Å; A296-L299 PolarHBondContact O-N 3.08Å; A296-L299 VanDerWaalsContact O-N 3.1Å; A296-R304 HydrophobicContact CB-CG 3.86Å; A296-L307 HydrophobicContact CB-CD2 4.1Å; A296-Y308 HydrophobicContact CB-CE1 3.68Å; A296-Y308 WeakPolarHBondContact CB-OH 3.42Å |
| 297 | E | 96.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.3 | -175.4 | -168 | 179.6 | -176.2 | 0 | 0 | 111.6 | L293 E294 L295 L299 R338 | L293-E297 PolarHBondContact O-N 3.22Å; E294-E297 WeakPolarHBondContact O-CB 3.29Å; E294-E297 PolarHBondContact O-N 3.35Å; E294-E297 VanDerWaalsContact O-N 3.17Å; L295-E297 VanDerWaalsContact C-N 3.35Å; E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 3.39Å; E297-R338 VanDerWaalsContact O-CZ 3.24Å; E297-R338 PolarHBondContact O-NH1 3.41Å; E297-R338 PolarHBondContact O-NH2 3.15Å |
| 298 | G | 96.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 79% | 0.794 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 2.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A296 | A296-G298 PolarHBondContact O-N 2.76Š|
| 299 | L | 96.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | trans | -76 | 153.5 | 168.7 | -65.9 | -179.1 | 0 | 0 | 0 | 111.6 | A296 E297 L303 R304 L307 | A296-L299 HydrophobicContact CB-CD1 4.39Å; A296-L299 WeakPolarHBondContact O-CB 3.5Å; A296-L299 WeakPolarHBondContact O-CG 3.25Å; A296-L299 PolarHBondContact O-N 3.08Å; A296-L299 VanDerWaalsContact O-N 3.1Å; E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 3.39Å; L299-L303 HydrophobicContact CB-CB 4.14Å; L299-L303 HydrophobicContact CD1-CB 4.41Å; L299-L303 HydrophobicContact CD2-CB 4.25Å; L299-L303 HydrophobicContact CD2-CD1 4.33Å; L299-R304 HydrophobicContact CB-CB 4.18Å; L299-L307 HydrophobicContact CD1-CB 4.36Å; L299-L307 HydrophobicContact CD1-CD2 3.67Å | ||
| 300 | S | 96 | Very high | 96.5 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | trans | -66.2 | 160.5 | 165.8 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | E302 L303 R304 | S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 PolarHBondContact O-N 3.38Å; S300-E302 PolarHBondContact OG-OE2 3.32Å; S300-L303 PolarHBondContact O-N 3.43Å; S300-L303 PolarHBondContact OG-N 2.83Å; S300-R304 VanDerWaalsContact O-CB 3.29Å; S300-R304 WeakPolarHBondContact O-CB 3.07Å; S300-R304 PolarHBondContact O-N 3.44Å | ||
| 301 | D | 94.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.5 | -43.1 | 179.2 | -70.1 | -12.6 | 0 | 0 | 0 | 111.8 | R304 Q305 | D301-R304 PolarHBondContact O-N 3.25Å; D301-R304 IonicContact OD1-CZ 2.97Å; D301-R304 IonicContact OD1-NH1 3.04Å; D301-R304 PolarHBondContact OD1-NH1 3.23Å; D301-R304 IonicContact OD1-NH2 3.88Å; D301-R304 PolarHBondContact OD1-NH2 2.91Å; D301-Q305 WeakPolarHBondContact O-CB 3.36Å; D301-Q305 VanDerWaalsContact O-CG 3.27Å; D301-Q305 WeakPolarHBondContact O-CG 3.26Å; D301-Q305 PolarHBondContact O-N 3.11Å |
| 302 | E | 93.9 | Very high | 96.7 | Very high | 106 Ų | 106 | 48.9 Ų | 48.9 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 179.2 | -64.2 | 74.8 | -161.4 | 0 | 0 | 112.6 | K19 S300 R304 Q306 | K19-E302 IonicContact NZ-OE1 3.92Å; S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 PolarHBondContact O-N 3.38Å; S300-E302 PolarHBondContact OG-OE2 3.32Å; E302-R304 VanDerWaalsContact C-N 3.34Å; E302-Q306 WeakPolarHBondContact O-CB 3.22Å; E302-Q306 PolarHBondContact O-N 3.01Å |
| 303 | L | 94.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 179.4 | -71.1 | 176.8 | 0 | 0 | 0 | 111.6 | L299 S300 L307 | L299-L303 HydrophobicContact CB-CB 4.14Å; L299-L303 HydrophobicContact CD1-CB 4.41Å; L299-L303 HydrophobicContact CD2-CB 4.25Å; L299-L303 HydrophobicContact CD2-CD1 4.33Å; S300-L303 PolarHBondContact O-N 3.43Å; S300-L303 PolarHBondContact OG-N 2.83Å; L303-L307 VanDerWaalsContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CB 3.2Å; L303-L307 PolarHBondContact O-N 3.44Å |
| 304 | R | 96.4 | Very high | 96.8 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 33% | 0.328 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 175.3 | 176.2 | 171.1 | 76.8 | -140.8 | -7 | 111.5 | A296 L299 S300 D301 E302 Q306 L307 Y308 | A296-R304 HydrophobicContact CB-CG 3.86Å; L299-R304 HydrophobicContact CB-CB 4.18Å; S300-R304 VanDerWaalsContact O-CB 3.29Å; S300-R304 WeakPolarHBondContact O-CB 3.07Å; S300-R304 PolarHBondContact O-N 3.44Å; D301-R304 PolarHBondContact O-N 3.25Å; D301-R304 IonicContact OD1-CZ 2.97Å; D301-R304 IonicContact OD1-NH1 3.04Å; D301-R304 PolarHBondContact OD1-NH1 3.23Å; D301-R304 IonicContact OD1-NH2 3.88Å; D301-R304 PolarHBondContact OD1-NH2 2.91Å; E302-R304 VanDerWaalsContact C-N 3.34Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-Q306 PolarHBondContact O-N 3.4Å; R304-L307 PolarHBondContact O-N 3.27Å; R304-Y308 WeakPolarHBondContact CD-OH 3.4Å; R304-Y308 HydrophobicContact CG-CD2 3.92Å; R304-Y308 HydrophobicContact CG-CE1 4.3Å; R304-Y308 HydrophobicContact CG-CE2 3.27Å; R304-Y308 VanDerWaalsContact CG-CZ 3.47Å; R304-Y308 WeakPolarHBondContact O-CD2 3.4Å; R304-Y308 PolarHBondContact O-N 3.24Å |
| 305 | Q | 95.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 176 | -74.3 | 179.9 | -28.5 | 0 | 0 | 111.4 | D282 D301 Y308 M309 | D282-Q305 HydrophobicContact CB-CB 4.09Å; D282-Q305 HydrophobicContact CB-CG 3.95Å; D282-Q305 PolarHBondContact OD2-NE2 3.37Å; D301-Q305 WeakPolarHBondContact O-CB 3.36Å; D301-Q305 VanDerWaalsContact O-CG 3.27Å; D301-Q305 WeakPolarHBondContact O-CG 3.26Å; D301-Q305 PolarHBondContact O-N 3.11Å; Q305-Y308 PolarHBondContact O-N 2.74Å; Q305-M309 WeakPolarHBondContact O-CG 3.47Å; Q305-M309 PolarHBondContact O-N 2.79Å; Q305-M309 VanDerWaalsContact O-N 3.1Å |
| 306 | Q | 96.2 | Very high | 97 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 177 | -173.7 | 59.4 | 56 | 0 | 0 | 111.8 | E302 R304 Y308 M309 D310 S343 | E302-Q306 WeakPolarHBondContact O-CB 3.22Å; E302-Q306 PolarHBondContact O-N 3.01Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-Q306 PolarHBondContact O-N 3.4Å; Q306-Y308 PolarHBondContact O-N 3.15Å; Q306-M309 PolarHBondContact O-N 3.29Å; Q306-D310 PolarHBondContact NE2-OD2 2.94Å; Q306-D310 WeakPolarHBondContact O-CB 3.22Å; Q306-D310 PolarHBondContact O-N 2.93Å; Q306-S343 PolarHBondContact NE2-OG 3.23Å |
| 307 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.6 | -47.4 | 176.5 | 177.5 | 61.6 | 0 | 0 | 0 | 111.2 | L295 A296 L299 L303 R304 M309 D310 L311 | L295-L307 HydrophobicContact CD2-CD1 4.29Å; L295-L307 HydrophobicContact CD2-CD2 4.13Å; L295-L307 HydrophobicContact CG-CD2 4.09Å; A296-L307 HydrophobicContact CB-CD2 4.1Å; L299-L307 HydrophobicContact CD1-CB 4.36Å; L299-L307 HydrophobicContact CD1-CD2 3.67Å; L303-L307 VanDerWaalsContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CB 3.2Å; L303-L307 PolarHBondContact O-N 3.44Å; R304-L307 PolarHBondContact O-N 3.27Å; L307-M309 VanDerWaalsContact C-N 3.33Å; L307-M309 PolarHBondContact O-N 3.47Å; L307-D310 PolarHBondContact O-N 3.22Å; L307-D310 VanDerWaalsContact O-N 3.15Å; L307-L311 HydrophobicContact CD1-CD1 4.03Å; L307-L311 HydrophobicContact CD1-CD2 4.29Å; L307-L311 HydrophobicContact CD1-CG 3.94Å; L307-L311 HydrophobicContact CG-CD1 3.84Å; L307-L311 HydrophobicContact CG-CG 4.23Å; L307-L311 VanDerWaalsContact O-CG 3.26Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3.49Å |
| 308 | Y | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 179.2 | -64.6 | -30.3 | 0 | 0 | 0 | 113.7 | D282 P284 D292 L293 A296 R304 Q305 Q306 L311 K312 | D282-Y308 VanDerWaalsContact O-CD2 3.23Å; D282-Y308 WeakPolarHBondContact O-CD2 3.34Å; P284-Y308 HydrophobicContact CG-CE1 4.09Å; P284-Y308 HydrophobicContact CG-CE2 4Å; D292-Y308 HydrophobicContact CB-CD1 4.28Å; D292-Y308 HydrophobicContact CB-CE1 4.03Å; D292-Y308 WeakPolarHBondContact O-CE1 3.32Å; L293-Y308 WeakPolarHBondContact CD2-OH 3.31Å; A296-Y308 HydrophobicContact CB-CE1 3.68Å; A296-Y308 WeakPolarHBondContact CB-OH 3.42Å; R304-Y308 WeakPolarHBondContact CD-OH 3.4Å; R304-Y308 HydrophobicContact CG-CD2 3.92Å; R304-Y308 HydrophobicContact CG-CE1 4.3Å; R304-Y308 HydrophobicContact CG-CE2 3.27Å; R304-Y308 VanDerWaalsContact CG-CZ 3.47Å; R304-Y308 WeakPolarHBondContact O-CD2 3.4Å; R304-Y308 PolarHBondContact O-N 3.24Å; Q305-Y308 PolarHBondContact O-N 2.74Å; Q306-Y308 PolarHBondContact O-N 3.15Å; Y308-L311 HydrophobicContact CD1-CD1 4.4Å; Y308-K312 PolarHBondContact O-N 2.93Å; Y308-K312 PolarHBondContact O-NZ 3.21Å |
| 309 | M | 98.1 | Very high | 97.2 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.5 | -70.4 | -170.8 | -68.5 | 0 | 0 | 111.3 | L22 V279 Q305 Q306 L307 K312 A313 | L22-M309 HydrophobicContact CD1-CE 4.18Å; L22-M309 HydrophobicContact CD1-CG 4.42Å; L22-M309 HydrophobicContact CD1-SD 3.42Å; L22-M309 WeakPolarHBondContact CD1-SD 3.15Å; V279-M309 WeakPolarHBondContact O-CB 3.23Å; V279-M309 VanDerWaalsContact O-CG 3.31Å; V279-M309 WeakPolarHBondContact O-CG 3.3Å; Q305-M309 WeakPolarHBondContact O-CG 3.47Å; Q305-M309 PolarHBondContact O-N 2.79Å; Q305-M309 VanDerWaalsContact O-N 3.1Å; Q306-M309 PolarHBondContact O-N 3.29Å; L307-M309 VanDerWaalsContact C-N 3.33Å; L307-M309 PolarHBondContact O-N 3.47Å; M309-K312 PolarHBondContact O-N 3.49Å; M309-A313 WeakPolarHBondContact O-CB 3.36Å; M309-A313 PolarHBondContact O-N 2.99Å |
| 310 | D | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.5 | -33.3 | -178.7 | -80.6 | -43 | 0 | 0 | 0 | 113.4 | Q306 L307 A313 G314 T340 T342 S343 | Q306-D310 PolarHBondContact NE2-OD2 2.94Å; Q306-D310 WeakPolarHBondContact O-CB 3.22Å; Q306-D310 PolarHBondContact O-N 2.93Å; L307-D310 PolarHBondContact O-N 3.22Å; L307-D310 VanDerWaalsContact O-N 3.15Å; D310-A313 PolarHBondContact O-N 3.36Å; D310-G314 PolarHBondContact O-N 3.48Å; D310-T340 HydrophobicContact CB-CG2 4.08Å; D310-T340 WeakPolarHBondContact CB-O 3.31Å; D310-T342 PolarHBondContact O-OG1 3.3Å; D310-T342 PolarHBondContact OD1-N 2.86Å; D310-S343 WeakPolarHBondContact OD1-CB 3.39Å; D310-S343 PolarHBondContact OD1-N 3.18Å; D310-S343 PolarHBondContact OD1-OG 3.36Å |
| 311 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 171.4 | -69.1 | 168.5 | 0 | 0 | 0 | 110.9 | D292 L295 L307 Y308 G314 A315 F321 L337 | D292-L311 HydrophobicContact CB-CD1 4.49Å; D292-L311 WeakPolarHBondContact OD1-CD1 3.38Å; L295-L311 HydrophobicContact CD2-CD1 4.05Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; L307-L311 HydrophobicContact CD1-CD1 4.03Å; L307-L311 HydrophobicContact CD1-CD2 4.29Å; L307-L311 HydrophobicContact CD1-CG 3.94Å; L307-L311 HydrophobicContact CG-CD1 3.84Å; L307-L311 HydrophobicContact CG-CG 4.23Å; L307-L311 VanDerWaalsContact O-CG 3.26Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3.49Å; Y308-L311 HydrophobicContact CD1-CD1 4.4Å; L311-G314 WeakPolarHBondContact O-CA 3.34Å; L311-G314 PolarHBondContact O-N 3.38Å; L311-G314 VanDerWaalsContact O-N 3.17Å; L311-A315 PolarHBondContact O-N 3.27Å; L311-F321 HydrophobicContact CB-CE1 4.31Å; L311-F321 HydrophobicContact CB-CZ 4.14Å; L311-F321 HydrophobicContact CD2-CD1 4.37Å; L311-F321 HydrophobicContact CD2-CE1 3.67Å; L311-F321 HydrophobicContact CD2-CE2 4.18Å; L311-F321 HydrophobicContact CD2-CZ 3.54Å; L311-F321 HydrophobicContact CG-CZ 4.44Å; L311-L337 HydrophobicContact CD2-CD1 3.93Å; L311-L337 HydrophobicContact CD2-CG 4.38Å |
| 312 | K | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | 174.3 | -74.7 | -179.7 | -150.2 | 70.1 | 0 | 113 | R220 V279 A281 L283 R285 Y308 M309 G314 A315 E316 | R220-K312 WeakPolarHBondContact CD-O 3.43Å; V279-K312 HydrophobicContact CB-CB 3.73Å; V279-K312 HydrophobicContact CG1-CB 3.75Å; V279-K312 HydrophobicContact CG1-CD 3.91Å; V279-K312 HydrophobicContact CG1-CG 4.47Å; V279-K312 HydrophobicContact CG2-CB 4.1Å; A281-K312 HydrophobicContact CB-CD 4Å; A281-K312 WeakPolarHBondContact O-CE 3.1Å; A281-K312 PolarHBondContact O-NZ 3.16Å; L283-K312 WeakPolarHBondContact O-CE 3.47Å; L283-K312 PolarHBondContact O-NZ 3.47Å; R285-K312 HydrophobicContact CG-CG 3.73Å; Y308-K312 PolarHBondContact O-N 2.93Å; Y308-K312 PolarHBondContact O-NZ 3.21Å; M309-K312 PolarHBondContact O-N 3.49Å; K312-G314 VanDerWaalsContact C-N 3.3Å; K312-A315 PolarHBondContact O-N 3.46Å; K312-E316 WeakPolarHBondContact O-CB 3.38Å; K312-E316 PolarHBondContact O-N 3.08Å |
| 313 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F277 V279 M309 D310 E316 S317 T342 | F277-A313 HydrophobicContact CB-CB 4.2Å; F277-A313 WeakPolarHBondContact CB-O 3.48Å; V279-A313 HydrophobicContact CG2-CB 4.43Å; M309-A313 WeakPolarHBondContact O-CB 3.36Å; M309-A313 PolarHBondContact O-N 2.99Å; D310-A313 PolarHBondContact O-N 3.36Å; A313-E316 WeakPolarHBondContact O-CB 3.26Å; A313-E316 PolarHBondContact O-N 3.33Å; A313-S317 PolarHBondContact O-N 2.93Å; A313-T342 HydrophobicContact CB-CG2 4.06Å |
| 314 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D310 L311 K312 E316 S317 | D310-G314 PolarHBondContact O-N 3.48Å; L311-G314 WeakPolarHBondContact O-CA 3.34Å; L311-G314 PolarHBondContact O-N 3.38Å; L311-G314 VanDerWaalsContact O-N 3.17Å; K312-G314 VanDerWaalsContact C-N 3.3Å; G314-E316 PolarHBondContact O-N 3.27Å; G314-S317 WeakPolarHBondContact O-CB 3.46Å; G314-S317 PolarHBondContact O-N 3.14Å; G314-S317 VanDerWaalsContact O-N 3.13Å; G314-S317 PolarHBondContact O-OG 3.11Å |
| 315 | A | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 2% | 0.017 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N211 L311 K312 S317 G318 D320 | N211-A315 PolarHBondContact ND2-O 3.11Å; N211-A315 VanDerWaalsContact ND2-O 3.08Å; L311-A315 PolarHBondContact O-N 3.27Å; K312-A315 PolarHBondContact O-N 3.46Å; A315-S317 PolarHBondContact O-N 3.46Å; A315-G318 PolarHBondContact O-N 3.41Å; A315-G318 VanDerWaalsContact O-N 3.11Å; A315-D320 HydrophobicContact CB-CB 4.24Å |
| 316 | E | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.7 | -26.4 | 173.4 | -167.6 | 174.3 | -114.1 | 0 | 0 | 112.2 | R220 S221 Q222 W257 R261 F277 N278 V279 K312 A313 G314 G318 | R220-E316 WeakPolarHBondContact CA-OE1 3.36Å; R220-E316 HydrophobicContact CB-CB 4.14Å; R220-E316 HydrophobicContact CB-CG 4.27Å; S221-E316 PolarHBondContact N-OE1 3.46Å; Q222-E316 VanDerWaalsContact CA-O 3.26Å; Q222-E316 WeakPolarHBondContact CA-O 3.28Å; W257-E316 HydrophobicContact CH2-CG 4.5Å; R261-E316 IonicContact CZ-OE1 3.09Å; R261-E316 IonicContact CZ-OE2 2.78Å; R261-E316 IonicContact NE-OE1 3.88Å; R261-E316 PolarHBondContact NE-OE1 2.83Å; R261-E316 IonicContact NE-OE2 3.23Å; R261-E316 PolarHBondContact NE-OE2 2.98Å; R261-E316 IonicContact NH2-OE1 3.15Å; R261-E316 PolarHBondContact NH2-OE1 3.43Å; R261-E316 IonicContact NH2-OE2 3.74Å; F277-E316 HydrophobicContact CB-CB 4.41Å; F277-E316 HydrophobicContact CD1-CB 4.19Å; F277-E316 HydrophobicContact CD1-CG 3.81Å; F277-E316 WeakPolarHBondContact CE1-O 3.42Å; N278-E316 PolarHBondContact N-OE2 2.9Å; N278-E316 VanDerWaalsContact N-OE2 3.14Å; V279-E316 HydrophobicContact CG2-CB 3.98Å; V279-E316 HydrophobicContact CG2-CG 4.38Å; K312-E316 WeakPolarHBondContact O-CB 3.38Å; K312-E316 PolarHBondContact O-N 3.08Å; A313-E316 WeakPolarHBondContact O-CB 3.26Å; A313-E316 PolarHBondContact O-N 3.33Å; G314-E316 PolarHBondContact O-N 3.27Å; E316-G318 VanDerWaalsContact C-N 3.25Å; E316-G318 PolarHBondContact O-N 3.42Å |
| 317 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.3 | 175.3 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | P223 A313 G314 A315 W319 W325 | P223-S317 VanDerWaalsContact CG-O 3.24Å; P223-S317 WeakPolarHBondContact CG-O 3.39Å; A313-S317 PolarHBondContact O-N 2.93Å; G314-S317 WeakPolarHBondContact O-CB 3.46Å; G314-S317 PolarHBondContact O-N 3.14Å; G314-S317 VanDerWaalsContact O-N 3.13Å; G314-S317 PolarHBondContact O-OG 3.11Å; A315-S317 PolarHBondContact O-N 3.46Å; S317-W319 PolarHBondContact O-N 2.63Å; S317-W319 PolarHBondContact OG-N 2.77Å; S317-W325 WeakPolarHBondContact OG-CZ2 3.49Å |
| 318 | G | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 5 Ų | 5 | 3% | 0.031 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -2.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W174 A315 E316 W463 | W174-G318 WeakPolarHBondContact CZ2-O 3.41Å; A315-G318 PolarHBondContact O-N 3.41Å; A315-G318 VanDerWaalsContact O-N 3.11Å; E316-G318 VanDerWaalsContact C-N 3.25Å; E316-G318 PolarHBondContact O-N 3.42Å; G318-W463 WeakPolarHBondContact O-CZ2 3.24Å; G318-W463 PolarHBondContact O-NE1 3.08Å; G318-W463 VanDerWaalsContact O-NE1 3.16Å |
| 319 | W | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | trans | -110.8 | 60.5 | 178.9 | -66.2 | 44.1 | 0 | 0 | 0 | 111.4 | W174 S317 F321 T322 W325 Y415 T454 W463 L472 | W174-W319 AromaticContact CH2-CD1 3.77Å; W174-W319 AromaticContact CH2-NE1 3.76Å; S317-W319 PolarHBondContact O-N 2.63Å; S317-W319 PolarHBondContact OG-N 2.77Å; W319-F321 WeakPolarHBondContact O-CA 3.45Å; W319-T322 HydrophobicContact CB-CG2 3.86Å; W319-T322 HydrophobicContact CE3-CG2 3.93Å; W319-W325 HydrophobicContact CB-CZ2 4.08Å; W319-W325 PolarHBondContact O-NE1 3.49Å; W319-Y415 HydrophobicContact CZ3-CD1 4.06Å; W319-T454 HydrophobicContact CD2-CG2 4.44Å; W319-T454 HydrophobicContact CE3-CG2 3.62Å; W319-T454 HydrophobicContact CH2-CG2 3.54Å; W319-T454 HydrophobicContact CZ2-CG2 4.35Å; W319-T454 HydrophobicContact CZ3-CG2 3.12Å; W319-W463 VanDerWaalsContact CA-CD1 3.47Å; W319-W463 HydrophobicContact CB-CB 4.09Å; W319-W463 HydrophobicContact CB-CD2 4.06Å; W319-W463 HydrophobicContact CB-CE3 4.44Å; W319-W463 HydrophobicContact CB-CG 3.89Å; W319-W463 AromaticContact CD1-CE3 3.93Å; W319-W463 HydrophobicContact CD2-CB 4.33Å; W319-W463 HydrophobicContact CD2-CD2 4.12Å; W319-W463 AromaticContact CD2-CE3 3.63Å; W319-W463 HydrophobicContact CD2-CE3 3.63Å; W319-W463 HydrophobicContact CD2-CG 4.43Å; W319-W463 HydrophobicContact CD2-CZ3 4.29Å; W319-W463 AromaticContact CE2-CE3 3.83Å; W319-W463 HydrophobicContact CE3-CB 4.03Å; W319-W463 HydrophobicContact CE3-CE3 4.15Å; W319-W463 HydrophobicContact CG-CB 4.38Å; W319-W463 AromaticContact CG-CD2 3.85Å; W319-W463 HydrophobicContact CG-CD2 3.85Å; W319-W463 AromaticContact CG-CE3 3.74Å; W319-W463 HydrophobicContact CG-CE3 3.74Å; W319-W463 HydrophobicContact CG-CG 4.13Å; W319-W463 HydrophobicContact CG-CZ3 4.31Å; W319-W463 AromaticContact NE1-CE3 3.95Å; W319-W463 AromaticContact NE1-CZ3 3.84Å; W319-L472 HydrophobicContact CH2-CD1 3.8Å; W319-L472 HydrophobicContact CH2-CD2 4.37Å; W319-L472 HydrophobicContact CZ2-CD1 3.58Å; W319-L472 HydrophobicContact CZ2-CD2 3.47Å; W319-L472 VanDerWaalsContact CZ2-CD2 3.47Å; W319-L472 HydrophobicContact CZ2-CG 4.17Å | ||
| 320 | D | 96.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 13.8 Ų | 13.8 | 17% | 0.166 | 9% | 0.088 | C | C | . | . | trans | -96.5 | 100.5 | 174.9 | 51.8 | -51.1 | 0 | 0 | 0 | 110.9 | A315 Q462 | A315-D320 HydrophobicContact CB-CB 4.24Å; D320-Q462 WeakPolarHBondContact O-CG 3.23Å; D320-Q462 PolarHBondContact O-NE2 3.29Å | ||
| 321 | F | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | S | Bend | cis | -124.3 | 169.9 | -4.8 | -61.8 | -75.8 | 0 | 0 | 0 | 112.7 | L311 W319 F326 L337 Q461 W463 E530 | L311-F321 HydrophobicContact CB-CE1 4.31Å; L311-F321 HydrophobicContact CB-CZ 4.14Å; L311-F321 HydrophobicContact CD2-CD1 4.37Å; L311-F321 HydrophobicContact CD2-CE1 3.67Å; L311-F321 HydrophobicContact CD2-CE2 4.18Å; L311-F321 HydrophobicContact CD2-CZ 3.54Å; L311-F321 HydrophobicContact CG-CZ 4.44Å; W319-F321 WeakPolarHBondContact O-CA 3.45Å; F321-F326 HydrophobicContact CB-CE1 4.34Å; F321-F326 HydrophobicContact CB-CZ 4.17Å; F321-L337 HydrophobicContact CB-CD1 3.56Å; F321-L337 HydrophobicContact CD1-CD1 3.76Å; F321-L337 HydrophobicContact CD2-CD1 3.51Å; F321-L337 HydrophobicContact CD2-CD2 4.19Å; F321-L337 HydrophobicContact CE1-CD1 4.35Å; F321-L337 HydrophobicContact CE2-CD1 4.13Å; F321-L337 HydrophobicContact CG-CD1 3.29Å; F321-Q461 HydrophobicContact CB-CG 4.5Å; F321-Q461 WeakPolarHBondContact O-CB 3.14Å; F321-W463 WeakPolarHBondContact O-CB 3.32Å; F321-W463 PolarHBondContact O-N 3.05Å; F321-E530 VanDerWaalsContact CE2-OE1 3.26Å; F321-E530 WeakPolarHBondContact CE2-OE1 3.47Å |
| 322 | T | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -151.6 | 148 | -177.6 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | W319 R324 W325 F326 W463 D464 | W319-T322 HydrophobicContact CB-CG2 3.86Å; W319-T322 HydrophobicContact CE3-CG2 3.93Å; T322-R324 HydrophobicContact CG2-CB 3.46Å; T322-R324 VanDerWaalsContact CG2-CB 3.46Å; T322-R324 PolarHBondContact O-N 3.04Å; T322-R324 VanDerWaalsContact O-N 3.09Å; T322-R324 WeakPolarHBondContact OG1-CB 3.37Å; T322-R324 PolarHBondContact OG1-N 3.04Å; T322-R324 VanDerWaalsContact OG1-N 3.15Å; T322-W325 HydrophobicContact CG2-CD2 4.13Å; T322-W325 HydrophobicContact CG2-CG 3.94Å; T322-W325 HydrophobicContact CG2-CZ2 4.4Å; T322-W325 PolarHBondContact O-N 2.97Å; T322-W325 VanDerWaalsContact O-N 3.13Å; T322-F326 WeakPolarHBondContact O-CD1 3.47Å; T322-F326 WeakPolarHBondContact O-CE1 3.23Å; T322-F326 WeakPolarHBondContact O-CZ 3.3Å; T322-W463 WeakPolarHBondContact CB-O 3.11Å; T322-W463 HydrophobicContact CG2-CB 4.32Å; T322-W463 PolarHBondContact OG1-O 2.93Å; T322-D464 PolarHBondContact OG1-OD1 3.21Å | ||
| 323 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -58 | -16.2 | 170 | 65.7 | 0 | 0 | 0 | 0 | 114 | W325 F326 Y415 D464 | S323-W325 PolarHBondContact O-N 2.98Å; S323-F326 PolarHBondContact O-N 3.26Å; S323-Y415 VanDerWaalsContact C-OH 3.31Å; S323-Y415 PolarHBondContact OG-OH 2.92Å; S323-Y415 VanDerWaalsContact OG-OH 3.1Å; S323-D464 WeakPolarHBondContact CB-OD2 3.41Å; S323-D464 PolarHBondContact N-OD2 3.16Å; S323-D464 VanDerWaalsContact OG-CG 3.25Å; S323-D464 PolarHBondContact OG-OD1 3.04Å; S323-D464 PolarHBondContact OG-OD2 3.08Å |
| 324 | R | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -51.5 | -35.4 | 170.2 | -164.3 | 179.1 | 175.2 | -161.8 | -9.5 | 112.4 | T322 N333 I345 D349 D402 Y415 S417 | T322-R324 HydrophobicContact CG2-CB 3.46Å; T322-R324 VanDerWaalsContact CG2-CB 3.46Å; T322-R324 PolarHBondContact O-N 3.04Å; T322-R324 VanDerWaalsContact O-N 3.09Å; T322-R324 WeakPolarHBondContact OG1-CB 3.37Å; T322-R324 PolarHBondContact OG1-N 3.04Å; T322-R324 VanDerWaalsContact OG1-N 3.15Å; R324-N333 PolarHBondContact O-ND2 2.67Å; R324-I345 WeakPolarHBondContact O-CD1 3.5Å; R324-D349 IonicContact CZ-OD1 3.53Å; R324-D349 IonicContact CZ-OD2 3.22Å; R324-D349 IonicContact NH1-OD1 3.24Å; R324-D349 IonicContact NH1-OD2 3.46Å; R324-D349 PolarHBondContact NH1-OD2 3.08Å; R324-D349 IonicContact NH2-OD1 3.61Å; R324-D349 PolarHBondContact NH2-OD1 2.95Å; R324-D349 IonicContact NH2-OD2 3.53Å; R324-D349 PolarHBondContact NH2-OD2 3.33Å; R324-D402 WeakPolarHBondContact CG-OD2 3.47Å; R324-D402 IonicContact CZ-OD1 2.64Å; R324-D402 IonicContact CZ-OD2 3.1Å; R324-D402 IonicContact NE-OD1 2.85Å; R324-D402 IonicContact NE-OD2 2.84Å; R324-D402 PolarHBondContact NE-OD2 3.26Å; R324-D402 IonicContact NH2-OD1 3.75Å; R324-D402 PolarHBondContact NH2-OD1 3.17Å; R324-D402 IonicContact NH2-OD2 3.37Å; R324-D402 PolarHBondContact NH2-OD2 3.13Å; R324-Y415 VanDerWaalsContact CA-CZ 3.44Å; R324-Y415 VanDerWaalsContact CA-OH 3.28Å; R324-Y415 WeakPolarHBondContact CA-OH 3.44Å; R324-Y415 HydrophobicContact CB-CD1 4.02Å; R324-Y415 HydrophobicContact CB-CE1 3.55Å; R324-Y415 HydrophobicContact CB-CE2 4.18Å; R324-Y415 HydrophobicContact CG-CD1 4.17Å; R324-Y415 HydrophobicContact CG-CD2 4.11Å; R324-Y415 HydrophobicContact CG-CE1 4.09Å; R324-Y415 HydrophobicContact CG-CE2 4.03Å; R324-Y415 HydrophobicContact CG-CG 4.19Å; R324-Y415 PolarHBondContact N-OH 3.43Å; R324-S417 VanDerWaalsContact CZ-OG 3.22Å; R324-S417 PolarHBondContact NH1-OG 3.39Å; R324-S417 PolarHBondContact NH2-OG 3.26Å |
| 325 | W | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -96.1 | -8.2 | -174.7 | -46.5 | 137.4 | 0 | 0 | 0 | 114.5 | S317 W319 T322 S323 I327 T340 R341 T342 I345 P347 | S317-W325 WeakPolarHBondContact OG-CZ2 3.49Å; W319-W325 HydrophobicContact CB-CZ2 4.08Å; W319-W325 PolarHBondContact O-NE1 3.49Å; T322-W325 HydrophobicContact CG2-CD2 4.13Å; T322-W325 HydrophobicContact CG2-CG 3.94Å; T322-W325 HydrophobicContact CG2-CZ2 4.4Å; T322-W325 PolarHBondContact O-N 2.97Å; T322-W325 VanDerWaalsContact O-N 3.13Å; S323-W325 PolarHBondContact O-N 2.98Å; W325-I327 PolarHBondContact O-N 2.81Å; W325-T340 HydrophobicContact CB-CG2 3.95Å; W325-T340 WeakPolarHBondContact O-CA 3.47Å; W325-R341 PolarHBondContact O-N 3.21Å; W325-T342 HydrophobicContact CD2-CG2 3.87Å; W325-T342 HydrophobicContact CE3-CG2 4.06Å; W325-T342 HydrophobicContact CG-CG2 4.19Å; W325-T342 HydrophobicContact CZ3-CG2 4.46Å; W325-I345 HydrophobicContact CE3-CB 4.49Å; W325-I345 HydrophobicContact CE3-CD1 3.7Å; W325-I345 HydrophobicContact CE3-CG2 4.39Å; W325-I345 HydrophobicContact CZ3-CB 4.43Å; W325-I345 HydrophobicContact CZ3-CD1 4.38Å; W325-I345 HydrophobicContact CZ3-CG2 3.99Å; W325-P347 HydrophobicContact CH2-CB 4.26Å; W325-P347 HydrophobicContact CH2-CG 4.34Å; W325-P347 HydrophobicContact CZ3-CG 4.39Å |
| 326 | F | 96.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -88.1 | 95.6 | -168.5 | -58.9 | -11.9 | 0 | 0 | 0 | 110.7 | F321 T322 S323 N333 T336 L337 T340 Q461 | F321-F326 HydrophobicContact CB-CE1 4.34Å; F321-F326 HydrophobicContact CB-CZ 4.17Å; T322-F326 WeakPolarHBondContact O-CD1 3.47Å; T322-F326 WeakPolarHBondContact O-CE1 3.23Å; T322-F326 WeakPolarHBondContact O-CZ 3.3Å; S323-F326 PolarHBondContact O-N 3.26Å; F326-N333 CarbonylContact O-C 3.56Å; F326-N333 VanDerWaalsContact O-CA 3.24Å; F326-N333 WeakPolarHBondContact O-CA 3.26Å; F326-T336 WeakPolarHBondContact CB-O 3.37Å; F326-T336 WeakPolarHBondContact CD1-O 3.39Å; F326-T336 VanDerWaalsContact CG-C 3.49Å; F326-T336 WeakPolarHBondContact CG-O 3.39Å; F326-L337 HydrophobicContact CE1-CB 4.26Å; F326-L337 HydrophobicContact CE1-CD1 3.71Å; F326-L337 HydrophobicContact CE2-CB 4.46Å; F326-L337 HydrophobicContact CZ-CB 3.9Å; F326-L337 HydrophobicContact CZ-CD1 3.8Å; F326-L337 HydrophobicContact CZ-CG 4.48Å; F326-T340 WeakPolarHBondContact CD1-OG1 3.45Å; F326-T340 VanDerWaalsContact CE1-OG1 3.26Å; F326-T340 WeakPolarHBondContact CE1-OG1 3.41Å; F326-Q461 HydrophobicContact CE2-CG 3.85Å; F326-Q461 HydrophobicContact CZ-CG 3.78Å |
| 327 | I | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -103 | 109.4 | 179.5 | -57.5 | 173.5 | 0 | 0 | 0 | 108.5 | W325 Q332 D339 R341 I345 N404 L406 | W325-I327 PolarHBondContact O-N 2.81Å; I327-Q332 WeakPolarHBondContact CA-O 3.41Å; I327-D339 PolarHBondContact N-O 2.81Å; I327-R341 HydrophobicContact CB-CB 3.99Å; I327-R341 HydrophobicContact CB-CG 4.07Å; I327-R341 HydrophobicContact CD1-CB 3.87Å; I327-R341 HydrophobicContact CG1-CB 4.14Å; I327-I345 HydrophobicContact CD1-CD1 3.74Å; I327-I345 HydrophobicContact CD1-CG1 3.68Å; I327-I345 HydrophobicContact CG1-CD1 4.21Å; I327-N404 WeakPolarHBondContact CD1-ND2 3.34Å; I327-L406 HydrophobicContact CD1-CD1 4.41Å; I327-L406 HydrophobicContact CG2-CD1 4.09Å | ||
| 328 | N | 89.2 | Confident | 93 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | trans | -66.1 | 178.6 | 179 | 80.1 | 0.7 | 0 | 0 | 0 | 112 | T330 G331 Q332 D334 | N328-T330 PolarHBondContact ND2-OG1 3.07Å; N328-T330 VanDerWaalsContact ND2-OG1 3.09Å; N328-T330 PolarHBondContact O-N 3.07Å; N328-T330 VanDerWaalsContact O-N 3.15Å; N328-T330 WeakPolarHBondContact OD1-CA 3.44Å; N328-T330 PolarHBondContact OD1-N 2.92Å; N328-T330 PolarHBondContact OD1-OG1 3.15Å; N328-G331 PolarHBondContact O-N 2.8Å; N328-G331 PolarHBondContact OD1-N 3.35Å; N328-Q332 PolarHBondContact N-O 2.74Å; N328-Q332 PolarHBondContact OD1-N 3.38Å; N328-Q332 PolarHBondContact OD1-O 2.96Å; N328-D334 VanDerWaalsContact CG-OD1 3.26Å; N328-D334 PolarHBondContact ND2-OD1 3.24Å | ||
| 329 | S | 84.8 | Confident | 92.9 | Very high | 125 Ų | 125 | 36.6 Ų | 36.6 | 87% | 0.874 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.5 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 330 | T | 83.9 | Confident | 92.9 | Very high | 92 Ų | 92 | 36.6 Ų | 36.6 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1 | 175.4 | 67.6 | 0 | 0 | 0 | 0 | 113 | N328 Q332 | N328-T330 PolarHBondContact ND2-OG1 3.07Å; N328-T330 VanDerWaalsContact ND2-OG1 3.09Å; N328-T330 PolarHBondContact O-N 3.07Å; N328-T330 VanDerWaalsContact O-N 3.15Å; N328-T330 WeakPolarHBondContact OD1-CA 3.44Å; N328-T330 PolarHBondContact OD1-N 2.92Å; N328-T330 PolarHBondContact OD1-OG1 3.15Å; T330-Q332 PolarHBondContact OG1-OE1 3.46Å |
| 331 | G | 82.6 | Confident | 92.9 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 84.4 | 10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N328 N404 T407 | N328-G331 PolarHBondContact O-N 2.8Å; N328-G331 PolarHBondContact OD1-N 3.35Å; G331-N404 PolarHBondContact O-ND2 3.41Å; G331-N404 VanDerWaalsContact O-ND2 3.15Å; G331-T407 WeakPolarHBondContact O-CG2 3.46Å |
| 332 | Q | 85.1 | Confident | 93 | Very high | 113 Ų | 113 | 37.4 Ų | 37.4 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | trans | -95.2 | 149.8 | -179.4 | -63 | 179 | -42.7 | 0 | 0 | 111.9 | I327 N328 T330 D334 | I327-Q332 WeakPolarHBondContact CA-O 3.41Å; N328-Q332 PolarHBondContact N-O 2.74Å; N328-Q332 PolarHBondContact OD1-N 3.38Å; N328-Q332 PolarHBondContact OD1-O 2.96Å; T330-Q332 PolarHBondContact OG1-OE1 3.46Å; Q332-D334 PolarHBondContact O-N 2.89Å; Q332-D334 VanDerWaalsContact O-N 3.12Å | ||
| 333 | N | 85.4 | Confident | 92.9 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 45.8 | -178.6 | -75.7 | 70.8 | 0 | 0 | 0 | 113.1 | R324 F326 H411 R457 | R324-N333 PolarHBondContact O-ND2 2.67Å; F326-N333 CarbonylContact O-C 3.56Å; F326-N333 VanDerWaalsContact O-CA 3.24Å; F326-N333 WeakPolarHBondContact O-CA 3.26Å; N333-H411 WeakPolarHBondContact CB-CE1 3.34Å; N333-H411 WeakPolarHBondContact CB-NE2 3.46Å; N333-H411 VanDerWaalsContact CG-CE1 3.43Å; N333-H411 PolarHBondContact ND2-CE1 2.98Å; N333-H411 PolarHBondContact ND2-ND1 2.62Å; N333-R457 PolarHBondContact O-NH1 3.3Å |
| 334 | D | 87.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 8.9 | 177.1 | 68.4 | -2.9 | 0 | 0 | 0 | 112.8 | N328 Q332 R457 | N328-D334 VanDerWaalsContact CG-OD1 3.26Å; N328-D334 PolarHBondContact ND2-OD1 3.24Å; Q332-D334 PolarHBondContact O-N 2.89Å; Q332-D334 VanDerWaalsContact O-N 3.12Å; D334-R457 VanDerWaalsContact C-NH2 3.31Å; D334-R457 VanDerWaalsContact CA-NH1 3.33Å; D334-R457 PolarHBondContact O-NH2 3.1Å |
| 335 | G | 93.5 | Very high | 93 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | trans | -71 | -167.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R457 | G335-R457 PolarHBondContact O-NH2 3.39Š| ||
| 336 | T | 95.4 | Very high | 93 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | trans | -116.9 | 179.2 | -179.9 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | F326 R338 D339 | F326-T336 WeakPolarHBondContact CB-O 3.37Å; F326-T336 WeakPolarHBondContact CD1-O 3.39Å; F326-T336 VanDerWaalsContact CG-C 3.49Å; F326-T336 WeakPolarHBondContact CG-O 3.39Å; T336-R338 PolarHBondContact O-N 3.44Å; T336-R338 VanDerWaalsContact O-N 3.17Å; T336-R338 PolarHBondContact OG1-N 3.04Å; T336-D339 PolarHBondContact N-OD2 2.88Å; T336-D339 WeakPolarHBondContact O-CA 3.49Å; T336-D339 WeakPolarHBondContact O-CB 3.35Å; T336-D339 PolarHBondContact O-N 2.95Å; T336-D339 PolarHBondContact OG1-OD2 3.13Å | ||
| 337 | L | 96.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -55.7 | -32.9 | 176.3 | -176.8 | 60.7 | 0 | 0 | 0 | 113.1 | L295 L311 F321 F326 D339 T340 | L295-L337 HydrophobicContact CD1-CB 4.41Å; L295-L337 HydrophobicContact CD1-CD2 4.5Å; L295-L337 HydrophobicContact CD1-CG 4.38Å; L295-L337 HydrophobicContact CD2-CB 4.48Å; L295-L337 HydrophobicContact CD2-CD2 3.99Å; L295-L337 HydrophobicContact CD2-CG 3.69Å; L311-L337 HydrophobicContact CD2-CD1 3.93Å; L311-L337 HydrophobicContact CD2-CG 4.38Å; F321-L337 HydrophobicContact CB-CD1 3.56Å; F321-L337 HydrophobicContact CD1-CD1 3.76Å; F321-L337 HydrophobicContact CD2-CD1 3.51Å; F321-L337 HydrophobicContact CD2-CD2 4.19Å; F321-L337 HydrophobicContact CE1-CD1 4.35Å; F321-L337 HydrophobicContact CE2-CD1 4.13Å; F321-L337 HydrophobicContact CG-CD1 3.29Å; F326-L337 HydrophobicContact CE1-CB 4.26Å; F326-L337 HydrophobicContact CE1-CD1 3.71Å; F326-L337 HydrophobicContact CE2-CB 4.46Å; F326-L337 HydrophobicContact CZ-CB 3.9Å; F326-L337 HydrophobicContact CZ-CD1 3.8Å; F326-L337 HydrophobicContact CZ-CG 4.48Å; L337-D339 PolarHBondContact O-N 3.09Å; L337-T340 WeakPolarHBondContact O-CB 3.17Å; L337-T340 PolarHBondContact O-N 3.33Å; L337-T340 VanDerWaalsContact O-N 3.16Å; L337-T340 PolarHBondContact O-OG1 3.26Å |
| 338 | R | 96.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 33% | 0.328 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -67 | -19.6 | 175.8 | -169.1 | 173.8 | 172.8 | 125.9 | -10.5 | 113.1 | L295 E297 T336 T340 | L295-R338 HydrophobicContact CD1-CB 3.86Å; L295-R338 HydrophobicContact CD1-CG 4.49Å; L295-R338 HydrophobicContact CG-CB 4.32Å; L295-R338 PolarHBondContact O-NH1 2.83Å; E297-R338 VanDerWaalsContact O-CZ 3.24Å; E297-R338 PolarHBondContact O-NH1 3.41Å; E297-R338 PolarHBondContact O-NH2 3.15Å; T336-R338 PolarHBondContact O-N 3.44Å; T336-R338 VanDerWaalsContact O-N 3.17Å; T336-R338 PolarHBondContact OG1-N 3.04Å; R338-T340 VanDerWaalsContact C-N 3.35Å |
| 339 | D | 95.9 | Very high | 93.8 | Very high | 46 Ų | 46 | 39 Ų | 39 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -95.2 | 14.4 | 178.1 | -52.7 | -65.3 | 0 | 0 | 0 | 112.3 | I327 T336 L337 R341 | I327-D339 PolarHBondContact N-O 2.81Å; T336-D339 PolarHBondContact N-OD2 2.88Å; T336-D339 WeakPolarHBondContact O-CA 3.49Å; T336-D339 WeakPolarHBondContact O-CB 3.35Å; T336-D339 PolarHBondContact O-N 2.95Å; T336-D339 PolarHBondContact OG1-OD2 3.13Å; L337-D339 PolarHBondContact O-N 3.09Å; D339-R341 PolarHBondContact O-N 2.94Å |
| 340 | T | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -58.9 | 127.7 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | D310 W325 F326 L337 R338 T342 | D310-T340 HydrophobicContact CB-CG2 4.08Å; D310-T340 WeakPolarHBondContact CB-O 3.31Å; W325-T340 HydrophobicContact CB-CG2 3.95Å; W325-T340 WeakPolarHBondContact O-CA 3.47Å; F326-T340 WeakPolarHBondContact CD1-OG1 3.45Å; F326-T340 VanDerWaalsContact CE1-OG1 3.26Å; F326-T340 WeakPolarHBondContact CE1-OG1 3.41Å; L337-T340 WeakPolarHBondContact O-CB 3.17Å; L337-T340 PolarHBondContact O-N 3.33Å; L337-T340 VanDerWaalsContact O-N 3.16Å; L337-T340 PolarHBondContact O-OG1 3.26Å; R338-T340 VanDerWaalsContact C-N 3.35Å; T340-T342 VanDerWaalsContact CG2-OG1 3.23Å; T340-T342 WeakPolarHBondContact CG2-OG1 3.33Å |
| 341 | R | 97.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | trans | -137.4 | 44.7 | -180 | -67.9 | -64.8 | -178.1 | -86.6 | -5.3 | 111.1 | W325 I327 D339 S343 Q344 | W325-R341 PolarHBondContact O-N 3.21Å; I327-R341 HydrophobicContact CB-CB 3.99Å; I327-R341 HydrophobicContact CB-CG 4.07Å; I327-R341 HydrophobicContact CD1-CB 3.87Å; I327-R341 HydrophobicContact CG1-CB 4.14Å; D339-R341 PolarHBondContact O-N 2.94Å; R341-S343 PolarHBondContact O-N 2.89Å; R341-Q344 HydrophobicContact CB-CB 4.25Å; R341-Q344 HydrophobicContact CB-CG 4.3Å; R341-Q344 WeakPolarHBondContact O-CA 3.45Å; R341-Q344 WeakPolarHBondContact O-CB 3.33Å; R341-Q344 PolarHBondContact O-N 2.88Å | ||
| 342 | T | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -53.5 | -39.3 | -176.2 | -41.6 | 0 | 0 | 0 | 0 | 112.7 | F277 D310 A313 W325 T340 Q344 I345 | F277-T342 HydrophobicContact CB-CG2 4.3Å; D310-T342 PolarHBondContact O-OG1 3.3Å; D310-T342 PolarHBondContact OD1-N 2.86Å; A313-T342 HydrophobicContact CB-CG2 4.06Å; W325-T342 HydrophobicContact CD2-CG2 3.87Å; W325-T342 HydrophobicContact CE3-CG2 4.06Å; W325-T342 HydrophobicContact CG-CG2 4.19Å; W325-T342 HydrophobicContact CZ3-CG2 4.46Å; T340-T342 VanDerWaalsContact CG2-OG1 3.23Å; T340-T342 WeakPolarHBondContact CG2-OG1 3.33Å; T342-Q344 PolarHBondContact O-N 3.18Å; T342-Q344 VanDerWaalsContact O-N 3.13Å; T342-I345 PolarHBondContact O-N 3.17Å |
| 343 | S | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -66.8 | -9.5 | 176.9 | 67.2 | 0 | 0 | 0 | 0 | 114 | R276 F277 Q306 D310 R341 | R276-S343 WeakPolarHBondContact CD-O 3.32Å; R276-S343 VanDerWaalsContact CZ-O 3.22Å; R276-S343 PolarHBondContact NE-O 3.1Å; R276-S343 PolarHBondContact NH1-O 3.36Å; F277-S343 WeakPolarHBondContact O-CA 3.23Å; Q306-S343 PolarHBondContact NE2-OG 3.23Å; D310-S343 WeakPolarHBondContact OD1-CB 3.39Å; D310-S343 PolarHBondContact OD1-N 3.18Å; D310-S343 PolarHBondContact OD1-OG 3.36Å; R341-S343 PolarHBondContact O-N 2.89Å |
| 344 | Q | 97.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 22 Ų | 22 | 20% | 0.201 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -102.9 | 12.4 | 178.2 | -56.2 | -57.3 | -42 | 0 | 0 | 113 | R341 T342 L405 L406 | R341-Q344 HydrophobicContact CB-CB 4.25Å; R341-Q344 HydrophobicContact CB-CG 4.3Å; R341-Q344 WeakPolarHBondContact O-CA 3.45Å; R341-Q344 WeakPolarHBondContact O-CB 3.33Å; R341-Q344 PolarHBondContact O-N 2.88Å; T342-Q344 PolarHBondContact O-N 3.18Å; T342-Q344 VanDerWaalsContact O-N 3.13Å; Q344-L405 VanDerWaalsContact O-CB 3.32Å; Q344-L405 WeakPolarHBondContact O-CB 3.45Å; Q344-L405 WeakPolarHBondContact O-CG 3.13Å; Q344-L405 PolarHBondContact O-N 3.27Å; Q344-L406 HydrophobicContact CB-CD1 4.12Å; Q344-L406 HydrophobicContact CB-CD2 4.39Å; Q344-L406 HydrophobicContact CB-CG 3.9Å; Q344-L406 HydrophobicContact CG-CD1 4.17Å; Q344-L406 HydrophobicContact CG-CD2 4.04Å; Q344-L406 HydrophobicContact CG-CG 4.05Å |
| 345 | I | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135 | -178 | -64.6 | 166.9 | 0 | 0 | 0 | 109 | R276 R324 W325 I327 T342 P347 D402 Y403 | R276-I345 VanDerWaalsContact CB-O 3.3Å; R276-I345 WeakPolarHBondContact CB-O 3.48Å; R324-I345 WeakPolarHBondContact O-CD1 3.5Å; W325-I345 HydrophobicContact CE3-CB 4.49Å; W325-I345 HydrophobicContact CE3-CD1 3.7Å; W325-I345 HydrophobicContact CE3-CG2 4.39Å; W325-I345 HydrophobicContact CZ3-CB 4.43Å; W325-I345 HydrophobicContact CZ3-CD1 4.38Å; W325-I345 HydrophobicContact CZ3-CG2 3.99Å; I327-I345 HydrophobicContact CD1-CD1 3.74Å; I327-I345 HydrophobicContact CD1-CG1 3.68Å; I327-I345 HydrophobicContact CG1-CD1 4.21Å; T342-I345 PolarHBondContact O-N 3.17Å; I345-P347 VanDerWaalsContact O-CD 3.23Å; I345-P347 WeakPolarHBondContact O-CD 3.37Å; I345-D402 HydrophobicContact CG2-CB 3.64Å; I345-Y403 WeakPolarHBondContact CA-O 3.15Å |
| 346 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.3 | 165.8 | -57 | -176.3 | 0 | 0 | 0 | 108.7 | I263 V265 L274 R276 L391 L392 D402 Y403 L405 | I263-L346 HydrophobicContact CG2-CD2 3.61Å; V265-L346 HydrophobicContact CG2-CD1 4.08Å; L274-L346 HydrophobicContact CB-CD1 4.2Å; L274-L346 HydrophobicContact CB-CD2 4.48Å; L274-L346 HydrophobicContact CD1-CD1 3.97Å; R276-L346 HydrophobicContact CB-CD2 4.2Å; L346-L391 HydrophobicContact CD1-CD1 4.28Å; L346-L392 HydrophobicContact CB-CD2 4.23Å; L346-D402 WeakPolarHBondContact O-CA 3.39Å; L346-Y403 HydrophobicContact CD1-CD1 4.13Å; L346-Y403 PolarHBondContact N-O 3.07Å; L346-Y403 PolarHBondContact O-N 2.91Å; L346-L405 HydrophobicContact CD1-CD2 4.06Å; L346-L405 HydrophobicContact CD2-CD1 4.05Å; L346-L405 HydrophobicContact CD2-CD2 4.15Å; L346-L405 HydrophobicContact CD2-CG 4.37Å; L346-L405 HydrophobicContact CG-CD1 4.43Å; L346-L405 HydrophobicContact CG-CD2 3.9Å; L346-L405 HydrophobicContact CG-CG 4.21Å |
| 347 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -79.2 | 134.7 | -172.9 | -14.5 | 33.1 | 0 | 0 | 0 | 111.2 | N275 F277 W325 I345 D349 L350 N351 D402 | N275-P347 WeakPolarHBondContact O-CD 3.41Å; F277-P347 HydrophobicContact CD2-CG 3.75Å; F277-P347 HydrophobicContact CE2-CB 4.2Å; F277-P347 HydrophobicContact CE2-CG 3.89Å; W325-P347 HydrophobicContact CH2-CB 4.26Å; W325-P347 HydrophobicContact CH2-CG 4.34Å; W325-P347 HydrophobicContact CZ3-CG 4.39Å; I345-P347 VanDerWaalsContact O-CD 3.23Å; I345-P347 WeakPolarHBondContact O-CD 3.37Å; P347-D349 WeakPolarHBondContact CB-OD1 3.4Å; P347-L350 HydrophobicContact CB-CB 4.12Å; P347-L350 HydrophobicContact CG-CB 4.38Å; P347-N351 PolarHBondContact O-N 2.71Å; P347-N351 PolarHBondContact O-ND2 3.27Å; P347-D402 VanDerWaalsContact CA-OD1 3.31Å; P347-D402 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 348 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | N351 A352 L392 W400 F401 D402 S417 P421 | V348-N351 PolarHBondContact O-N 3.34Å; V348-A352 VanDerWaalsContact O-CB 3.28Å; V348-A352 WeakPolarHBondContact O-CB 3.35Å; V348-A352 PolarHBondContact O-N 2.59Å; V348-L392 HydrophobicContact CG2-CB 4.26Å; V348-L392 HydrophobicContact CG2-CD1 4.17Å; V348-W400 HydrophobicContact CB-CB 4.46Å; V348-W400 HydrophobicContact CG1-CB 3.61Å; V348-W400 HydrophobicContact CG1-CG 4.44Å; V348-W400 HydrophobicContact CG2-CB 3.91Å; V348-F401 WeakPolarHBondContact CG2-O 3.49Å; V348-D402 WeakPolarHBondContact CG2-OD1 3.49Å; V348-D402 PolarHBondContact N-OD1 3.44Å; V348-S417 VanDerWaalsContact CG1-O 3.27Å; V348-S417 WeakPolarHBondContact CG1-O 3.29Å; V348-P421 HydrophobicContact CG1-CG 3.56Å |
| 349 | D | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 13.3 Ų | 13.3 | 11% | 0.107 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | -179 | 49.3 | -4.7 | 0 | 0 | 0 | 113.3 | R324 P347 N351 A352 L353 A420 | R324-D349 IonicContact CZ-OD1 3.53Å; R324-D349 IonicContact CZ-OD2 3.22Å; R324-D349 IonicContact NH1-OD1 3.24Å; R324-D349 IonicContact NH1-OD2 3.46Å; R324-D349 PolarHBondContact NH1-OD2 3.08Å; R324-D349 IonicContact NH2-OD1 3.61Å; R324-D349 PolarHBondContact NH2-OD1 2.95Å; R324-D349 IonicContact NH2-OD2 3.53Å; R324-D349 PolarHBondContact NH2-OD2 3.33Å; P347-D349 WeakPolarHBondContact CB-OD1 3.4Å; D349-N351 VanDerWaalsContact C-N 3.3Å; D349-N351 PolarHBondContact O-N 3.34Å; D349-A352 PolarHBondContact O-N 2.81Å; D349-L353 VanDerWaalsContact O-CB 3.3Å; D349-L353 WeakPolarHBondContact O-CB 3.42Å; D349-L353 PolarHBondContact O-N 2.77Å; D349-A420 HydrophobicContact CB-CB 3.95Å |
| 350 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 176.7 | 176.9 | 57.9 | 0 | 0 | 0 | 111.4 | P224 W257 N275 F277 P347 L353 L354 | P224-L350 HydrophobicContact CG-CD1 4.35Å; W257-L350 HydrophobicContact CE3-CD1 3.91Å; W257-L350 HydrophobicContact CE3-CD2 4.41Å; W257-L350 HydrophobicContact CH2-CD1 4.16Å; W257-L350 HydrophobicContact CZ3-CD1 3.65Å; W257-L350 HydrophobicContact CZ3-CD2 4.01Å; W257-L350 HydrophobicContact CZ3-CG 4.48Å; N275-L350 HydrophobicContact CB-CD2 3.88Å; N275-L350 HydrophobicContact CB-CG 4.22Å; F277-L350 HydrophobicContact CD1-CD2 4.09Å; F277-L350 HydrophobicContact CD2-CD2 4.28Å; F277-L350 HydrophobicContact CE1-CD1 3.89Å; F277-L350 HydrophobicContact CE1-CD2 3.93Å; F277-L350 HydrophobicContact CE1-CG 4.33Å; F277-L350 HydrophobicContact CE2-CB 3.93Å; F277-L350 HydrophobicContact CE2-CD2 4.1Å; F277-L350 HydrophobicContact CE2-CG 4.48Å; F277-L350 HydrophobicContact CG-CD2 4.28Å; F277-L350 HydrophobicContact CZ-CB 3.78Å; F277-L350 HydrophobicContact CZ-CD1 3.91Å; F277-L350 HydrophobicContact CZ-CD2 3.93Å; F277-L350 HydrophobicContact CZ-CG 4.07Å; P347-L350 HydrophobicContact CB-CB 4.12Å; P347-L350 HydrophobicContact CG-CB 4.38Å; L350-L353 PolarHBondContact O-N 2.7Å; L350-L354 HydrophobicContact CD1-CD1 4.05Å; L350-L354 HydrophobicContact CD1-CG 4.24Å; L350-L354 HydrophobicContact CG-CD1 4.17Å; L350-L354 WeakPolarHBondContact O-CG 3.11Å; L350-L354 PolarHBondContact O-N 2.96Å |
| 351 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -74.8 | -33 | -178 | -72 | -75.8 | 0 | 0 | 0 | 112.3 | L274 N275 P347 V348 D349 C355 R384 M388 L392 | L274-N351 WeakPolarHBondContact CB-OD1 3.46Å; L274-N351 HydrophobicContact CD2-CB 4.17Å; L274-N351 WeakPolarHBondContact CD2-OD1 3.45Å; N275-N351 PolarHBondContact N-OD1 2.85Å; N275-N351 PolarHBondContact O-ND2 2.81Å; P347-N351 PolarHBondContact O-N 2.71Å; P347-N351 PolarHBondContact O-ND2 3.27Å; V348-N351 PolarHBondContact O-N 3.34Å; D349-N351 VanDerWaalsContact C-N 3.3Å; D349-N351 PolarHBondContact O-N 3.34Å; N351-C355 WeakPolarHBondContact O-CB 3.48Å; N351-C355 PolarHBondContact O-N 3.48Å; N351-R384 WeakPolarHBondContact O-CD 3.4Å; N351-R384 PolarHBondContact OD1-NH1 2.87Å; N351-M388 VanDerWaalsContact C-SD 3.58Å; N351-M388 HydrophobicContact CB-CE 4.28Å; N351-M388 HydrophobicContact CB-CG 3.99Å; N351-M388 HydrophobicContact CB-SD 3.93Å; N351-L392 HydrophobicContact CB-CD1 4.39Å |
| 352 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V348 D349 C355 R356 M388 A420 P421 A424 | V348-A352 VanDerWaalsContact O-CB 3.28Å; V348-A352 WeakPolarHBondContact O-CB 3.35Å; V348-A352 PolarHBondContact O-N 2.59Å; D349-A352 PolarHBondContact O-N 2.81Å; A352-C355 WeakPolarHBondContact O-CB 3.32Å; A352-C355 PolarHBondContact O-N 3.33Å; A352-R356 PolarHBondContact O-N 3.42Å; A352-M388 HydrophobicContact CB-CE 3.94Å; A352-A420 HydrophobicContact CB-CB 4.06Å; A352-P421 HydrophobicContact CB-CB 4.49Å; A352-P421 HydrophobicContact CB-CG 4.09Å; A352-A424 HydrophobicContact CB-CB 3.87Å; A352-A424 VanDerWaalsContact O-CB 3.32Å; A352-A424 WeakPolarHBondContact O-CB 3.42Å |
| 353 | L | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 178.8 | -177.7 | 56.9 | 0 | 0 | 0 | 111.9 | P223 P224 F225 L228 D349 L350 C355 R356 N357 W423 | P223-L353 HydrophobicContact CB-CD2 3.8Å; P224-L353 HydrophobicContact CG-CD2 4.04Å; P224-L353 HydrophobicContact CG-CG 4.26Å; F225-L353 HydrophobicContact CD1-CD1 4.38Å; F225-L353 HydrophobicContact CD2-CD1 4.38Å; F225-L353 HydrophobicContact CD2-CD2 3.63Å; F225-L353 HydrophobicContact CE1-CD1 4.28Å; F225-L353 HydrophobicContact CE2-CD1 4.26Å; F225-L353 HydrophobicContact CE2-CD2 3.47Å; F225-L353 VanDerWaalsContact CE2-CD2 3.47Å; F225-L353 HydrophobicContact CG-CD1 4.43Å; F225-L353 HydrophobicContact CG-CD2 4.4Å; F225-L353 HydrophobicContact CZ-CD1 4.21Å; F225-L353 HydrophobicContact CZ-CD2 4.14Å; L228-L353 HydrophobicContact CD1-CD1 3.72Å; L228-L353 HydrophobicContact CD2-CD1 4.35Å; D349-L353 VanDerWaalsContact O-CB 3.3Å; D349-L353 WeakPolarHBondContact O-CB 3.42Å; D349-L353 PolarHBondContact O-N 2.77Å; L350-L353 PolarHBondContact O-N 2.7Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.28Å; L353-R356 CarbonylContact O-C 3.23Å; L353-R356 WeakPolarHBondContact O-CB 3.39Å; L353-R356 PolarHBondContact O-N 2.85Å; L353-R356 VanDerWaalsContact O-N 3.14Å; L353-N357 PolarHBondContact O-N 3.03Å; L353-N357 PolarHBondContact O-OD1 3.43Å; L353-W423 HydrophobicContact CD1-CH2 3.89Å; L353-W423 HydrophobicContact CD1-CZ3 3.99Å |
| 354 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 175.2 | -72.1 | 172.1 | 0 | 0 | 0 | 112.5 | P224 Y254 W257 N275 L350 R356 N357 E358 | P224-L354 HydrophobicContact CG-CD2 3.88Å; P224-L354 HydrophobicContact CG-CG 4.41Å; Y254-L354 HydrophobicContact CD2-CD2 4.48Å; W257-L354 HydrophobicContact CB-CD1 4.44Å; W257-L354 HydrophobicContact CB-CD2 3.99Å; W257-L354 HydrophobicContact CG-CD2 4.03Å; N275-L354 HydrophobicContact CB-CD1 3.51Å; N275-L354 WeakPolarHBondContact OD1-CD1 3.47Å; L350-L354 HydrophobicContact CD1-CD1 4.05Å; L350-L354 HydrophobicContact CD1-CG 4.24Å; L350-L354 HydrophobicContact CG-CD1 4.17Å; L350-L354 WeakPolarHBondContact O-CG 3.11Å; L350-L354 PolarHBondContact O-N 2.96Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-N357 PolarHBondContact O-N 3.47Å; L354-E358 VanDerWaalsContact O-CG 3.28Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.32Å |
| 355 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 171.7 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | N351 A352 L353 E358 K359 R384 M388 C426 | N351-C355 WeakPolarHBondContact O-CB 3.48Å; N351-C355 PolarHBondContact O-N 3.48Å; A352-C355 WeakPolarHBondContact O-CB 3.32Å; A352-C355 PolarHBondContact O-N 3.33Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.28Å; C355-E358 PolarHBondContact O-N 2.79Å; C355-K359 WeakPolarHBondContact O-CG 3.35Å; C355-K359 PolarHBondContact O-N 3.2Å; C355-K359 VanDerWaalsContact O-N 3.11Å; C355-R384 HydrophobicContact CB-CG 4.26Å; C355-R384 VanDerWaalsContact N-CD 3.35Å; C355-M388 HydrophobicContact CB-SD 4.4Å; C355-C426 VanDerWaalsContact C-SG 3.54Å; C355-C426 HydrophobicContact CB-CB 3.73Å; C355-C426 WeakPolarHBondContact CB-SG 3.4Å; C355-C426 WeakPolarHBondContact SG-CB 3.24Å; C355-C426 CovalentContact SG-SG 2.03Å; C355-C426 PolarHBondContact SG-SG 2.81Å |
| 356 | R | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 16 Ų | 16 | 9% | 0.087 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 173.4 | -175.5 | 166.8 | 175.5 | 177.7 | -1.1 | 111.2 | L228 E231 A352 L353 L354 E358 K359 L360 A424 | L228-R356 HydrophobicContact CD1-CG 4.49Å; L228-R356 VanDerWaalsContact CD2-CZ 3.49Å; E231-R356 IonicContact OE2-NH2 2.72Å; E231-R356 PolarHBondContact OE2-NH2 3.28Å; E231-R356 VanDerWaalsContact OE2-NH2 3.1Å; A352-R356 PolarHBondContact O-N 3.42Å; L353-R356 CarbonylContact O-C 3.23Å; L353-R356 WeakPolarHBondContact O-CB 3.39Å; L353-R356 PolarHBondContact O-N 2.85Å; L353-R356 VanDerWaalsContact O-N 3.14Å; L354-R356 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 3.09Å; R356-K359 WeakPolarHBondContact O-CB 3.34Å; R356-K359 PolarHBondContact O-N 3.04Å; R356-L360 HydrophobicContact CG-CD1 4.35Å; R356-L360 HydrophobicContact CG-CG 4.5Å; R356-L360 WeakPolarHBondContact O-CG 3.24Å; R356-L360 PolarHBondContact O-N 3.31Å; R356-A424 HydrophobicContact CB-CB 4.16Å |
| 357 | N | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 176.5 | -70.6 | -4 | 0 | 0 | 0 | 112 | P224 P227 L228 L353 L354 K359 L360 L361 | P224-N357 PolarHBondContact O-ND2 3.04Å; P227-N357 HydrophobicContact CG-CB 4.23Å; L228-N357 WeakPolarHBondContact CD1-OD1 3.35Å; L353-N357 PolarHBondContact O-N 3.03Å; L353-N357 PolarHBondContact O-OD1 3.43Å; L354-N357 PolarHBondContact O-N 3.47Å; N357-K359 VanDerWaalsContact C-N 3.32Å; N357-K359 PolarHBondContact O-N 3.06Å; N357-L360 PolarHBondContact O-N 2.79Å; N357-L360 VanDerWaalsContact O-N 3.16Å; N357-L361 VanDerWaalsContact O-CG 3.31Å; N357-L361 WeakPolarHBondContact O-CG 3.48Å; N357-L361 PolarHBondContact O-N 3.03Å |
| 358 | E | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 175.6 | -70.9 | 158.1 | 171.2 | 0 | 0 | 111.3 | Y254 L354 C355 R356 L360 L361 A362 Y377 A380 A381 R384 | Y254-E358 HydrophobicContact CD2-CG 4.5Å; Y254-E358 HydrophobicContact CE2-CG 3.53Å; Y254-E358 PolarHBondContact OH-OE1 2.9Å; L354-E358 VanDerWaalsContact O-CG 3.28Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.32Å; C355-E358 PolarHBondContact O-N 2.79Å; R356-E358 PolarHBondContact O-N 3.09Å; E358-L360 PolarHBondContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.21Å; E358-A362 WeakPolarHBondContact O-CB 3.27Å; E358-A362 PolarHBondContact O-N 2.83Å; E358-Y377 WeakPolarHBondContact O-CB 3.16Å; E358-A380 HydrophobicContact CB-CB 4.5Å; E358-A380 HydrophobicContact CG-CB 4.03Å; E358-A381 HydrophobicContact CB-CB 3.84Å; E358-A381 VanDerWaalsContact OE2-CA 3.23Å; E358-A381 WeakPolarHBondContact OE2-CA 3.47Å; E358-A381 PolarHBondContact OE2-N 2.75Å; E358-R384 IonicContact OE1-CZ 3.24Å; E358-R384 VanDerWaalsContact OE1-CZ 3.23Å; E358-R384 IonicContact OE1-NE 2.74Å; E358-R384 PolarHBondContact OE1-NE 2.61Å; E358-R384 IonicContact OE1-NH2 3.45Å; E358-R384 PolarHBondContact OE1-NH2 3.12Å; E358-R384 WeakPolarHBondContact OE2-CB 3.41Å; E358-R384 WeakPolarHBondContact OE2-CD 3.31Å; E358-R384 IonicContact OE2-NE 2.79Å; E358-R384 PolarHBondContact OE2-NE 3.21Å; E358-R384 VanDerWaalsContact OE2-NE 3.07Å |
| 359 | K | 98.9 | Very high | 98.7 | Very high | 78 Ų | 78 | 24.4 Ų | 24.4 | 34% | 0.339 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.3 | -69.6 | 179 | 177.1 | -167.9 | 0 | 112.7 | C355 R356 N357 A362 S363 A381 Q425 | C355-K359 WeakPolarHBondContact O-CG 3.35Å; C355-K359 PolarHBondContact O-N 3.2Å; C355-K359 VanDerWaalsContact O-N 3.11Å; R356-K359 WeakPolarHBondContact O-CB 3.34Å; R356-K359 PolarHBondContact O-N 3.04Å; N357-K359 VanDerWaalsContact C-N 3.32Å; N357-K359 PolarHBondContact O-N 3.06Å; K359-A362 PolarHBondContact O-N 2.77Å; K359-S363 WeakPolarHBondContact O-CB 3.02Å; K359-S363 PolarHBondContact O-N 3.22Å; K359-A381 HydrophobicContact CG-CB 3.96Å; K359-Q425 PolarHBondContact NZ-O 3.37Å |
| 360 | L | 98.8 | Very high | 98.7 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 177.4 | -69.3 | 177.6 | 0 | 0 | 0 | 112 | P227 L228 E231 R356 N357 E358 A362 S363 F364 | P227-L360 HydrophobicContact CB-CB 4.43Å; P227-L360 HydrophobicContact CB-CD1 4.05Å; L228-L360 HydrophobicContact CB-CD1 4.46Å; L228-L360 HydrophobicContact CD1-CD1 3.86Å; L228-L360 HydrophobicContact CG-CD1 3.83Å; E231-L360 HydrophobicContact CB-CD1 4.35Å; E231-L360 HydrophobicContact CB-CD2 4.17Å; E231-L360 HydrophobicContact CG-CD2 4.04Å; E231-L360 WeakPolarHBondContact OE1-CD2 3.38Å; R356-L360 HydrophobicContact CG-CD1 4.35Å; R356-L360 HydrophobicContact CG-CG 4.5Å; R356-L360 WeakPolarHBondContact O-CG 3.24Å; R356-L360 PolarHBondContact O-N 3.31Å; N357-L360 PolarHBondContact O-N 2.79Å; N357-L360 VanDerWaalsContact O-N 3.16Å; E358-L360 PolarHBondContact O-N 3.08Å; L360-A362 VanDerWaalsContact C-N 3.28Å; L360-A362 PolarHBondContact O-N 3.36Å; L360-S363 WeakPolarHBondContact O-CB 3.12Å; L360-S363 PolarHBondContact O-N 2.92Å; L360-S363 VanDerWaalsContact O-N 3.09Å; L360-F364 HydrophobicContact CB-CE2 4.13Å; L360-F364 HydrophobicContact CB-CZ 4.23Å; L360-F364 WeakPolarHBondContact O-CB 3.49Å; L360-F364 WeakPolarHBondContact O-CD2 3.16Å; L360-F364 WeakPolarHBondContact O-CG 3.42Å; L360-F364 PolarHBondContact O-N 3.2Å |
| 361 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.7 | -68.3 | 173.4 | 0 | 0 | 0 | 111 | L247 L250 E251 Y254 N357 E358 F364 H365 Y377 | L247-L361 HydrophobicContact CD1-CD2 3.64Å; L250-L361 HydrophobicContact CB-CD2 3.91Å; E251-L361 HydrophobicContact CG-CD2 4.13Å; Y254-L361 HydrophobicContact CD1-CD1 4.22Å; Y254-L361 HydrophobicContact CD2-CD1 4.25Å; Y254-L361 HydrophobicContact CG-CD1 3.85Å; N357-L361 VanDerWaalsContact O-CG 3.31Å; N357-L361 WeakPolarHBondContact O-CG 3.48Å; N357-L361 PolarHBondContact O-N 3.03Å; E358-L361 PolarHBondContact O-N 3.21Å; L361-F364 PolarHBondContact O-N 2.98Å; L361-H365 WeakPolarHBondContact O-CB 3.45Å; L361-H365 PolarHBondContact O-CD2 3.16Å; L361-H365 VanDerWaalsContact O-CD2 3.22Å; L361-H365 PolarHBondContact O-N 2.83Å; L361-Y377 HydrophobicContact CB-CD1 3.91Å; L361-Y377 HydrophobicContact CB-CD2 3.88Å; L361-Y377 HydrophobicContact CB-CE1 4.18Å; L361-Y377 HydrophobicContact CB-CE2 4.16Å; L361-Y377 HydrophobicContact CB-CG 3.77Å; L361-Y377 HydrophobicContact CD1-CD1 3.84Å; L361-Y377 HydrophobicContact CD1-CE1 3.51Å; L361-Y377 HydrophobicContact CG-CE1 4.47Å |
| 362 | A | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E358 K359 L360 H365 R366 A374 E378 | E358-A362 WeakPolarHBondContact O-CB 3.27Å; E358-A362 PolarHBondContact O-N 2.83Å; K359-A362 PolarHBondContact O-N 2.77Å; L360-A362 VanDerWaalsContact C-N 3.28Å; L360-A362 PolarHBondContact O-N 3.36Å; A362-H365 PolarHBondContact O-N 3.35Å; A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 PolarHBondContact O-N 3.25Å; A362-A374 WeakPolarHBondContact O-CB 3.41Å; A362-E378 HydrophobicContact CB-CG 3.74Å |
| 363 | S | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 112 | K359 L360 H365 R366 L367 | K359-S363 WeakPolarHBondContact O-CB 3.02Å; K359-S363 PolarHBondContact O-N 3.22Å; L360-S363 WeakPolarHBondContact O-CB 3.12Å; L360-S363 PolarHBondContact O-N 2.92Å; L360-S363 VanDerWaalsContact O-N 3.09Å; S363-H365 PolarHBondContact O-N 3.27Å; S363-R366 WeakPolarHBondContact O-CB 3.43Å; S363-R366 PolarHBondContact O-N 2.67Å; S363-L367 WeakPolarHBondContact O-CB 3.49Å; S363-L367 WeakPolarHBondContact O-CG 3.5Å; S363-L367 PolarHBondContact O-N 3.01Å |
| 364 | F | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 178.9 | -62.6 | -22 | 0 | 0 | 0 | 112 | A230 E231 L243 L247 L250 L360 L361 R366 L367 L368 | A230-F364 HydrophobicContact CB-CE2 4.43Å; A230-F364 HydrophobicContact CB-CZ 4.49Å; E231-F364 HydrophobicContact CB-CE1 4.4Å; E231-F364 HydrophobicContact CB-CZ 3.98Å; L243-F364 HydrophobicContact CD1-CB 4.22Å; L243-F364 HydrophobicContact CD1-CD1 3.79Å; L243-F364 HydrophobicContact CD1-CD2 3.86Å; L243-F364 HydrophobicContact CD1-CE1 4.01Å; L243-F364 HydrophobicContact CD1-CE2 4.07Å; L243-F364 HydrophobicContact CD1-CG 3.7Å; L243-F364 HydrophobicContact CD1-CZ 4.14Å; L243-F364 HydrophobicContact CD2-CB 4.2Å; L243-F364 HydrophobicContact CD2-CD1 3.83Å; L243-F364 HydrophobicContact CD2-CE1 4.48Å; L243-F364 HydrophobicContact CD2-CG 4.16Å; L243-F364 HydrophobicContact CG-CB 4.39Å; L243-F364 HydrophobicContact CG-CD1 4.37Å; L243-F364 HydrophobicContact CG-CG 4.33Å; L247-F364 HydrophobicContact CD1-CB 3.91Å; L247-F364 HydrophobicContact CD1-CD2 4.14Å; L247-F364 HydrophobicContact CD2-CB 4.13Å; L250-F364 HydrophobicContact CD1-CD2 4.08Å; L250-F364 HydrophobicContact CD1-CE2 3.87Å; L360-F364 HydrophobicContact CB-CE2 4.13Å; L360-F364 HydrophobicContact CB-CZ 4.23Å; L360-F364 WeakPolarHBondContact O-CB 3.49Å; L360-F364 WeakPolarHBondContact O-CD2 3.16Å; L360-F364 WeakPolarHBondContact O-CG 3.42Å; L360-F364 PolarHBondContact O-N 3.2Å; L361-F364 PolarHBondContact O-N 2.98Å; F364-R366 VanDerWaalsContact C-N 3.34Å; F364-R366 PolarHBondContact O-N 3Å; F364-L367 HydrophobicContact CD1-CD1 4.42Å; F364-L367 PolarHBondContact O-N 3.48Å; F364-L368 WeakPolarHBondContact O-CG 3.48Å; F364-L368 PolarHBondContact O-N 3.2Å |
| 365 | H | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.1 | -86.7 | -63.6 | 0 | 0 | 0 | 111.9 | E251 L361 A362 S363 L368 G369 N370 S373 A374 Y377 | E251-H365 IonicContact OE1-CD2 2.83Å; E251-H365 IonicContact OE1-CE1 3.74Å; E251-H365 IonicContact OE1-NE2 3.16Å; E251-H365 PolarHBondContact OE1-NE2 3.48Å; E251-H365 IonicContact OE2-CE1 3.49Å; E251-H365 IonicContact OE2-NE2 2.83Å; L361-H365 WeakPolarHBondContact O-CB 3.45Å; L361-H365 PolarHBondContact O-CD2 3.16Å; L361-H365 VanDerWaalsContact O-CD2 3.22Å; L361-H365 PolarHBondContact O-N 2.83Å; A362-H365 PolarHBondContact O-N 3.35Å; S363-H365 PolarHBondContact O-N 3.27Å; H365-L368 CarbonylContact O-C 3.58Å; H365-L368 PolarHBondContact O-N 2.86Å; H365-G369 PolarHBondContact O-N 3.18Å; H365-G369 VanDerWaalsContact O-N 3.12Å; H365-N370 HydrophobicContact CB-CB 4.28Å; H365-N370 PolarHBondContact ND1-ND2 2.91Å; H365-N370 PolarHBondContact O-N 3.33Å; H365-S373 VanDerWaalsContact CG-CB 3.46Å; H365-S373 WeakPolarHBondContact ND1-CB 3.33Å; H365-A374 HydrophobicContact CB-CB 4.03Å; H365-Y377 AromaticContact CD2-CD2 3.75Å; H365-Y377 AromaticContact CD2-CE2 3.64Å; H365-Y377 AromaticContact NE2-CE2 3.63Å |
| 366 | R | 98.4 | Very high | 98.6 | Very high | 120 Ų | 120 | 46 Ų | 46 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.4 | -178.6 | 170.3 | -69.7 | 131.1 | 3 | 112.4 | A362 S363 F364 L368 G369 A374 E378 | A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 PolarHBondContact O-N 3.25Å; S363-R366 WeakPolarHBondContact O-CB 3.43Å; S363-R366 PolarHBondContact O-N 2.67Å; F364-R366 VanDerWaalsContact C-N 3.34Å; F364-R366 PolarHBondContact O-N 3Å; R366-L368 PolarHBondContact O-N 3.34Å; R366-G369 PolarHBondContact O-N 2.91Å; R366-A374 HydrophobicContact CB-CB 4.17Å; R366-E378 IonicContact CZ-OE1 3.42Å; R366-E378 IonicContact NH1-OE1 3.86Å; R366-E378 PolarHBondContact NH1-OE1 2.98Å; R366-E378 IonicContact NH2-OE1 2.63Å; R366-E378 PolarHBondContact NH2-OE1 3.48Å; R366-E378 IonicContact NH2-OE2 3.67Å; R366-E378 PolarHBondContact NH2-OE2 2.81Å |
| 367 | L | 98.1 | Very high | 98.6 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -33.2 | 176.5 | -74.7 | 169.2 | 0 | 0 | 0 | 112.3 | Y234 L243 S363 F364 | Y234-L367 HydrophobicContact CD1-CD1 4.49Å; Y234-L367 HydrophobicContact CE1-CD1 3.79Å; L243-L367 HydrophobicContact CD2-CD1 4.37Å; S363-L367 WeakPolarHBondContact O-CB 3.49Å; S363-L367 WeakPolarHBondContact O-CG 3.5Å; S363-L367 PolarHBondContact O-N 3.01Å; F364-L367 HydrophobicContact CD1-CD1 4.42Å; F364-L367 PolarHBondContact O-N 3.48Å |
| 368 | L | 98.1 | Very high | 98.6 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.7 | 177.5 | -62.7 | 177.1 | 0 | 0 | 0 | 113.7 | L243 R244 L247 F364 H365 R366 | L243-L368 HydrophobicContact CG-CD1 4.44Å; R244-L368 HydrophobicContact CB-CD1 4.14Å; R244-L368 HydrophobicContact CB-CD2 4.18Å; L247-L368 HydrophobicContact CD2-CD1 3.76Å; F364-L368 WeakPolarHBondContact O-CG 3.48Å; F364-L368 PolarHBondContact O-N 3.2Å; H365-L368 CarbonylContact O-C 3.58Å; H365-L368 PolarHBondContact O-N 2.86Å; R366-L368 PolarHBondContact O-N 3.34Å |
| 369 | G | 97.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 59% | 0.588 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 8.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | H365 R366 N371 | H365-G369 PolarHBondContact O-N 3.18Å; H365-G369 VanDerWaalsContact O-N 3.12Å; R366-G369 PolarHBondContact O-N 2.91Å; G369-N371 PolarHBondContact O-N 3.24Å |
| 370 | N | 97.9 | Very high | 98.6 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | trans | -94.5 | 80.9 | 178 | -173.3 | -4.6 | 0 | 0 | 0 | 111.7 | H365 E372 S373 A374 | H365-N370 HydrophobicContact CB-CB 4.28Å; H365-N370 PolarHBondContact ND1-ND2 2.91Å; H365-N370 PolarHBondContact O-N 3.33Å; N370-E372 VanDerWaalsContact C-N 3.31Å; N370-E372 PolarHBondContact O-N 3.14Å; N370-E372 PolarHBondContact OD1-N 2.92Å; N370-S373 VanDerWaalsContact ND2-CB 3.3Å; N370-S373 WeakPolarHBondContact ND2-CB 3.43Å; N370-S373 PolarHBondContact ND2-OG 2.69Å; N370-S373 PolarHBondContact OD1-N 3.17Å; N370-S373 VanDerWaalsContact OD1-N 3.16Å; N370-A374 WeakPolarHBondContact O-CB 3.45Å; N370-A374 PolarHBondContact O-N 3.48Å; N370-A374 VanDerWaalsContact O-N 3.1Å | ||
| 371 | N | 98.1 | Very high | 98.6 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.2 | -26.6 | -177.8 | -70.7 | -43.2 | 0 | 0 | 0 | 114.1 | G369 A375 | G369-N371 PolarHBondContact O-N 3.24Å; N371-A375 WeakPolarHBondContact O-CB 3.46Å; N371-A375 PolarHBondContact O-N 2.84Å |
| 372 | E | 98.3 | Very high | 98.5 | Very high | 164 Ų | 164 | 54.9 Ų | 54.9 | 77% | 0.766 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.9 | -51 | 180 | -176 | 177.7 | -179.4 | 0 | 0 | 111.1 | N370 A374 A375 L376 | N370-E372 VanDerWaalsContact C-N 3.31Å; N370-E372 PolarHBondContact O-N 3.14Å; N370-E372 PolarHBondContact OD1-N 2.92Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 2.98Å; E372-A375 PolarHBondContact O-N 2.92Å; E372-L376 PolarHBondContact O-N 3.5Å; E372-L376 VanDerWaalsContact O-N 3.08Å |
| 373 | S | 98.4 | Very high | 98.5 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | H365 N370 A375 L376 Y377 | H365-S373 VanDerWaalsContact CG-CB 3.46Å; H365-S373 WeakPolarHBondContact ND1-CB 3.33Å; N370-S373 VanDerWaalsContact ND2-CB 3.3Å; N370-S373 WeakPolarHBondContact ND2-CB 3.43Å; N370-S373 PolarHBondContact ND2-OG 2.69Å; N370-S373 PolarHBondContact OD1-N 3.17Å; N370-S373 VanDerWaalsContact OD1-N 3.16Å; S373-A375 PolarHBondContact O-N 2.63Å; S373-L376 VanDerWaalsContact O-CB 3.32Å; S373-L376 WeakPolarHBondContact O-CB 3.4Å; S373-L376 PolarHBondContact O-N 3.08Å; S373-L376 VanDerWaalsContact O-N 3.16Å; S373-Y377 VanDerWaalsContact O-CD2 3.23Å; S373-Y377 WeakPolarHBondContact O-CD2 3.35Å; S373-Y377 PolarHBondContact O-N 2.85Å |
| 374 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57 | -49.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A362 H365 R366 N370 E372 L376 Y377 E378 | A362-A374 WeakPolarHBondContact O-CB 3.41Å; H365-A374 HydrophobicContact CB-CB 4.03Å; R366-A374 HydrophobicContact CB-CB 4.17Å; N370-A374 WeakPolarHBondContact O-CB 3.45Å; N370-A374 PolarHBondContact O-N 3.48Å; N370-A374 VanDerWaalsContact O-N 3.1Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 2.98Å; A374-L376 VanDerWaalsContact C-N 3.26Å; A374-L376 PolarHBondContact O-N 3.28Å; A374-Y377 PolarHBondContact O-N 3.09Å; A374-E378 WeakPolarHBondContact O-CG 3.33Å; A374-E378 PolarHBondContact O-N 3.22Å |
| 375 | A | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.2 | -26.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N371 E372 S373 R379 | N371-A375 WeakPolarHBondContact O-CB 3.46Å; N371-A375 PolarHBondContact O-N 2.84Å; E372-A375 PolarHBondContact O-N 2.92Å; S373-A375 PolarHBondContact O-N 2.63Å; A375-R379 WeakPolarHBondContact O-CG 3.16Å; A375-R379 PolarHBondContact O-N 3.02Å; A375-R379 PolarHBondContact O-NE 2.74Å |
| 376 | L | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 45% | 0.45 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -51.8 | 172.1 | -178.9 | 75.1 | 0 | 0 | 0 | 111.1 | E372 S373 A374 R379 A380 | E372-L376 PolarHBondContact O-N 3.5Å; E372-L376 VanDerWaalsContact O-N 3.08Å; S373-L376 VanDerWaalsContact O-CB 3.32Å; S373-L376 WeakPolarHBondContact O-CB 3.4Å; S373-L376 PolarHBondContact O-N 3.08Å; S373-L376 VanDerWaalsContact O-N 3.16Å; A374-L376 VanDerWaalsContact C-N 3.26Å; A374-L376 PolarHBondContact O-N 3.28Å; L376-R379 PolarHBondContact O-N 3.17Å; L376-A380 PolarHBondContact O-N 2.71Å |
| 377 | Y | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.4 | -30 | -177.9 | -71.2 | -71.1 | 0 | 0 | 0 | 113.1 | E251 Y254 E358 L361 H365 S373 A374 R379 A380 A381 | E251-Y377 HydrophobicContact CG-CE2 4.46Å; E251-Y377 VanDerWaalsContact CG-OH 3.26Å; E251-Y377 WeakPolarHBondContact CG-OH 3.47Å; E251-Y377 WeakPolarHBondContact OE1-CE2 3.46Å; E251-Y377 VanDerWaalsContact OE1-CZ 3.3Å; E251-Y377 PolarHBondContact OE1-OH 3.03Å; Y254-Y377 AromaticContact CD1-CE1 3.72Å; Y254-Y377 HydrophobicContact CD1-CE1 3.72Å; Y254-Y377 HydrophobicContact CE1-CD1 4.25Å; Y254-Y377 AromaticContact CE1-CE1 3.63Å; Y254-Y377 HydrophobicContact CE1-CE1 3.63Å; E358-Y377 WeakPolarHBondContact O-CB 3.16Å; L361-Y377 HydrophobicContact CB-CD1 3.91Å; L361-Y377 HydrophobicContact CB-CD2 3.88Å; L361-Y377 HydrophobicContact CB-CE1 4.18Å; L361-Y377 HydrophobicContact CB-CE2 4.16Å; L361-Y377 HydrophobicContact CB-CG 3.77Å; L361-Y377 HydrophobicContact CD1-CD1 3.84Å; L361-Y377 HydrophobicContact CD1-CE1 3.51Å; L361-Y377 HydrophobicContact CG-CE1 4.47Å; H365-Y377 AromaticContact CD2-CD2 3.75Å; H365-Y377 AromaticContact CD2-CE2 3.64Å; H365-Y377 AromaticContact NE2-CE2 3.63Å; S373-Y377 VanDerWaalsContact O-CD2 3.23Å; S373-Y377 WeakPolarHBondContact O-CD2 3.35Å; S373-Y377 PolarHBondContact O-N 2.85Å; A374-Y377 PolarHBondContact O-N 3.09Å; Y377-R379 VanDerWaalsContact C-N 3.31Å; Y377-R379 PolarHBondContact O-N 3.37Å; Y377-A380 WeakPolarHBondContact O-CB 3.16Å; Y377-A380 PolarHBondContact O-N 3.49Å; Y377-A380 VanDerWaalsContact O-N 3.12Å; Y377-A381 PolarHBondContact O-N 3.03Å |
| 378 | E | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 170.2 | -73.6 | 176.8 | 154.7 | 0 | 0 | 111.9 | A362 R366 A374 A380 A381 A382 | A362-E378 HydrophobicContact CB-CG 3.74Å; R366-E378 IonicContact CZ-OE1 3.42Å; R366-E378 IonicContact NH1-OE1 3.86Å; R366-E378 PolarHBondContact NH1-OE1 2.98Å; R366-E378 IonicContact NH2-OE1 2.63Å; R366-E378 PolarHBondContact NH2-OE1 3.48Å; R366-E378 IonicContact NH2-OE2 3.67Å; R366-E378 PolarHBondContact NH2-OE2 2.81Å; A374-E378 WeakPolarHBondContact O-CG 3.33Å; A374-E378 PolarHBondContact O-N 3.22Å; E378-A380 VanDerWaalsContact C-N 3.32Å; E378-A381 PolarHBondContact O-N 3.36Å; E378-A382 WeakPolarHBondContact O-CB 3.15Å; E378-A382 PolarHBondContact O-N 2.85Å |
| 379 | R | 98.8 | Very high | 98.4 | Very high | 139 Ų | 139 | 56.7 Ų | 56.7 | 53% | 0.525 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 173.8 | -71.7 | 179 | -68.5 | -168 | 1 | 112.1 | A375 L376 Y377 R383 | A375-R379 WeakPolarHBondContact O-CG 3.16Å; A375-R379 PolarHBondContact O-N 3.02Å; A375-R379 PolarHBondContact O-NE 2.74Å; L376-R379 PolarHBondContact O-N 3.17Å; Y377-R379 VanDerWaalsContact C-N 3.31Å; Y377-R379 PolarHBondContact O-N 3.37Å; R379-R383 WeakPolarHBondContact O-CG 3.38Å; R379-R383 PolarHBondContact O-N 2.65Å; R379-R383 VanDerWaalsContact O-N 3.07Å |
| 380 | A | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -50.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E358 L376 Y377 E378 A382 R383 R384 | E358-A380 HydrophobicContact CB-CB 4.5Å; E358-A380 HydrophobicContact CG-CB 4.03Å; L376-A380 PolarHBondContact O-N 2.71Å; Y377-A380 WeakPolarHBondContact O-CB 3.16Å; Y377-A380 PolarHBondContact O-N 3.49Å; Y377-A380 VanDerWaalsContact O-N 3.12Å; E378-A380 VanDerWaalsContact C-N 3.32Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A380-A382 PolarHBondContact O-N 3.47Å; A380-R383 PolarHBondContact O-N 3.27Å; A380-R383 VanDerWaalsContact O-N 3.15Å; A380-R384 PolarHBondContact O-N 3.23Å |
| 381 | A | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | E358 K359 Y377 E378 R384 M385 | E358-A381 HydrophobicContact CB-CB 3.84Å; E358-A381 VanDerWaalsContact OE2-CA 3.23Å; E358-A381 WeakPolarHBondContact OE2-CA 3.47Å; E358-A381 PolarHBondContact OE2-N 2.75Å; K359-A381 HydrophobicContact CG-CB 3.96Å; Y377-A381 PolarHBondContact O-N 3.03Å; E378-A381 PolarHBondContact O-N 3.36Å; A381-R384 PolarHBondContact O-N 2.87Å; A381-M385 WeakPolarHBondContact O-CB 3.31Å; A381-M385 PolarHBondContact O-N 3.44Å |
| 382 | A | 98.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E378 A380 M385 Q386 | E378-A382 WeakPolarHBondContact O-CB 3.15Å; E378-A382 PolarHBondContact O-N 2.85Å; A380-A382 VanDerWaalsContact C-N 3.32Å; A380-A382 PolarHBondContact O-N 3.47Å; A382-M385 PolarHBondContact O-N 2.86Å; A382-Q386 PolarHBondContact O-N 3.19Å |
| 383 | R | 98.3 | Very high | 98.4 | Very high | 144 Ų | 144 | 40.7 Ų | 40.7 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.7 | -76 | -171.6 | -59.8 | -94.1 | -1.2 | 112.2 | R379 A380 Q386 A387 | R379-R383 WeakPolarHBondContact O-CG 3.38Å; R379-R383 PolarHBondContact O-N 2.65Å; R379-R383 VanDerWaalsContact O-N 3.07Å; A380-R383 PolarHBondContact O-N 3.27Å; A380-R383 VanDerWaalsContact O-N 3.15Å; R383-Q386 PolarHBondContact O-N 3.23Å; R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 3.05Å |
| 384 | R | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.9 | -174.2 | 176.2 | -59 | -85.6 | -1 | 111.6 | M258 L274 N275 N351 C355 E358 A380 A381 Q386 A387 M388 | M258-R384 PolarHBondContact SD-NH2 2.66Å; L274-R384 HydrophobicContact CD2-CG 4.16Å; N275-R384 PolarHBondContact OD1-NH1 2.93Å; N275-R384 PolarHBondContact OD1-NH2 2.97Å; N351-R384 WeakPolarHBondContact O-CD 3.4Å; N351-R384 PolarHBondContact OD1-NH1 2.87Å; C355-R384 HydrophobicContact CB-CG 4.26Å; C355-R384 VanDerWaalsContact N-CD 3.35Å; E358-R384 IonicContact OE1-CZ 3.24Å; E358-R384 VanDerWaalsContact OE1-CZ 3.23Å; E358-R384 IonicContact OE1-NE 2.74Å; E358-R384 PolarHBondContact OE1-NE 2.61Å; E358-R384 IonicContact OE1-NH2 3.45Å; E358-R384 PolarHBondContact OE1-NH2 3.12Å; E358-R384 WeakPolarHBondContact OE2-CB 3.41Å; E358-R384 WeakPolarHBondContact OE2-CD 3.31Å; E358-R384 IonicContact OE2-NE 2.79Å; E358-R384 PolarHBondContact OE2-NE 3.21Å; E358-R384 VanDerWaalsContact OE2-NE 3.07Å; A380-R384 PolarHBondContact O-N 3.23Å; A381-R384 PolarHBondContact O-N 2.87Å; R384-Q386 VanDerWaalsContact C-N 3.32Å; R384-Q386 PolarHBondContact O-N 3.05Å; R384-A387 WeakPolarHBondContact O-CB 3.49Å; R384-A387 PolarHBondContact O-N 3.44Å; R384-A387 VanDerWaalsContact O-N 3.13Å; R384-M388 HydrophobicContact CG-CG 4.31Å; R384-M388 HydrophobicContact CG-SD 4.15Å; R384-M388 WeakPolarHBondContact O-CG 3.43Å; R384-M388 PolarHBondContact O-N 3.12Å |
| 385 | M | 98.2 | Very high | 98.3 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 14% | 0.138 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 176 | -171 | -178 | -54.9 | 0 | 0 | 111.2 | A381 A382 A387 M388 E389 S428 | A381-M385 WeakPolarHBondContact O-CB 3.31Å; A381-M385 PolarHBondContact O-N 3.44Å; A382-M385 PolarHBondContact O-N 2.86Å; M385-A387 VanDerWaalsContact C-N 3.35Å; M385-A387 PolarHBondContact O-N 3.3Å; M385-M388 PolarHBondContact O-N 3.22Å; M385-E389 WeakPolarHBondContact O-CG 3.47Å; M385-E389 PolarHBondContact O-N 2.97Å; M385-S428 PolarHBondContact SD-N 2.98Å; M385-S428 VanDerWaalsContact SD-N 3.44Å |
| 386 | Q | 97.5 | Very high | 98.3 | Very high | 119 Ų | 119 | 49.5 Ų | 49.5 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.4 | -43.6 | 174.2 | -173.2 | -175.1 | 21.7 | 0 | 0 | 112.3 | A382 R383 R384 E389 A390 | A382-Q386 PolarHBondContact O-N 3.19Å; R383-Q386 PolarHBondContact O-N 3.23Å; R384-Q386 VanDerWaalsContact C-N 3.32Å; R384-Q386 PolarHBondContact O-N 3.05Å; Q386-E389 PolarHBondContact O-N 2.72Å; Q386-A390 WeakPolarHBondContact O-CB 3.36Å; Q386-A390 PolarHBondContact O-N 3.24Å |
| 387 | A | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H272 L274 R383 R384 M385 E389 A390 L391 | H272-A387 HydrophobicContact CB-CB 3.75Å; L274-A387 HydrophobicContact CD1-CB 4.45Å; L274-A387 HydrophobicContact CD2-CB 3.66Å; L274-A387 HydrophobicContact CG-CB 3.93Å; R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 3.05Å; R384-A387 WeakPolarHBondContact O-CB 3.49Å; R384-A387 PolarHBondContact O-N 3.44Å; R384-A387 VanDerWaalsContact O-N 3.13Å; M385-A387 VanDerWaalsContact C-N 3.35Å; M385-A387 PolarHBondContact O-N 3.3Å; A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 PolarHBondContact O-N 2.86Å; A387-A390 PolarHBondContact O-N 3.24Å; A387-L391 WeakPolarHBondContact O-CB 3.48Å; A387-L391 PolarHBondContact O-N 2.88Å |
| 388 | M | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.5 | -70 | 177.4 | 68.3 | 0 | 0 | 111.6 | L274 N351 A352 C355 R384 M385 L392 W393 P421 | L274-M388 HydrophobicContact CD2-CG 3.94Å; N351-M388 VanDerWaalsContact C-SD 3.58Å; N351-M388 HydrophobicContact CB-CE 4.28Å; N351-M388 HydrophobicContact CB-CG 3.99Å; N351-M388 HydrophobicContact CB-SD 3.93Å; A352-M388 HydrophobicContact CB-CE 3.94Å; C355-M388 HydrophobicContact CB-SD 4.4Å; R384-M388 HydrophobicContact CG-CG 4.31Å; R384-M388 HydrophobicContact CG-SD 4.15Å; R384-M388 WeakPolarHBondContact O-CG 3.43Å; R384-M388 PolarHBondContact O-N 3.12Å; M385-M388 PolarHBondContact O-N 3.22Å; M388-L392 HydrophobicContact CB-CD1 4.29Å; M388-L392 HydrophobicContact CE-CD1 4.5Å; M388-L392 HydrophobicContact CG-CD1 4.03Å; M388-L392 CarbonylContact O-C 3.56Å; M388-L392 WeakPolarHBondContact O-CA 3.48Å; M388-L392 VanDerWaalsContact O-CB 3.25Å; M388-L392 WeakPolarHBondContact O-CB 3.46Å; M388-L392 PolarHBondContact O-N 2.99Å; M388-W393 PolarHBondContact O-N 3.16Å; M388-P421 HydrophobicContact CE-CB 4.27Å; M388-P421 HydrophobicContact CE-CG 3.78Å |
| 389 | E | 97.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.8 | -34.6 | 176.4 | -72.5 | 176.8 | -167.4 | 0 | 0 | 112.8 | M385 Q386 A387 W393 S428 M432 | M385-E389 WeakPolarHBondContact O-CG 3.47Å; M385-E389 PolarHBondContact O-N 2.97Å; Q386-E389 PolarHBondContact O-N 2.72Å; A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 PolarHBondContact O-N 2.86Å; E389-W393 WeakPolarHBondContact O-CB 3.26Å; E389-S428 WeakPolarHBondContact OE1-CB 3.39Å; E389-S428 PolarHBondContact OE1-N 3.38Å; E389-S428 PolarHBondContact OE1-OG 3.47Å; E389-S428 PolarHBondContact OE2-OG 3.15Å; E389-M432 HydrophobicContact CG-CE 3.93Å |
| 390 | A | 97.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 39 Ų | 39 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q386 A387 R410 | Q386-A390 WeakPolarHBondContact O-CB 3.36Å; Q386-A390 PolarHBondContact O-N 3.24Å; A387-A390 PolarHBondContact O-N 3.24Å; A390-R410 PolarHBondContact O-NH2 3.05Å; A390-R410 VanDerWaalsContact O-NH2 3.14Å |
| 391 | L | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -95.8 | -40.1 | -169.8 | -74.2 | 162.3 | 0 | 0 | 0 | 113.4 | V265 A267 H272 L274 L346 A387 Y403 R410 | V265-L391 HydrophobicContact CB-CD1 4.16Å; V265-L391 HydrophobicContact CG1-CD1 4.38Å; V265-L391 HydrophobicContact CG1-CD2 3.89Å; A267-L391 HydrophobicContact CB-CD2 3.52Å; A267-L391 HydrophobicContact CB-CG 4.02Å; H272-L391 HydrophobicContact CB-CD1 3.85Å; L274-L391 HydrophobicContact CD1-CB 4.09Å; L274-L391 HydrophobicContact CD1-CD1 3.61Å; L274-L391 HydrophobicContact CD1-CG 4.49Å; L274-L391 HydrophobicContact CG-CD1 4.29Å; L346-L391 HydrophobicContact CD1-CD1 4.28Å; A387-L391 WeakPolarHBondContact O-CB 3.48Å; A387-L391 PolarHBondContact O-N 2.88Å; L391-Y403 HydrophobicContact CD2-CD1 4.35Å; L391-Y403 HydrophobicContact CD2-CD2 4.1Å; L391-Y403 HydrophobicContact CD2-CE1 4.11Å; L391-Y403 HydrophobicContact CD2-CE2 3.85Å; L391-Y403 HydrophobicContact CD2-CG 4.33Å; L391-Y403 WeakPolarHBondContact O-CD2 3.39Å; L391-R410 WeakPolarHBondContact O-CG 3.33Å; L391-R410 PolarHBondContact O-NE 3.47Å |
| 392 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -28.9 | -166.2 | -47.5 | -177.4 | 0 | 0 | 0 | 113 | L274 L346 V348 N351 M388 W400 F401 | L274-L392 HydrophobicContact CD1-CD1 4.21Å; L274-L392 HydrophobicContact CD1-CD2 4.35Å; L274-L392 HydrophobicContact CD1-CG 4.19Å; L346-L392 HydrophobicContact CB-CD2 4.23Å; V348-L392 HydrophobicContact CG2-CB 4.26Å; V348-L392 HydrophobicContact CG2-CD1 4.17Å; N351-L392 HydrophobicContact CB-CD1 4.39Å; M388-L392 HydrophobicContact CB-CD1 4.29Å; M388-L392 HydrophobicContact CE-CD1 4.5Å; M388-L392 HydrophobicContact CG-CD1 4.03Å; M388-L392 CarbonylContact O-C 3.56Å; M388-L392 WeakPolarHBondContact O-CA 3.48Å; M388-L392 VanDerWaalsContact O-CB 3.25Å; M388-L392 WeakPolarHBondContact O-CB 3.46Å; M388-L392 PolarHBondContact O-N 2.99Å; L392-W400 HydrophobicContact CB-CB 4.47Å; L392-W400 CarbonylContact O-C 3.55Å; L392-W400 VanDerWaalsContact O-CA 3.27Å; L392-W400 WeakPolarHBondContact O-CA 3.37Å; L392-F401 WeakPolarHBondContact CA-O 3.03Å; L392-F401 WeakPolarHBondContact CB-O 3.15Å; L392-F401 PolarHBondContact O-N 3.07Å |
| 393 | W | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.1 | -179.3 | 176.5 | -111 | 0 | 0 | 0 | 112.8 | M388 E389 G398 A399 W400 R410 M432 K435 | M388-W393 PolarHBondContact O-N 3.16Å; E389-W393 WeakPolarHBondContact O-CB 3.26Å; W393-G398 WeakPolarHBondContact CH2-O 3.41Å; W393-G398 WeakPolarHBondContact CZ3-O 3.41Å; W393-A399 VanDerWaalsContact CE3-C 3.45Å; W393-A399 VanDerWaalsContact CZ3-CA 3.48Å; W393-W400 HydrophobicContact CD2-CZ2 4.46Å; W393-W400 AromaticContact CE3-CD2 3.5Å; W393-W400 HydrophobicContact CE3-CD2 3.5Å; W393-W400 AromaticContact CE3-CE2 3.37Å; W393-W400 AromaticContact CE3-CE3 3.89Å; W393-W400 HydrophobicContact CE3-CE3 3.89Å; W393-W400 AromaticContact CE3-CG 3.97Å; W393-W400 HydrophobicContact CE3-CG 3.97Å; W393-W400 AromaticContact CE3-CH2 4Å; W393-W400 HydrophobicContact CE3-CH2 4Å; W393-W400 AromaticContact CE3-CZ2 3.62Å; W393-W400 HydrophobicContact CE3-CZ2 3.62Å; W393-W400 HydrophobicContact CE3-CZ3 4.13Å; W393-W400 AromaticContact CE3-NE1 3.78Å; W393-W400 HydrophobicContact CH2-CH2 4.41Å; W393-W400 AromaticContact CZ3-CD2 3.86Å; W393-W400 HydrophobicContact CZ3-CD2 3.86Å; W393-W400 AromaticContact CZ3-CE2 3.85Å; W393-W400 AromaticContact CZ3-CE3 3.74Å; W393-W400 HydrophobicContact CZ3-CE3 3.74Å; W393-W400 AromaticContact CZ3-CH2 3.59Å; W393-W400 HydrophobicContact CZ3-CH2 3.59Å; W393-W400 AromaticContact CZ3-CZ2 3.71Å; W393-W400 HydrophobicContact CZ3-CZ2 3.71Å; W393-W400 AromaticContact CZ3-CZ3 3.61Å; W393-W400 HydrophobicContact CZ3-CZ3 3.61Å; W393-R410 PolarHBondContact O-NE 2.79Å; W393-R410 PolarHBondContact O-NH1 2.79Å; W393-R410 PolarHBondContact O-NH2 2.84Å; W393-M432 HydrophobicContact CB-CE 4.36Å; W393-M432 HydrophobicContact CD2-CE 3.33Å; W393-M432 VanDerWaalsContact CE2-CE 3.44Å; W393-M432 HydrophobicContact CE3-CE 3.71Å; W393-M432 HydrophobicContact CG-CE 3.64Å; W393-M432 HydrophobicContact CH2-CB 3.92Å; W393-M432 HydrophobicContact CH2-CE 4.2Å; W393-M432 HydrophobicContact CH2-CG 4.22Å; W393-M432 HydrophobicContact CZ2-CB 4.19Å; W393-M432 HydrophobicContact CZ2-CE 3.9Å; W393-M432 HydrophobicContact CZ2-CG 3.97Å; W393-M432 HydrophobicContact CZ3-CB 4.41Å; W393-M432 HydrophobicContact CZ3-CE 4.11Å; W393-K435 HydrophobicContact CH2-CB 4.04Å; W393-K435 HydrophobicContact CH2-CD 4.45Å; W393-K435 HydrophobicContact CZ2-CB 4.49Å; W393-K435 HydrophobicContact CZ2-CD 4.09Å |
| 394 | D | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109.6 | 169.6 | -167.2 | -105.9 | 0 | 0 | 0 | 110.2 | E396 R397 G398 A399 F401 R410 F412 | D394-E396 VanDerWaalsContact C-N 3.31Å; D394-E396 PolarHBondContact O-N 3.14Å; D394-R397 HydrophobicContact CB-CB 4.38Å; D394-R397 PolarHBondContact O-N 3.18Å; D394-R397 WeakPolarHBondContact OD1-CB 3.44Å; D394-R397 WeakPolarHBondContact OD1-CD 3.35Å; D394-R397 WeakPolarHBondContact OD1-CG 3.28Å; D394-R397 IonicContact OD1-CZ 3.83Å; D394-R397 PolarHBondContact OD1-N 2.75Å; D394-R397 IonicContact OD1-NH1 2.79Å; D394-R397 PolarHBondContact OD1-NH1 2.97Å; D394-G398 WeakPolarHBondContact O-CA 3.34Å; D394-G398 PolarHBondContact O-N 3.09Å; D394-A399 PolarHBondContact N-O 2.9Å; D394-A399 PolarHBondContact O-N 2.76Å; D394-F401 HydrophobicContact CB-CD2 3.77Å; D394-F401 HydrophobicContact CB-CE2 3.78Å; D394-R410 IonicContact OD2-NH1 2.7Å; D394-R410 PolarHBondContact OD2-NH1 3.3Å; D394-F412 HydrophobicContact CB-CE1 4.15Å |
| 395 | A | 97.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 31.2 Ų | 31.2 | 56% | 0.562 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 396 | E | 97.4 | Very high | 97.7 | Very high | 165 Ų | 165 | 34.2 Ų | 34.2 | 77% | 0.771 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -48 | 177.7 | -177.5 | -174.2 | -157.2 | 0 | 0 | 110.7 | D394 | D394-E396 VanDerWaalsContact C-N 3.31Å; D394-E396 PolarHBondContact O-N 3.14Å |
| 397 | R | 97.9 | Very high | 97.5 | Very high | 96 Ų | 96 | 31.1 Ų | 31.1 | 36% | 0.362 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -24.3 | 177.2 | -72.4 | 162 | -175 | 64.8 | 8.5 | 113.1 | D394 F401 Y439 | D394-R397 HydrophobicContact CB-CB 4.38Å; D394-R397 PolarHBondContact O-N 3.18Å; D394-R397 WeakPolarHBondContact OD1-CB 3.44Å; D394-R397 WeakPolarHBondContact OD1-CD 3.35Å; D394-R397 WeakPolarHBondContact OD1-CG 3.28Å; D394-R397 IonicContact OD1-CZ 3.83Å; D394-R397 PolarHBondContact OD1-N 2.75Å; D394-R397 IonicContact OD1-NH1 2.79Å; D394-R397 PolarHBondContact OD1-NH1 2.97Å; R397-F401 HydrophobicContact CB-CE2 3.82Å; R397-F401 HydrophobicContact CB-CZ 3.94Å; R397-F401 HydrophobicContact CG-CE2 4.47Å; R397-F401 HydrophobicContact CG-CZ 4.41Å; R397-Y439 WeakPolarHBondContact O-CB 3.21Å |
| 398 | G | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 31.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W393 D394 K435 A436 | W393-G398 WeakPolarHBondContact CH2-O 3.41Å; W393-G398 WeakPolarHBondContact CZ3-O 3.41Å; D394-G398 WeakPolarHBondContact O-CA 3.34Å; D394-G398 PolarHBondContact O-N 3.09Å; G398-K435 CarbonylContact O-C 3.56Å; G398-K435 VanDerWaalsContact O-C 3.22Å; G398-A436 WeakPolarHBondContact O-CA 3.33Å; G398-A436 PolarHBondContact O-N 3.3Å |
| 399 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W393 D394 F401 L419 Y439 | W393-A399 VanDerWaalsContact CE3-C 3.45Å; W393-A399 VanDerWaalsContact CZ3-CA 3.48Å; D394-A399 PolarHBondContact N-O 2.9Å; D394-A399 PolarHBondContact O-N 2.76Å; A399-F401 HydrophobicContact CB-CE2 3.83Å; A399-F401 HydrophobicContact CB-CZ 3.87Å; A399-F401 WeakPolarHBondContact O-CD2 3.42Å; A399-F401 WeakPolarHBondContact O-CE2 3.11Å; A399-L419 HydrophobicContact CB-CD2 4.43Å; A399-Y439 HydrophobicContact CB-CD1 3.44Å; A399-Y439 VanDerWaalsContact CB-CD1 3.44Å; A399-Y439 HydrophobicContact CB-CD2 3.92Å; A399-Y439 HydrophobicContact CB-CE1 3.73Å; A399-Y439 HydrophobicContact CB-CE2 4.21Å; A399-Y439 HydrophobicContact CB-CG 3.51Å |
| 400 | W | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.4 | 173.3 | -62.7 | -98 | 0 | 0 | 0 | 110.9 | V348 L392 W393 N418 P421 V422 F427 M432 A436 | V348-W400 HydrophobicContact CB-CB 4.46Å; V348-W400 HydrophobicContact CG1-CB 3.61Å; V348-W400 HydrophobicContact CG1-CG 4.44Å; V348-W400 HydrophobicContact CG2-CB 3.91Å; L392-W400 HydrophobicContact CB-CB 4.47Å; L392-W400 CarbonylContact O-C 3.55Å; L392-W400 VanDerWaalsContact O-CA 3.27Å; L392-W400 WeakPolarHBondContact O-CA 3.37Å; W393-W400 HydrophobicContact CD2-CZ2 4.46Å; W393-W400 AromaticContact CE3-CD2 3.5Å; W393-W400 HydrophobicContact CE3-CD2 3.5Å; W393-W400 AromaticContact CE3-CE2 3.37Å; W393-W400 AromaticContact CE3-CE3 3.89Å; W393-W400 HydrophobicContact CE3-CE3 3.89Å; W393-W400 AromaticContact CE3-CG 3.97Å; W393-W400 HydrophobicContact CE3-CG 3.97Å; W393-W400 AromaticContact CE3-CH2 4Å; W393-W400 HydrophobicContact CE3-CH2 4Å; W393-W400 AromaticContact CE3-CZ2 3.62Å; W393-W400 HydrophobicContact CE3-CZ2 3.62Å; W393-W400 HydrophobicContact CE3-CZ3 4.13Å; W393-W400 AromaticContact CE3-NE1 3.78Å; W393-W400 HydrophobicContact CH2-CH2 4.41Å; W393-W400 AromaticContact CZ3-CD2 3.86Å; W393-W400 HydrophobicContact CZ3-CD2 3.86Å; W393-W400 AromaticContact CZ3-CE2 3.85Å; W393-W400 AromaticContact CZ3-CE3 3.74Å; W393-W400 HydrophobicContact CZ3-CE3 3.74Å; W393-W400 AromaticContact CZ3-CH2 3.59Å; W393-W400 HydrophobicContact CZ3-CH2 3.59Å; W393-W400 AromaticContact CZ3-CZ2 3.71Å; W393-W400 HydrophobicContact CZ3-CZ2 3.71Å; W393-W400 AromaticContact CZ3-CZ3 3.61Å; W393-W400 HydrophobicContact CZ3-CZ3 3.61Å; W400-N418 WeakPolarHBondContact O-CA 3.27Å; W400-N418 WeakPolarHBondContact O-CB 3.36Å; W400-N418 VanDerWaalsContact O-CG 3.31Å; W400-N418 PolarHBondContact O-ND2 3.02Å; W400-P421 HydrophobicContact CB-CG 4.07Å; W400-P421 HydrophobicContact CD2-CB 3.72Å; W400-P421 HydrophobicContact CD2-CG 3.52Å; W400-P421 HydrophobicContact CE3-CB 3.82Å; W400-P421 HydrophobicContact CE3-CG 3.79Å; W400-P421 HydrophobicContact CG-CB 4.32Å; W400-P421 HydrophobicContact CG-CG 3.65Å; W400-P421 HydrophobicContact CH2-CB 4.13Å; W400-P421 HydrophobicContact CZ2-CB 4.02Å; W400-P421 HydrophobicContact CZ3-CB 4.02Å; W400-P421 HydrophobicContact CZ3-CG 4.47Å; W400-V422 HydrophobicContact CZ3-CG2 3.94Å; W400-F427 HydrophobicContact CH2-CB 3.97Å; W400-F427 HydrophobicContact CH2-CD1 4.21Å; W400-F427 HydrophobicContact CH2-CG 4.23Å; W400-F427 HydrophobicContact CZ2-CB 3.58Å; W400-F427 HydrophobicContact CZ2-CG 4.33Å; W400-M432 HydrophobicContact CH2-CB 4.02Å; W400-M432 HydrophobicContact CH2-CE 4.36Å; W400-M432 HydrophobicContact CZ2-CB 4.26Å; W400-M432 HydrophobicContact CZ2-CE 3.51Å; W400-A436 HydrophobicContact CZ3-CB 3.89Å |
| 401 | F | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -133.9 | 144.4 | -176.3 | -63.9 | -79.9 | 0 | 0 | 0 | 109.7 | V348 L392 D394 R397 A399 R410 H411 F412 N418 Y439 | V348-F401 WeakPolarHBondContact CG2-O 3.49Å; L392-F401 WeakPolarHBondContact CA-O 3.03Å; L392-F401 WeakPolarHBondContact CB-O 3.15Å; L392-F401 PolarHBondContact O-N 3.07Å; D394-F401 HydrophobicContact CB-CD2 3.77Å; D394-F401 HydrophobicContact CB-CE2 3.78Å; R397-F401 HydrophobicContact CB-CE2 3.82Å; R397-F401 HydrophobicContact CB-CZ 3.94Å; R397-F401 HydrophobicContact CG-CE2 4.47Å; R397-F401 HydrophobicContact CG-CZ 4.41Å; A399-F401 HydrophobicContact CB-CE2 3.83Å; A399-F401 HydrophobicContact CB-CZ 3.87Å; A399-F401 WeakPolarHBondContact O-CD2 3.42Å; A399-F401 WeakPolarHBondContact O-CE2 3.11Å; F401-R410 HydrophobicContact CB-CB 3.97Å; F401-R410 HydrophobicContact CB-CG 4.41Å; F401-H411 WeakPolarHBondContact CB-O 3.46Å; F401-H411 WeakPolarHBondContact CD1-O 3.43Å; F401-F412 HydrophobicContact CD1-CD1 4.16Å; F401-F412 AromaticContact CD2-CD1 3.91Å; F401-F412 HydrophobicContact CD2-CD1 3.91Å; F401-F412 HydrophobicContact CD2-CE1 4.22Å; F401-F412 HydrophobicContact CE1-CD1 4.33Å; F401-F412 HydrophobicContact CE2-CD1 4.12Å; F401-F412 AromaticContact CG-CD1 3.93Å; F401-F412 HydrophobicContact CG-CD1 3.93Å; F401-F412 HydrophobicContact CZ-CD1 4.31Å; F401-N418 WeakPolarHBondContact CD1-ND2 3.48Å; F401-Y439 HydrophobicContact CE1-CE2 4.17Å; F401-Y439 AromaticContact CE1-CZ 3.94Å; F401-Y439 WeakPolarHBondContact CE1-OH 3.38Å; F401-Y439 HydrophobicContact CZ-CD2 4.44Å; F401-Y439 AromaticContact CZ-CE2 3.73Å; F401-Y439 HydrophobicContact CZ-CE2 3.73Å; F401-Y439 AromaticContact CZ-CZ 3.88Å | ||
| 402 | D | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -61.7 | 146.4 | 175.3 | -61.3 | -31.3 | 0 | 0 | 0 | 110 | R324 I345 L346 P347 V348 R410 H411 | R324-D402 WeakPolarHBondContact CG-OD2 3.47Å; R324-D402 IonicContact CZ-OD1 2.64Å; R324-D402 IonicContact CZ-OD2 3.1Å; R324-D402 IonicContact NE-OD1 2.85Å; R324-D402 IonicContact NE-OD2 2.84Å; R324-D402 PolarHBondContact NE-OD2 3.26Å; R324-D402 IonicContact NH2-OD1 3.75Å; R324-D402 PolarHBondContact NH2-OD1 3.17Å; R324-D402 IonicContact NH2-OD2 3.37Å; R324-D402 PolarHBondContact NH2-OD2 3.13Å; I345-D402 HydrophobicContact CG2-CB 3.64Å; L346-D402 WeakPolarHBondContact O-CA 3.39Å; P347-D402 VanDerWaalsContact CA-OD1 3.31Å; P347-D402 WeakPolarHBondContact CA-OD1 3.33Å; V348-D402 WeakPolarHBondContact CG2-OD1 3.49Å; V348-D402 PolarHBondContact N-OD1 3.44Å; D402-R410 WeakPolarHBondContact O-CA 3.31Å; D402-H411 PolarHBondContact O-N 3.45Å | ||
| 403 | Y | 97.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 46 Ų | 46 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.1 | -179.9 | -172 | -88.2 | 0 | 0 | 0 | 110.5 | V265 I345 L346 L391 L405 N408 R410 | V265-Y403 HydrophobicContact CG1-CE1 4.26Å; I345-Y403 WeakPolarHBondContact CA-O 3.15Å; L346-Y403 HydrophobicContact CD1-CD1 4.13Å; L346-Y403 PolarHBondContact N-O 3.07Å; L346-Y403 PolarHBondContact O-N 2.91Å; L391-Y403 HydrophobicContact CD2-CD1 4.35Å; L391-Y403 HydrophobicContact CD2-CD2 4.1Å; L391-Y403 HydrophobicContact CD2-CE1 4.11Å; L391-Y403 HydrophobicContact CD2-CE2 3.85Å; L391-Y403 HydrophobicContact CD2-CG 4.33Å; L391-Y403 WeakPolarHBondContact O-CD2 3.39Å; Y403-L405 HydrophobicContact CD1-CD2 4.18Å; Y403-L405 HydrophobicContact CE1-CD2 4.36Å; Y403-N408 VanDerWaalsContact CZ-C 3.42Å; Y403-N408 VanDerWaalsContact OH-C 3.27Å; Y403-N408 VanDerWaalsContact OH-CA 3.27Å; Y403-N408 WeakPolarHBondContact OH-CA 3.33Å; Y403-N408 WeakPolarHBondContact OH-CB 3.14Å; Y403-N408 PolarHBondContact OH-O 2.83Å; Y403-R410 HydrophobicContact CD2-CG 4.13Å |
| 404 | N | 96.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118 | 178.4 | -178.9 | -16.7 | 0 | 0 | 0 | 109.6 | I327 G331 L406 T407 N408 S409 | I327-N404 WeakPolarHBondContact CD1-ND2 3.34Å; G331-N404 PolarHBondContact O-ND2 3.41Å; G331-N404 VanDerWaalsContact O-ND2 3.15Å; N404-L406 VanDerWaalsContact C-N 3.32Å; N404-L406 VanDerWaalsContact OD1-CB 3.31Å; N404-L406 WeakPolarHBondContact OD1-CB 3.33Å; N404-L406 PolarHBondContact OD1-N 3.33Å; N404-T407 WeakPolarHBondContact CB-OG1 3.36Å; N404-T407 VanDerWaalsContact CG-OG1 3.29Å; N404-T407 PolarHBondContact ND2-OG1 3.03Å; N404-T407 PolarHBondContact OD1-N 3.27Å; N404-N408 VanDerWaalsContact O-CA 3.26Å; N404-N408 WeakPolarHBondContact O-CA 3.49Å; N404-N408 PolarHBondContact O-N 2.81Å; N404-S409 PolarHBondContact N-O 3.16Å; N404-S409 PolarHBondContact O-N 2.6Å |
| 405 | L | 95.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.2 | -178.3 | -64.2 | 172 | 0 | 0 | 0 | 113.1 | I263 V265 Q344 L346 Y403 | I263-L405 HydrophobicContact CD1-CD1 4.14Å; V265-L405 HydrophobicContact CG2-CD2 3.74Å; Q344-L405 VanDerWaalsContact O-CB 3.32Å; Q344-L405 WeakPolarHBondContact O-CB 3.45Å; Q344-L405 WeakPolarHBondContact O-CG 3.13Å; Q344-L405 PolarHBondContact O-N 3.27Å; L346-L405 HydrophobicContact CD1-CD2 4.06Å; L346-L405 HydrophobicContact CD2-CD1 4.05Å; L346-L405 HydrophobicContact CD2-CD2 4.15Å; L346-L405 HydrophobicContact CD2-CG 4.37Å; L346-L405 HydrophobicContact CG-CD1 4.43Å; L346-L405 HydrophobicContact CG-CD2 3.9Å; L346-L405 HydrophobicContact CG-CG 4.21Å; Y403-L405 HydrophobicContact CD1-CD2 4.18Å; Y403-L405 HydrophobicContact CE1-CD2 4.36Å |
| 406 | L | 93.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 42 Ų | 42 | 48% | 0.482 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -42.4 | 177.4 | -60.4 | 172.5 | 0 | 0 | 0 | 111.2 | I327 Q344 N404 | I327-L406 HydrophobicContact CD1-CD1 4.41Å; I327-L406 HydrophobicContact CG2-CD1 4.09Å; Q344-L406 HydrophobicContact CB-CD1 4.12Å; Q344-L406 HydrophobicContact CB-CD2 4.39Å; Q344-L406 HydrophobicContact CB-CG 3.9Å; Q344-L406 HydrophobicContact CG-CD1 4.17Å; Q344-L406 HydrophobicContact CG-CD2 4.04Å; Q344-L406 HydrophobicContact CG-CG 4.05Å; N404-L406 VanDerWaalsContact C-N 3.32Å; N404-L406 VanDerWaalsContact OD1-CB 3.31Å; N404-L406 WeakPolarHBondContact OD1-CB 3.33Å; N404-L406 PolarHBondContact OD1-N 3.33Å |
| 407 | T | 93.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -11.3 | -177.3 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | G331 N404 S409 | G331-T407 WeakPolarHBondContact O-CG2 3.46Å; N404-T407 WeakPolarHBondContact CB-OG1 3.36Å; N404-T407 VanDerWaalsContact CG-OG1 3.29Å; N404-T407 PolarHBondContact ND2-OG1 3.03Å; N404-T407 PolarHBondContact OD1-N 3.27Å; T407-S409 VanDerWaalsContact C-N 3.29Å; T407-S409 WeakPolarHBondContact CB-OG 3.47Å; T407-S409 PolarHBondContact O-N 3.03Å; T407-S409 PolarHBondContact OG1-OG 3.43Å |
| 408 | N | 94.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 29.8 Ų | 29.8 | 55% | 0.545 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 45.9 | -171.4 | -67.8 | -60.5 | 0 | 0 | 0 | 112.3 | Y403 N404 | Y403-N408 VanDerWaalsContact CZ-C 3.42Å; Y403-N408 VanDerWaalsContact OH-C 3.27Å; Y403-N408 VanDerWaalsContact OH-CA 3.27Å; Y403-N408 WeakPolarHBondContact OH-CA 3.33Å; Y403-N408 WeakPolarHBondContact OH-CB 3.14Å; Y403-N408 PolarHBondContact OH-O 2.83Å; N404-N408 VanDerWaalsContact O-CA 3.26Å; N404-N408 WeakPolarHBondContact O-CA 3.49Å; N404-N408 PolarHBondContact O-N 2.81Å |
| 409 | S | 93.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 30 Ų | 30 | 38% | 0.378 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 159.2 | -177.7 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | N404 T407 | N404-S409 PolarHBondContact N-O 3.16Å; N404-S409 PolarHBondContact O-N 2.6Å; T407-S409 VanDerWaalsContact C-N 3.29Å; T407-S409 WeakPolarHBondContact CB-OG 3.47Å; T407-S409 PolarHBondContact O-N 3.03Å; T407-S409 PolarHBondContact OG1-OG 3.43Å |
| 410 | R | 95 | Very high | 96.5 | Very high | 71 Ų | 71 | 30.2 Ų | 30.2 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.2 | 174.5 | -66.5 | 173.1 | -154.8 | 125.2 | 3.7 | 110.9 | A390 L391 W393 D394 F401 D402 Y403 F412 | A390-R410 PolarHBondContact O-NH2 3.05Å; A390-R410 VanDerWaalsContact O-NH2 3.14Å; L391-R410 WeakPolarHBondContact O-CG 3.33Å; L391-R410 PolarHBondContact O-NE 3.47Å; W393-R410 PolarHBondContact O-NE 2.79Å; W393-R410 PolarHBondContact O-NH1 2.79Å; W393-R410 PolarHBondContact O-NH2 2.84Å; D394-R410 IonicContact OD2-NH1 2.7Å; D394-R410 PolarHBondContact OD2-NH1 3.3Å; F401-R410 HydrophobicContact CB-CB 3.97Å; F401-R410 HydrophobicContact CB-CG 4.41Å; D402-R410 WeakPolarHBondContact O-CA 3.31Å; Y403-R410 HydrophobicContact CD2-CG 4.13Å; R410-F412 HydrophobicContact CB-CD1 4.3Å; R410-F412 HydrophobicContact CB-CE1 3.75Å; R410-F412 HydrophobicContact CB-CZ 4.09Å |
| 411 | H | 91.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | trans | -95.6 | 111.8 | 172.3 | 177.9 | -142.6 | 0 | 0 | 0 | 110.9 | N333 F401 D402 A413 Y415 | N333-H411 WeakPolarHBondContact CB-CE1 3.34Å; N333-H411 WeakPolarHBondContact CB-NE2 3.46Å; N333-H411 VanDerWaalsContact CG-CE1 3.43Å; N333-H411 PolarHBondContact ND2-CE1 2.98Å; N333-H411 PolarHBondContact ND2-ND1 2.62Å; F401-H411 WeakPolarHBondContact CB-O 3.46Å; F401-H411 WeakPolarHBondContact CD1-O 3.43Å; D402-H411 PolarHBondContact O-N 3.45Å; H411-A413 VanDerWaalsContact CE1-CB 3.41Å; H411-A413 WeakPolarHBondContact CE1-CB 3.4Å; H411-A413 WeakPolarHBondContact NE2-CB 3.27Å; H411-A413 PolarHBondContact O-N 3.35Å; H411-Y415 AromaticContact CE1-CE2 3.53Å; H411-Y415 AromaticContact ND1-CE2 3.73Å | ||
| 412 | F | 95.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | trans | -87.2 | 7.8 | -170.6 | -60.3 | -54.7 | 0 | 0 | 0 | 116.1 | D394 F401 R410 | D394-F412 HydrophobicContact CB-CE1 4.15Å; F401-F412 HydrophobicContact CD1-CD1 4.16Å; F401-F412 AromaticContact CD2-CD1 3.91Å; F401-F412 HydrophobicContact CD2-CD1 3.91Å; F401-F412 HydrophobicContact CD2-CE1 4.22Å; F401-F412 HydrophobicContact CE1-CD1 4.33Å; F401-F412 HydrophobicContact CE2-CD1 4.12Å; F401-F412 AromaticContact CG-CD1 3.93Å; F401-F412 HydrophobicContact CG-CD1 3.93Å; F401-F412 HydrophobicContact CZ-CD1 4.31Å; R410-F412 HydrophobicContact CB-CD1 4.3Å; R410-F412 HydrophobicContact CB-CE1 3.75Å; R410-F412 HydrophobicContact CB-CZ 4.09Å | ||
| 413 | A | 95.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -70.2 | 150.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | H411 Y415 N418 | H411-A413 VanDerWaalsContact CE1-CB 3.41Å; H411-A413 WeakPolarHBondContact CE1-CB 3.4Å; H411-A413 WeakPolarHBondContact NE2-CB 3.27Å; H411-A413 PolarHBondContact O-N 3.35Å; A413-Y415 HydrophobicContact CB-CE2 3.88Å; A413-Y415 PolarHBondContact O-N 3.44Å; A413-N418 PolarHBondContact O-OD1 3.42Å |
| 414 | F | 98.1 | Very high | 96.6 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | trans | -72.4 | 125.6 | 176.3 | 178.9 | -88.1 | 0 | 0 | 0 | 111 | N418 Y439 L440 S443 A445 V452 S455 L456 | F414-N418 WeakPolarHBondContact CA-OD1 3.45Å; F414-Y439 AromaticContact CD2-CE1 3.79Å; F414-Y439 HydrophobicContact CD2-CE1 3.79Å; F414-Y439 AromaticContact CD2-CZ 3.9Å; F414-Y439 HydrophobicContact CE2-CE1 4.08Å; F414-L440 HydrophobicContact CE2-CD1 3.95Å; F414-L440 HydrophobicContact CZ-CD1 4.05Å; F414-S443 WeakPolarHBondContact CD2-OG 3.36Å; F414-S443 WeakPolarHBondContact CE2-OG 3.23Å; F414-A445 HydrophobicContact CD1-CB 3.88Å; F414-A445 HydrophobicContact CD2-CB 4.2Å; F414-A445 HydrophobicContact CE1-CB 3.31Å; F414-A445 HydrophobicContact CE2-CB 3.68Å; F414-A445 HydrophobicContact CG-CB 4.3Å; F414-A445 HydrophobicContact CZ-CB 3.2Å; F414-V452 HydrophobicContact CE1-CG1 4.26Å; F414-V452 HydrophobicContact CZ-CG1 4.04Å; F414-S455 WeakPolarHBondContact O-CA 3.21Å; F414-L456 HydrophobicContact CB-CD1 3.88Å; F414-L456 HydrophobicContact CB-CG 4.18Å; F414-L456 HydrophobicContact CD1-CD1 4.25Å; F414-L456 HydrophobicContact CD1-CG 3.91Å; F414-L456 HydrophobicContact CG-CD1 4.15Å; F414-L456 HydrophobicContact CG-CG 4.29Å | ||
| 415 | Y | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -132.7 | 145.6 | 160.7 | -62.8 | -83.2 | 0 | 0 | 0 | 108.7 | W319 S323 R324 H411 A413 S417 N418 T454 S455 | W319-Y415 HydrophobicContact CZ3-CD1 4.06Å; S323-Y415 VanDerWaalsContact C-OH 3.31Å; S323-Y415 PolarHBondContact OG-OH 2.92Å; S323-Y415 VanDerWaalsContact OG-OH 3.1Å; R324-Y415 VanDerWaalsContact CA-CZ 3.44Å; R324-Y415 VanDerWaalsContact CA-OH 3.28Å; R324-Y415 WeakPolarHBondContact CA-OH 3.44Å; R324-Y415 HydrophobicContact CB-CD1 4.02Å; R324-Y415 HydrophobicContact CB-CE1 3.55Å; R324-Y415 HydrophobicContact CB-CE2 4.18Å; R324-Y415 HydrophobicContact CG-CD1 4.17Å; R324-Y415 HydrophobicContact CG-CD2 4.11Å; R324-Y415 HydrophobicContact CG-CE1 4.09Å; R324-Y415 HydrophobicContact CG-CE2 4.03Å; R324-Y415 HydrophobicContact CG-CG 4.19Å; R324-Y415 PolarHBondContact N-OH 3.43Å; H411-Y415 AromaticContact CE1-CE2 3.53Å; H411-Y415 AromaticContact ND1-CE2 3.73Å; A413-Y415 HydrophobicContact CB-CE2 3.88Å; A413-Y415 PolarHBondContact O-N 3.44Å; Y415-S417 WeakPolarHBondContact CB-OG 3.46Å; Y415-S417 PolarHBondContact O-N 3.18Å; Y415-N418 PolarHBondContact N-OD1 3.1Å; Y415-N418 VanDerWaalsContact O-CB 3.24Å; Y415-N418 WeakPolarHBondContact O-CB 3.42Å; Y415-N418 PolarHBondContact O-N 3.49Å; Y415-N418 PolarHBondContact O-OD1 2.65Å; Y415-T454 VanDerWaalsContact CA-O 3.3Å; Y415-T454 WeakPolarHBondContact CA-O 3.44Å; Y415-S455 VanDerWaalsContact CD1-CB 3.47Å; Y415-S455 VanDerWaalsContact CE1-CB 3.42Å |
| 416 | A | 98.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -56.9 | -27.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N418 L419 T454 L472 | A416-N418 PolarHBondContact O-N 2.87Å; A416-L419 PolarHBondContact O-N 3.39Å; A416-T454 PolarHBondContact N-O 3.33Å; A416-L472 HydrophobicContact CB-CB 4.23Å; A416-L472 HydrophobicContact CB-CD1 4.23Å |
| 417 | S | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -62.7 | -19.9 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | R324 V348 Y415 L419 A420 | R324-S417 VanDerWaalsContact CZ-OG 3.22Å; R324-S417 PolarHBondContact NH1-OG 3.39Å; R324-S417 PolarHBondContact NH2-OG 3.26Å; V348-S417 VanDerWaalsContact CG1-O 3.27Å; V348-S417 WeakPolarHBondContact CG1-O 3.29Å; Y415-S417 WeakPolarHBondContact CB-OG 3.46Å; Y415-S417 PolarHBondContact O-N 3.18Å; S417-L419 PolarHBondContact O-N 3.32Å; S417-A420 VanDerWaalsContact O-CB 3.29Å; S417-A420 WeakPolarHBondContact O-CB 3.31Å; S417-A420 PolarHBondContact O-N 3.49Å |
| 418 | N | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -54.3 | -26.7 | 172.7 | -64.7 | 139.6 | 0 | 0 | 0 | 112 | W400 F401 A413 F414 Y415 A416 Y439 | W400-N418 WeakPolarHBondContact O-CA 3.27Å; W400-N418 WeakPolarHBondContact O-CB 3.36Å; W400-N418 VanDerWaalsContact O-CG 3.31Å; W400-N418 PolarHBondContact O-ND2 3.02Å; F401-N418 WeakPolarHBondContact CD1-ND2 3.48Å; A413-N418 PolarHBondContact O-OD1 3.42Å; F414-N418 WeakPolarHBondContact CA-OD1 3.45Å; Y415-N418 PolarHBondContact N-OD1 3.1Å; Y415-N418 VanDerWaalsContact O-CB 3.24Å; Y415-N418 WeakPolarHBondContact O-CB 3.42Å; Y415-N418 PolarHBondContact O-N 3.49Å; Y415-N418 PolarHBondContact O-OD1 2.65Å; A416-N418 PolarHBondContact O-N 2.87Å; N418-Y439 HydrophobicContact CB-CE1 4.1Å; N418-Y439 PolarHBondContact OD1-OH 3.44Å |
| 419 | L | 98.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -103.6 | 3.2 | -177.7 | -51.1 | -161.5 | 0 | 0 | 0 | 114.1 | A399 A416 S417 V422 A436 Y439 L440 L476 | A399-L419 HydrophobicContact CB-CD2 4.43Å; A416-L419 PolarHBondContact O-N 3.39Å; S417-L419 PolarHBondContact O-N 3.32Å; L419-V422 VanDerWaalsContact O-CB 3.32Å; L419-V422 WeakPolarHBondContact O-CB 3.18Å; L419-V422 PolarHBondContact O-N 2.85Å; L419-A436 HydrophobicContact CD2-CB 4Å; L419-Y439 HydrophobicContact CD2-CD1 3.87Å; L419-Y439 HydrophobicContact CD2-CE1 4.22Å; L419-L440 HydrophobicContact CD1-CB 3.79Å; L419-L440 HydrophobicContact CD1-CD1 4.05Å; L419-L440 HydrophobicContact CD1-CD2 3.87Å; L419-L440 HydrophobicContact CD1-CG 4.1Å; L419-L476 HydrophobicContact CB-CD1 4.28Å; L419-L476 HydrophobicContact CD1-CD1 3.68Å; L419-L476 HydrophobicContact CG-CD1 4.5Å |
| 420 | A | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -33.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | D349 A352 S417 V422 W423 A424 M475 | D349-A420 HydrophobicContact CB-CB 3.95Å; A352-A420 HydrophobicContact CB-CB 4.06Å; S417-A420 VanDerWaalsContact O-CB 3.29Å; S417-A420 WeakPolarHBondContact O-CB 3.31Å; S417-A420 PolarHBondContact O-N 3.49Å; A420-V422 VanDerWaalsContact C-N 3.25Å; A420-V422 PolarHBondContact O-N 2.93Å; A420-W423 WeakPolarHBondContact O-CB 2.92Å; A420-W423 PolarHBondContact O-N 3.39Å; A420-A424 WeakPolarHBondContact O-CB 3.47Å; A420-A424 PolarHBondContact O-N 2.91Å; A420-M475 HydrophobicContact CB-CE 4.18Å |
| 421 | P | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -27.4 | 175.3 | -26 | 39.1 | 0 | 0 | 0 | 113.7 | V348 A352 M388 W400 Q425 C426 F427 | V348-P421 HydrophobicContact CG1-CG 3.56Å; A352-P421 HydrophobicContact CB-CB 4.49Å; A352-P421 HydrophobicContact CB-CG 4.09Å; M388-P421 HydrophobicContact CE-CB 4.27Å; M388-P421 HydrophobicContact CE-CG 3.78Å; W400-P421 HydrophobicContact CB-CG 4.07Å; W400-P421 HydrophobicContact CD2-CB 3.72Å; W400-P421 HydrophobicContact CD2-CG 3.52Å; W400-P421 HydrophobicContact CE3-CB 3.82Å; W400-P421 HydrophobicContact CE3-CG 3.79Å; W400-P421 HydrophobicContact CG-CB 4.32Å; W400-P421 HydrophobicContact CG-CG 3.65Å; W400-P421 HydrophobicContact CH2-CB 4.13Å; W400-P421 HydrophobicContact CZ2-CB 4.02Å; W400-P421 HydrophobicContact CZ3-CB 4.02Å; W400-P421 HydrophobicContact CZ3-CG 4.47Å; P421-Q425 WeakPolarHBondContact O-CA 3.48Å; P421-Q425 PolarHBondContact O-N 3.12Å; P421-C426 PolarHBondContact O-N 3.35Å; P421-F427 WeakPolarHBondContact O-CD1 3.2Å |
| 422 | V | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -49 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | W400 L419 A420 Q425 A436 L483 | W400-V422 HydrophobicContact CZ3-CG2 3.94Å; L419-V422 VanDerWaalsContact O-CB 3.32Å; L419-V422 WeakPolarHBondContact O-CB 3.18Å; L419-V422 PolarHBondContact O-N 2.85Å; A420-V422 VanDerWaalsContact C-N 3.25Å; A420-V422 PolarHBondContact O-N 2.93Å; V422-Q425 PolarHBondContact O-N 3.49Å; V422-Q425 VanDerWaalsContact O-N 3.13Å; V422-A436 HydrophobicContact CG2-CB 3.72Å; V422-L483 HydrophobicContact CG1-CD2 3.87Å; V422-L483 HydrophobicContact CG1-CG 4.24Å |
| 423 | W | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.7 | 170.5 | 76.7 | 0 | 0 | 0 | 113.1 | F225 L228 L353 A420 Q425 M475 E478 | F225-W423 HydrophobicContact CD1-CH2 4.41Å; F225-W423 AromaticContact CE1-CH2 3.48Å; F225-W423 HydrophobicContact CE1-CH2 3.48Å; F225-W423 VanDerWaalsContact CE1-CH2 3.48Å; F225-W423 AromaticContact CE1-CZ2 3.82Å; F225-W423 HydrophobicContact CE1-CZ2 3.82Å; F225-W423 AromaticContact CZ-CH2 3.85Å; F225-W423 HydrophobicContact CZ-CH2 3.85Å; F225-W423 HydrophobicContact CZ-CZ2 4.43Å; L228-W423 HydrophobicContact CD2-CH2 3.44Å; L228-W423 VanDerWaalsContact CD2-CH2 3.44Å; L228-W423 HydrophobicContact CD2-CZ2 3.61Å; L353-W423 HydrophobicContact CD1-CH2 3.89Å; L353-W423 HydrophobicContact CD1-CZ3 3.99Å; A420-W423 WeakPolarHBondContact O-CB 2.92Å; A420-W423 PolarHBondContact O-N 3.39Å; W423-Q425 PolarHBondContact O-N 2.88Å; W423-M475 HydrophobicContact CB-CB 4.27Å; W423-M475 WeakPolarHBondContact CB-O 3.24Å; W423-M475 HydrophobicContact CD2-CB 4.25Å; W423-M475 HydrophobicContact CD2-CE 3.81Å; W423-M475 HydrophobicContact CD2-CG 3.94Å; W423-M475 HydrophobicContact CE3-CE 3.47Å; W423-M475 VanDerWaalsContact CE3-CE 3.47Å; W423-M475 HydrophobicContact CG-CB 3.88Å; W423-M475 HydrophobicContact CG-CE 4.41Å; W423-M475 HydrophobicContact CG-CG 4.09Å; W423-M475 HydrophobicContact CH2-CE 4.3Å; W423-M475 HydrophobicContact CZ2-CG 4.31Å; W423-M475 HydrophobicContact CZ3-CE 3.74Å; W423-E478 VanDerWaalsContact CD1-OE2 3.31Å; W423-E478 PolarHBondContact NE1-OE2 3.09Å |
| 424 | A | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.9 | -11.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A352 R356 A420 C426 | A352-A424 HydrophobicContact CB-CB 3.87Å; A352-A424 VanDerWaalsContact O-CB 3.32Å; A352-A424 WeakPolarHBondContact O-CB 3.42Å; R356-A424 HydrophobicContact CB-CB 4.16Å; A420-A424 WeakPolarHBondContact O-CB 3.47Å; A420-A424 PolarHBondContact O-N 2.91Å; A424-C426 HydrophobicContact CB-CB 4.01Å; A424-C426 PolarHBondContact O-N 3.48Å; A424-C426 PolarHBondContact O-SG 3.25Å |
| 425 | Q | 97.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 30.8 Ų | 30.8 | 46% | 0.458 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 43.3 | -169.6 | -63.3 | 179.9 | 81.4 | 0 | 0 | 111.9 | K359 P421 V422 W423 K482 | K359-Q425 PolarHBondContact NZ-O 3.37Å; P421-Q425 WeakPolarHBondContact O-CA 3.48Å; P421-Q425 PolarHBondContact O-N 3.12Å; V422-Q425 PolarHBondContact O-N 3.49Å; V422-Q425 VanDerWaalsContact O-N 3.13Å; W423-Q425 PolarHBondContact O-N 2.88Å; Q425-K482 HydrophobicContact CG-CD 4.45Å |
| 426 | C | 96.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -112.6 | 69 | -172 | -83.5 | 0 | 0 | 0 | 0 | 111.9 | C355 P421 A424 | C355-C426 VanDerWaalsContact C-SG 3.54Å; C355-C426 HydrophobicContact CB-CB 3.73Å; C355-C426 WeakPolarHBondContact CB-SG 3.4Å; C355-C426 WeakPolarHBondContact SG-CB 3.24Å; C355-C426 CovalentContact SG-SG 2.03Å; C355-C426 PolarHBondContact SG-SG 2.81Å; P421-C426 PolarHBondContact O-N 3.35Å; A424-C426 HydrophobicContact CB-CB 4.01Å; A424-C426 PolarHBondContact O-N 3.48Å; A424-C426 PolarHBondContact O-SG 3.25Å | ||
| 427 | F | 96.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | trans | -155.1 | 148.3 | 178.9 | 52.3 | -93.1 | 0 | 0 | 0 | 109.6 | W400 P421 Q429 M432 | W400-F427 HydrophobicContact CH2-CB 3.97Å; W400-F427 HydrophobicContact CH2-CD1 4.21Å; W400-F427 HydrophobicContact CH2-CG 4.23Å; W400-F427 HydrophobicContact CZ2-CB 3.58Å; W400-F427 HydrophobicContact CZ2-CG 4.33Å; P421-F427 WeakPolarHBondContact O-CD1 3.2Å; F427-Q429 VanDerWaalsContact CD2-O 3.27Å; F427-Q429 WeakPolarHBondContact CD2-O 3.36Å; F427-M432 HydrophobicContact CB-CB 4.35Å; F427-M432 HydrophobicContact CB-CE 4.43Å; F427-M432 HydrophobicContact CB-SD 4.05Å; F427-M432 HydrophobicContact CD2-CB 4.27Å; F427-M432 HydrophobicContact CG-CB 4.48Å | ||
| 428 | S | 95.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -83.6 | -28.6 | -169.6 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | M385 E389 | M385-S428 PolarHBondContact SD-N 2.98Å; M385-S428 VanDerWaalsContact SD-N 3.44Å; E389-S428 WeakPolarHBondContact OE1-CB 3.39Å; E389-S428 PolarHBondContact OE1-N 3.38Å; E389-S428 PolarHBondContact OE1-OG 3.47Å; E389-S428 PolarHBondContact OE2-OG 3.15Å |
| 429 | Q | 95.5 | Very high | 97.3 | Very high | 108 Ų | 108 | 35.2 Ų | 35.2 | 51% | 0.505 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -118.1 | 127 | -176.3 | -53.9 | -179 | 23.7 | 0 | 0 | 111.2 | F427 D431 M432 | F427-Q429 VanDerWaalsContact CD2-O 3.27Å; F427-Q429 WeakPolarHBondContact CD2-O 3.36Å; Q429-D431 WeakPolarHBondContact CB-OD1 3.25Å; Q429-D431 PolarHBondContact O-N 3.41Å; Q429-D431 VanDerWaalsContact O-N 3.12Å; Q429-M432 HydrophobicContact CB-CG 4.1Å; Q429-M432 HydrophobicContact CB-SD 4.22Å; Q429-M432 WeakPolarHBondContact O-CB 3.39Å; Q429-M432 WeakPolarHBondContact O-CG 3.48Å; Q429-M432 PolarHBondContact O-N 2.9Å |
| 430 | P | 91.9 | Very high | 97.3 | Very high | 99 Ų | 99 | 34.8 Ų | 34.8 | 64% | 0.643 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -53.7 | -32 | -179.4 | -30 | 36.4 | 0 | 0 | 0 | 115.2 | M432 G433 | P430-M432 PolarHBondContact O-N 3.25Å; P430-G433 PolarHBondContact O-N 3.23Å |
| 431 | D | 95.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.8 | -19.7 | 179.3 | 73.4 | -48.8 | 0 | 0 | 0 | 113.2 | Q429 G433 E434 K435 | Q429-D431 WeakPolarHBondContact CB-OD1 3.25Å; Q429-D431 PolarHBondContact O-N 3.41Å; Q429-D431 VanDerWaalsContact O-N 3.12Å; D431-G433 VanDerWaalsContact C-N 3.32Å; D431-G433 PolarHBondContact O-N 3.42Å; D431-E434 PolarHBondContact O-N 3.37Å; D431-K435 WeakPolarHBondContact O-CG 3.48Å; D431-K435 PolarHBondContact O-N 2.81Å; D431-K435 WeakPolarHBondContact OD2-CE 3.4Å; D431-K435 IonicContact OD2-NZ 3.05Å; D431-K435 PolarHBondContact OD2-NZ 3.26Å |
| 432 | M | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 174.9 | -64.5 | 176.2 | 76.9 | 0 | 0 | 111.7 | E389 W393 W400 F427 Q429 P430 E434 K435 A436 | E389-M432 HydrophobicContact CG-CE 3.93Å; W393-M432 HydrophobicContact CB-CE 4.36Å; W393-M432 HydrophobicContact CD2-CE 3.33Å; W393-M432 VanDerWaalsContact CE2-CE 3.44Å; W393-M432 HydrophobicContact CE3-CE 3.71Å; W393-M432 HydrophobicContact CG-CE 3.64Å; W393-M432 HydrophobicContact CH2-CB 3.92Å; W393-M432 HydrophobicContact CH2-CE 4.2Å; W393-M432 HydrophobicContact CH2-CG 4.22Å; W393-M432 HydrophobicContact CZ2-CB 4.19Å; W393-M432 HydrophobicContact CZ2-CE 3.9Å; W393-M432 HydrophobicContact CZ2-CG 3.97Å; W393-M432 HydrophobicContact CZ3-CB 4.41Å; W393-M432 HydrophobicContact CZ3-CE 4.11Å; W400-M432 HydrophobicContact CH2-CB 4.02Å; W400-M432 HydrophobicContact CH2-CE 4.36Å; W400-M432 HydrophobicContact CZ2-CB 4.26Å; W400-M432 HydrophobicContact CZ2-CE 3.51Å; F427-M432 HydrophobicContact CB-CB 4.35Å; F427-M432 HydrophobicContact CB-CE 4.43Å; F427-M432 HydrophobicContact CB-SD 4.05Å; F427-M432 HydrophobicContact CD2-CB 4.27Å; F427-M432 HydrophobicContact CG-CB 4.48Å; Q429-M432 HydrophobicContact CB-CG 4.1Å; Q429-M432 HydrophobicContact CB-SD 4.22Å; Q429-M432 WeakPolarHBondContact O-CB 3.39Å; Q429-M432 WeakPolarHBondContact O-CG 3.48Å; Q429-M432 PolarHBondContact O-N 2.9Å; P430-M432 PolarHBondContact O-N 3.25Å; M432-E434 VanDerWaalsContact C-N 3.33Å; M432-K435 PolarHBondContact O-N 3.3Å; M432-A436 WeakPolarHBondContact O-CB 3.38Å; M432-A436 PolarHBondContact O-N 2.71Å |
| 433 | G | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | P430 D431 A436 L437 | P430-G433 PolarHBondContact O-N 3.23Å; D431-G433 VanDerWaalsContact C-N 3.32Å; D431-G433 PolarHBondContact O-N 3.42Å; G433-A436 WeakPolarHBondContact O-CB 3.32Å; G433-A436 PolarHBondContact O-N 3.43Å; G433-L437 PolarHBondContact O-N 2.88Å |
| 434 | E | 97 | Very high | 97.2 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.1 | -36.7 | 176.7 | -57.7 | -58.5 | 160.1 | 0 | 0 | 112.2 | D431 M432 A436 L437 Q438 S485 | D431-E434 PolarHBondContact O-N 3.37Å; M432-E434 VanDerWaalsContact C-N 3.33Å; E434-A436 VanDerWaalsContact C-N 3.35Å; E434-L437 WeakPolarHBondContact O-CB 3.03Å; E434-L437 PolarHBondContact O-N 2.87Å; E434-Q438 WeakPolarHBondContact O-CG 3.37Å; E434-Q438 PolarHBondContact O-N 2.98Å; E434-S485 VanDerWaalsContact CD-OG 3.25Å; E434-S485 VanDerWaalsContact OE1-CB 3.3Å; E434-S485 WeakPolarHBondContact OE1-CB 3.12Å; E434-S485 PolarHBondContact OE1-N 2.94Å; E434-S485 PolarHBondContact OE1-OG 3.43Å; E434-S485 WeakPolarHBondContact OE2-CB 3.36Å; E434-S485 PolarHBondContact OE2-OG 2.82Å |
| 435 | K | 98.4 | Very high | 97.2 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -42 | 171.6 | -77.1 | 168.7 | 175.9 | 158.4 | 0 | 111.6 | W393 G398 D431 M432 L437 Q438 Y439 | W393-K435 HydrophobicContact CH2-CB 4.04Å; W393-K435 HydrophobicContact CH2-CD 4.45Å; W393-K435 HydrophobicContact CZ2-CB 4.49Å; W393-K435 HydrophobicContact CZ2-CD 4.09Å; G398-K435 CarbonylContact O-C 3.56Å; G398-K435 VanDerWaalsContact O-C 3.22Å; D431-K435 WeakPolarHBondContact O-CG 3.48Å; D431-K435 PolarHBondContact O-N 2.81Å; D431-K435 WeakPolarHBondContact OD2-CE 3.4Å; D431-K435 IonicContact OD2-NZ 3.05Å; D431-K435 PolarHBondContact OD2-NZ 3.26Å; M432-K435 PolarHBondContact O-N 3.3Å; K435-L437 VanDerWaalsContact C-N 3.31Å; K435-L437 PolarHBondContact O-N 3.47Å; K435-Q438 PolarHBondContact O-N 3.37Å; K435-Q438 VanDerWaalsContact O-N 3.09Å; K435-Y439 PolarHBondContact O-N 2.97Å |
| 436 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G398 W400 L419 V422 M432 G433 E434 Y439 L440 | G398-A436 WeakPolarHBondContact O-CA 3.33Å; G398-A436 PolarHBondContact O-N 3.3Å; W400-A436 HydrophobicContact CZ3-CB 3.89Å; L419-A436 HydrophobicContact CD2-CB 4Å; V422-A436 HydrophobicContact CG2-CB 3.72Å; M432-A436 WeakPolarHBondContact O-CB 3.38Å; M432-A436 PolarHBondContact O-N 2.71Å; G433-A436 WeakPolarHBondContact O-CB 3.32Å; G433-A436 PolarHBondContact O-N 3.43Å; E434-A436 VanDerWaalsContact C-N 3.35Å; A436-Y439 WeakPolarHBondContact O-CB 3.3Å; A436-Y439 PolarHBondContact O-N 3.37Å; A436-L440 PolarHBondContact O-N 3.38Å |
| 437 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 169.6 | 167.5 | 64 | 0 | 0 | 0 | 111.7 | G433 E434 K435 L440 K441 L480 L483 E487 L491 | G433-L437 PolarHBondContact O-N 2.88Å; E434-L437 WeakPolarHBondContact O-CB 3.03Å; E434-L437 PolarHBondContact O-N 2.87Å; K435-L437 VanDerWaalsContact C-N 3.31Å; K435-L437 PolarHBondContact O-N 3.47Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.13Å; L437-K441 HydrophobicContact CD1-CD 4.19Å; L437-K441 HydrophobicContact CD1-CG 4.44Å; L437-K441 HydrophobicContact CG-CD 4.38Å; L437-K441 WeakPolarHBondContact O-CG 3.43Å; L437-K441 PolarHBondContact O-N 3.23Å; L437-K441 VanDerWaalsContact O-N 3.11Å; L437-L480 HydrophobicContact CB-CD2 4.43Å; L437-L480 HydrophobicContact CD1-CD2 3.94Å; L437-L483 HydrophobicContact CB-CD1 4.01Å; L437-L483 HydrophobicContact CD2-CD1 4.22Å; L437-E487 HydrophobicContact CD2-CB 4.26Å; L437-E487 HydrophobicContact CD2-CG 4.11Å; L437-L491 HydrophobicContact CD1-CB 4.48Å; L437-L491 HydrophobicContact CD1-CD2 3.43Å; L437-L491 VanDerWaalsContact CD1-CD2 3.43Å |
| 438 | Q | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 177.2 | -59.3 | -48.7 | -43.9 | 0 | 0 | 112.2 | E434 K435 K441 A442 E487 | E434-Q438 WeakPolarHBondContact O-CG 3.37Å; E434-Q438 PolarHBondContact O-N 2.98Å; K435-Q438 PolarHBondContact O-N 3.37Å; K435-Q438 VanDerWaalsContact O-N 3.09Å; Q438-K441 PolarHBondContact O-N 3.46Å; Q438-A442 WeakPolarHBondContact O-CB 3.45Å; Q438-A442 PolarHBondContact O-N 3.12Å; Q438-E487 PolarHBondContact NE2-OE2 3.31Å |
| 439 | Y | 98.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 171.2 | 167.5 | -101.4 | 0 | 0 | 0 | 111.7 | R397 A399 F401 F414 N418 L419 K435 A436 K441 A442 S443 | R397-Y439 WeakPolarHBondContact O-CB 3.21Å; A399-Y439 HydrophobicContact CB-CD1 3.44Å; A399-Y439 VanDerWaalsContact CB-CD1 3.44Å; A399-Y439 HydrophobicContact CB-CD2 3.92Å; A399-Y439 HydrophobicContact CB-CE1 3.73Å; A399-Y439 HydrophobicContact CB-CE2 4.21Å; A399-Y439 HydrophobicContact CB-CG 3.51Å; F401-Y439 HydrophobicContact CE1-CE2 4.17Å; F401-Y439 AromaticContact CE1-CZ 3.94Å; F401-Y439 WeakPolarHBondContact CE1-OH 3.38Å; F401-Y439 HydrophobicContact CZ-CD2 4.44Å; F401-Y439 AromaticContact CZ-CE2 3.73Å; F401-Y439 HydrophobicContact CZ-CE2 3.73Å; F401-Y439 AromaticContact CZ-CZ 3.88Å; F414-Y439 AromaticContact CD2-CE1 3.79Å; F414-Y439 HydrophobicContact CD2-CE1 3.79Å; F414-Y439 AromaticContact CD2-CZ 3.9Å; F414-Y439 HydrophobicContact CE2-CE1 4.08Å; N418-Y439 HydrophobicContact CB-CE1 4.1Å; N418-Y439 PolarHBondContact OD1-OH 3.44Å; L419-Y439 HydrophobicContact CD2-CD1 3.87Å; L419-Y439 HydrophobicContact CD2-CE1 4.22Å; K435-Y439 PolarHBondContact O-N 2.97Å; A436-Y439 WeakPolarHBondContact O-CB 3.3Å; A436-Y439 PolarHBondContact O-N 3.37Å; Y439-K441 VanDerWaalsContact C-N 3.29Å; Y439-K441 PolarHBondContact O-N 3.03Å; Y439-A442 CarbonylContact O-C 3.48Å; Y439-A442 PolarHBondContact O-N 2.82Å; Y439-A442 VanDerWaalsContact O-N 3.09Å; Y439-S443 WeakPolarHBondContact O-CB 3.44Å; Y439-S443 PolarHBondContact O-N 3.44Å |
| 440 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 178.1 | -178 | 58.7 | 0 | 0 | 0 | 112.3 | F414 L419 A436 L437 A442 S443 A445 L446 L476 L480 L491 | F414-L440 HydrophobicContact CE2-CD1 3.95Å; F414-L440 HydrophobicContact CZ-CD1 4.05Å; L419-L440 HydrophobicContact CD1-CB 3.79Å; L419-L440 HydrophobicContact CD1-CD1 4.05Å; L419-L440 HydrophobicContact CD1-CD2 3.87Å; L419-L440 HydrophobicContact CD1-CG 4.1Å; A436-L440 PolarHBondContact O-N 3.38Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.13Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.47Å; L440-S443 PolarHBondContact O-N 3.05Å; L440-S443 PolarHBondContact O-OG 3.3Å; L440-A445 HydrophobicContact CD1-CB 4.36Å; L440-L446 HydrophobicContact CD1-CD2 4.09Å; L440-L446 HydrophobicContact CD1-CG 4.36Å; L440-L446 HydrophobicContact CD2-CD2 4.1Å; L440-L446 HydrophobicContact CG-CD1 4.16Å; L440-L446 HydrophobicContact CG-CD2 3.91Å; L440-L446 HydrophobicContact CG-CG 4.03Å; L440-L476 HydrophobicContact CD2-CD1 3.84Å; L440-L476 HydrophobicContact CD2-CD2 4.32Å; L440-L476 HydrophobicContact CD2-CG 4.47Å; L440-L480 HydrophobicContact CD2-CD1 3.96Å; L440-L491 HydrophobicContact CD2-CD2 3.98Å |
| 441 | K | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 37.7 Ų | 37.7 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.8 | -32.9 | 178.1 | -71.5 | 169.2 | 60.8 | -157.8 | 0 | 112.6 | L437 Q438 Y439 L446 E487 L491 | L437-K441 HydrophobicContact CD1-CD 4.19Å; L437-K441 HydrophobicContact CD1-CG 4.44Å; L437-K441 HydrophobicContact CG-CD 4.38Å; L437-K441 WeakPolarHBondContact O-CG 3.43Å; L437-K441 PolarHBondContact O-N 3.23Å; L437-K441 VanDerWaalsContact O-N 3.11Å; Q438-K441 PolarHBondContact O-N 3.46Å; Y439-K441 VanDerWaalsContact C-N 3.29Å; Y439-K441 PolarHBondContact O-N 3.03Å; K441-L446 HydrophobicContact CB-CD1 4.42Å; K441-L446 HydrophobicContact CG-CD1 3.91Å; K441-E487 WeakPolarHBondContact CE-OE1 3.28Å; K441-E487 IonicContact NZ-OE1 2.65Å; K441-E487 PolarHBondContact NZ-OE1 3.06Å; K441-E487 IonicContact NZ-OE2 2.74Å; K441-L491 HydrophobicContact CG-CD2 4.45Å |
| 442 | A | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 74% | 0.744 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -86.2 | -13.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q438 Y439 L440 G444 | Q438-A442 WeakPolarHBondContact O-CB 3.45Å; Q438-A442 PolarHBondContact O-N 3.12Å; Y439-A442 CarbonylContact O-C 3.48Å; Y439-A442 PolarHBondContact O-N 2.82Å; Y439-A442 VanDerWaalsContact O-N 3.09Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 3.47Å; A442-G444 VanDerWaalsContact C-N 3.33Å; A442-G444 PolarHBondContact O-N 3.03Å |
| 443 | S | 97.8 | Very high | 97.6 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -76.1 | -17.9 | -171.7 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | F414 Y439 L440 A445 L456 | F414-S443 WeakPolarHBondContact CD2-OG 3.36Å; F414-S443 WeakPolarHBondContact CE2-OG 3.23Å; Y439-S443 WeakPolarHBondContact O-CB 3.44Å; Y439-S443 PolarHBondContact O-N 3.44Å; L440-S443 PolarHBondContact O-N 3.05Å; L440-S443 PolarHBondContact O-OG 3.3Å; S443-A445 VanDerWaalsContact C-N 3.26Å; S443-A445 VanDerWaalsContact OG-CB 3.23Å; S443-A445 WeakPolarHBondContact OG-CB 3.49Å; S443-A445 PolarHBondContact OG-N 3.16Å; S443-A445 VanDerWaalsContact OG-N 3.16Å; S443-L456 WeakPolarHBondContact O-CD1 3.41Å |
| 444 | G | 97.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 82.7 | -3.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A442 L446 D447 | A442-G444 VanDerWaalsContact C-N 3.33Å; A442-G444 PolarHBondContact O-N 3.03Å; G444-L446 PolarHBondContact O-N 2.64Å; G444-D447 WeakPolarHBondContact O-CB 3.49Å; G444-D447 PolarHBondContact O-N 2.59Å |
| 445 | A | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F414 L440 S443 V452 L456 | F414-A445 HydrophobicContact CD1-CB 3.88Å; F414-A445 HydrophobicContact CD2-CB 4.2Å; F414-A445 HydrophobicContact CE1-CB 3.31Å; F414-A445 HydrophobicContact CE2-CB 3.68Å; F414-A445 HydrophobicContact CG-CB 4.3Å; F414-A445 HydrophobicContact CZ-CB 3.2Å; L440-A445 HydrophobicContact CD1-CB 4.36Å; S443-A445 VanDerWaalsContact C-N 3.26Å; S443-A445 VanDerWaalsContact OG-CB 3.23Å; S443-A445 WeakPolarHBondContact OG-CB 3.49Å; S443-A445 PolarHBondContact OG-N 3.16Å; S443-A445 VanDerWaalsContact OG-N 3.16Å; A445-V452 HydrophobicContact CB-CG1 3.88Å; A445-L456 HydrophobicContact CB-CD2 4.37Å |
| 446 | L | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2 | 176.5 | -61.2 | -176.2 | 0 | 0 | 0 | 113.7 | L440 K441 G444 F448 V452 L491 L495 R498 | L440-L446 HydrophobicContact CD1-CD2 4.09Å; L440-L446 HydrophobicContact CD1-CG 4.36Å; L440-L446 HydrophobicContact CD2-CD2 4.1Å; L440-L446 HydrophobicContact CG-CD1 4.16Å; L440-L446 HydrophobicContact CG-CD2 3.91Å; L440-L446 HydrophobicContact CG-CG 4.03Å; K441-L446 HydrophobicContact CB-CD1 4.42Å; K441-L446 HydrophobicContact CG-CD1 3.91Å; G444-L446 PolarHBondContact O-N 2.64Å; L446-F448 PolarHBondContact O-N 3.23Å; L446-V452 HydrophobicContact CD2-CG2 3.89Å; L446-L491 HydrophobicContact CD1-CD1 3.96Å; L446-L491 HydrophobicContact CD1-CD2 3.88Å; L446-L491 HydrophobicContact CD2-CD1 4.4Å; L446-L495 HydrophobicContact CD2-CD1 4.31Å; L446-L495 HydrophobicContact CD2-CD2 4.05Å; L446-R498 PolarHBondContact O-NH1 3.32Å |
| 447 | D | 96.9 | Very high | 97.5 | Very high | 131 Ų | 131 | 35.7 Ų | 35.7 | 70% | 0.701 | 20% | 0.198 | S | C | * | . | trans | -76.4 | -3.9 | -174.5 | -65.8 | -17.2 | 0 | 0 | 0 | 112.9 | G444 | G444-D447 WeakPolarHBondContact O-CB 3.49Å; G444-D447 PolarHBondContact O-N 2.59Å | ||
| 448 | F | 96.6 | Very high | 97.3 | Very high | 30 Ų | 30 | 41 Ų | 41 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | trans | -96.6 | 142.8 | -176.3 | -54.1 | -79.5 | 0 | 0 | 0 | 112.9 | L446 P453 L456 Y465 R498 V519 N520 | L446-F448 PolarHBondContact O-N 3.23Å; F448-P453 VanDerWaalsContact CD2-CD 3.46Å; F448-P453 HydrophobicContact CD2-CG 3.74Å; F448-P453 HydrophobicContact CE2-CG 3.61Å; F448-P453 HydrophobicContact CZ-CG 4.37Å; F448-L456 HydrophobicContact CE2-CD2 3.74Å; F448-L456 HydrophobicContact CZ-CD2 4.14Å; F448-Y465 HydrophobicContact CD1-CE2 4.28Å; F448-Y465 HydrophobicContact CE1-CD2 4.25Å; F448-Y465 AromaticContact CE1-CE2 3.46Å; F448-Y465 HydrophobicContact CE1-CE2 3.46Å; F448-Y465 VanDerWaalsContact CE1-CE2 3.46Å; F448-Y465 HydrophobicContact CZ-CD2 4.1Å; F448-Y465 AromaticContact CZ-CE2 3.72Å; F448-Y465 HydrophobicContact CZ-CE2 3.72Å; F448-R498 PolarHBondContact O-NH1 2.85Å; F448-V519 HydrophobicContact CB-CB 3.79Å; F448-V519 HydrophobicContact CB-CG2 3.91Å; F448-V519 HydrophobicContact CD1-CB 4.35Å; F448-V519 HydrophobicContact CD1-CG2 3.53Å; F448-V519 HydrophobicContact CD2-CG2 4.28Å; F448-V519 HydrophobicContact CE1-CG2 4.13Å; F448-V519 HydrophobicContact CG-CB 4.07Å; F448-V519 HydrophobicContact CG-CG2 3.62Å; F448-N520 WeakPolarHBondContact CD1-OD1 3.21Å | ||
| 449 | P | 94.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 38.6 Ų | 38.6 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -30.1 | -176.9 | 27.3 | -35.1 | 0 | 0 | 0 | 114 | V519 | P449-V519 WeakPolarHBondContact CD-O 3.42Å; P449-V519 WeakPolarHBondContact CG-O 3.21Å |
| 450 | N | 95.4 | Very high | 97 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 21.4 | -162.8 | -58.3 | -36.3 | 0 | 0 | 0 | 114.5 | T502 V519 N520 G521 G523 | N450-T502 VanDerWaalsContact CA-OG1 3.27Å; N450-T502 WeakPolarHBondContact CA-OG1 3.49Å; N450-T502 HydrophobicContact CB-CG2 3.7Å; N450-T502 WeakPolarHBondContact CB-OG1 3.4Å; N450-T502 PolarHBondContact OD1-OG1 3.2Å; N450-V519 WeakPolarHBondContact CB-O 3.46Å; N450-V519 PolarHBondContact N-O 2.8Å; N450-N520 PolarHBondContact ND2-O 2.86Å; N450-G521 PolarHBondContact ND2-O 2.83Å; N450-G523 WeakPolarHBondContact ND2-CA 3.12Å; N450-G523 PolarHBondContact ND2-N 2.97Å |
| 451 | G | 95.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | 130.3 | -172.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 452 | V | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -103.2 | 123.6 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | F414 A445 L446 A468 Q473 L476 L495 | F414-V452 HydrophobicContact CE1-CG1 4.26Å; F414-V452 HydrophobicContact CZ-CG1 4.04Å; A445-V452 HydrophobicContact CB-CG1 3.88Å; L446-V452 HydrophobicContact CD2-CG2 3.89Å; V452-A468 WeakPolarHBondContact O-CB 3.09Å; V452-Q473 PolarHBondContact O-NE2 3.15Å; V452-L476 HydrophobicContact CB-CD2 3.88Å; V452-L476 HydrophobicContact CG1-CD2 4.04Å; V452-L476 HydrophobicContact CG2-CD2 3.58Å; V452-L495 HydrophobicContact CG2-CD1 4.3Å; V452-L495 HydrophobicContact CG2-CD2 3.79Å | ||
| 453 | P | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -68.1 | 156.2 | -178.1 | 30.3 | -36.4 | 0 | 0 | 0 | 110.7 | F448 S455 L456 Y465 N467 V519 | F448-P453 VanDerWaalsContact CD2-CD 3.46Å; F448-P453 HydrophobicContact CD2-CG 3.74Å; F448-P453 HydrophobicContact CE2-CG 3.61Å; F448-P453 HydrophobicContact CZ-CG 4.37Å; P453-S455 VanDerWaalsContact CB-O 3.27Å; P453-S455 WeakPolarHBondContact CB-O 3.33Å; P453-S455 WeakPolarHBondContact CG-O 3.32Å; P453-S455 PolarHBondContact O-N 2.99Å; P453-L456 HydrophobicContact CG-CD2 4.04Å; P453-Y465 HydrophobicContact CB-CD2 4.21Å; P453-Y465 HydrophobicContact CG-CD2 4.45Å; P453-N467 WeakPolarHBondContact CA-O 3.34Å; P453-V519 HydrophobicContact CB-CG1 3.86Å; P453-V519 HydrophobicContact CB-CG2 4.01Å; P453-V519 HydrophobicContact CG-CG2 4.4Å | ||
| 454 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -57.8 | -39.6 | 179 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | W319 Y415 A416 W463 N467 L472 | W319-T454 HydrophobicContact CD2-CG2 4.44Å; W319-T454 HydrophobicContact CE3-CG2 3.62Å; W319-T454 HydrophobicContact CH2-CG2 3.54Å; W319-T454 HydrophobicContact CZ2-CG2 4.35Å; W319-T454 HydrophobicContact CZ3-CG2 3.12Å; Y415-T454 VanDerWaalsContact CA-O 3.3Å; Y415-T454 WeakPolarHBondContact CA-O 3.44Å; A416-T454 PolarHBondContact N-O 3.33Å; T454-W463 VanDerWaalsContact CG2-C 3.47Å; T454-W463 HydrophobicContact CG2-CB 4.18Å; T454-W463 HydrophobicContact CG2-CE3 4.1Å; T454-W463 WeakPolarHBondContact CG2-O 3.39Å; T454-N467 PolarHBondContact N-O 3.41Å; T454-N467 PolarHBondContact OG1-O 2.66Å; T454-L472 HydrophobicContact CG2-CD1 3.75Å |
| 455 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -143.4 | -178.8 | 173.5 | 80.7 | 0 | 0 | 0 | 0 | 110 | F414 Y415 P453 R457 D464 Y465 | F414-S455 WeakPolarHBondContact O-CA 3.21Å; Y415-S455 VanDerWaalsContact CD1-CB 3.47Å; Y415-S455 VanDerWaalsContact CE1-CB 3.42Å; P453-S455 VanDerWaalsContact CB-O 3.27Å; P453-S455 WeakPolarHBondContact CB-O 3.33Å; P453-S455 WeakPolarHBondContact CG-O 3.32Å; P453-S455 PolarHBondContact O-N 2.99Å; S455-R457 PolarHBondContact OG-N 3.15Å; S455-R457 VanDerWaalsContact OG-N 3.12Å; S455-R457 PolarHBondContact OG-O 2.78Å; S455-D464 WeakPolarHBondContact CB-OD1 3.29Å; S455-D464 WeakPolarHBondContact OG-CA 3.47Å; S455-D464 PolarHBondContact OG-OD1 2.87Å; S455-Y465 WeakPolarHBondContact O-CB 3.29Å; S455-Y465 PolarHBondContact OG-N 3.4Å |
| 456 | L | 97.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -104.8 | 10.7 | 170.1 | -65.2 | 174.3 | 0 | 0 | 0 | 113.1 | F414 S443 A445 F448 P453 | F414-L456 HydrophobicContact CB-CD1 3.88Å; F414-L456 HydrophobicContact CB-CG 4.18Å; F414-L456 HydrophobicContact CD1-CD1 4.25Å; F414-L456 HydrophobicContact CD1-CG 3.91Å; F414-L456 HydrophobicContact CG-CD1 4.15Å; F414-L456 HydrophobicContact CG-CG 4.29Å; S443-L456 WeakPolarHBondContact O-CD1 3.41Å; A445-L456 HydrophobicContact CB-CD2 4.37Å; F448-L456 HydrophobicContact CE2-CD2 3.74Å; F448-L456 HydrophobicContact CZ-CD2 4.14Å; P453-L456 HydrophobicContact CG-CD2 4.04Å |
| 457 | R | 95.5 | Very high | 96.9 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | trans | -106.7 | 123.8 | -178 | -178.6 | 169 | 177.4 | -156 | -3.9 | 110 | N333 D334 G335 S455 S459 D464 Y465 | N333-R457 PolarHBondContact O-NH1 3.3Å; D334-R457 VanDerWaalsContact C-NH2 3.31Å; D334-R457 VanDerWaalsContact CA-NH1 3.33Å; D334-R457 PolarHBondContact O-NH2 3.1Å; G335-R457 PolarHBondContact O-NH2 3.39Å; S455-R457 PolarHBondContact OG-N 3.15Å; S455-R457 VanDerWaalsContact OG-N 3.12Å; S455-R457 PolarHBondContact OG-O 2.78Å; R457-S459 PolarHBondContact O-N 2.89Å; R457-D464 WeakPolarHBondContact O-CB 3.41Å; R457-Y465 PolarHBondContact O-N 2.99Å | ||
| 458 | D | 95.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 27.4 Ų | 27.4 | 59% | 0.594 | 15% | 0.152 | S | C | * | . | B | Isolated β-bridge | trans | -80.9 | 101 | 168.8 | -164.9 | -19.2 | 0 | 0 | 0 | 109.2 | G460 Y465 | D458-G460 PolarHBondContact OD1-N 3.23Å; D458-Y465 HydrophobicContact CB-CD1 3.85Å; D458-Y465 HydrophobicContact CB-CE1 4.45Å |
| 459 | S | 95.1 | Very high | 97 | Very high | 33 Ų | 33 | 26 Ų | 26 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | trans | -106.5 | -4.7 | 179.5 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | R457 Q461 D464 | R457-S459 PolarHBondContact O-N 2.89Å; S459-Q461 PolarHBondContact O-N 3.14Å; S459-Q461 VanDerWaalsContact OG-CB 3.26Å; S459-Q461 WeakPolarHBondContact OG-CB 3.5Å; S459-Q461 WeakPolarHBondContact OG-CG 3.26Å; S459-Q461 PolarHBondContact OG-N 2.9Å; S459-Q461 VanDerWaalsContact OG-N 3.09Å; S459-D464 VanDerWaalsContact CB-OD2 3.25Å; S459-D464 WeakPolarHBondContact CB-OD2 3.24Å; S459-D464 WeakPolarHBondContact OG-CB 3.39Å; S459-D464 PolarHBondContact OG-OD2 3.33Å | ||
| 460 | G | 95.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 22.8 Ų | 22.8 | 43% | 0.433 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 72.5 | -2.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D458 G528 G529 | D458-G460 PolarHBondContact OD1-N 3.23Å; G460-G528 WeakPolarHBondContact O-CA 3.23Å; G460-G529 PolarHBondContact O-N 3.02Å |
| 461 | Q | 97 | Very high | 97.3 | Very high | 32 Ų | 32 | 22.4 Ų | 22.4 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -89.3 | 155.8 | 178.2 | -54.6 | -64.3 | -39.6 | 0 | 0 | 111.9 | F321 F326 S459 W463 | F321-Q461 HydrophobicContact CB-CG 4.5Å; F321-Q461 WeakPolarHBondContact O-CB 3.14Å; F326-Q461 HydrophobicContact CE2-CG 3.85Å; F326-Q461 HydrophobicContact CZ-CG 3.78Å; S459-Q461 PolarHBondContact O-N 3.14Å; S459-Q461 VanDerWaalsContact OG-CB 3.26Å; S459-Q461 WeakPolarHBondContact OG-CB 3.5Å; S459-Q461 WeakPolarHBondContact OG-CG 3.26Å; S459-Q461 PolarHBondContact OG-N 2.9Å; S459-Q461 VanDerWaalsContact OG-N 3.09Å; Q461-W463 PolarHBondContact O-N 3.07Å |
| 462 | Q | 96.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.7 | -170.5 | 66.5 | 175.2 | -28.8 | 0 | 0 | 114.6 | D320 D464 N467 W469 K516 G528 Y531 | D320-Q462 WeakPolarHBondContact O-CG 3.23Å; D320-Q462 PolarHBondContact O-NE2 3.29Å; Q462-D464 VanDerWaalsContact C-N 3.29Å; Q462-D464 PolarHBondContact O-N 2.8Å; Q462-N467 WeakPolarHBondContact CA-ND2 3.07Å; Q462-N467 WeakPolarHBondContact O-CB 3.34Å; Q462-N467 PolarHBondContact O-ND2 3.16Å; Q462-W469 HydrophobicContact CB-CZ2 3.93Å; Q462-W469 HydrophobicContact CG-CH2 4.36Å; Q462-W469 HydrophobicContact CG-CZ2 3.87Å; Q462-W469 PolarHBondContact O-NE1 3Å; Q462-K516 HydrophobicContact CB-CD 4.43Å; Q462-G528 WeakPolarHBondContact CB-O 3.41Å; Q462-Y531 PolarHBondContact NE2-OH 3.11Å; Q462-Y531 PolarHBondContact OE1-OH 2.87Å |
| 463 | W | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 45.7 | 176.8 | -69.9 | 94.4 | 0 | 0 | 0 | 111.8 | W174 G318 W319 F321 T322 T454 Q461 W469 P471 L472 W539 | W174-W463 AromaticContact CH2-CH2 3.44Å; W174-W463 HydrophobicContact CH2-CH2 3.44Å; W174-W463 VanDerWaalsContact CH2-CH2 3.44Å; W174-W463 HydrophobicContact CH2-CZ2 4.02Å; W174-W463 HydrophobicContact CH2-CZ3 4.01Å; W174-W463 AromaticContact CZ2-CH2 3.54Å; W174-W463 HydrophobicContact CZ2-CH2 3.54Å; W174-W463 AromaticContact CZ2-CZ2 3.72Å; W174-W463 HydrophobicContact CZ2-CZ2 3.72Å; G318-W463 WeakPolarHBondContact O-CZ2 3.24Å; G318-W463 PolarHBondContact O-NE1 3.08Å; G318-W463 VanDerWaalsContact O-NE1 3.16Å; W319-W463 VanDerWaalsContact CA-CD1 3.47Å; W319-W463 HydrophobicContact CB-CB 4.09Å; W319-W463 HydrophobicContact CB-CD2 4.06Å; W319-W463 HydrophobicContact CB-CE3 4.44Å; W319-W463 HydrophobicContact CB-CG 3.89Å; W319-W463 AromaticContact CD1-CE3 3.93Å; W319-W463 HydrophobicContact CD2-CB 4.33Å; W319-W463 HydrophobicContact CD2-CD2 4.12Å; W319-W463 AromaticContact CD2-CE3 3.63Å; W319-W463 HydrophobicContact CD2-CE3 3.63Å; W319-W463 HydrophobicContact CD2-CG 4.43Å; W319-W463 HydrophobicContact CD2-CZ3 4.29Å; W319-W463 AromaticContact CE2-CE3 3.83Å; W319-W463 HydrophobicContact CE3-CB 4.03Å; W319-W463 HydrophobicContact CE3-CE3 4.15Å; W319-W463 HydrophobicContact CG-CB 4.38Å; W319-W463 AromaticContact CG-CD2 3.85Å; W319-W463 HydrophobicContact CG-CD2 3.85Å; W319-W463 AromaticContact CG-CE3 3.74Å; W319-W463 HydrophobicContact CG-CE3 3.74Å; W319-W463 HydrophobicContact CG-CG 4.13Å; W319-W463 HydrophobicContact CG-CZ3 4.31Å; W319-W463 AromaticContact NE1-CE3 3.95Å; W319-W463 AromaticContact NE1-CZ3 3.84Å; F321-W463 WeakPolarHBondContact O-CB 3.32Å; F321-W463 PolarHBondContact O-N 3.05Å; T322-W463 WeakPolarHBondContact CB-O 3.11Å; T322-W463 HydrophobicContact CG2-CB 4.32Å; T322-W463 PolarHBondContact OG1-O 2.93Å; T454-W463 VanDerWaalsContact CG2-C 3.47Å; T454-W463 HydrophobicContact CG2-CB 4.18Å; T454-W463 HydrophobicContact CG2-CE3 4.1Å; T454-W463 WeakPolarHBondContact CG2-O 3.39Å; Q461-W463 PolarHBondContact O-N 3.07Å; W463-W469 HydrophobicContact CD2-CD2 4.03Å; W463-W469 AromaticContact CD2-CE2 3.68Å; W463-W469 HydrophobicContact CD2-CG 4.36Å; W463-W469 AromaticContact CD2-CZ2 3.94Å; W463-W469 HydrophobicContact CD2-CZ2 3.94Å; W463-W469 AromaticContact CD2-NE1 3.88Å; W463-W469 AromaticContact CE2-CD2 3.86Å; W463-W469 AromaticContact CE2-CE2 3.67Å; W463-W469 AromaticContact CE2-CE3 3.96Å; W463-W469 AromaticContact CE2-CH2 3.71Å; W463-W469 AromaticContact CE2-CZ2 3.59Å; W463-W469 AromaticContact CE2-CZ3 3.87Å; W463-W469 HydrophobicContact CE3-CB 4.42Å; W463-W469 AromaticContact CE3-CD1 3.86Å; W463-W469 AromaticContact CE3-CD2 3.94Å; W463-W469 HydrophobicContact CE3-CD2 3.94Å; W463-W469 AromaticContact CE3-CE2 3.96Å; W463-W469 AromaticContact CE3-CG 3.82Å; W463-W469 HydrophobicContact CE3-CG 3.82Å; W463-W469 AromaticContact CE3-NE1 3.91Å; W463-W469 HydrophobicContact CG-CZ2 4.17Å; W463-W469 HydrophobicContact CH2-CB 4.02Å; W463-W469 AromaticContact CH2-CD2 3.5Å; W463-W469 HydrophobicContact CH2-CD2 3.5Å; W463-W469 AromaticContact CH2-CE3 3.45Å; W463-W469 HydrophobicContact CH2-CE3 3.45Å; W463-W469 VanDerWaalsContact CH2-CE3 3.45Å; W463-W469 AromaticContact CH2-CG 3.79Å; W463-W469 HydrophobicContact CH2-CG 3.79Å; W463-W469 HydrophobicContact CH2-CZ3 4.04Å; W463-W469 AromaticContact CZ2-CD2 3.61Å; W463-W469 HydrophobicContact CZ2-CD2 3.61Å; W463-W469 AromaticContact CZ2-CE2 3.92Å; W463-W469 AromaticContact CZ2-CE3 3.36Å; W463-W469 HydrophobicContact CZ2-CE3 3.36Å; W463-W469 HydrophobicContact CZ2-CG 4.34Å; W463-W469 AromaticContact CZ2-CH2 3.79Å; W463-W469 HydrophobicContact CZ2-CH2 3.79Å; W463-W469 HydrophobicContact CZ2-CZ2 4.01Å; W463-W469 AromaticContact CZ2-CZ3 3.44Å; W463-W469 HydrophobicContact CZ2-CZ3 3.44Å; W463-W469 VanDerWaalsContact CZ2-CZ3 3.44Å; W463-W469 HydrophobicContact CZ3-CB 3.72Å; W463-W469 AromaticContact CZ3-CD2 3.69Å; W463-W469 HydrophobicContact CZ3-CD2 3.69Å; W463-W469 HydrophobicContact CZ3-CE3 4.13Å; W463-W469 AromaticContact CZ3-CG 3.51Å; W463-W469 HydrophobicContact CZ3-CG 3.51Å; W463-W469 AromaticContact NE1-CH2 3.7Å; W463-W469 AromaticContact NE1-CZ2 3.63Å; W463-P471 HydrophobicContact CH2-CG 4.29Å; W463-L472 HydrophobicContact CE3-CD1 4.11Å; W463-L472 HydrophobicContact CZ3-CD1 3.85Å; W463-L472 HydrophobicContact CZ3-CD2 4.49Å; W463-L472 HydrophobicContact CZ3-CG 4.09Å; W463-W539 AromaticContact CH2-CH2 3.89Å; W463-W539 HydrophobicContact CH2-CH2 3.89Å; W463-W539 HydrophobicContact CH2-CZ3 4.22Å; W463-W539 AromaticContact CZ2-CH2 3.84Å; W463-W539 HydrophobicContact CZ2-CH2 3.84Å; W463-W539 HydrophobicContact CZ2-CZ3 4.45Å |
| 464 | D | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -147.2 | 174.4 | 178.2 | -93.5 | -35.7 | 0 | 0 | 0 | 110.5 | T322 S323 S455 R457 S459 Q462 N467 | T322-D464 PolarHBondContact OG1-OD1 3.21Å; S323-D464 WeakPolarHBondContact CB-OD2 3.41Å; S323-D464 PolarHBondContact N-OD2 3.16Å; S323-D464 VanDerWaalsContact OG-CG 3.25Å; S323-D464 PolarHBondContact OG-OD1 3.04Å; S323-D464 PolarHBondContact OG-OD2 3.08Å; S455-D464 WeakPolarHBondContact CB-OD1 3.29Å; S455-D464 WeakPolarHBondContact OG-CA 3.47Å; S455-D464 PolarHBondContact OG-OD1 2.87Å; R457-D464 WeakPolarHBondContact O-CB 3.41Å; S459-D464 VanDerWaalsContact CB-OD2 3.25Å; S459-D464 WeakPolarHBondContact CB-OD2 3.24Å; S459-D464 WeakPolarHBondContact OG-CB 3.39Å; S459-D464 PolarHBondContact OG-OD2 3.33Å; Q462-D464 VanDerWaalsContact C-N 3.29Å; Q462-D464 PolarHBondContact O-N 2.8Å; D464-N467 WeakPolarHBondContact O-CB 3.36Å; D464-N467 PolarHBondContact O-N 2.98Å |
| 465 | Y | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 24% | 0.235 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -54.2 | 136.7 | 170.2 | 175.4 | -90.6 | 0 | 0 | 0 | 110.4 | F448 P453 S455 R457 D458 V519 N520 | F448-Y465 HydrophobicContact CD1-CE2 4.28Å; F448-Y465 HydrophobicContact CE1-CD2 4.25Å; F448-Y465 AromaticContact CE1-CE2 3.46Å; F448-Y465 HydrophobicContact CE1-CE2 3.46Å; F448-Y465 VanDerWaalsContact CE1-CE2 3.46Å; F448-Y465 HydrophobicContact CZ-CD2 4.1Å; F448-Y465 AromaticContact CZ-CE2 3.72Å; F448-Y465 HydrophobicContact CZ-CE2 3.72Å; P453-Y465 HydrophobicContact CB-CD2 4.21Å; P453-Y465 HydrophobicContact CG-CD2 4.45Å; S455-Y465 WeakPolarHBondContact O-CB 3.29Å; S455-Y465 PolarHBondContact OG-N 3.4Å; R457-Y465 PolarHBondContact O-N 2.99Å; D458-Y465 HydrophobicContact CB-CD1 3.85Å; D458-Y465 HydrophobicContact CB-CE1 4.45Å; Y465-V519 HydrophobicContact CD2-CG2 4.27Å; Y465-V519 HydrophobicContact CE2-CG2 4.03Å; Y465-N520 PolarHBondContact OH-ND2 3.4Å |
| 466 | P | 97.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.3 | 14.4 | 10 | 39 | -37.6 | 0 | 0 | 0 | 115.2 | V519 N520 | P466-V519 HydrophobicContact CB-CG2 4.46Å; P466-V519 WeakPolarHBondContact O-CG2 3.4Å; P466-V519 PolarHBondContact O-N 3.29Å; P466-N520 WeakPolarHBondContact CB-ND2 3.38Å |
| 467 | N | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.3 | -172.7 | -62 | -44.2 | 0 | 0 | 0 | 112.5 | P453 T454 Q462 D464 Y517 G526 G527 | P453-N467 WeakPolarHBondContact CA-O 3.34Å; T454-N467 PolarHBondContact N-O 3.41Å; T454-N467 PolarHBondContact OG1-O 2.66Å; Q462-N467 WeakPolarHBondContact CA-ND2 3.07Å; Q462-N467 WeakPolarHBondContact O-CB 3.34Å; Q462-N467 PolarHBondContact O-ND2 3.16Å; D464-N467 WeakPolarHBondContact O-CB 3.36Å; D464-N467 PolarHBondContact O-N 2.98Å; N467-Y517 CarbonylContact C-O 3.46Å; N467-Y517 WeakPolarHBondContact CA-O 3.46Å; N467-G526 WeakPolarHBondContact OD1-CA 3.24Å; N467-G527 PolarHBondContact ND2-O 3.08Å; N467-G527 PolarHBondContact OD1-N 3.2Å |
| 468 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V452 W499 Y517 V519 | V452-A468 WeakPolarHBondContact O-CB 3.09Å; A468-W499 HydrophobicContact CB-CH2 4.26Å; A468-W499 HydrophobicContact CB-CZ3 3.84Å; A468-Y517 PolarHBondContact N-O 3.37Å; A468-Y517 PolarHBondContact O-N 3.19Å; A468-V519 HydrophobicContact CB-CG1 3.38Å |
| 469 | W | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | trans | -113.4 | 131.3 | -176.2 | -69.3 | 72.1 | 0 | 0 | 0 | 110.7 | Q462 W463 P471 L472 Q473 E515 K516 W539 | Q462-W469 HydrophobicContact CB-CZ2 3.93Å; Q462-W469 HydrophobicContact CG-CH2 4.36Å; Q462-W469 HydrophobicContact CG-CZ2 3.87Å; Q462-W469 PolarHBondContact O-NE1 3Å; W463-W469 HydrophobicContact CD2-CD2 4.03Å; W463-W469 AromaticContact CD2-CE2 3.68Å; W463-W469 HydrophobicContact CD2-CG 4.36Å; W463-W469 AromaticContact CD2-CZ2 3.94Å; W463-W469 HydrophobicContact CD2-CZ2 3.94Å; W463-W469 AromaticContact CD2-NE1 3.88Å; W463-W469 AromaticContact CE2-CD2 3.86Å; W463-W469 AromaticContact CE2-CE2 3.67Å; W463-W469 AromaticContact CE2-CE3 3.96Å; W463-W469 AromaticContact CE2-CH2 3.71Å; W463-W469 AromaticContact CE2-CZ2 3.59Å; W463-W469 AromaticContact CE2-CZ3 3.87Å; W463-W469 HydrophobicContact CE3-CB 4.42Å; W463-W469 AromaticContact CE3-CD1 3.86Å; W463-W469 AromaticContact CE3-CD2 3.94Å; W463-W469 HydrophobicContact CE3-CD2 3.94Å; W463-W469 AromaticContact CE3-CE2 3.96Å; W463-W469 AromaticContact CE3-CG 3.82Å; W463-W469 HydrophobicContact CE3-CG 3.82Å; W463-W469 AromaticContact CE3-NE1 3.91Å; W463-W469 HydrophobicContact CG-CZ2 4.17Å; W463-W469 HydrophobicContact CH2-CB 4.02Å; W463-W469 AromaticContact CH2-CD2 3.5Å; W463-W469 HydrophobicContact CH2-CD2 3.5Å; W463-W469 AromaticContact CH2-CE3 3.45Å; W463-W469 HydrophobicContact CH2-CE3 3.45Å; W463-W469 VanDerWaalsContact CH2-CE3 3.45Å; W463-W469 AromaticContact CH2-CG 3.79Å; W463-W469 HydrophobicContact CH2-CG 3.79Å; W463-W469 HydrophobicContact CH2-CZ3 4.04Å; W463-W469 AromaticContact CZ2-CD2 3.61Å; W463-W469 HydrophobicContact CZ2-CD2 3.61Å; W463-W469 AromaticContact CZ2-CE2 3.92Å; W463-W469 AromaticContact CZ2-CE3 3.36Å; W463-W469 HydrophobicContact CZ2-CE3 3.36Å; W463-W469 HydrophobicContact CZ2-CG 4.34Å; W463-W469 AromaticContact CZ2-CH2 3.79Å; W463-W469 HydrophobicContact CZ2-CH2 3.79Å; W463-W469 HydrophobicContact CZ2-CZ2 4.01Å; W463-W469 AromaticContact CZ2-CZ3 3.44Å; W463-W469 HydrophobicContact CZ2-CZ3 3.44Å; W463-W469 VanDerWaalsContact CZ2-CZ3 3.44Å; W463-W469 HydrophobicContact CZ3-CB 3.72Å; W463-W469 AromaticContact CZ3-CD2 3.69Å; W463-W469 HydrophobicContact CZ3-CD2 3.69Å; W463-W469 HydrophobicContact CZ3-CE3 4.13Å; W463-W469 AromaticContact CZ3-CG 3.51Å; W463-W469 HydrophobicContact CZ3-CG 3.51Å; W463-W469 AromaticContact NE1-CH2 3.7Å; W463-W469 AromaticContact NE1-CZ2 3.63Å; W469-P471 VanDerWaalsContact C-CD 3.41Å; W469-P471 HydrophobicContact CB-CG 4.16Å; W469-L472 HydrophobicContact CB-CD1 4.28Å; W469-L472 HydrophobicContact CB-CG 4.21Å; W469-L472 PolarHBondContact O-N 3.44Å; W469-Q473 WeakPolarHBondContact O-CG 3.34Å; W469-Q473 PolarHBondContact O-N 3.47Å; W469-Q473 VanDerWaalsContact O-N 3.11Å; W469-E515 HydrophobicContact CE3-CG 4.22Å; W469-E515 HydrophobicContact CH2-CG 3.95Å; W469-E515 HydrophobicContact CZ3-CG 3.44Å; W469-E515 VanDerWaalsContact CZ3-CG 3.44Å; W469-K516 HydrophobicContact CD2-CB 3.82Å; W469-K516 HydrophobicContact CD2-CD 4.43Å; W469-K516 HydrophobicContact CE3-CB 4.08Å; W469-K516 HydrophobicContact CG-CB 4.28Å; W469-K516 HydrophobicContact CH2-CB 4.41Å; W469-K516 HydrophobicContact CH2-CD 3.53Å; W469-K516 HydrophobicContact CZ2-CB 4.13Å; W469-K516 HydrophobicContact CZ2-CD 3.17Å; W469-K516 HydrophobicContact CZ2-CG 4.27Å; W469-K516 HydrophobicContact CZ3-CB 4.38Å; W469-K516 HydrophobicContact CZ3-CD 4.28Å; W469-W539 HydrophobicContact CD2-CZ2 4.45Å; W469-W539 AromaticContact CE3-CH2 3.3Å; W469-W539 HydrophobicContact CE3-CH2 3.3Å; W469-W539 AromaticContact CE3-CZ2 3.12Å; W469-W539 HydrophobicContact CE3-CZ2 3.12Å; W469-W539 HydrophobicContact CE3-CZ3 4.45Å; W469-W539 AromaticContact CZ3-CH2 3.37Å; W469-W539 HydrophobicContact CZ3-CH2 3.37Å; W469-W539 AromaticContact CZ3-CZ2 3.21Å; W469-W539 HydrophobicContact CZ3-CZ2 3.21Å | ||
| 470 | P | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -45 | -47.1 | 178.5 | -19.8 | 22.7 | 0 | 0 | 0 | 115.4 | L472 Q473 H474 W499 E515 W539 T540 V543 | P470-L472 VanDerWaalsContact C-N 3.31Å; P470-L472 PolarHBondContact O-N 3.49Å; P470-Q473 PolarHBondContact O-N 3.38Å; P470-H474 WeakPolarHBondContact O-CB 3.31Å; P470-H474 PolarHBondContact O-N 3.32Å; P470-W499 HydrophobicContact CB-CZ2 3.98Å; P470-W499 HydrophobicContact CG-CZ2 3.85Å; P470-E515 VanDerWaalsContact CD-O 3.22Å; P470-E515 WeakPolarHBondContact CD-O 3.14Å; P470-W539 HydrophobicContact CB-CG 4.41Å; P470-W539 HydrophobicContact CG-CG 4.39Å; P470-T540 HydrophobicContact CG-CG2 3.97Å; P470-T540 WeakPolarHBondContact CG-OG1 3.46Å; P470-V543 HydrophobicContact CB-CB 4.07Å; P470-V543 HydrophobicContact CB-CG1 4.34Å; P470-V543 HydrophobicContact CB-CG2 3.9Å |
| 471 | P | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 179.7 | 24 | -38.4 | 0 | 0 | 0 | 113 | W178 W463 W469 H474 M475 W539 | W178-P471 HydrophobicContact CD2-CB 4.15Å; W178-P471 HydrophobicContact CE3-CB 4.06Å; W178-P471 HydrophobicContact CH2-CB 3.15Å; W178-P471 HydrophobicContact CH2-CG 4.4Å; W178-P471 HydrophobicContact CZ2-CB 3.21Å; W178-P471 HydrophobicContact CZ3-CB 3.58Å; W463-P471 HydrophobicContact CH2-CG 4.29Å; W469-P471 VanDerWaalsContact C-CD 3.41Å; W469-P471 HydrophobicContact CB-CG 4.16Å; P471-H474 PolarHBondContact O-N 3.32Å; P471-M475 WeakPolarHBondContact O-CB 2.95Å; P471-M475 VanDerWaalsContact O-CG 3.25Å; P471-M475 WeakPolarHBondContact O-CG 3.27Å; P471-M475 PolarHBondContact O-N 3.35Å; P471-W539 HydrophobicContact CB-CE3 4.24Å; P471-W539 HydrophobicContact CG-CD2 4.16Å; P471-W539 HydrophobicContact CG-CE3 3.61Å; P471-W539 HydrophobicContact CG-CH2 4.34Å; P471-W539 HydrophobicContact CG-CZ3 3.7Å |
| 472 | L | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 5% | 0.047 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | -180 | -54.7 | -175.7 | 0 | 0 | 0 | 111.6 | W319 A416 T454 W463 W469 P470 L476 | W319-L472 HydrophobicContact CH2-CD1 3.8Å; W319-L472 HydrophobicContact CH2-CD2 4.37Å; W319-L472 HydrophobicContact CZ2-CD1 3.58Å; W319-L472 HydrophobicContact CZ2-CD2 3.47Å; W319-L472 VanDerWaalsContact CZ2-CD2 3.47Å; W319-L472 HydrophobicContact CZ2-CG 4.17Å; A416-L472 HydrophobicContact CB-CB 4.23Å; A416-L472 HydrophobicContact CB-CD1 4.23Å; T454-L472 HydrophobicContact CG2-CD1 3.75Å; W463-L472 HydrophobicContact CE3-CD1 4.11Å; W463-L472 HydrophobicContact CZ3-CD1 3.85Å; W463-L472 HydrophobicContact CZ3-CD2 4.49Å; W463-L472 HydrophobicContact CZ3-CG 4.09Å; W469-L472 HydrophobicContact CB-CD1 4.28Å; W469-L472 HydrophobicContact CB-CG 4.21Å; W469-L472 PolarHBondContact O-N 3.44Å; P470-L472 VanDerWaalsContact C-N 3.31Å; P470-L472 PolarHBondContact O-N 3.49Å; L472-L476 VanDerWaalsContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CB 3.48Å; L472-L476 PolarHBondContact O-N 3.08Å |
| 473 | Q | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.6 | -54.2 | -44.3 | -67.7 | 0 | 0 | 110.6 | V452 W469 P470 L476 I477 W499 | V452-Q473 PolarHBondContact O-NE2 3.15Å; W469-Q473 WeakPolarHBondContact O-CG 3.34Å; W469-Q473 PolarHBondContact O-N 3.47Å; W469-Q473 VanDerWaalsContact O-N 3.11Å; P470-Q473 PolarHBondContact O-N 3.38Å; Q473-L476 PolarHBondContact O-N 3.01Å; Q473-I477 HydrophobicContact CB-CD1 4.42Å; Q473-I477 WeakPolarHBondContact O-CB 3.37Å; Q473-I477 WeakPolarHBondContact O-CD1 3.43Å; Q473-I477 WeakPolarHBondContact O-CG1 3.48Å; Q473-I477 PolarHBondContact O-N 3.26Å; Q473-W499 HydrophobicContact CB-CD2 4.05Å; Q473-W499 HydrophobicContact CB-CE3 4.49Å; Q473-W499 HydrophobicContact CB-CG 4.24Å; Q473-W499 HydrophobicContact CG-CD2 3.61Å; Q473-W499 HydrophobicContact CG-CE3 3.61Å; Q473-W499 HydrophobicContact CG-CG 4.28Å; Q473-W499 HydrophobicContact CG-CH2 3.8Å; Q473-W499 HydrophobicContact CG-CZ2 3.85Å; Q473-W499 HydrophobicContact CG-CZ3 3.69Å |
| 474 | H | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | 179.8 | -178.3 | -93.8 | 0 | 0 | 0 | 111.9 | W178 P470 P471 L476 I477 E478 V543 Q546 | W178-H474 AromaticContact CD1-CG 3.99Å; W178-H474 AromaticContact CD1-ND1 3.95Å; W178-H474 AromaticContact NE1-CG 3.59Å; W178-H474 AromaticContact NE1-ND1 3.35Å; W178-H474 PolarHBondContact NE1-ND1 3.29Å; P470-H474 WeakPolarHBondContact O-CB 3.31Å; P470-H474 PolarHBondContact O-N 3.32Å; P471-H474 PolarHBondContact O-N 3.32Å; H474-L476 VanDerWaalsContact C-N 3.28Å; H474-L476 PolarHBondContact O-N 3.41Å; H474-I477 PolarHBondContact O-N 3.36Å; H474-E478 IonicContact CE1-OE2 3.98Å; H474-E478 PolarHBondContact CE1-OE2 3.47Å; H474-E478 IonicContact ND1-OE2 3.04Å; H474-E478 WeakPolarHBondContact O-CB 3.49Å; H474-E478 PolarHBondContact O-N 3.04Å; H474-V543 HydrophobicContact CB-CB 4.45Å; H474-V543 HydrophobicContact CB-CG1 3.91Å; H474-V543 HydrophobicContact CB-CG2 3.73Å; H474-Q546 PolarHBondContact NE2-OE1 2.95Å |
| 475 | M | 98.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 20 Ų | 20 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 179 | -71 | 170.7 | 71.4 | 0 | 0 | 111.4 | W178 F225 A420 W423 P471 G479 | W178-M475 HydrophobicContact CZ2-CG 4.33Å; W178-M475 HydrophobicContact CZ2-SD 4.31Å; F225-M475 HydrophobicContact CZ-SD 4.44Å; A420-M475 HydrophobicContact CB-CE 4.18Å; W423-M475 HydrophobicContact CB-CB 4.27Å; W423-M475 WeakPolarHBondContact CB-O 3.24Å; W423-M475 HydrophobicContact CD2-CB 4.25Å; W423-M475 HydrophobicContact CD2-CE 3.81Å; W423-M475 HydrophobicContact CD2-CG 3.94Å; W423-M475 HydrophobicContact CE3-CE 3.47Å; W423-M475 VanDerWaalsContact CE3-CE 3.47Å; W423-M475 HydrophobicContact CG-CB 3.88Å; W423-M475 HydrophobicContact CG-CE 4.41Å; W423-M475 HydrophobicContact CG-CG 4.09Å; W423-M475 HydrophobicContact CH2-CE 4.3Å; W423-M475 HydrophobicContact CZ2-CG 4.31Å; W423-M475 HydrophobicContact CZ3-CE 3.74Å; P471-M475 WeakPolarHBondContact O-CB 2.95Å; P471-M475 VanDerWaalsContact O-CG 3.25Å; P471-M475 WeakPolarHBondContact O-CG 3.27Å; P471-M475 PolarHBondContact O-N 3.35Å; M475-G479 PolarHBondContact O-N 3.24Å |
| 476 | L | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.068 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | 177.6 | -177.3 | 60.2 | 0 | 0 | 0 | 112 | L419 L440 V452 L472 Q473 H474 G479 L480 L495 | L419-L476 HydrophobicContact CB-CD1 4.28Å; L419-L476 HydrophobicContact CD1-CD1 3.68Å; L419-L476 HydrophobicContact CG-CD1 4.5Å; L440-L476 HydrophobicContact CD2-CD1 3.84Å; L440-L476 HydrophobicContact CD2-CD2 4.32Å; L440-L476 HydrophobicContact CD2-CG 4.47Å; V452-L476 HydrophobicContact CB-CD2 3.88Å; V452-L476 HydrophobicContact CG1-CD2 4.04Å; V452-L476 HydrophobicContact CG2-CD2 3.58Å; L472-L476 VanDerWaalsContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CB 3.48Å; L472-L476 PolarHBondContact O-N 3.08Å; Q473-L476 PolarHBondContact O-N 3.01Å; H474-L476 VanDerWaalsContact C-N 3.28Å; H474-L476 PolarHBondContact O-N 3.41Å; L476-G479 PolarHBondContact O-N 3.24Å; L476-L480 HydrophobicContact CD1-CD1 4.06Å; L476-L480 HydrophobicContact CD1-CG 4.28Å; L476-L480 HydrophobicContact CG-CD1 4.11Å; L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 VanDerWaalsContact O-CG 3.22Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 2.83Å; L476-L495 HydrophobicContact CD2-CD1 3.93Å; L476-L495 HydrophobicContact CG-CD1 4.18Å |
| 477 | I | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | -179.9 | -68.9 | 161.1 | 0 | 0 | 0 | 110.6 | Q473 H474 G479 L480 S481 A492 L495 A496 L547 Y551 | Q473-I477 HydrophobicContact CB-CD1 4.42Å; Q473-I477 WeakPolarHBondContact O-CB 3.37Å; Q473-I477 WeakPolarHBondContact O-CD1 3.43Å; Q473-I477 WeakPolarHBondContact O-CG1 3.48Å; Q473-I477 PolarHBondContact O-N 3.26Å; H474-I477 PolarHBondContact O-N 3.36Å; I477-G479 PolarHBondContact O-N 3.46Å; I477-L480 PolarHBondContact O-N 3.22Å; I477-S481 WeakPolarHBondContact O-CB 3.22Å; I477-S481 PolarHBondContact O-N 2.84Å; I477-A492 HydrophobicContact CG2-CB 4.32Å; I477-A492 WeakPolarHBondContact O-CB 3.31Å; I477-L495 HydrophobicContact CD1-CB 4.18Å; I477-L495 HydrophobicContact CG1-CB 3.7Å; I477-A496 HydrophobicContact CD1-CB 4.27Å; I477-A496 HydrophobicContact CG2-CB 4.16Å; I477-L547 HydrophobicContact CB-CD2 4.35Å; I477-L547 HydrophobicContact CD1-CD1 3.93Å; I477-L547 HydrophobicContact CD1-CD2 4.12Å; I477-L547 HydrophobicContact CG2-CD2 3.7Å; I477-Y551 HydrophobicContact CG2-CE2 3.92Å |
| 478 | E | 98.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -44 | -179.5 | -174.8 | -167.4 | 167.1 | 0 | 0 | 110.6 | W423 H474 S481 K482 | W423-E478 VanDerWaalsContact CD1-OE2 3.31Å; W423-E478 PolarHBondContact NE1-OE2 3.09Å; H474-E478 IonicContact CE1-OE2 3.98Å; H474-E478 PolarHBondContact CE1-OE2 3.47Å; H474-E478 IonicContact ND1-OE2 3.04Å; H474-E478 WeakPolarHBondContact O-CB 3.49Å; H474-E478 PolarHBondContact O-N 3.04Å; E478-S481 PolarHBondContact O-N 2.67Å; E478-S481 PolarHBondContact O-OG 2.85Å; E478-K482 WeakPolarHBondContact O-CG 3.44Å; E478-K482 PolarHBondContact O-N 2.83Å; E478-K482 WeakPolarHBondContact OE1-CE 3.37Å; E478-K482 IonicContact OE1-NZ 3.78Å; E478-K482 PolarHBondContact OE1-NZ 3.15Å |
| 479 | G | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M475 L476 I477 S481 K482 | M475-G479 PolarHBondContact O-N 3.24Å; L476-G479 PolarHBondContact O-N 3.24Å; I477-G479 PolarHBondContact O-N 3.46Å; G479-S481 VanDerWaalsContact C-N 3.3Å; G479-S481 PolarHBondContact O-N 2.92Å; G479-K482 PolarHBondContact O-N 2.84Å |
| 480 | L | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.9 | -70 | 175.1 | 0 | 0 | 0 | 112.3 | L437 L440 L476 I477 K482 L483 G488 L491 A492 L495 | L437-L480 HydrophobicContact CB-CD2 4.43Å; L437-L480 HydrophobicContact CD1-CD2 3.94Å; L440-L480 HydrophobicContact CD2-CD1 3.96Å; L476-L480 HydrophobicContact CD1-CD1 4.06Å; L476-L480 HydrophobicContact CD1-CG 4.28Å; L476-L480 HydrophobicContact CG-CD1 4.11Å; L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 VanDerWaalsContact O-CG 3.22Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 2.83Å; I477-L480 PolarHBondContact O-N 3.22Å; L480-K482 PolarHBondContact O-N 3.39Å; L480-L483 HydrophobicContact CD2-CD1 3.8Å; L480-L483 WeakPolarHBondContact O-CB 3.1Å; L480-L483 PolarHBondContact O-N 3.3Å; L480-L483 VanDerWaalsContact O-N 3.15Å; L480-G488 CarbonylContact O-C 3.41Å; L480-L491 HydrophobicContact CD1-CD2 3.94Å; L480-L491 HydrophobicContact CD1-CG 4.01Å; L480-A492 HydrophobicContact CB-CB 3.76Å; L480-L495 HydrophobicContact CD1-CD1 3.84Å |
| 481 | S | 98.1 | Very high | 97.8 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -22.2 | 178.8 | 79.7 | 0 | 0 | 0 | 0 | 113.7 | I477 E478 G479 Y551 | I477-S481 WeakPolarHBondContact O-CB 3.22Å; I477-S481 PolarHBondContact O-N 2.84Å; E478-S481 PolarHBondContact O-N 2.67Å; E478-S481 PolarHBondContact O-OG 2.85Å; G479-S481 VanDerWaalsContact C-N 3.3Å; G479-S481 PolarHBondContact O-N 2.92Å; S481-Y551 WeakPolarHBondContact CB-OH 3.33Å |
| 482 | K | 96.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.7 | 178.8 | -66.9 | 174.7 | -174.5 | 173.4 | 0 | 113.2 | Q425 E478 G479 L480 | Q425-K482 HydrophobicContact CG-CD 4.45Å; E478-K482 WeakPolarHBondContact O-CG 3.44Å; E478-K482 PolarHBondContact O-N 2.83Å; E478-K482 WeakPolarHBondContact OE1-CE 3.37Å; E478-K482 IonicContact OE1-NZ 3.78Å; E478-K482 PolarHBondContact OE1-NZ 3.15Å; G479-K482 PolarHBondContact O-N 2.84Å; L480-K482 PolarHBondContact O-N 3.39Å |
| 483 | L | 96.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -65.6 | 148.8 | 171.6 | -66.6 | -179.4 | 0 | 0 | 0 | 110.6 | V422 L437 L480 S485 K489 | V422-L483 HydrophobicContact CG1-CD2 3.87Å; V422-L483 HydrophobicContact CG1-CG 4.24Å; L437-L483 HydrophobicContact CB-CD1 4.01Å; L437-L483 HydrophobicContact CD2-CD1 4.22Å; L480-L483 HydrophobicContact CD2-CD1 3.8Å; L480-L483 WeakPolarHBondContact O-CB 3.1Å; L480-L483 PolarHBondContact O-N 3.3Å; L480-L483 VanDerWaalsContact O-N 3.15Å; L483-S485 VanDerWaalsContact C-N 3.31Å; L483-K489 VanDerWaalsContact O-CE 3.32Å; L483-K489 WeakPolarHBondContact O-CE 3.44Å |
| 484 | S | 93 | Very high | 97.7 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 69% | 0.685 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -75.8 | -25.9 | -179.2 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 485 | S | 95.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -69.5 | 137.9 | 178.2 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | E434 L483 E487 G488 K489 | E434-S485 VanDerWaalsContact CD-OG 3.25Å; E434-S485 VanDerWaalsContact OE1-CB 3.3Å; E434-S485 WeakPolarHBondContact OE1-CB 3.12Å; E434-S485 PolarHBondContact OE1-N 2.94Å; E434-S485 PolarHBondContact OE1-OG 3.43Å; E434-S485 WeakPolarHBondContact OE2-CB 3.36Å; E434-S485 PolarHBondContact OE2-OG 2.82Å; L483-S485 VanDerWaalsContact C-N 3.31Å; S485-E487 PolarHBondContact O-N 2.85Å; S485-G488 PolarHBondContact O-N 2.93Å; S485-G488 PolarHBondContact OG-N 3.39Å; S485-G488 VanDerWaalsContact OG-N 3.09Å; S485-K489 PolarHBondContact O-N 2.94Å |
| 486 | E | 97 | Very high | 97.7 | Very high | 135 Ų | 135 | 40.7 Ų | 40.7 | 63% | 0.631 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.1 | -26.1 | 170.2 | -67.3 | -55.5 | 124.5 | 0 | 0 | 111.8 | K489 K490 | E486-K489 IonicContact OE1-NZ 2.63Å; E486-K489 PolarHBondContact OE1-NZ 3.09Å; E486-K490 VanDerWaalsContact O-CB 3.23Å; E486-K490 WeakPolarHBondContact O-CB 3.33Å; E486-K490 PolarHBondContact O-N 3.22Å |
| 487 | E | 97.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 173.4 | -172.7 | 173.9 | -147.9 | 0 | 0 | 111.7 | L437 Q438 K441 S485 K490 L491 | L437-E487 HydrophobicContact CD2-CB 4.26Å; L437-E487 HydrophobicContact CD2-CG 4.11Å; Q438-E487 PolarHBondContact NE2-OE2 3.31Å; K441-E487 WeakPolarHBondContact CE-OE1 3.28Å; K441-E487 IonicContact NZ-OE1 2.65Å; K441-E487 PolarHBondContact NZ-OE1 3.06Å; K441-E487 IonicContact NZ-OE2 2.74Å; S485-E487 PolarHBondContact O-N 2.85Å; E487-K490 PolarHBondContact O-N 2.64Å; E487-L491 PolarHBondContact O-N 2.89Å |
| 488 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L480 S485 K490 L491 A492 | L480-G488 CarbonylContact O-C 3.41Å; S485-G488 PolarHBondContact O-N 2.93Å; S485-G488 PolarHBondContact OG-N 3.39Å; S485-G488 VanDerWaalsContact OG-N 3.09Å; G488-K490 PolarHBondContact O-N 3.29Å; G488-L491 PolarHBondContact O-N 3.45Å; G488-A492 WeakPolarHBondContact O-CB 3.49Å; G488-A492 PolarHBondContact O-N 2.96Å |
| 489 | K | 98.3 | Very high | 97.6 | Very high | 81 Ų | 81 | 44 Ų | 44 | 35% | 0.352 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.4 | -64.2 | 176 | -163.6 | 161.9 | 0 | 112.7 | L483 S485 E486 A492 F493 | L483-K489 VanDerWaalsContact O-CE 3.32Å; L483-K489 WeakPolarHBondContact O-CE 3.44Å; S485-K489 PolarHBondContact O-N 2.94Å; E486-K489 IonicContact OE1-NZ 2.63Å; E486-K489 PolarHBondContact OE1-NZ 3.09Å; K489-A492 WeakPolarHBondContact O-CB 3.35Å; K489-A492 PolarHBondContact O-N 3.01Å; K489-F493 PolarHBondContact O-N 3.39Å; K489-F493 VanDerWaalsContact O-N 3.09Å |
| 490 | K | 98.4 | Very high | 97.6 | Very high | 140 Ų | 140 | 44 Ų | 44 | 61% | 0.609 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.5 | -45.4 | 176.5 | -177 | 179.8 | 176.5 | -175.4 | 0 | 111.2 | E486 E487 G488 A492 F493 D494 | E486-K490 VanDerWaalsContact O-CB 3.23Å; E486-K490 WeakPolarHBondContact O-CB 3.33Å; E486-K490 PolarHBondContact O-N 3.22Å; E487-K490 PolarHBondContact O-N 2.64Å; G488-K490 PolarHBondContact O-N 3.29Å; K490-A492 VanDerWaalsContact C-N 3.31Å; K490-A492 PolarHBondContact O-N 2.77Å; K490-F493 PolarHBondContact O-N 3.4Å; K490-D494 PolarHBondContact O-N 3.39Å |
| 491 | L | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.1 | -178.5 | 60.1 | 0 | 0 | 0 | 111.6 | L437 L440 K441 L446 L480 E487 G488 F493 D494 L495 | L437-L491 HydrophobicContact CD1-CB 4.48Å; L437-L491 HydrophobicContact CD1-CD2 3.43Å; L437-L491 VanDerWaalsContact CD1-CD2 3.43Å; L440-L491 HydrophobicContact CD2-CD2 3.98Å; K441-L491 HydrophobicContact CG-CD2 4.45Å; L446-L491 HydrophobicContact CD1-CD1 3.96Å; L446-L491 HydrophobicContact CD1-CD2 3.88Å; L446-L491 HydrophobicContact CD2-CD1 4.4Å; L480-L491 HydrophobicContact CD1-CD2 3.94Å; L480-L491 HydrophobicContact CD1-CG 4.01Å; E487-L491 PolarHBondContact O-N 2.89Å; G488-L491 PolarHBondContact O-N 3.45Å; L491-F493 VanDerWaalsContact C-N 3.34Å; L491-F493 PolarHBondContact O-N 3.01Å; L491-D494 PolarHBondContact O-N 3.28Å; L491-L495 HydrophobicContact CD1-CD1 4.37Å; L491-L495 HydrophobicContact CD1-CG 4.14Å; L491-L495 HydrophobicContact CG-CD1 4.18Å; L491-L495 HydrophobicContact CG-CG 4.39Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 WeakPolarHBondContact O-CG 3.26Å; L491-L495 PolarHBondContact O-N 3Å |
| 492 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I477 L480 G488 K489 K490 L495 A496 | I477-A492 HydrophobicContact CG2-CB 4.32Å; I477-A492 WeakPolarHBondContact O-CB 3.31Å; L480-A492 HydrophobicContact CB-CB 3.76Å; G488-A492 WeakPolarHBondContact O-CB 3.49Å; G488-A492 PolarHBondContact O-N 2.96Å; K489-A492 WeakPolarHBondContact O-CB 3.35Å; K489-A492 PolarHBondContact O-N 3.01Å; K490-A492 VanDerWaalsContact C-N 3.31Å; K490-A492 PolarHBondContact O-N 2.77Å; A492-L495 PolarHBondContact O-N 3.01Å; A492-A496 WeakPolarHBondContact O-CB 3.29Å; A492-A496 PolarHBondContact O-N 3.46Å |
| 493 | F | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.1 | 175 | -102.2 | 0 | 0 | 0 | 112.5 | K489 K490 L491 L495 A496 Q497 Y551 T554 L555 | K489-F493 PolarHBondContact O-N 3.39Å; K489-F493 VanDerWaalsContact O-N 3.09Å; K490-F493 PolarHBondContact O-N 3.4Å; L491-F493 VanDerWaalsContact C-N 3.34Å; L491-F493 PolarHBondContact O-N 3.01Å; F493-L495 VanDerWaalsContact C-N 3.27Å; F493-L495 PolarHBondContact O-N 2.65Å; F493-A496 WeakPolarHBondContact O-CB 3.4Å; F493-A496 PolarHBondContact O-N 2.87Å; F493-Q497 WeakPolarHBondContact O-CB 3.49Å; F493-Q497 PolarHBondContact O-N 3.01Å; F493-Y551 HydrophobicContact CB-CE1 4.26Å; F493-Y551 AromaticContact CD2-CD1 3.69Å; F493-Y551 HydrophobicContact CD2-CD1 3.69Å; F493-Y551 HydrophobicContact CD2-CE1 4.2Å; F493-Y551 HydrophobicContact CD2-CG 4.11Å; F493-Y551 HydrophobicContact CE2-CD1 4.48Å; F493-T554 WeakPolarHBondContact CE2-OG1 3.47Å; F493-L555 HydrophobicContact CE2-CD2 4.18Å; F493-L555 HydrophobicContact CE2-CG 4.45Å |
| 494 | D | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 179 | -74.1 | -18.1 | 0 | 0 | 0 | 111.3 | K490 L491 R498 | K490-D494 PolarHBondContact O-N 3.39Å; L491-D494 PolarHBondContact O-N 3.28Å; D494-R498 WeakPolarHBondContact O-CG 3.42Å; D494-R498 PolarHBondContact O-N 3.23Å |
| 495 | L | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | 175 | -71.7 | 178.6 | 0 | 0 | 0 | 112.2 | L446 V452 L476 I477 L480 L491 A492 F493 Q497 R498 W499 | L446-L495 HydrophobicContact CD2-CD1 4.31Å; L446-L495 HydrophobicContact CD2-CD2 4.05Å; V452-L495 HydrophobicContact CG2-CD1 4.3Å; V452-L495 HydrophobicContact CG2-CD2 3.79Å; L476-L495 HydrophobicContact CD2-CD1 3.93Å; L476-L495 HydrophobicContact CG-CD1 4.18Å; I477-L495 HydrophobicContact CD1-CB 4.18Å; I477-L495 HydrophobicContact CG1-CB 3.7Å; L480-L495 HydrophobicContact CD1-CD1 3.84Å; L491-L495 HydrophobicContact CD1-CD1 4.37Å; L491-L495 HydrophobicContact CD1-CG 4.14Å; L491-L495 HydrophobicContact CG-CD1 4.18Å; L491-L495 HydrophobicContact CG-CG 4.39Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 WeakPolarHBondContact O-CG 3.26Å; L491-L495 PolarHBondContact O-N 3Å; A492-L495 PolarHBondContact O-N 3.01Å; F493-L495 VanDerWaalsContact C-N 3.27Å; F493-L495 PolarHBondContact O-N 2.65Å; L495-Q497 VanDerWaalsContact C-N 3.33Å; L495-Q497 PolarHBondContact O-N 2.91Å; L495-R498 PolarHBondContact O-N 2.84Å; L495-W499 WeakPolarHBondContact O-CB 3.49Å; L495-W499 PolarHBondContact O-N 3.36Å |
| 496 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I477 A492 F493 W499 I500 L547 Y551 | I477-A496 HydrophobicContact CD1-CB 4.27Å; I477-A496 HydrophobicContact CG2-CB 4.16Å; A492-A496 WeakPolarHBondContact O-CB 3.29Å; A492-A496 PolarHBondContact O-N 3.46Å; F493-A496 WeakPolarHBondContact O-CB 3.4Å; F493-A496 PolarHBondContact O-N 2.87Å; A496-W499 PolarHBondContact O-N 3.22Å; A496-I500 WeakPolarHBondContact O-CB 3.32Å; A496-I500 WeakPolarHBondContact O-CG1 3.44Å; A496-I500 PolarHBondContact O-N 2.89Å; A496-L547 HydrophobicContact CB-CD2 4.18Å; A496-Y551 HydrophobicContact CB-CD2 3.61Å; A496-Y551 HydrophobicContact CB-CE2 3.73Å; A496-Y551 HydrophobicContact CB-CG 4.4Å |
| 497 | Q | 98.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177 | 176.9 | 61.4 | 92.2 | 0 | 0 | 112.3 | F493 L495 K501 L555 T556 | F493-Q497 WeakPolarHBondContact O-CB 3.49Å; F493-Q497 PolarHBondContact O-N 3.01Å; L495-Q497 VanDerWaalsContact C-N 3.33Å; L495-Q497 PolarHBondContact O-N 2.91Å; Q497-K501 WeakPolarHBondContact O-CB 3.37Å; Q497-K501 PolarHBondContact O-N 3Å; Q497-L555 HydrophobicContact CB-CD2 3.95Å; Q497-T556 PolarHBondContact NE2-O 3.04Å; Q497-T556 PolarHBondContact OE1-O 3.4Å; Q497-T556 PolarHBondContact OE1-OG1 3.27Å |
| 498 | R | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 27% | 0.272 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 173.9 | -73.2 | -177.3 | -140.3 | -173.7 | 5.4 | 111.5 | L446 F448 D494 L495 K501 T502 | L446-R498 PolarHBondContact O-NH1 3.32Å; F448-R498 PolarHBondContact O-NH1 2.85Å; D494-R498 WeakPolarHBondContact O-CG 3.42Å; D494-R498 PolarHBondContact O-N 3.23Å; L495-R498 PolarHBondContact O-N 2.84Å; R498-K501 PolarHBondContact O-N 3.42Å; R498-T502 WeakPolarHBondContact O-CB 3.41Å; R498-T502 PolarHBondContact O-N 3.44Å; R498-T502 PolarHBondContact O-OG1 3.22Å |
| 499 | W | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -50 | -175.7 | -172.8 | -112.2 | 0 | 0 | 0 | 112.5 | A468 P470 Q473 L495 A496 K501 T502 N503 Y517 L547 | A468-W499 HydrophobicContact CB-CH2 4.26Å; A468-W499 HydrophobicContact CB-CZ3 3.84Å; P470-W499 HydrophobicContact CB-CZ2 3.98Å; P470-W499 HydrophobicContact CG-CZ2 3.85Å; Q473-W499 HydrophobicContact CB-CD2 4.05Å; Q473-W499 HydrophobicContact CB-CE3 4.49Å; Q473-W499 HydrophobicContact CB-CG 4.24Å; Q473-W499 HydrophobicContact CG-CD2 3.61Å; Q473-W499 HydrophobicContact CG-CE3 3.61Å; Q473-W499 HydrophobicContact CG-CG 4.28Å; Q473-W499 HydrophobicContact CG-CH2 3.8Å; Q473-W499 HydrophobicContact CG-CZ2 3.85Å; Q473-W499 HydrophobicContact CG-CZ3 3.69Å; L495-W499 WeakPolarHBondContact O-CB 3.49Å; L495-W499 PolarHBondContact O-N 3.36Å; A496-W499 PolarHBondContact O-N 3.22Å; W499-K501 VanDerWaalsContact C-N 3.3Å; W499-K501 PolarHBondContact O-N 2.81Å; W499-T502 VanDerWaalsContact O-CB 3.29Å; W499-T502 WeakPolarHBondContact O-CB 3.46Å; W499-T502 PolarHBondContact O-N 2.72Å; W499-T502 VanDerWaalsContact O-N 3.09Å; W499-N503 VanDerWaalsContact CD1-OD1 3.29Å; W499-N503 PolarHBondContact NE1-OD1 3.11Å; W499-N503 PolarHBondContact O-N 2.84Å; W499-N503 PolarHBondContact O-OD1 3.39Å; W499-Y517 AromaticContact CH2-CD2 3.55Å; W499-Y517 HydrophobicContact CH2-CD2 3.55Å; W499-Y517 HydrophobicContact CH2-CE2 4.37Å; W499-Y517 HydrophobicContact CH2-CG 4.09Å; W499-Y517 AromaticContact CZ2-CD2 3.98Å; W499-Y517 HydrophobicContact CZ2-CD2 3.98Å; W499-Y517 HydrophobicContact CZ2-CE2 4.37Å; W499-Y517 HydrophobicContact CZ3-CD2 4.35Å; W499-Y517 HydrophobicContact CZ3-CG 4.47Å; W499-L547 HydrophobicContact CG-CD1 4.49Å |
| 500 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.6 | -72.3 | -59 | 0 | 0 | 0 | 111.6 | L123 W126 A496 T502 N503 W504 A544 L547 L548 L555 | L123-I500 HydrophobicContact CD1-CG2 4.12Å; L123-I500 HydrophobicContact CD2-CG2 4.04Å; W126-I500 HydrophobicContact CH2-CD1 4.38Å; W126-I500 HydrophobicContact CZ3-CD1 4.21Å; W126-I500 HydrophobicContact CZ3-CG2 3.98Å; A496-I500 WeakPolarHBondContact O-CB 3.32Å; A496-I500 WeakPolarHBondContact O-CG1 3.44Å; A496-I500 PolarHBondContact O-N 2.89Å; I500-T502 VanDerWaalsContact C-N 3.3Å; I500-T502 PolarHBondContact O-N 2.88Å; I500-N503 PolarHBondContact O-N 3.04Å; I500-W504 VanDerWaalsContact O-CB 3.22Å; I500-W504 WeakPolarHBondContact O-CB 3.26Å; I500-W504 PolarHBondContact O-N 2.92Å; I500-A544 HydrophobicContact CD1-CB 4.1Å; I500-L547 HydrophobicContact CD1-CB 3.93Å; I500-L547 HydrophobicContact CD1-CD1 4.36Å; I500-L547 HydrophobicContact CG1-CB 4.01Å; I500-L547 HydrophobicContact CG1-CD1 4.38Å; I500-L548 HydrophobicContact CD1-CG 4.04Å; I500-L548 HydrophobicContact CG2-CD2 4.14Å; I500-L555 HydrophobicContact CB-CD1 4.45Å; I500-L555 HydrophobicContact CG1-CD1 3.98Å; I500-L555 HydrophobicContact CG2-CD1 4.37Å |
| 501 | K | 96.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 45.8 Ų | 45.8 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 177 | -174.9 | 176.7 | 179.3 | -174.9 | 0 | 112.2 | Q497 R498 W499 R505 | Q497-K501 WeakPolarHBondContact O-CB 3.37Å; Q497-K501 PolarHBondContact O-N 3Å; R498-K501 PolarHBondContact O-N 3.42Å; W499-K501 VanDerWaalsContact C-N 3.3Å; W499-K501 PolarHBondContact O-N 2.81Å; K501-R505 WeakPolarHBondContact O-CB 3.44Å; K501-R505 WeakPolarHBondContact O-CG 3.38Å; K501-R505 PolarHBondContact O-N 3.12Å |
| 502 | T | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -55.6 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | N450 R498 W499 I500 W504 R505 A506 Y517 | N450-T502 VanDerWaalsContact CA-OG1 3.27Å; N450-T502 WeakPolarHBondContact CA-OG1 3.49Å; N450-T502 HydrophobicContact CB-CG2 3.7Å; N450-T502 WeakPolarHBondContact CB-OG1 3.4Å; N450-T502 PolarHBondContact OD1-OG1 3.2Å; R498-T502 WeakPolarHBondContact O-CB 3.41Å; R498-T502 PolarHBondContact O-N 3.44Å; R498-T502 PolarHBondContact O-OG1 3.22Å; W499-T502 VanDerWaalsContact O-CB 3.29Å; W499-T502 WeakPolarHBondContact O-CB 3.46Å; W499-T502 PolarHBondContact O-N 2.72Å; W499-T502 VanDerWaalsContact O-N 3.09Å; I500-T502 VanDerWaalsContact C-N 3.3Å; I500-T502 PolarHBondContact O-N 2.88Å; T502-W504 VanDerWaalsContact C-N 3.33Å; T502-W504 PolarHBondContact O-N 3.43Å; T502-R505 PolarHBondContact O-N 3.2Å; T502-A506 WeakPolarHBondContact O-CB 3.48Å; T502-A506 PolarHBondContact O-N 2.91Å; T502-Y517 HydrophobicContact CG2-CD1 4.2Å |
| 503 | N | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | -179.4 | -57.2 | 149.5 | 0 | 0 | 0 | 111.7 | W126 W499 I500 Y507 M513 Y517 | W126-N503 HydrophobicContact CH2-CB 3.67Å; W126-N503 HydrophobicContact CZ2-CB 3.75Å; W499-N503 VanDerWaalsContact CD1-OD1 3.29Å; W499-N503 PolarHBondContact NE1-OD1 3.11Å; W499-N503 PolarHBondContact O-N 2.84Å; W499-N503 PolarHBondContact O-OD1 3.39Å; I500-N503 PolarHBondContact O-N 3.04Å; N503-Y507 VanDerWaalsContact O-CB 3.27Å; N503-Y507 WeakPolarHBondContact O-CB 3.39Å; N503-Y507 PolarHBondContact O-N 3.48Å; N503-M513 HydrophobicContact CB-CE 4.34Å; N503-Y517 VanDerWaalsContact ND2-CE2 3.33Å; N503-Y517 WeakPolarHBondContact ND2-CE2 3.46Å; N503-Y517 VanDerWaalsContact ND2-CZ 3.32Å |
| 504 | W | 95.8 | Very high | 95 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 177.1 | 172.5 | 64.4 | 0 | 0 | 0 | 111.8 | K122 L123 W126 I500 T502 Y507 Q508 S557 | K122-W504 HydrophobicContact CB-CZ2 4.42Å; K122-W504 HydrophobicContact CD-CZ2 4.12Å; L123-W504 HydrophobicContact CD2-CB 4.25Å; L123-W504 HydrophobicContact CD2-CD2 4.39Å; L123-W504 HydrophobicContact CD2-CG 4.04Å; W126-W504 HydrophobicContact CD2-CB 4.12Å; W126-W504 AromaticContact CD2-CD1 3.86Å; W126-W504 HydrophobicContact CD2-CG 4.4Å; W126-W504 HydrophobicContact CE3-CB 4.1Å; W126-W504 AromaticContact CG-CD1 3.66Å; W126-W504 HydrophobicContact CH2-CB 4.3Å; W126-W504 HydrophobicContact CZ2-CB 4.28Å; W126-W504 HydrophobicContact CZ3-CB 4.21Å; I500-W504 VanDerWaalsContact O-CB 3.22Å; I500-W504 WeakPolarHBondContact O-CB 3.26Å; I500-W504 PolarHBondContact O-N 2.92Å; T502-W504 VanDerWaalsContact C-N 3.33Å; T502-W504 PolarHBondContact O-N 3.43Å; W504-Y507 PolarHBondContact O-N 2.94Å; W504-Q508 HydrophobicContact CD2-CG 4.41Å; W504-Q508 HydrophobicContact CZ2-CG 4.18Å; W504-Q508 VanDerWaalsContact O-CG 3.31Å; W504-Q508 WeakPolarHBondContact O-CG 3.41Å; W504-Q508 PolarHBondContact O-N 2.96Å; W504-S557 WeakPolarHBondContact CZ3-O 3.45Å |
| 505 | R | 93.4 | Very high | 94.7 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63 | -48.2 | 178.6 | -78 | 172.8 | 170.2 | -165.4 | -11.4 | 112.3 | K501 T502 Y507 Q508 E509 | K501-R505 WeakPolarHBondContact O-CB 3.44Å; K501-R505 WeakPolarHBondContact O-CG 3.38Å; K501-R505 PolarHBondContact O-N 3.12Å; T502-R505 PolarHBondContact O-N 3.2Å; R505-Y507 VanDerWaalsContact C-N 3.25Å; R505-Y507 PolarHBondContact O-N 2.94Å; R505-Q508 PolarHBondContact O-N 3.17Å; R505-Q508 VanDerWaalsContact O-N 3.13Å; R505-E509 WeakPolarHBondContact O-CB 3.48Å; R505-E509 PolarHBondContact O-N 3.02Å |
| 506 | A | 93.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | T502 Q508 E509 Y510 Y517 | T502-A506 WeakPolarHBondContact O-CB 3.48Å; T502-A506 PolarHBondContact O-N 2.91Å; A506-Q508 PolarHBondContact O-N 3.16Å; A506-E509 PolarHBondContact O-N 3.43Å; A506-Y510 HydrophobicContact CB-CD2 4.44Å; A506-Y510 WeakPolarHBondContact O-CB 3.3Å; A506-Y510 VanDerWaalsContact O-CD2 3.31Å; A506-Y510 WeakPolarHBondContact O-CD2 3.48Å; A506-Y510 PolarHBondContact O-N 3.47Å; A506-Y517 HydrophobicContact CB-CD1 4.2Å; A506-Y517 HydrophobicContact CB-CE1 3.66Å |
| 507 | Y | 93.4 | Very high | 94.5 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 12% | 0.122 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 175.7 | -170 | -91.6 | 0 | 0 | 0 | 112.8 | W126 Q129 N503 W504 R505 E509 E511 M513 | W126-Y507 AromaticContact CD1-CD1 3.35Å; W126-Y507 AromaticContact CD1-CE1 3.82Å; W126-Y507 AromaticContact CD1-CG 3.74Å; W126-Y507 AromaticContact NE1-CD1 3.39Å; W126-Y507 AromaticContact NE1-CD2 3.85Å; W126-Y507 AromaticContact NE1-CG 3.23Å; Q129-Y507 HydrophobicContact CB-CE1 4.33Å; N503-Y507 VanDerWaalsContact O-CB 3.27Å; N503-Y507 WeakPolarHBondContact O-CB 3.39Å; N503-Y507 PolarHBondContact O-N 3.48Å; W504-Y507 PolarHBondContact O-N 2.94Å; R505-Y507 VanDerWaalsContact C-N 3.25Å; R505-Y507 PolarHBondContact O-N 2.94Å; Y507-E509 VanDerWaalsContact C-N 3.31Å; Y507-E509 PolarHBondContact O-N 2.02Å; Y507-E511 WeakPolarHBondContact O-CA 3.01Å; Y507-E511 PolarHBondContact O-N 2.94Å; Y507-M513 HydrophobicContact CD2-CG 3.7Å; Y507-M513 HydrophobicContact CD2-SD 3.76Å; Y507-M513 HydrophobicContact CE2-CG 4.05Å; Y507-M513 HydrophobicContact CG-SD 4.37Å |
| 508 | Q | 92.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 40.6 Ų | 40.6 | 51% | 0.505 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 176.3 | -68 | -60.8 | -73.3 | 0 | 0 | 112.8 | W504 R505 A506 | W504-Q508 HydrophobicContact CD2-CG 4.41Å; W504-Q508 HydrophobicContact CZ2-CG 4.18Å; W504-Q508 VanDerWaalsContact O-CG 3.31Å; W504-Q508 WeakPolarHBondContact O-CG 3.41Å; W504-Q508 PolarHBondContact O-N 2.96Å; R505-Q508 PolarHBondContact O-N 3.17Å; R505-Q508 VanDerWaalsContact O-N 3.13Å; A506-Q508 PolarHBondContact O-N 3.16Å |
| 509 | E | 92.4 | Very high | 94.3 | Very high | 108 Ų | 108 | 37.1 Ų | 37.1 | 51% | 0.505 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -85 | -42.8 | -177.4 | -175.4 | 172.9 | 172.1 | 0 | 0 | 112.6 | R505 A506 Y507 | R505-E509 WeakPolarHBondContact O-CB 3.48Å; R505-E509 PolarHBondContact O-N 3.02Å; A506-E509 PolarHBondContact O-N 3.43Å; Y507-E509 VanDerWaalsContact C-N 3.31Å; Y507-E509 PolarHBondContact O-N 2.02Å |
| 510 | Y | 89.6 | Confident | 94.1 | Very high | 93 Ų | 93 | 39.3 Ų | 39.3 | 37% | 0.365 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -109.9 | -0.7 | -171.7 | -57.9 | -84.4 | 0 | 0 | 0 | 113.8 | A506 A512 F514 K524 | A506-Y510 HydrophobicContact CB-CD2 4.44Å; A506-Y510 WeakPolarHBondContact O-CB 3.3Å; A506-Y510 VanDerWaalsContact O-CD2 3.31Å; A506-Y510 WeakPolarHBondContact O-CD2 3.48Å; A506-Y510 PolarHBondContact O-N 3.47Å; Y510-A512 PolarHBondContact O-N 2.77Å; Y510-A512 VanDerWaalsContact O-N 3.09Å; Y510-F514 HydrophobicContact CD2-CE2 4.33Å; Y510-F514 HydrophobicContact CD2-CZ 4.49Å; Y510-F514 HydrophobicContact CG-CE2 4.26Å; Y510-F514 HydrophobicContact CG-CZ 4.02Å; Y510-K524 HydrophobicContact CE2-CB 4.44Å |
| 511 | E | 89.9 | Confident | 93.6 | Very high | 168 Ų | 168 | 42.4 Ų | 42.4 | 79% | 0.785 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 55.6 | 25.5 | 179.6 | -57.1 | -171.6 | 142.2 | 0 | 0 | 114.2 | Y507 | Y507-E511 WeakPolarHBondContact O-CA 3.01Å; Y507-E511 PolarHBondContact O-N 2.94Å |
| 512 | A | 90.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -147.9 | 156.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y510 F514 L535 | Y510-A512 PolarHBondContact O-N 2.77Å; Y510-A512 VanDerWaalsContact O-N 3.09Å; A512-F514 HydrophobicContact CB-CE1 4.43Å; A512-F514 HydrophobicContact CB-CE2 4.26Å; A512-F514 HydrophobicContact CB-CZ 3.95Å; A512-F514 VanDerWaalsContact O-CE2 3.27Å; A512-F514 WeakPolarHBondContact O-CE2 3.29Å; A512-L535 HydrophobicContact CB-CD2 3.9Å |
| 513 | M | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -99.7 | 138.1 | 166.8 | -64.4 | -69.1 | -82 | 0 | 0 | 108.7 | W126 I130 L133 N503 Y507 G536 F537 T540 N541 A544 | W126-M513 HydrophobicContact CZ2-CE 3.96Å; W126-M513 HydrophobicContact CZ2-SD 3.83Å; I130-M513 HydrophobicContact CD1-CE 4.08Å; I130-M513 HydrophobicContact CG1-CE 4.41Å; L133-M513 HydrophobicContact CD1-CG 4.09Å; N503-M513 HydrophobicContact CB-CE 4.34Å; Y507-M513 HydrophobicContact CD2-CG 3.7Å; Y507-M513 HydrophobicContact CD2-SD 3.76Å; Y507-M513 HydrophobicContact CE2-CG 4.05Å; Y507-M513 HydrophobicContact CG-SD 4.37Å; M513-G536 CarbonylContact O-C 3.22Å; M513-G536 PolarHBondContact O-N 3.25Å; M513-F537 PolarHBondContact O-N 3.09Å; M513-T540 HydrophobicContact CE-CG2 3.49Å; M513-T540 VanDerWaalsContact CE-CG2 3.49Å; M513-N541 VanDerWaalsContact CB-OD1 3.27Å; M513-N541 WeakPolarHBondContact CB-OD1 3.39Å; M513-N541 VanDerWaalsContact CG-OD1 3.29Å; M513-N541 WeakPolarHBondContact CG-OD1 3.17Å; M513-A544 HydrophobicContact CE-CB 4.15Å | ||
| 514 | F | 93.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -109.2 | 156.7 | -174.1 | -59.4 | -85.8 | 0 | 0 | 0 | 112.2 | Y510 A512 K516 Y517 P525 V533 L535 T540 | Y510-F514 HydrophobicContact CD2-CE2 4.33Å; Y510-F514 HydrophobicContact CD2-CZ 4.49Å; Y510-F514 HydrophobicContact CG-CE2 4.26Å; Y510-F514 HydrophobicContact CG-CZ 4.02Å; A512-F514 HydrophobicContact CB-CE1 4.43Å; A512-F514 HydrophobicContact CB-CE2 4.26Å; A512-F514 HydrophobicContact CB-CZ 3.95Å; A512-F514 VanDerWaalsContact O-CE2 3.27Å; A512-F514 WeakPolarHBondContact O-CE2 3.29Å; F514-K516 VanDerWaalsContact C-N 3.31Å; F514-K516 PolarHBondContact O-N 3.01Å; F514-Y517 HydrophobicContact CB-CE1 4.28Å; F514-Y517 HydrophobicContact CB-CE2 4.19Å; F514-Y517 AromaticContact CD2-CE1 3.93Å; F514-Y517 HydrophobicContact CD2-CE1 3.93Å; F514-Y517 PolarHBondContact N-OH 3.11Å; F514-Y517 WeakPolarHBondContact O-CE2 3.12Å; F514-P525 HydrophobicContact CB-CB 4.47Å; F514-P525 HydrophobicContact CD1-CB 3.59Å; F514-P525 HydrophobicContact CD1-CG 3.44Å; F514-P525 VanDerWaalsContact CD1-CG 3.44Å; F514-P525 HydrophobicContact CD2-CB 4.42Å; F514-P525 HydrophobicContact CD2-CG 3.82Å; F514-P525 HydrophobicContact CE1-CB 3.86Å; F514-P525 HydrophobicContact CE1-CG 3.22Å; F514-P525 HydrophobicContact CE2-CG 3.66Å; F514-P525 HydrophobicContact CG-CB 3.89Å; F514-P525 HydrophobicContact CG-CG 3.72Å; F514-P525 HydrophobicContact CZ-CB 4.41Å; F514-P525 HydrophobicContact CZ-CG 3.36Å; F514-V533 HydrophobicContact CB-CG2 4.47Å; F514-V533 HydrophobicContact CD1-CG2 4.28Å; F514-L535 HydrophobicContact CD1-CD2 3.6Å; F514-L535 HydrophobicContact CE1-CD2 3.2Å; F514-L535 HydrophobicContact CZ-CD2 4.05Å; F514-T540 WeakPolarHBondContact O-CB 3.14Å; F514-T540 PolarHBondContact O-OG1 3.47Å |
| 515 | E | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -55.5 | -44.2 | 171.7 | -179.3 | -178.8 | -137.7 | 0 | 0 | 112.7 | W469 P470 Y531 Q534 F537 W539 | W469-E515 HydrophobicContact CE3-CG 4.22Å; W469-E515 HydrophobicContact CH2-CG 3.95Å; W469-E515 HydrophobicContact CZ3-CG 3.44Å; W469-E515 VanDerWaalsContact CZ3-CG 3.44Å; P470-E515 VanDerWaalsContact CD-O 3.22Å; P470-E515 WeakPolarHBondContact CD-O 3.14Å; E515-Y531 PolarHBondContact OE1-OH 3.45Å; E515-Q534 HydrophobicContact CB-CB 4.4Å; E515-Q534 PolarHBondContact N-O 2.77Å; E515-Q534 VanDerWaalsContact N-O 3.15Å; E515-F537 HydrophobicContact CB-CD2 3.58Å; E515-F537 HydrophobicContact CB-CE2 3.69Å; E515-F537 HydrophobicContact CB-CG 4.06Å; E515-F537 HydrophobicContact CB-CZ 4.25Å; E515-F537 HydrophobicContact CG-CD2 4.05Å; E515-F537 HydrophobicContact CG-CE1 4.32Å; E515-F537 HydrophobicContact CG-CE2 3.64Å; E515-F537 HydrophobicContact CG-CZ 3.77Å; E515-W539 HydrophobicContact CG-CZ2 3.79Å; E515-W539 PolarHBondContact O-NE1 3.19Å |
| 516 | K | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -151.6 | 158.7 | -173.1 | 67.3 | -157.3 | 179.4 | -134.8 | 0 | 111.3 | Q462 W469 F514 G526 G527 V533 | Q462-K516 HydrophobicContact CB-CD 4.43Å; W469-K516 HydrophobicContact CD2-CB 3.82Å; W469-K516 HydrophobicContact CD2-CD 4.43Å; W469-K516 HydrophobicContact CE3-CB 4.08Å; W469-K516 HydrophobicContact CG-CB 4.28Å; W469-K516 HydrophobicContact CH2-CB 4.41Å; W469-K516 HydrophobicContact CH2-CD 3.53Å; W469-K516 HydrophobicContact CZ2-CB 4.13Å; W469-K516 HydrophobicContact CZ2-CD 3.17Å; W469-K516 HydrophobicContact CZ2-CG 4.27Å; W469-K516 HydrophobicContact CZ3-CB 4.38Å; W469-K516 HydrophobicContact CZ3-CD 4.28Å; F514-K516 VanDerWaalsContact C-N 3.31Å; F514-K516 PolarHBondContact O-N 3.01Å; K516-G526 PolarHBondContact O-N 3.16Å; K516-G527 WeakPolarHBondContact CE-O 3.46Å; K516-V533 HydrophobicContact CG-CG2 4.49Å | ||
| 517 | Y | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.6 | -172.4 | -65.2 | -98.1 | 0 | 0 | 0 | 111.2 | N467 A468 W499 T502 N503 A506 F514 G523 T540 | N467-Y517 CarbonylContact C-O 3.46Å; N467-Y517 WeakPolarHBondContact CA-O 3.46Å; A468-Y517 PolarHBondContact N-O 3.37Å; A468-Y517 PolarHBondContact O-N 3.19Å; W499-Y517 AromaticContact CH2-CD2 3.55Å; W499-Y517 HydrophobicContact CH2-CD2 3.55Å; W499-Y517 HydrophobicContact CH2-CE2 4.37Å; W499-Y517 HydrophobicContact CH2-CG 4.09Å; W499-Y517 AromaticContact CZ2-CD2 3.98Å; W499-Y517 HydrophobicContact CZ2-CD2 3.98Å; W499-Y517 HydrophobicContact CZ2-CE2 4.37Å; W499-Y517 HydrophobicContact CZ3-CD2 4.35Å; W499-Y517 HydrophobicContact CZ3-CG 4.47Å; T502-Y517 HydrophobicContact CG2-CD1 4.2Å; N503-Y517 VanDerWaalsContact ND2-CE2 3.33Å; N503-Y517 WeakPolarHBondContact ND2-CE2 3.46Å; N503-Y517 VanDerWaalsContact ND2-CZ 3.32Å; A506-Y517 HydrophobicContact CB-CD1 4.2Å; A506-Y517 HydrophobicContact CB-CE1 3.66Å; F514-Y517 HydrophobicContact CB-CE1 4.28Å; F514-Y517 HydrophobicContact CB-CE2 4.19Å; F514-Y517 AromaticContact CD2-CE1 3.93Å; F514-Y517 HydrophobicContact CD2-CE1 3.93Å; F514-Y517 PolarHBondContact N-OH 3.11Å; F514-Y517 WeakPolarHBondContact O-CE2 3.12Å; Y517-G523 WeakPolarHBondContact CD1-O 3.39Å; Y517-T540 HydrophobicContact CE2-CG2 3.64Å |
| 518 | D | 96.3 | Very high | 90.8 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.5 | 170.8 | -169.5 | -30.9 | 0 | 0 | 0 | 109.5 | N520 K524 | D518-N520 PolarHBondContact O-N 3.41Å; D518-N520 WeakPolarHBondContact OD1-CA 3.05Å; D518-N520 VanDerWaalsContact OD1-CB 3.27Å; D518-N520 WeakPolarHBondContact OD1-CB 3.45Å; D518-N520 PolarHBondContact OD1-N 2.89Å; D518-N520 PolarHBondContact OD1-ND2 3.04Å; D518-N520 VanDerWaalsContact OD1-ND2 3.12Å; D518-K524 HydrophobicContact CB-CG 4.01Å; D518-K524 PolarHBondContact N-O 2.89Å; D518-K524 VanDerWaalsContact OD2-CE 3.27Å; D518-K524 WeakPolarHBondContact OD2-CE 3.29Å |
| 519 | V | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -70.2 | -15.2 | 179.2 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | F448 P449 N450 P453 Y465 P466 A468 | F448-V519 HydrophobicContact CB-CB 3.79Å; F448-V519 HydrophobicContact CB-CG2 3.91Å; F448-V519 HydrophobicContact CD1-CB 4.35Å; F448-V519 HydrophobicContact CD1-CG2 3.53Å; F448-V519 HydrophobicContact CD2-CG2 4.28Å; F448-V519 HydrophobicContact CE1-CG2 4.13Å; F448-V519 HydrophobicContact CG-CB 4.07Å; F448-V519 HydrophobicContact CG-CG2 3.62Å; P449-V519 WeakPolarHBondContact CD-O 3.42Å; P449-V519 WeakPolarHBondContact CG-O 3.21Å; N450-V519 WeakPolarHBondContact CB-O 3.46Å; N450-V519 PolarHBondContact N-O 2.8Å; P453-V519 HydrophobicContact CB-CG1 3.86Å; P453-V519 HydrophobicContact CB-CG2 4.01Å; P453-V519 HydrophobicContact CG-CG2 4.4Å; Y465-V519 HydrophobicContact CD2-CG2 4.27Å; Y465-V519 HydrophobicContact CE2-CG2 4.03Å; P466-V519 HydrophobicContact CB-CG2 4.46Å; P466-V519 WeakPolarHBondContact O-CG2 3.4Å; P466-V519 PolarHBondContact O-N 3.29Å; A468-V519 HydrophobicContact CB-CG1 3.38Å |
| 520 | N | 93.4 | Very high | 89.8 | Confident | 46 Ų | 46 | 37 Ų | 37 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.1 | 172.2 | -179.8 | -55.8 | -70.5 | 0 | 0 | 0 | 112.3 | F448 N450 Y465 P466 D518 D522 G523 | F448-N520 WeakPolarHBondContact CD1-OD1 3.21Å; N450-N520 PolarHBondContact ND2-O 2.86Å; Y465-N520 PolarHBondContact OH-ND2 3.4Å; P466-N520 WeakPolarHBondContact CB-ND2 3.38Å; D518-N520 PolarHBondContact O-N 3.41Å; D518-N520 WeakPolarHBondContact OD1-CA 3.05Å; D518-N520 VanDerWaalsContact OD1-CB 3.27Å; D518-N520 WeakPolarHBondContact OD1-CB 3.45Å; D518-N520 PolarHBondContact OD1-N 2.89Å; D518-N520 PolarHBondContact OD1-ND2 3.04Å; D518-N520 VanDerWaalsContact OD1-ND2 3.12Å; N520-D522 PolarHBondContact O-N 3.05Å; N520-G523 PolarHBondContact O-N 2.98Å |
| 521 | G | 86.6 | Confident | 89.4 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 67% | 0.67 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -131.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N450 | N450-G521 PolarHBondContact ND2-O 2.83Š|
| 522 | D | 82.1 | Confident | 88.8 | Confident | 68 Ų | 68 | 34.3 Ų | 34.3 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.1 | -178.4 | 53.8 | 6.4 | 0 | 0 | 0 | 114.2 | N520 K524 | N520-D522 PolarHBondContact O-N 3.05Å; D522-K524 VanDerWaalsContact OD1-CB 3.31Å; D522-K524 WeakPolarHBondContact OD1-CB 3.19Å; D522-K524 PolarHBondContact OD1-N 2.87Å |
| 523 | G | 79.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | 80.5 | 30.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N450 Y517 N520 | N450-G523 WeakPolarHBondContact ND2-CA 3.12Å; N450-G523 PolarHBondContact ND2-N 2.97Å; Y517-G523 WeakPolarHBondContact CD1-O 3.39Å; N520-G523 PolarHBondContact O-N 2.98Å | ||
| 524 | K | 88.9 | Confident | 88 | Confident | 95 Ų | 95 | 36.6 Ų | 36.6 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | trans | -51.2 | 164.1 | 169.8 | 66.3 | 177.5 | -178.2 | 175.9 | 0 | 112.5 | Y510 D518 D522 G526 | Y510-K524 HydrophobicContact CE2-CB 4.44Å; D518-K524 HydrophobicContact CB-CG 4.01Å; D518-K524 PolarHBondContact N-O 2.89Å; D518-K524 VanDerWaalsContact OD2-CE 3.27Å; D518-K524 WeakPolarHBondContact OD2-CE 3.29Å; D522-K524 VanDerWaalsContact OD1-CB 3.31Å; D522-K524 WeakPolarHBondContact OD1-CB 3.19Å; D522-K524 PolarHBondContact OD1-N 2.87Å; K524-G526 PolarHBondContact O-N 3.1Å | ||
| 525 | P | 89.3 | Confident | 87.3 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -52.6 | 134.5 | 174.2 | -25.5 | 36.6 | 0 | 0 | 0 | 111.2 | F514 V533 | F514-P525 HydrophobicContact CB-CB 4.47Å; F514-P525 HydrophobicContact CD1-CB 3.59Å; F514-P525 HydrophobicContact CD1-CG 3.44Å; F514-P525 VanDerWaalsContact CD1-CG 3.44Å; F514-P525 HydrophobicContact CD2-CB 4.42Å; F514-P525 HydrophobicContact CD2-CG 3.82Å; F514-P525 HydrophobicContact CE1-CB 3.86Å; F514-P525 HydrophobicContact CE1-CG 3.22Å; F514-P525 HydrophobicContact CE2-CG 3.66Å; F514-P525 HydrophobicContact CG-CB 3.89Å; F514-P525 HydrophobicContact CG-CG 3.72Å; F514-P525 HydrophobicContact CZ-CB 4.41Å; F514-P525 HydrophobicContact CZ-CG 3.36Å; P525-V533 HydrophobicContact CB-CG1 3.97Å; P525-V533 HydrophobicContact CB-CG2 4.07Å |
| 526 | G | 88.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | trans | -69.3 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | N467 K516 K524 V533 | N467-G526 WeakPolarHBondContact OD1-CA 3.24Å; K516-G526 PolarHBondContact O-N 3.16Å; K524-G526 PolarHBondContact O-N 3.1Å; G526-V533 WeakPolarHBondContact O-CB 3.42Å | ||
| 527 | G | 91.6 | Very high | 86.5 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | trans | -145.5 | -160.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N467 K516 | N467-G527 PolarHBondContact ND2-O 3.08Å; N467-G527 PolarHBondContact OD1-N 3.2Å; K516-G527 WeakPolarHBondContact CE-O 3.46Å | ||
| 528 | G | 86.8 | Confident | 86.4 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | trans | 77.3 | 174 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G460 Q462 | G460-G528 WeakPolarHBondContact O-CA 3.23Å; Q462-G528 WeakPolarHBondContact CB-O 3.41Å | ||
| 529 | G | 86.2 | Confident | 86.4 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 80.5 | -159.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G460 | G460-G529 PolarHBondContact O-N 3.02Š|
| 530 | E | 78.7 | Confident | 86.5 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -90 | -7.1 | -170.3 | -60.4 | 179 | 159.2 | 0 | 0 | 113.7 | R285 S288 F321 | R285-E530 IonicContact CZ-OE1 2.61Å; R285-E530 IonicContact CZ-OE2 3.43Å; R285-E530 IonicContact NH1-OE2 3.49Å; R285-E530 PolarHBondContact NH1-OE2 2.82Å; R285-E530 VanDerWaalsContact NH2-CD 3.32Å; R285-E530 IonicContact NH2-OE1 2.84Å; R285-E530 PolarHBondContact NH2-OE1 2.89Å; R285-E530 IonicContact NH2-OE2 3.33Å; R285-E530 PolarHBondContact NH2-OE2 3.09Å; S288-E530 PolarHBondContact OG-OE2 2.84Å; F321-E530 VanDerWaalsContact CE2-OE1 3.26Å; F321-E530 WeakPolarHBondContact CE2-OE1 3.47Å |
| 531 | Y | 80.7 | Confident | 86.7 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -148.4 | 158 | -176.8 | 59.1 | -94.6 | 0 | 0 | 0 | 113.5 | F168 Q462 E515 Q534 | F168-Y531 HydrophobicContact CE2-CE2 4.24Å; F168-Y531 HydrophobicContact CZ-CE1 4.44Å; F168-Y531 AromaticContact CZ-CE2 3.9Å; F168-Y531 HydrophobicContact CZ-CE2 3.9Å; F168-Y531 AromaticContact CZ-CZ 3.73Å; Q462-Y531 PolarHBondContact NE2-OH 3.11Å; Q462-Y531 PolarHBondContact OE1-OH 2.87Å; E515-Y531 PolarHBondContact OE1-OH 3.45Å; Y531-Q534 HydrophobicContact CD2-CG 4.31Å; Y531-Q534 HydrophobicContact CE2-CG 4.17Å |
| 532 | E | 77.6 | Confident | 87.2 | Confident | 163 Ų | 163 | 35.1 Ų | 35.1 | 76% | 0.762 | 21% | 0.205 | S | C | * | . | P | Polyproline II helix | trans | -63.9 | 149.9 | 177.7 | -67.4 | -62.6 | 156.1 | 0 | 0 | 112.6 | Q534 | E532-Q534 PolarHBondContact O-N 2.82Å; E532-Q534 PolarHBondContact O-NE2 3.18Å |
| 533 | V | 80.6 | Confident | 88 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 24% | 0.242 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 137.3 | -179.4 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | F514 K516 P525 G526 | F514-V533 HydrophobicContact CB-CG2 4.47Å; F514-V533 HydrophobicContact CD1-CG2 4.28Å; K516-V533 HydrophobicContact CG-CG2 4.49Å; P525-V533 HydrophobicContact CB-CG1 3.97Å; P525-V533 HydrophobicContact CB-CG2 4.07Å; G526-V533 WeakPolarHBondContact O-CB 3.42Å |
| 534 | Q | 86.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -98 | 147.5 | -175.4 | -59.1 | -60.4 | -55.7 | 0 | 0 | 113.2 | R167 F168 E515 Y531 E532 F537 | R167-Q534 HydrophobicContact CG-CG 4.23Å; F168-Q534 HydrophobicContact CD2-CB 4.46Å; F168-Q534 HydrophobicContact CD2-CG 4.09Å; F168-Q534 HydrophobicContact CE2-CB 4.3Å; F168-Q534 HydrophobicContact CE2-CG 3.66Å; E515-Q534 HydrophobicContact CB-CB 4.4Å; E515-Q534 PolarHBondContact N-O 2.77Å; E515-Q534 VanDerWaalsContact N-O 3.15Å; Y531-Q534 HydrophobicContact CD2-CG 4.31Å; Y531-Q534 HydrophobicContact CE2-CG 4.17Å; E532-Q534 PolarHBondContact O-N 2.82Å; E532-Q534 PolarHBondContact O-NE2 3.18Å; Q534-F537 HydrophobicContact CB-CD2 4.06Å; Q534-F537 HydrophobicContact CB-CE2 4.04Å |
| 535 | L | 80.7 | Confident | 89.4 | Confident | 94 Ų | 94 | 27.4 Ų | 27.4 | 49% | 0.492 | 17% | 0.168 | S | C | . | . | B | Isolated β-bridge | trans | -100.4 | 142.5 | 179.4 | -55.1 | 178.2 | 0 | 0 | 0 | 111.4 | G165 G166 A512 F514 | G165-L535 CarbonylContact C-O 3.6Å; G165-L535 WeakPolarHBondContact CA-O 3.48Å; G166-L535 PolarHBondContact N-O 3.21Å; A512-L535 HydrophobicContact CB-CD2 3.9Å; F514-L535 HydrophobicContact CD1-CD2 3.6Å; F514-L535 HydrophobicContact CE1-CD2 3.2Å; F514-L535 HydrophobicContact CZ-CD2 4.05Å |
| 536 | G | 79.5 | Confident | 89.8 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 158 | -63.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | M513 N541 | M513-G536 CarbonylContact O-C 3.22Å; M513-G536 PolarHBondContact O-N 3.25Å; G536-N541 PolarHBondContact O-ND2 3.12Å; G536-N541 PolarHBondContact O-OD1 3.37Å |
| 537 | F | 90.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | cis | -109.3 | 132.4 | -44.8 | -168.2 | -75.4 | 0 | 0 | 0 | 107.3 | P164 F168 M513 E515 Q534 W539 T540 N541 | P164-F537 HydrophobicContact CB-CD1 4.02Å; P164-F537 HydrophobicContact CB-CD2 4.28Å; P164-F537 HydrophobicContact CB-CE1 3.49Å; P164-F537 VanDerWaalsContact CB-CE1 3.49Å; P164-F537 HydrophobicContact CB-CE2 3.74Å; P164-F537 HydrophobicContact CB-CG 4.44Å; P164-F537 HydrophobicContact CB-CZ 3.34Å; P164-F537 HydrophobicContact CG-CZ 4.4Å; P164-F537 CarbonylContact O-C 3.48Å; P164-F537 VanDerWaalsContact O-CA 3.22Å; P164-F537 WeakPolarHBondContact O-CA 3.29Å; F168-F537 AromaticContact CD2-CE2 3.67Å; F168-F537 HydrophobicContact CD2-CE2 3.67Å; F168-F537 HydrophobicContact CD2-CZ 4.06Å; F168-F537 AromaticContact CE2-CE2 3.89Å; F168-F537 HydrophobicContact CE2-CE2 3.89Å; F168-F537 HydrophobicContact CE2-CZ 4.23Å; M513-F537 PolarHBondContact O-N 3.09Å; E515-F537 HydrophobicContact CB-CD2 3.58Å; E515-F537 HydrophobicContact CB-CE2 3.69Å; E515-F537 HydrophobicContact CB-CG 4.06Å; E515-F537 HydrophobicContact CB-CZ 4.25Å; E515-F537 HydrophobicContact CG-CD2 4.05Å; E515-F537 HydrophobicContact CG-CE1 4.32Å; E515-F537 HydrophobicContact CG-CE2 3.64Å; E515-F537 HydrophobicContact CG-CZ 3.77Å; Q534-F537 HydrophobicContact CB-CD2 4.06Å; Q534-F537 HydrophobicContact CB-CE2 4.04Å; F537-W539 AromaticContact CD1-CD1 3.09Å; F537-W539 HydrophobicContact CD1-CD2 4.26Å; F537-W539 AromaticContact CD1-CE2 3.79Å; F537-W539 AromaticContact CD1-CG 3.84Å; F537-W539 HydrophobicContact CD1-CG 3.84Å; F537-W539 HydrophobicContact CD1-CZ2 4.49Å; F537-W539 AromaticContact CD1-NE1 3.16Å; F537-W539 AromaticContact CE1-CD1 3.44Å; F537-W539 VanDerWaalsContact CE1-CD1 3.44Å; F537-W539 AromaticContact CE1-CD2 3.81Å; F537-W539 HydrophobicContact CE1-CD2 3.81Å; F537-W539 AromaticContact CE1-CE2 3.34Å; F537-W539 AromaticContact CE1-CG 3.84Å; F537-W539 HydrophobicContact CE1-CG 3.84Å; F537-W539 AromaticContact CE1-CZ2 3.74Å; F537-W539 HydrophobicContact CE1-CZ2 3.74Å; F537-W539 AromaticContact CE1-NE1 3.23Å; F537-W539 HydrophobicContact CZ-CZ2 4.11Å; F537-W539 PolarHBondContact O-N 3.33Å; F537-T540 WeakPolarHBondContact O-CB 3.48Å; F537-T540 PolarHBondContact O-N 3.31Å; F537-N541 PolarHBondContact N-OD1 3.25Å; F537-N541 VanDerWaalsContact O-CG 3.27Å; F537-N541 PolarHBondContact O-N 3.4Å; F537-N541 PolarHBondContact O-OD1 3.38Å | ||
| 538 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -47.4 | -52 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | P164 V179 T540 G542 | P164-G538 PolarHBondContact O-N 3.11Å; V179-G538 VanDerWaalsContact CG2-C 3.46Å; G538-T540 VanDerWaalsContact C-N 3.3Å; G538-T540 PolarHBondContact O-N 3.47Å; G538-G542 PolarHBondContact O-N 2.93Å |
| 539 | W | 96.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.6 | -25.9 | 179.4 | 65 | 6.4 | 0 | 0 | 0 | 114.1 | W174 W178 W463 W469 P470 P471 E515 F537 G542 V543 | W174-W539 AromaticContact CE2-CZ3 3.87Å; W174-W539 HydrophobicContact CZ2-CH2 4.34Å; W174-W539 AromaticContact CZ2-CZ3 3.75Å; W174-W539 HydrophobicContact CZ2-CZ3 3.75Å; W174-W539 AromaticContact NE1-CZ3 3.92Å; W178-W539 HydrophobicContact CB-CB 3.97Å; W178-W539 HydrophobicContact CD2-CB 4.5Å; W178-W539 HydrophobicContact CE3-CB 4.22Å; W178-W539 HydrophobicContact CE3-CE3 4.4Å; W178-W539 HydrophobicContact CG-CB 4.42Å; W178-W539 HydrophobicContact CZ3-CE3 4.41Å; W463-W539 AromaticContact CH2-CH2 3.89Å; W463-W539 HydrophobicContact CH2-CH2 3.89Å; W463-W539 HydrophobicContact CH2-CZ3 4.22Å; W463-W539 AromaticContact CZ2-CH2 3.84Å; W463-W539 HydrophobicContact CZ2-CH2 3.84Å; W463-W539 HydrophobicContact CZ2-CZ3 4.45Å; W469-W539 HydrophobicContact CD2-CZ2 4.45Å; W469-W539 AromaticContact CE3-CH2 3.3Å; W469-W539 HydrophobicContact CE3-CH2 3.3Å; W469-W539 AromaticContact CE3-CZ2 3.12Å; W469-W539 HydrophobicContact CE3-CZ2 3.12Å; W469-W539 HydrophobicContact CE3-CZ3 4.45Å; W469-W539 AromaticContact CZ3-CH2 3.37Å; W469-W539 HydrophobicContact CZ3-CH2 3.37Å; W469-W539 AromaticContact CZ3-CZ2 3.21Å; W469-W539 HydrophobicContact CZ3-CZ2 3.21Å; P470-W539 HydrophobicContact CB-CG 4.41Å; P470-W539 HydrophobicContact CG-CG 4.39Å; P471-W539 HydrophobicContact CB-CE3 4.24Å; P471-W539 HydrophobicContact CG-CD2 4.16Å; P471-W539 HydrophobicContact CG-CE3 3.61Å; P471-W539 HydrophobicContact CG-CH2 4.34Å; P471-W539 HydrophobicContact CG-CZ3 3.7Å; E515-W539 HydrophobicContact CG-CZ2 3.79Å; E515-W539 PolarHBondContact O-NE1 3.19Å; F537-W539 AromaticContact CD1-CD1 3.09Å; F537-W539 HydrophobicContact CD1-CD2 4.26Å; F537-W539 AromaticContact CD1-CE2 3.79Å; F537-W539 AromaticContact CD1-CG 3.84Å; F537-W539 HydrophobicContact CD1-CG 3.84Å; F537-W539 HydrophobicContact CD1-CZ2 4.49Å; F537-W539 AromaticContact CD1-NE1 3.16Å; F537-W539 AromaticContact CE1-CD1 3.44Å; F537-W539 VanDerWaalsContact CE1-CD1 3.44Å; F537-W539 AromaticContact CE1-CD2 3.81Å; F537-W539 HydrophobicContact CE1-CD2 3.81Å; F537-W539 AromaticContact CE1-CE2 3.34Å; F537-W539 AromaticContact CE1-CG 3.84Å; F537-W539 HydrophobicContact CE1-CG 3.84Å; F537-W539 AromaticContact CE1-CZ2 3.74Å; F537-W539 HydrophobicContact CE1-CZ2 3.74Å; F537-W539 AromaticContact CE1-NE1 3.23Å; F537-W539 HydrophobicContact CZ-CZ2 4.11Å; F537-W539 PolarHBondContact O-N 3.33Å; W539-G542 PolarHBondContact O-N 3.39Å; W539-V543 VanDerWaalsContact O-CB 3.31Å; W539-V543 WeakPolarHBondContact O-CB 3.41Å; W539-V543 WeakPolarHBondContact O-CG2 3.4Å; W539-V543 PolarHBondContact O-N 3.35Å |
| 540 | T | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77 | -42.5 | -175.1 | -52.6 | 0 | 0 | 0 | 0 | 106.8 | P470 M513 F514 Y517 F537 G538 V543 A544 | P470-T540 HydrophobicContact CG-CG2 3.97Å; P470-T540 WeakPolarHBondContact CG-OG1 3.46Å; M513-T540 HydrophobicContact CE-CG2 3.49Å; M513-T540 VanDerWaalsContact CE-CG2 3.49Å; F514-T540 WeakPolarHBondContact O-CB 3.14Å; F514-T540 PolarHBondContact O-OG1 3.47Å; Y517-T540 HydrophobicContact CE2-CG2 3.64Å; F537-T540 WeakPolarHBondContact O-CB 3.48Å; F537-T540 PolarHBondContact O-N 3.31Å; G538-T540 VanDerWaalsContact C-N 3.3Å; G538-T540 PolarHBondContact O-N 3.47Å; T540-V543 PolarHBondContact O-N 3.43Å; T540-A544 WeakPolarHBondContact O-CB 3.28Å; T540-A544 PolarHBondContact O-N 2.83Å |
| 541 | N | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -52.2 | 171.4 | -57.5 | -3 | 0 | 0 | 0 | 109.1 | I130 W134 M513 G536 F537 V543 A544 L545 | I130-N541 HydrophobicContact CG2-CB 3.67Å; W134-N541 HydrophobicContact CH2-CB 3.58Å; W134-N541 HydrophobicContact CZ2-CB 4.04Å; W134-N541 HydrophobicContact CZ3-CB 4.07Å; M513-N541 VanDerWaalsContact CB-OD1 3.27Å; M513-N541 WeakPolarHBondContact CB-OD1 3.39Å; M513-N541 VanDerWaalsContact CG-OD1 3.29Å; M513-N541 WeakPolarHBondContact CG-OD1 3.17Å; G536-N541 PolarHBondContact O-ND2 3.12Å; G536-N541 PolarHBondContact O-OD1 3.37Å; F537-N541 PolarHBondContact N-OD1 3.25Å; F537-N541 VanDerWaalsContact O-CG 3.27Å; F537-N541 PolarHBondContact O-N 3.4Å; F537-N541 PolarHBondContact O-OD1 3.38Å; N541-V543 PolarHBondContact O-N 3.5Å; N541-A544 PolarHBondContact O-N 3.26Å; N541-L545 VanDerWaalsContact O-CG 3.3Å; N541-L545 WeakPolarHBondContact O-CG 3.32Å; N541-L545 PolarHBondContact O-N 3.15Å |
| 542 | G | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W178 G538 W539 Q546 | W178-G542 VanDerWaalsContact O-CA 3.27Å; W178-G542 WeakPolarHBondContact O-CA 3.29Å; G538-G542 PolarHBondContact O-N 2.93Å; W539-G542 PolarHBondContact O-N 3.39Å; G542-Q546 VanDerWaalsContact O-CG 3.32Å; G542-Q546 WeakPolarHBondContact O-CG 3.38Å; G542-Q546 PolarHBondContact O-N 2.86Å; G542-Q546 VanDerWaalsContact O-N 3.09Å; G542-Q546 PolarHBondContact O-NE2 2.87Å |
| 543 | V | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.4 | -45.3 | 177.4 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | W178 P470 H474 W539 T540 N541 L545 Q546 L547 | W178-V543 HydrophobicContact CB-CG2 4.19Å; W178-V543 HydrophobicContact CG-CG2 3.74Å; P470-V543 HydrophobicContact CB-CB 4.07Å; P470-V543 HydrophobicContact CB-CG1 4.34Å; P470-V543 HydrophobicContact CB-CG2 3.9Å; H474-V543 HydrophobicContact CB-CB 4.45Å; H474-V543 HydrophobicContact CB-CG1 3.91Å; H474-V543 HydrophobicContact CB-CG2 3.73Å; W539-V543 VanDerWaalsContact O-CB 3.31Å; W539-V543 WeakPolarHBondContact O-CB 3.41Å; W539-V543 WeakPolarHBondContact O-CG2 3.4Å; W539-V543 PolarHBondContact O-N 3.35Å; T540-V543 PolarHBondContact O-N 3.43Å; N541-V543 PolarHBondContact O-N 3.5Å; V543-L545 PolarHBondContact O-N 3.4Å; V543-Q546 PolarHBondContact O-N 2.98Å; V543-L547 HydrophobicContact CG1-CD1 3.94Å; V543-L547 HydrophobicContact CG1-CG 4.43Å; V543-L547 WeakPolarHBondContact O-CG 3.39Å; V543-L547 PolarHBondContact O-N 3.36Å |
| 544 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W126 I130 I500 M513 T540 N541 Q546 L547 L548 | W126-A544 HydrophobicContact CH2-CB 3.96Å; I130-A544 HydrophobicContact CD1-CB 4.07Å; I500-A544 HydrophobicContact CD1-CB 4.1Å; M513-A544 HydrophobicContact CE-CB 4.15Å; T540-A544 WeakPolarHBondContact O-CB 3.28Å; T540-A544 PolarHBondContact O-N 2.83Å; N541-A544 PolarHBondContact O-N 3.26Å; A544-Q546 PolarHBondContact O-N 3.15Å; A544-L547 PolarHBondContact O-N 3.44Å; A544-L548 VanDerWaalsContact O-CB 3.31Å; A544-L548 WeakPolarHBondContact O-CB 3.43Å; A544-L548 WeakPolarHBondContact O-CD1 3.47Å; A544-L548 VanDerWaalsContact O-CG 3.22Å; A544-L548 WeakPolarHBondContact O-CG 3.5Å; A544-L548 PolarHBondContact O-N 3.06Å |
| 545 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.3 | -65.5 | -171.1 | 0 | 0 | 0 | 112.2 | F114 A127 I130 W134 L185 N541 V543 L548 D549 | F114-L545 HydrophobicContact CE2-CD2 3.8Å; F114-L545 HydrophobicContact CZ-CD1 4.28Å; F114-L545 HydrophobicContact CZ-CD2 3.66Å; F114-L545 HydrophobicContact CZ-CG 4.43Å; A127-L545 HydrophobicContact CB-CD2 4.46Å; I130-L545 HydrophobicContact CB-CD2 4.08Å; I130-L545 HydrophobicContact CG2-CD1 4.3Å; I130-L545 HydrophobicContact CG2-CD2 3.82Å; I130-L545 HydrophobicContact CG2-CG 3.92Å; W134-L545 HydrophobicContact CZ2-CD1 3.9Å; L185-L545 HydrophobicContact CD1-CB 4.48Å; N541-L545 VanDerWaalsContact O-CG 3.3Å; N541-L545 WeakPolarHBondContact O-CG 3.32Å; N541-L545 PolarHBondContact O-N 3.15Å; V543-L545 PolarHBondContact O-N 3.4Å; L545-L548 PolarHBondContact O-N 3.49Å; L545-D549 WeakPolarHBondContact O-CB 3.33Å; L545-D549 PolarHBondContact O-N 3.33Å |
| 546 | Q | 98.6 | Very high | 96.5 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 11% | 0.112 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.7 | -77.5 | 172.1 | 104.4 | 0 | 0 | 112.7 | N181 L185 H474 G542 V543 A544 D549 Q550 | N181-Q546 VanDerWaalsContact CB-CD 3.43Å; N181-Q546 HydrophobicContact CB-CG 4.08Å; N181-Q546 VanDerWaalsContact CB-OE1 3.22Å; L185-Q546 HydrophobicContact CD1-CB 4.3Å; L185-Q546 HydrophobicContact CD1-CG 3.72Å; H474-Q546 PolarHBondContact NE2-OE1 2.95Å; G542-Q546 VanDerWaalsContact O-CG 3.32Å; G542-Q546 WeakPolarHBondContact O-CG 3.38Å; G542-Q546 PolarHBondContact O-N 2.86Å; G542-Q546 VanDerWaalsContact O-N 3.09Å; G542-Q546 PolarHBondContact O-NE2 2.87Å; V543-Q546 PolarHBondContact O-N 2.98Å; A544-Q546 PolarHBondContact O-N 3.15Å; Q546-D549 PolarHBondContact O-N 2.95Å; Q546-Q550 VanDerWaalsContact O-CB 3.31Å; Q546-Q550 WeakPolarHBondContact O-CB 3.24Å; Q546-Q550 PolarHBondContact O-N 3.05Å |
| 547 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.1 | -34.2 | 178.3 | -67.8 | 175.3 | 0 | 0 | 0 | 112.3 | I477 A496 W499 I500 V543 A544 Y551 L555 | I477-L547 HydrophobicContact CB-CD2 4.35Å; I477-L547 HydrophobicContact CD1-CD1 3.93Å; I477-L547 HydrophobicContact CD1-CD2 4.12Å; I477-L547 HydrophobicContact CG2-CD2 3.7Å; A496-L547 HydrophobicContact CB-CD2 4.18Å; W499-L547 HydrophobicContact CG-CD1 4.49Å; I500-L547 HydrophobicContact CD1-CB 3.93Å; I500-L547 HydrophobicContact CD1-CD1 4.36Å; I500-L547 HydrophobicContact CG1-CB 4.01Å; I500-L547 HydrophobicContact CG1-CD1 4.38Å; V543-L547 HydrophobicContact CG1-CD1 3.94Å; V543-L547 HydrophobicContact CG1-CG 4.43Å; V543-L547 WeakPolarHBondContact O-CG 3.39Å; V543-L547 PolarHBondContact O-N 3.36Å; A544-L547 PolarHBondContact O-N 3.44Å; L547-Y551 HydrophobicContact CD2-CD2 4.29Å; L547-Y551 HydrophobicContact CD2-CE2 4.16Å; L547-Y551 WeakPolarHBondContact O-CB 3.39Å; L547-Y551 PolarHBondContact O-N 2.86Å; L547-L555 WeakPolarHBondContact O-CD1 3.49Å |
| 548 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -34.4 | 173.4 | -75.8 | 165.7 | 0 | 0 | 0 | 112.4 | I118 L123 W126 A127 I500 A544 L545 G552 L555 | I118-L548 HydrophobicContact CD1-CB 3.97Å; I118-L548 HydrophobicContact CD1-CD1 4.47Å; I118-L548 HydrophobicContact CD1-CD2 4.33Å; I118-L548 HydrophobicContact CG1-CB 4.33Å; I118-L548 HydrophobicContact CG2-CD2 4.47Å; L123-L548 HydrophobicContact CB-CD2 4.08Å; L123-L548 HydrophobicContact CD1-CD2 4.29Å; W126-L548 HydrophobicContact CE3-CD1 4.01Å; W126-L548 HydrophobicContact CZ3-CD1 3.79Å; W126-L548 HydrophobicContact CZ3-CG 4.46Å; A127-L548 HydrophobicContact CB-CD1 3.81Å; I500-L548 HydrophobicContact CD1-CG 4.04Å; I500-L548 HydrophobicContact CG2-CD2 4.14Å; A544-L548 VanDerWaalsContact O-CB 3.31Å; A544-L548 WeakPolarHBondContact O-CB 3.43Å; A544-L548 WeakPolarHBondContact O-CD1 3.47Å; A544-L548 VanDerWaalsContact O-CG 3.22Å; A544-L548 WeakPolarHBondContact O-CG 3.5Å; A544-L548 PolarHBondContact O-N 3.06Å; L545-L548 PolarHBondContact O-N 3.49Å; L548-G552 WeakPolarHBondContact O-CA 3.21Å; L548-G552 PolarHBondContact O-N 2.85Å; L548-L555 HydrophobicContact CD2-CD1 4.17Å |
| 549 | D | 98.3 | Very high | 94.5 | Very high | 79 Ų | 79 | 27.4 Ų | 27.4 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.5 | -49.8 | 171.5 | -179.2 | 69.6 | 0 | 0 | 0 | 110.7 | F114 L185 L545 Q546 Y551 | F114-D549 HydrophobicContact CB-CB 4.48Å; F114-D549 WeakPolarHBondContact CB-OD1 3.39Å; L185-D549 HydrophobicContact CD1-CB 3.98Å; L185-D549 HydrophobicContact CD2-CB 4.04Å; L545-D549 WeakPolarHBondContact O-CB 3.33Å; L545-D549 PolarHBondContact O-N 3.33Å; Q546-D549 PolarHBondContact O-N 2.95Å; D549-Y551 PolarHBondContact O-N 3.28Å |
| 550 | Q | 98.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 29.8 Ų | 29.8 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -40.2 | -176.5 | -174.6 | 176.7 | 2.2 | 0 | 0 | 113.5 | Q546 | Q546-Q550 VanDerWaalsContact O-CB 3.31Å; Q546-Q550 WeakPolarHBondContact O-CB 3.24Å; Q546-Q550 PolarHBondContact O-N 3.05Å |
| 551 | Y | 98.4 | Very high | 88.7 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -121.6 | 10.1 | -172.9 | -59.6 | -71.9 | 0 | 0 | 0 | 113.6 | I477 S481 F493 A496 L547 D549 A553 T554 L555 | I477-Y551 HydrophobicContact CG2-CE2 3.92Å; S481-Y551 WeakPolarHBondContact CB-OH 3.33Å; F493-Y551 HydrophobicContact CB-CE1 4.26Å; F493-Y551 AromaticContact CD2-CD1 3.69Å; F493-Y551 HydrophobicContact CD2-CD1 3.69Å; F493-Y551 HydrophobicContact CD2-CE1 4.2Å; F493-Y551 HydrophobicContact CD2-CG 4.11Å; F493-Y551 HydrophobicContact CE2-CD1 4.48Å; A496-Y551 HydrophobicContact CB-CD2 3.61Å; A496-Y551 HydrophobicContact CB-CE2 3.73Å; A496-Y551 HydrophobicContact CB-CG 4.4Å; L547-Y551 HydrophobicContact CD2-CD2 4.29Å; L547-Y551 HydrophobicContact CD2-CE2 4.16Å; L547-Y551 WeakPolarHBondContact O-CB 3.39Å; L547-Y551 PolarHBondContact O-N 2.86Å; D549-Y551 PolarHBondContact O-N 3.28Å; Y551-A553 PolarHBondContact O-N 3.39Å; Y551-A553 VanDerWaalsContact O-N 3.07Å; Y551-T554 PolarHBondContact O-N 3.01Å; Y551-T554 PolarHBondContact O-OG1 3.05Å; Y551-L555 WeakPolarHBondContact O-CG 3.47Å; Y551-L555 PolarHBondContact O-N 3.15Å |
| 552 | G | 97.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G117 I118 A119 L548 T554 | G117-G552 CarbonylContact O-C 3.53Å; G117-G552 VanDerWaalsContact O-C 3.23Å; I118-G552 CarbonylContact C-O 3.59Å; I118-G552 WeakPolarHBondContact CA-O 3.33Å; A119-G552 PolarHBondContact N-O 3.29Å; L548-G552 WeakPolarHBondContact O-CA 3.21Å; L548-G552 PolarHBondContact O-N 2.85Å; G552-T554 PolarHBondContact O-N 3.17Å |
| 553 | A | 97.7 | Very high | 82.7 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 63% | 0.628 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G117 Y551 | G117-A553 PolarHBondContact O-N 3.34Å; Y551-A553 PolarHBondContact O-N 3.39Å; Y551-A553 VanDerWaalsContact O-N 3.07Å |
| 554 | T | 97.2 | Very high | 79.7 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -21.6 | -172.4 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | F493 Y551 G552 | F493-T554 WeakPolarHBondContact CE2-OG1 3.47Å; Y551-T554 PolarHBondContact O-N 3.01Å; Y551-T554 PolarHBondContact O-OG1 3.05Å; G552-T554 PolarHBondContact O-N 3.17Å |
| 555 | L | 97.8 | Very high | 76.6 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | trans | -61.5 | 145.1 | 174.4 | -74.7 | 171.1 | 0 | 0 | 0 | 111.8 | L123 F493 Q497 I500 L547 L548 Y551 | L123-L555 HydrophobicContact CD1-CB 3.81Å; F493-L555 HydrophobicContact CE2-CD2 4.18Å; F493-L555 HydrophobicContact CE2-CG 4.45Å; Q497-L555 HydrophobicContact CB-CD2 3.95Å; I500-L555 HydrophobicContact CB-CD1 4.45Å; I500-L555 HydrophobicContact CG1-CD1 3.98Å; I500-L555 HydrophobicContact CG2-CD1 4.37Å; L547-L555 WeakPolarHBondContact O-CD1 3.49Å; L548-L555 HydrophobicContact CD2-CD1 4.17Å; Y551-L555 WeakPolarHBondContact O-CG 3.47Å; Y551-L555 PolarHBondContact O-N 3.15Å | ||
| 556 | T | 95.8 | Very high | 73.7 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 32% | 0.319 | 44% | 0.439 | S | S | . | . | trans | -131.9 | 145.3 | 178.4 | 73.2 | 0 | 0 | 0 | 0 | 112 | D120 Q497 | D120-T556 WeakPolarHBondContact OD2-CA 3.47Å; Q497-T556 PolarHBondContact NE2-O 3.04Å; Q497-T556 PolarHBondContact OE1-O 3.4Å; Q497-T556 PolarHBondContact OE1-OG1 3.27Å | ||
| 557 | S | 91.3 | Very high | 70.8 | Confident | 7 Ų | 7 | 82.4 Ų | 82.4 | 5% | 0.049 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -76.2 | -24.7 | 171.9 | 57 | 0 | 0 | 0 | 0 | 112.2 | D120 W504 | D120-S557 PolarHBondContact OD1-OG 3.06Å; D120-S557 VanDerWaalsContact OD1-OG 3.1Å; D120-S557 PolarHBondContact OD2-N 2.99Å; D120-S557 PolarHBondContact OD2-OG 3.07Å; W504-S557 WeakPolarHBondContact CZ3-O 3.45Å |
| 558 | G | 81.2 | Confident | 67.5 | Low | 48 Ų | 48 | 89.8 Ų | 89.8 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | S | Bend | trans | 150 | 150.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 559 | G | 49.7 | Very low | 64.6 | Low | 89 Ų | 89 | 94.7 Ų | 94.7 | 92% | 0.918 | 55% | 0.546 | S | S | * | . | trans | 128.1 | -11.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 560 | G | 36.3 | Very low | 61.4 | Low | 56 Ų | 56 | 99.8 Ų | 99.8 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | trans | -116.8 | 113 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V562 | G560-V562 PolarHBondContact O-N 3.26Š| ||
| 561 | R | 35.4 | Very low | 58.4 | Low | 244 Ų | 244 | 101.9 Ų | 101.9 | 92% | 0.921 | 59% | 0.59 | S | S | * | * | trans | -51.8 | 125.4 | 147.8 | -85.2 | 178.8 | 174 | 175.4 | -2.1 | 105.8 | R563 | R561-R563 VanDerWaalsContact C-N 3.32Å; R561-R563 PolarHBondContact O-N 3.32Å | ||
| 562 | V | 37.4 | Very low | 55.2 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | trans | -52.7 | 107 | 159.4 | 177.2 | 0 | 0 | 0 | 0 | 105.3 | G560 S564 | G560-V562 PolarHBondContact O-N 3.26Å; V562-S564 PolarHBondContact O-N 3.23Å; V562-S564 VanDerWaalsContact O-N 3.1Å | ||
| 563 | R | 32.7 | Very low | 52 | Low | 207 Ų | 207 | 110.8 Ų | 110.8 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | trans | -62.6 | 115.4 | 171.5 | -92.2 | -175.5 | 173.3 | 175.6 | -2.4 | 105.7 | R561 D565 | R561-R563 VanDerWaalsContact C-N 3.32Å; R561-R563 PolarHBondContact O-N 3.32Å; R563-D565 PolarHBondContact O-N 3.43Å | ||
| 564 | S | 36.3 | Very low | 49.2 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -63.9 | 10.8 | 169.2 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | V562 | V562-S564 PolarHBondContact O-N 3.23Å; V562-S564 VanDerWaalsContact O-N 3.1Å |
| 565 | D | 32.8 | Very low | 46.1 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 15.4 | -164.3 | -59.5 | -18.5 | 0 | 0 | 0 | 114.2 | R563 | R563-D565 PolarHBondContact O-N 3.43Š|
| 566 | L | 38.1 | Very low | 43 | Very low | 167 Ų | 167 | 122.4 Ų | 122.4 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 17.4 | 174.1 | -104.7 | 148.3 | 0 | 0 | 0 | 114.3 | ||
| 567 | L | 38.1 | Very low | 39.9 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -131.5 | 75.4 | 167.5 | -72.1 | 169.5 | 0 | 0 | 0 | 110.2 | ||||
| 568 | L | 30 | Very low | 37.2 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -104.1 | 130.5 | 158.9 | -93 | 158.5 | 0 | 0 | 0 | 108.8 | ||||
| 569 | P | 35.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | trans | -76.5 | 138.3 | -177.3 | 31.3 | -31.4 | 0 | 0 | 0 | 110.6 | V571 | P569-V571 HydrophobicContact CB-CG2 4.45Å; P569-V571 PolarHBondContact O-N 3.45Å | ||
| 570 | L | 32.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 153 Ų | 153 | 98% | 0.979 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 91.3 | 169.6 | -126.2 | 123.2 | 0 | 0 | 0 | 109 | ||||
| 571 | V | 35 | Very low | 34.1 | Very low | 126 Ų | 126 | 158.1 Ų | 158.1 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | trans | -139.7 | 137.7 | 169.6 | -174 | 0 | 0 | 0 | 0 | 109.7 | P569 | P569-V571 HydrophobicContact CB-CG2 4.45Å; P569-V571 PolarHBondContact O-N 3.45Å | ||
| 572 | A | 30.2 | Very low | 34 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | 89.3 | 89.9 | 171 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 573 | S | 30.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -146.8 | 76.3 | 142.5 | -71.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 574 | V | 38.3 | Very low | 33.9 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | -133.4 | 136.8 | 157.6 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 575 | A | 32.9 | Very low | 33.7 | Very low | 86 Ų | 86 | 154.5 Ų | 154.5 | 71% | 0.711 | 85% | 0.848 | S | S | * | * | trans | 95.6 | 94.9 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 576 | L | 31.9 | Very low | 33.8 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 90% | 0.901 | 87% | 0.867 | S | S | * | * | 172.5 | 84 | 123.4 | -96.5 | 139 | 0 | 0 | 0 | 110.1 | |||||
| 577 | M | 30.3 | Very low | 33.5 | Very low | 195 Ų | 195 | 157 Ų | 157 | 96% | 0.961 | 87% | 0.866 | S | S | * | * | trans | -125.4 | 91 | 151.1 | -84.1 | -162.3 | -178.3 | 0 | 0 | 108.1 | ||||
| 578 | L | 35.8 | Very low | 33.1 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 88% | 0.88 | 87% | 0.866 | S | S | * | * | trans | -140.7 | 83.5 | 154.2 | -92 | 171.3 | 0 | 0 | 0 | 106.5 | ||||
| 579 | R | 33.5 | Very low | 33.4 | Very low | 323 Ų | 323 | 156.5 Ų | 156.5 | 100% | 1.219 | 87% | 0.871 | S | S | * | * | trans | -172.3 | 0 | 136.1 | -102.9 | 178.9 | -171.7 | -153.9 | 2.2 | 110.2 |
Retrieved 579 of 579 residues in 366 ms
(Link to these results)