| 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 | 37.1 | Very low | 29.4 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 100% | 1.172 | 84% | 0.837 | S | S | * | * | 0 | 88.1 | 0 | -79.8 | 170.9 | 174.2 | 0 | 0 | 106.2 | |||||
| 2 | A | 25.6 | Very low | 29.3 | Very low | 85 Ų | 85 | 150.3 Ų | 150.3 | 70% | 0.702 | 84% | 0.839 | S | S | * | * | 57 | 115.6 | 65.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 3 | F | 28.9 | Very low | 29.8 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | cis | -151.8 | 143 | 33.5 | -110.4 | -92.2 | 0 | 0 | 0 | 113.2 | ||||
| 4 | T | 29.2 | Very low | 29.7 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 68% | 0.675 | 83% | 0.832 | S | S | * | * | trans | -61.1 | 150.4 | 158.7 | -36.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 5 | K | 31.7 | Very low | 29.6 | Very low | 211 Ų | 211 | 153.9 Ų | 153.9 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | -154.1 | 151.5 | 135.9 | -104.3 | -179.9 | -170.9 | -176.2 | 0 | 110.8 | ||||
| 6 | T | 26.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 156.3 Ų | 156.3 | 63% | 0.626 | 84% | 0.839 | S | S | * | * | trans | -130.9 | 135.2 | -148.2 | -45 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | Y | 27.5 | Very low | 29.3 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | 54.2 | 137.7 | 156.8 | -76 | -112.2 | 0 | 0 | 0 | 118.6 | ||||
| 8 | T | 27.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 161.4 Ų | 161.4 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | -154.5 | 150.1 | 80.3 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 9 | G | 28.1 | Very low | 29 | Very low | 79 Ų | 79 | 158.6 Ų | 158.6 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -73.6 | 171 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 10 | G | 26.2 | Very low | 29 | Very low | 79 Ų | 79 | 160.5 Ų | 160.5 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 171.8 | 97.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | M | 35.7 | Very low | 29 | Very low | 185 Ų | 185 | 160.1 Ų | 160.1 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -82.6 | 114.3 | 167.3 | -175 | 179.9 | -145.9 | 0 | 0 | 105.6 | ||||
| 12 | D | 28.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -153.1 | 119.5 | 158.4 | -88.9 | -36.4 | 0 | 0 | 0 | 108.9 | ||||
| 13 | T | 35.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 120.2 | 169.5 | 41.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 14 | D | 27.8 | Very low | 29.8 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -137.6 | 124.7 | 158.2 | -92.9 | -32.3 | 0 | 0 | 0 | 110.4 | E16 | D14-E16 PolarHBondContact O-N 3.29Š| ||
| 15 | Y | 28.5 | Very low | 30.1 | Very low | 225 Ų | 225 | 156.4 Ų | 156.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -74.4 | 109.5 | 178.7 | -72.6 | -96.1 | 0 | 0 | 0 | 109 | ||||
| 16 | E | 28.1 | Very low | 30.3 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 118.5 | 173.4 | -131.2 | 175.2 | -169.5 | 0 | 0 | 110.6 | D14 | D14-E16 PolarHBondContact O-N 3.29Š|
| 17 | Y | 25.7 | Very low | 30.9 | Very low | 217 Ų | 217 | 157.3 Ų | 157.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.8 | -177.4 | -179.8 | -94.2 | 0 | 0 | 0 | 111 | S19 | Y17-S19 PolarHBondContact O-N 3.13Š|
| 18 | Y | 25.8 | Very low | 31.5 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 74% | 0.737 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.2 | 175 | -72.1 | -82.8 | 0 | 0 | 0 | 112 | Y20 | Y18-Y20 AromaticContact CD1-CD2 3.8Å; Y18-Y20 HydrophobicContact CD1-CD2 3.8Å; Y18-Y20 AromaticContact CD1-CE2 3.59Å; Y18-Y20 HydrophobicContact CD1-CE2 3.59Å; Y18-Y20 AromaticContact CE1-CE2 3.96Å; Y18-Y20 HydrophobicContact CE1-CE2 3.96Å |
| 19 | S | 26.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -123 | 88.4 | 157.6 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | Y17 | Y17-S19 PolarHBondContact O-N 3.13Š| ||
| 20 | Y | 29.6 | Very low | 33.2 | Very low | 196 Ų | 196 | 159 Ų | 159 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -93.5 | 121 | 164.3 | -83.1 | -77.2 | 0 | 0 | 0 | 108.6 | Y18 N22 | Y18-Y20 AromaticContact CD1-CD2 3.8Å; Y18-Y20 HydrophobicContact CD1-CD2 3.8Å; Y18-Y20 AromaticContact CD1-CE2 3.59Å; Y18-Y20 HydrophobicContact CD1-CE2 3.59Å; Y18-Y20 AromaticContact CE1-CE2 3.96Å; Y18-Y20 HydrophobicContact CE1-CE2 3.96Å; Y20-N22 PolarHBondContact O-N 3.09Å | ||
| 21 | D | 28.5 | Very low | 34.4 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -48 | 123.8 | 172 | -83.5 | -43.8 | 0 | 0 | 0 | 111.1 | N23 | D21-N23 PolarHBondContact O-N 3.03Š| ||
| 22 | N | 35.2 | Very low | 35.6 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -70.7 | 81.5 | 165.3 | -94 | -21.9 | 0 | 0 | 0 | 109 | Y20 | Y20-N22 PolarHBondContact O-N 3.09Š| ||
| 23 | N | 32 | Very low | 37.1 | Very low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -89.1 | 92.8 | 150.2 | -92.5 | -14.4 | 0 | 0 | 0 | 107.5 | D21 D25 | D21-N23 PolarHBondContact O-N 3.03Å; N23-D25 PolarHBondContact O-N 3.28Å | ||
| 24 | T | 40.6 | Very low | 38.2 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | -64.7 | 77.2 | 161.3 | 39.8 | 0 | 0 | 0 | 0 | 109.2 | N26 | T24-N26 VanDerWaalsContact C-N 3.31Å; T24-N26 PolarHBondContact O-N 3.12Å | ||
| 25 | D | 35.9 | Very low | 39.8 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | -77.6 | 94.8 | 147.7 | -91 | -20.5 | 0 | 0 | 0 | 105.8 | N23 K27 | N23-D25 PolarHBondContact O-N 3.28Å; D25-K27 PolarHBondContact O-N 2.98Å | ||
| 26 | N | 36.5 | Very low | 41.4 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 79.7 | 164.7 | -74.3 | -15.7 | 0 | 0 | 0 | 108.2 | T24 E28 | T24-N26 VanDerWaalsContact C-N 3.31Å; T24-N26 PolarHBondContact O-N 3.12Å; N26-E28 PolarHBondContact O-N 3.29Å | ||
| 27 | K | 39.2 | Very low | 43 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | trans | -71.7 | 87.3 | 149.6 | -80.7 | -178.3 | 179.1 | 173.7 | 0 | 105.3 | D25 D29 | D25-K27 PolarHBondContact O-N 2.98Å; K27-D29 PolarHBondContact O-N 3.44Å | ||
| 28 | E | 39.7 | Very low | 45 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | trans | -50.7 | 108.8 | 158.4 | -70.7 | 179.4 | 166 | 0 | 0 | 106.5 | N26 F30 | N26-E28 PolarHBondContact O-N 3.29Å; E28-F30 HydrophobicContact CB-CD2 4.3Å; E28-F30 PolarHBondContact O-N 2.83Å | ||
| 29 | D | 43.8 | Very low | 47 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | trans | -59.1 | 95.4 | 160.2 | -117.3 | -14.7 | 0 | 0 | 0 | 105.1 | K27 T31 | K27-D29 PolarHBondContact O-N 3.44Å; D29-T31 PolarHBondContact O-N 3.33Å | ||
| 30 | F | 48 | Very low | 49 | Very low | 175 Ų | 175 | 122.2 Ų | 122.2 | 77% | 0.768 | 63% | 0.626 | S | S | * | * | trans | -68 | 84.1 | 172.9 | -113.3 | -92.7 | 0 | 0 | 0 | 106.9 | E28 C32 | E28-F30 HydrophobicContact CB-CD2 4.3Å; E28-F30 PolarHBondContact O-N 2.83Å; F30-C32 PolarHBondContact O-N 3.11Å | ||
| 31 | T | 51.4 | Low | 50.9 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | trans | -63.8 | 118 | 174 | 49 | 0 | 0 | 0 | 0 | 108.6 | D29 D33 | D29-T31 PolarHBondContact O-N 3.33Å; T31-D33 PolarHBondContact O-N 3.22Å | ||
| 32 | C | 59.6 | Low | 53.1 | Low | 46 Ų | 46 | 115.4 Ų | 115.4 | 31% | 0.311 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -1.3 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 114.9 | F30 N34 E35 V36 C286 | F30-C32 PolarHBondContact O-N 3.11Å; C32-N34 PolarHBondContact O-N 3.14Å; C32-E35 PolarHBondContact O-N 2.97Å; C32-V36 WeakPolarHBondContact O-CG2 3.41Å; C32-V36 PolarHBondContact O-N 3.35Å; C32-C286 HydrophobicContact CB-CB 4.31Å; C32-C286 WeakPolarHBondContact CB-SG 3.35Å; C32-C286 WeakPolarHBondContact SG-CB 3.21Å; C32-C286 CovalentContact SG-SG 2.04Å; C32-C286 PolarHBondContact SG-SG 3.16Å |
| 33 | D | 59.8 | Low | 55.1 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -38.6 | -165.6 | -59.8 | -27.9 | 0 | 0 | 0 | 113.2 | T31 E35 V36 L37 | T31-D33 PolarHBondContact O-N 3.22Å; D33-E35 PolarHBondContact O-N 3.4Å; D33-V36 PolarHBondContact O-N 2.87Å; D33-L37 WeakPolarHBondContact O-CG 3.47Å; D33-L37 PolarHBondContact O-N 3.18Å |
| 34 | N | 59.8 | Low | 57.1 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 66% | 0.663 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | -179.2 | -74.3 | -28 | 0 | 0 | 0 | 112.9 | C32 | C32-N34 PolarHBondContact O-N 3.14Å |
| 35 | E | 61.1 | Low | 59.1 | Low | 72 Ų | 72 | 105.6 Ų | 105.6 | 34% | 0.336 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.6 | -36.1 | 178.5 | -58.6 | -167.4 | 156 | 0 | 0 | 110.7 | C32 D33 L37 V38 F39 Q290 | C32-E35 PolarHBondContact O-N 2.97Å; D33-E35 PolarHBondContact O-N 3.4Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.04Å; E35-V38 PolarHBondContact O-N 3.48Å; E35-F39 PolarHBondContact O-N 2.89Å; E35-Q290 VanDerWaalsContact C-NE2 3.29Å; E35-Q290 PolarHBondContact O-NE2 3.43Å |
| 36 | V | 62.4 | Low | 61.5 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | C32 D33 F39 Q40 | C32-V36 WeakPolarHBondContact O-CG2 3.41Å; C32-V36 PolarHBondContact O-N 3.35Å; D33-V36 PolarHBondContact O-N 2.87Å; V36-F39 WeakPolarHBondContact O-CB 3.47Å; V36-F39 PolarHBondContact O-N 2.04Å; V36-Q40 PolarHBondContact O-N 3.15Å; V36-Q40 VanDerWaalsContact O-N 3.12Å |
| 37 | L | 61.6 | Low | 63.7 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.6 | -69.9 | 170 | 0 | 0 | 0 | 112.8 | D33 E35 F39 Q40 D41 | D33-L37 WeakPolarHBondContact O-CG 3.47Å; D33-L37 PolarHBondContact O-N 3.18Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.04Å; L37-F39 VanDerWaalsContact C-N 3.27Å; L37-F39 PolarHBondContact O-N 3.28Å; L37-Q40 PolarHBondContact O-N 3.36Å; L37-D41 PolarHBondContact O-N 3.23Å; L37-D41 VanDerWaalsContact O-N 3.09Å |
| 38 | V | 66.6 | Low | 66 | Low | 97 Ų | 97 | 86.8 Ų | 86.8 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | E35 F42 | E35-V38 PolarHBondContact O-N 3.48Å; V38-F42 PolarHBondContact O-N 3.26Å; V38-F42 VanDerWaalsContact O-N 3.12Å |
| 39 | F | 68.4 | Low | 68.4 | Low | 47 Ų | 47 | 84 Ų | 84 | 21% | 0.206 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 174.2 | 171.6 | -117.4 | 0 | 0 | 0 | 112.2 | E35 V36 L37 D41 F42 Y43 A293 Q294 | E35-F39 PolarHBondContact O-N 2.89Å; V36-F39 WeakPolarHBondContact O-CB 3.47Å; V36-F39 PolarHBondContact O-N 2.04Å; L37-F39 VanDerWaalsContact C-N 3.27Å; L37-F39 PolarHBondContact O-N 3.28Å; F39-D41 VanDerWaalsContact C-N 3.33Å; F39-D41 PolarHBondContact O-N 3.46Å; F39-F42 PolarHBondContact O-N 3.27Å; F39-Y43 HydrophobicContact CZ-CD2 4.5Å; F39-Y43 VanDerWaalsContact O-CB 3.24Å; F39-Y43 WeakPolarHBondContact O-CB 3.47Å; F39-Y43 PolarHBondContact O-N 3.36Å; F39-A293 HydrophobicContact CZ-CB 4.21Å; F39-Q294 HydrophobicContact CD2-CB 4.46Å; F39-Q294 HydrophobicContact CD2-CG 3.24Å; F39-Q294 HydrophobicContact CE2-CB 4.31Å; F39-Q294 HydrophobicContact CE2-CG 3.49Å; F39-Q294 VanDerWaalsContact CE2-CG 3.49Å; F39-Q294 HydrophobicContact CG-CG 4.29Å |
| 40 | Q | 68.6 | Low | 70.6 | Confident | 117 Ų | 117 | 79 Ų | 79 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.8 | -35.8 | -178.6 | -161 | 151.7 | -10.3 | 0 | 0 | 111.9 | V36 L37 S44 | V36-Q40 PolarHBondContact O-N 3.15Å; V36-Q40 VanDerWaalsContact O-N 3.12Å; L37-Q40 PolarHBondContact O-N 3.36Å; Q40-S44 WeakPolarHBondContact O-CB 3.03Å; Q40-S44 PolarHBondContact O-N 3.46Å; Q40-S44 PolarHBondContact O-OG 2.9Å |
| 41 | D | 71.2 | Confident | 72.6 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.1 | -43.8 | 173.1 | -73.4 | -16.7 | 0 | 0 | 0 | 112.6 | L37 F39 S44 | L37-D41 PolarHBondContact O-N 3.23Å; L37-D41 VanDerWaalsContact O-N 3.09Å; F39-D41 VanDerWaalsContact C-N 3.33Å; F39-D41 PolarHBondContact O-N 3.46Å; D41-S44 PolarHBondContact O-OG 3.46Å |
| 42 | F | 74.3 | Confident | 74.5 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175 | 175.5 | -98.5 | 0 | 0 | 0 | 111.3 | V38 F39 V45 F46 V298 | V38-F42 PolarHBondContact O-N 3.26Å; V38-F42 VanDerWaalsContact O-N 3.12Å; F39-F42 PolarHBondContact O-N 3.27Å; F42-V45 PolarHBondContact O-N 2.95Å; F42-F46 HydrophobicContact CD1-CB 4.37Å; F42-F46 HydrophobicContact CD2-CB 4.32Å; F42-F46 HydrophobicContact CE1-CB 4.02Å; F42-F46 AromaticContact CE1-CD1 3.92Å; F42-F46 HydrophobicContact CE1-CD1 3.92Å; F42-F46 AromaticContact CE1-CG 3.94Å; F42-F46 HydrophobicContact CE1-CG 3.94Å; F42-F46 HydrophobicContact CE2-CB 3.97Å; F42-F46 HydrophobicContact CE2-CD2 4.18Å; F42-F46 HydrophobicContact CE2-CG 4.09Å; F42-F46 HydrophobicContact CZ-CB 3.81Å; F42-F46 AromaticContact CZ-CD1 3.89Å; F42-F46 HydrophobicContact CZ-CD1 3.89Å; F42-F46 AromaticContact CZ-CD2 3.83Å; F42-F46 HydrophobicContact CZ-CD2 3.83Å; F42-F46 HydrophobicContact CZ-CE1 4.44Å; F42-F46 HydrophobicContact CZ-CE2 4.37Å; F42-F46 AromaticContact CZ-CG 3.56Å; F42-F46 HydrophobicContact CZ-CG 3.56Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 3.47Å; F42-V298 HydrophobicContact CE1-CG2 4.15Å; F42-V298 HydrophobicContact CZ-CG2 4.34Å |
| 43 | Y | 76.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 26% | 0.255 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | -178.3 | 178.3 | -95.4 | 0 | 0 | 0 | 112.2 | F39 V45 S47 P48 T297 | F39-Y43 HydrophobicContact CZ-CD2 4.5Å; F39-Y43 VanDerWaalsContact O-CB 3.24Å; F39-Y43 WeakPolarHBondContact O-CB 3.47Å; F39-Y43 PolarHBondContact O-N 3.36Å; Y43-V45 PolarHBondContact O-N 3.25Å; Y43-S47 WeakPolarHBondContact O-CB 3.35Å; Y43-S47 PolarHBondContact O-N 3.47Å; Y43-P48 WeakPolarHBondContact O-CD 2.99Å; Y43-T297 HydrophobicContact CD2-CG2 3.68Å; Y43-T297 HydrophobicContact CE2-CG2 3.78Å |
| 44 | S | 75.5 | Confident | 77.8 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -19.9 | -177.3 | 60.6 | 0 | 0 | 0 | 0 | 114 | Q40 D41 P48 | Q40-S44 WeakPolarHBondContact O-CB 3.03Å; Q40-S44 PolarHBondContact O-N 3.46Å; Q40-S44 PolarHBondContact O-OG 2.9Å; D41-S44 PolarHBondContact O-OG 3.46Å; S44-P48 WeakPolarHBondContact O-CG 3.38Å |
| 45 | V | 82.3 | Confident | 79.5 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 56% | 0.564 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -104.8 | -49.4 | 177 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | F42 Y43 V49 | F42-V45 PolarHBondContact O-N 2.95Å; Y43-V45 PolarHBondContact O-N 3.25Å; V45-V49 HydrophobicContact CG1-CG2 4.45Å; V45-V49 WeakPolarHBondContact O-CB 3.44Å; V45-V49 WeakPolarHBondContact O-CG2 3.29Å; V45-V49 PolarHBondContact O-N 3.01Å |
| 46 | F | 85.4 | Confident | 81.1 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 26% | 0.263 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | -172.9 | 173.1 | -99.1 | 0 | 0 | 0 | 112.3 | F42 L50 V298 | F42-F46 HydrophobicContact CD1-CB 4.37Å; F42-F46 HydrophobicContact CD2-CB 4.32Å; F42-F46 HydrophobicContact CE1-CB 4.02Å; F42-F46 AromaticContact CE1-CD1 3.92Å; F42-F46 HydrophobicContact CE1-CD1 3.92Å; F42-F46 AromaticContact CE1-CG 3.94Å; F42-F46 HydrophobicContact CE1-CG 3.94Å; F42-F46 HydrophobicContact CE2-CB 3.97Å; F42-F46 HydrophobicContact CE2-CD2 4.18Å; F42-F46 HydrophobicContact CE2-CG 4.09Å; F42-F46 HydrophobicContact CZ-CB 3.81Å; F42-F46 AromaticContact CZ-CD1 3.89Å; F42-F46 HydrophobicContact CZ-CD1 3.89Å; F42-F46 AromaticContact CZ-CD2 3.83Å; F42-F46 HydrophobicContact CZ-CD2 3.83Å; F42-F46 HydrophobicContact CZ-CE1 4.44Å; F42-F46 HydrophobicContact CZ-CE2 4.37Å; F42-F46 AromaticContact CZ-CG 3.56Å; F42-F46 HydrophobicContact CZ-CG 3.56Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 3.47Å; F46-L50 HydrophobicContact CE1-CD2 3.95Å; F46-L50 HydrophobicContact CE2-CD2 4.04Å; F46-L50 HydrophobicContact CZ-CD2 3.47Å; F46-L50 VanDerWaalsContact CZ-CD2 3.47Å; F46-L50 WeakPolarHBondContact O-CB 3.44Å; F46-L50 PolarHBondContact O-N 2.92Å; F46-V298 HydrophobicContact CE1-CG2 4.11Å; F46-V298 HydrophobicContact CZ-CG2 4.44Å |
| 47 | S | 83.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | -174.4 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | Y43 V49 L50 N51 | Y43-S47 WeakPolarHBondContact O-CB 3.35Å; Y43-S47 PolarHBondContact O-N 3.47Å; S47-V49 PolarHBondContact O-N 3.48Å; S47-L50 PolarHBondContact O-N 3.42Å; S47-N51 VanDerWaalsContact O-CB 3.23Å; S47-N51 WeakPolarHBondContact O-CB 3.33Å; S47-N51 VanDerWaalsContact O-CG 3.32Å; S47-N51 PolarHBondContact O-N 3.35Å; S47-N51 PolarHBondContact O-ND2 3.44Å; S47-N51 PolarHBondContact OG-ND2 3.49Å |
| 48 | P | 86.9 | Confident | 84.1 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 177.2 | -30.8 | 40.5 | 0 | 0 | 0 | 114.3 | Y43 S44 S52 V101 V105 | Y43-P48 WeakPolarHBondContact O-CD 2.99Å; S44-P48 WeakPolarHBondContact O-CG 3.38Å; P48-S52 WeakPolarHBondContact O-CB 3.46Å; P48-S52 PolarHBondContact O-N 3.27Å; P48-S52 PolarHBondContact O-OG 3.13Å; P48-V101 HydrophobicContact CB-CG1 3.95Å; P48-V105 HydrophobicContact CB-CG2 4.41Å; P48-V105 HydrophobicContact CG-CG2 3.7Å |
| 49 | V | 89.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | -178.3 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | V45 S47 S52 L53 | V45-V49 HydrophobicContact CG1-CG2 4.45Å; V45-V49 WeakPolarHBondContact O-CB 3.44Å; V45-V49 WeakPolarHBondContact O-CG2 3.29Å; V45-V49 PolarHBondContact O-N 3.01Å; S47-V49 PolarHBondContact O-N 3.48Å; V49-S52 PolarHBondContact O-N 3.4Å; V49-L53 HydrophobicContact CG1-CD1 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.27Å; V49-L53 VanDerWaalsContact O-N 3.07Å |
| 50 | L | 90.6 | Very high | 86.7 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | -178.6 | -177.3 | 56.8 | 0 | 0 | 0 | 111.6 | F46 S47 S52 L53 I54 | F46-L50 HydrophobicContact CE1-CD2 3.95Å; F46-L50 HydrophobicContact CE2-CD2 4.04Å; F46-L50 HydrophobicContact CZ-CD2 3.47Å; F46-L50 VanDerWaalsContact CZ-CD2 3.47Å; F46-L50 WeakPolarHBondContact O-CB 3.44Å; F46-L50 PolarHBondContact O-N 2.92Å; S47-L50 PolarHBondContact O-N 3.42Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 3.18Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-I54 HydrophobicContact CD1-CD1 4.2Å; L50-I54 HydrophobicContact CD1-CG1 4.38Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.36Å; L50-I54 PolarHBondContact O-N 3.07Å |
| 51 | N | 90.5 | Very high | 87.8 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -35 | 177.7 | -74.3 | -29.2 | 0 | 0 | 0 | 112.3 | S47 I54 F55 V101 | S47-N51 VanDerWaalsContact O-CB 3.23Å; S47-N51 WeakPolarHBondContact O-CB 3.33Å; S47-N51 VanDerWaalsContact O-CG 3.32Å; S47-N51 PolarHBondContact O-N 3.35Å; S47-N51 PolarHBondContact O-ND2 3.44Å; S47-N51 PolarHBondContact OG-ND2 3.49Å; N51-I54 PolarHBondContact O-N 2.69Å; N51-F55 VanDerWaalsContact O-CB 3.3Å; N51-F55 WeakPolarHBondContact O-CB 3.36Å; N51-F55 PolarHBondContact O-N 3.34Å; N51-V101 HydrophobicContact CB-CG2 3.58Å |
| 52 | S | 91.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 174 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | P48 V49 L50 F55 L56 | P48-S52 WeakPolarHBondContact O-CB 3.46Å; P48-S52 PolarHBondContact O-N 3.27Å; P48-S52 PolarHBondContact O-OG 3.13Å; V49-S52 PolarHBondContact O-N 3.4Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 3.18Å; S52-F55 PolarHBondContact O-N 2.85Å; S52-L56 WeakPolarHBondContact O-CG 3.48Å; S52-L56 PolarHBondContact O-N 3.06Å; S52-L56 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 93.2 | Very high | 89.8 | Confident | 93 Ų | 93 | 50 Ų | 50 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 174.5 | -70.4 | 171.7 | 0 | 0 | 0 | 111.5 | V49 L50 F55 L56 L57 | V49-L53 HydrophobicContact CG1-CD1 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.27Å; V49-L53 VanDerWaalsContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.02Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 2.87Å; L53-L56 PolarHBondContact O-N 3.21Å; L53-L57 WeakPolarHBondContact O-CB 3.27Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.33Å |
| 54 | I | 94.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 177 | -63 | 162.5 | 0 | 0 | 0 | 110.4 | L50 N51 L56 G58 L97 V304 S305 C307 | L50-I54 HydrophobicContact CD1-CD1 4.2Å; L50-I54 HydrophobicContact CD1-CG1 4.38Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.36Å; L50-I54 PolarHBondContact O-N 3.07Å; N51-I54 PolarHBondContact O-N 2.69Å; I54-L56 PolarHBondContact O-N 2.99Å; I54-G58 WeakPolarHBondContact O-CA 3.17Å; I54-G58 PolarHBondContact O-N 3.02Å; I54-L97 HydrophobicContact CB-CD1 4.25Å; I54-L97 HydrophobicContact CG2-CD1 3.9Å; I54-V304 HydrophobicContact CD1-CG1 4.19Å; I54-V304 HydrophobicContact CG2-CG1 4.13Å; I54-S305 VanDerWaalsContact CD1-OG 3.24Å; I54-S305 WeakPolarHBondContact CD1-OG 3.36Å; I54-C307 VanDerWaalsContact CG2-SG 3.53Å |
| 55 | F | 95.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 176.1 | 172.3 | -97.4 | 0 | 0 | 0 | 111.6 | N51 S52 L53 L59 I94 L97 P98 | N51-F55 VanDerWaalsContact O-CB 3.3Å; N51-F55 WeakPolarHBondContact O-CB 3.36Å; N51-F55 PolarHBondContact O-N 3.34Å; S52-F55 PolarHBondContact O-N 2.85Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 2.87Å; F55-L59 HydrophobicContact CE1-CD2 4.28Å; F55-L59 HydrophobicContact CZ-CD2 4.02Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 PolarHBondContact O-N 3.32Å; F55-I94 HydrophobicContact CD2-CG2 3.56Å; F55-I94 WeakPolarHBondContact CD2-O 3.45Å; F55-I94 HydrophobicContact CE2-CG2 3.93Å; F55-I94 HydrophobicContact CG-CG2 4.41Å; F55-L97 HydrophobicContact CB-CD1 4.12Å; F55-P98 HydrophobicContact CD2-CG 3.93Å; F55-P98 HydrophobicContact CE2-CG 3.77Å; F55-P98 HydrophobicContact CZ-CG 4.43Å |
| 56 | L | 94.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 55% | 0.55 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -50.2 | -179.1 | -68.5 | 174.7 | 0 | 0 | 0 | 112.1 | S52 L53 I54 V60 | S52-L56 WeakPolarHBondContact O-CG 3.48Å; S52-L56 PolarHBondContact O-N 3.06Å; S52-L56 VanDerWaalsContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.21Å; I54-L56 PolarHBondContact O-N 2.99Å; L56-V60 VanDerWaalsContact O-CG2 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.43Å; L56-V60 PolarHBondContact O-N 3.35Å; L56-V60 VanDerWaalsContact O-N 3.15Å |
| 57 | L | 94.1 | Very high | 92 | Very high | 86 Ų | 86 | 44 Ų | 44 | 45% | 0.45 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | -179 | -68.2 | 175.2 | 0 | 0 | 0 | 111.6 | L53 G61 C308 F312 | L53-L57 WeakPolarHBondContact O-CB 3.27Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.33Å; L57-G61 PolarHBondContact O-N 2.93Å; L57-C308 HydrophobicContact CB-CB 3.96Å; L57-F312 HydrophobicContact CD2-CZ 4.34Å |
| 58 | G | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I54 G61 N62 I94 | I54-G58 WeakPolarHBondContact O-CA 3.17Å; I54-G58 PolarHBondContact O-N 3.02Å; G58-G61 PolarHBondContact O-N 3.28Å; G58-N62 VanDerWaalsContact O-CB 3.29Å; G58-N62 WeakPolarHBondContact O-CB 3.49Å; G58-N62 PolarHBondContact O-N 2.86Å; G58-N62 PolarHBondContact O-ND2 3.12Å; G58-N62 VanDerWaalsContact O-ND2 3.09Å; G58-I94 WeakPolarHBondContact O-CD1 3.43Å |
| 59 | L | 95.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -46.7 | -179.5 | -177.2 | 64.2 | 0 | 0 | 0 | 111.1 | F55 G63 L91 I94 | F55-L59 HydrophobicContact CE1-CD2 4.28Å; F55-L59 HydrophobicContact CZ-CD2 4.02Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 PolarHBondContact O-N 3.32Å; L59-G63 WeakPolarHBondContact O-CA 3.24Å; L59-G63 PolarHBondContact O-N 3.45Å; L59-L91 HydrophobicContact CD1-CD2 4.2Å; L59-I94 HydrophobicContact CB-CG2 4.16Å |
| 60 | V | 93.4 | Very high | 92.3 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65 | -49.6 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L56 L64 | L56-V60 VanDerWaalsContact O-CG2 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.43Å; L56-V60 PolarHBondContact O-N 3.35Å; L56-V60 VanDerWaalsContact O-N 3.15Å; V60-L64 WeakPolarHBondContact O-CB 3.45Å; V60-L64 PolarHBondContact O-N 3.12Å |
| 61 | G | 91.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -55.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L57 G58 L64 M65 | L57-G61 PolarHBondContact O-N 2.93Å; G58-G61 PolarHBondContact O-N 3.28Å; G61-L64 PolarHBondContact O-N 3.26Å; G61-M65 WeakPolarHBondContact O-CB 3.49Å; G61-M65 PolarHBondContact O-N 3.39Å |
| 62 | N | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.2 | -37.2 | -178.5 | -69.5 | -69.3 | 0 | 0 | 0 | 111.8 | G58 L64 M65 V66 A87 L91 I94 C307 P311 | G58-N62 VanDerWaalsContact O-CB 3.29Å; G58-N62 WeakPolarHBondContact O-CB 3.49Å; G58-N62 PolarHBondContact O-N 2.86Å; G58-N62 PolarHBondContact O-ND2 3.12Å; G58-N62 VanDerWaalsContact O-ND2 3.09Å; N62-L64 PolarHBondContact O-N 3.06Å; N62-M65 WeakPolarHBondContact O-CB 3.33Å; N62-M65 PolarHBondContact O-N 2.86Å; N62-V66 WeakPolarHBondContact O-CG2 3.35Å; N62-V66 PolarHBondContact O-N 3.14Å; N62-A87 HydrophobicContact CB-CB 4.46Å; N62-L91 HydrophobicContact CB-CD2 3.99Å; N62-L91 HydrophobicContact CB-CG 3.97Å; N62-I94 HydrophobicContact CB-CD1 4.31Å; N62-C307 PolarHBondContact ND2-O 2.9Å; N62-P311 WeakPolarHBondContact OD1-CG 3.42Å |
| 63 | G | 94 | Very high | 91.5 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L59 T67 | L59-G63 WeakPolarHBondContact O-CA 3.24Å; L59-G63 PolarHBondContact O-N 3.45Å; G63-T67 WeakPolarHBondContact O-CB 3.34Å; G63-T67 PolarHBondContact O-N 3.44Å; G63-T67 PolarHBondContact O-OG1 3.19Å |
| 64 | L | 90.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -43 | 174.6 | -178.6 | 58.4 | 0 | 0 | 0 | 111.9 | V60 G61 N62 T67 I68 L325 | V60-L64 WeakPolarHBondContact O-CB 3.45Å; V60-L64 PolarHBondContact O-N 3.12Å; G61-L64 PolarHBondContact O-N 3.26Å; N62-L64 PolarHBondContact O-N 3.06Å; L64-T67 PolarHBondContact O-N 2.96Å; L64-I68 HydrophobicContact CD1-CD1 3.97Å; L64-I68 HydrophobicContact CD1-CG1 4.27Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 3.28Å; L64-L325 HydrophobicContact CD2-CD1 3.4Å; L64-L325 VanDerWaalsContact CD2-CD1 3.4Å; L64-L325 HydrophobicContact CG-CD1 4.24Å |
| 65 | M | 90.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 177.3 | -176.1 | 163.2 | 169.8 | 0 | 0 | 111.7 | G61 N62 T67 I68 L69 L83 A87 P311 Y314 F321 | G61-M65 WeakPolarHBondContact O-CB 3.49Å; G61-M65 PolarHBondContact O-N 3.39Å; N62-M65 WeakPolarHBondContact O-CB 3.33Å; N62-M65 PolarHBondContact O-N 2.86Å; M65-T67 VanDerWaalsContact C-N 3.33Å; M65-T67 PolarHBondContact O-N 3.26Å; M65-I68 PolarHBondContact O-N 3.32Å; M65-L69 HydrophobicContact CE-CD1 4.3Å; M65-L69 HydrophobicContact CG-CD1 3.91Å; M65-L69 WeakPolarHBondContact O-CB 3.2Å; M65-L69 WeakPolarHBondContact O-CG 3.43Å; M65-L69 PolarHBondContact O-N 3.46Å; M65-L83 HydrophobicContact CE-CB 3.52Å; M65-L83 HydrophobicContact CE-CD1 4.17Å; M65-L83 HydrophobicContact CE-CD2 3.95Å; M65-L83 HydrophobicContact CE-CG 4.07Å; M65-A87 HydrophobicContact CG-CB 4.27Å; M65-A87 HydrophobicContact SD-CB 4.34Å; M65-P311 HydrophobicContact SD-CG 4.43Å; M65-Y314 HydrophobicContact CE-CD2 3.61Å; M65-Y314 HydrophobicContact CE-CE2 3.89Å; M65-Y314 HydrophobicContact CE-CG 4.37Å; M65-Y314 HydrophobicContact SD-CD2 3.85Å; M65-Y314 HydrophobicContact SD-CE2 4.47Å; M65-F321 HydrophobicContact CB-CE2 4.21Å; M65-F321 HydrophobicContact CB-CZ 4.04Å; M65-F321 HydrophobicContact CG-CE2 3.87Å; M65-F321 HydrophobicContact CG-CZ 4.11Å |
| 66 | V | 93.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | N62 I68 L69 L70 L84 A87 L88 L91 | N62-V66 WeakPolarHBondContact O-CG2 3.35Å; N62-V66 PolarHBondContact O-N 3.14Å; V66-I68 PolarHBondContact O-N 3.43Å; V66-L69 PolarHBondContact O-N 3.28Å; V66-L70 HydrophobicContact CG1-CD1 3.52Å; V66-L70 HydrophobicContact CG1-CG 3.99Å; V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 VanDerWaalsContact O-CG 3.29Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 3.12Å; V66-L84 HydrophobicContact CB-CD1 4.4Å; V66-L84 HydrophobicContact CG1-CD1 4.17Å; V66-L84 HydrophobicContact CG2-CD1 4.21Å; V66-A87 HydrophobicContact CG2-CB 3.68Å; V66-L88 HydrophobicContact CG1-CD2 4.5Å; V66-L88 HydrophobicContact CG2-CD2 4.27Å; V66-L91 HydrophobicContact CG2-CD1 3.87Å |
| 67 | T | 90.4 | Very high | 89.2 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | G63 L64 M65 K71 | G63-T67 WeakPolarHBondContact O-CB 3.34Å; G63-T67 PolarHBondContact O-N 3.44Å; G63-T67 PolarHBondContact O-OG1 3.19Å; L64-T67 PolarHBondContact O-N 2.96Å; M65-T67 VanDerWaalsContact C-N 3.33Å; M65-T67 PolarHBondContact O-N 3.26Å; T67-K71 HydrophobicContact CG2-CD 4.47Å; T67-K71 WeakPolarHBondContact O-CG 3.39Å; T67-K71 PolarHBondContact O-N 3.43Å |
| 68 | I | 87.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 178.1 | -71.5 | 165.3 | 0 | 0 | 0 | 110.5 | L64 M65 V66 R72 F321 E324 L325 L328 | L64-I68 HydrophobicContact CD1-CD1 3.97Å; L64-I68 HydrophobicContact CD1-CG1 4.27Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 3.28Å; M65-I68 PolarHBondContact O-N 3.32Å; V66-I68 PolarHBondContact O-N 3.43Å; I68-R72 WeakPolarHBondContact O-CG 3.17Å; I68-F321 HydrophobicContact CD1-CE2 4.09Å; I68-F321 HydrophobicContact CD1-CZ 3.95Å; I68-F321 HydrophobicContact CG2-CE2 4.45Å; I68-E324 HydrophobicContact CG2-CB 4.41Å; I68-L325 HydrophobicContact CD1-CD1 4.39Å; I68-L328 HydrophobicContact CD1-CD1 4.37Å; I68-L328 HydrophobicContact CG1-CD1 3.57Å |
| 69 | L | 88.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.3 | -41.9 | -176 | -65.9 | 174.8 | 0 | 0 | 0 | 111.8 | M65 V66 K71 R72 H73 L76 E80 L83 L84 | M65-L69 HydrophobicContact CE-CD1 4.3Å; M65-L69 HydrophobicContact CG-CD1 3.91Å; M65-L69 WeakPolarHBondContact O-CB 3.2Å; M65-L69 WeakPolarHBondContact O-CG 3.43Å; M65-L69 PolarHBondContact O-N 3.46Å; V66-L69 PolarHBondContact O-N 3.28Å; L69-K71 PolarHBondContact O-N 2.75Å; L69-R72 CarbonylContact O-C 3.34Å; L69-R72 WeakPolarHBondContact O-CA 3.43Å; L69-R72 PolarHBondContact O-N 3.01Å; L69-H73 PolarHBondContact O-N 3.36Å; L69-H73 VanDerWaalsContact O-N 3.13Å; L69-L76 HydrophobicContact CB-CD2 4.13Å; L69-L76 HydrophobicContact CD2-CD2 3.79Å; L69-E80 HydrophobicContact CD2-CB 3.98Å; L69-E80 HydrophobicContact CD2-CG 4.32Å; L69-L83 HydrophobicContact CD1-CB 4.33Å; L69-L84 HydrophobicContact CB-CB 4.46Å; L69-L84 HydrophobicContact CB-CD1 4.13Å; L69-L84 HydrophobicContact CD1-CB 3.96Å |
| 70 | L | 90.1 | Very high | 87.6 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 178.1 | -70.7 | -179.2 | 0 | 0 | 0 | 112.8 | V66 R72 H73 L84 | V66-L70 HydrophobicContact CG1-CD1 3.52Å; V66-L70 HydrophobicContact CG1-CG 3.99Å; V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 VanDerWaalsContact O-CG 3.29Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 3.12Å; L70-R72 PolarHBondContact O-N 3.46Å; L70-R72 VanDerWaalsContact O-N 3.09Å; L70-H73 WeakPolarHBondContact O-CB 3.4Å; L70-H73 PolarHBondContact O-N 2.96Å; L70-H73 VanDerWaalsContact O-N 3.12Å; L70-H73 PolarHBondContact O-ND1 3.5Å; L70-L84 HydrophobicContact CD2-CD1 4.08Å; L70-L84 HydrophobicContact CD2-CD2 3.92Å; L70-L84 HydrophobicContact CG-CD1 4.16Å |
| 71 | K | 88.8 | Confident | 87.5 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57.6 | -25 | 171.9 | -79.6 | 179.7 | 179.1 | 177.8 | 0 | 112.5 | T67 L69 | T67-K71 HydrophobicContact CG2-CD 4.47Å; T67-K71 WeakPolarHBondContact O-CG 3.39Å; T67-K71 PolarHBondContact O-N 3.43Å; L69-K71 PolarHBondContact O-N 2.75Å |
| 72 | R | 85.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 14.6 | -177.6 | -54.1 | 177.1 | 76.7 | -165.4 | 16.2 | 112.9 | I68 L69 L70 R74 R75 L76 E80 E324 | I68-R72 WeakPolarHBondContact O-CG 3.17Å; L69-R72 CarbonylContact O-C 3.34Å; L69-R72 WeakPolarHBondContact O-CA 3.43Å; L69-R72 PolarHBondContact O-N 3.01Å; L70-R72 PolarHBondContact O-N 3.46Å; L70-R72 VanDerWaalsContact O-N 3.09Å; R72-R74 PolarHBondContact O-N 3.02Å; R72-R75 PolarHBondContact O-N 3.25Å; R72-L76 HydrophobicContact CB-CD2 4.38Å; R72-L76 PolarHBondContact O-N 3.47Å; R72-E80 IonicContact NH1-OE1 3.96Å; R72-E324 IonicContact CZ-OE1 3.95Å; R72-E324 IonicContact CZ-OE2 3.16Å; R72-E324 IonicContact NE-OE1 3.07Å; R72-E324 IonicContact NH1-OE1 3.89Å; R72-E324 PolarHBondContact NH1-OE1 3.43Å; R72-E324 IonicContact NH2-OE1 3.44Å; R72-E324 PolarHBondContact NH2-OE1 3.03Å |
| 73 | H | 82.9 | Confident | 87.2 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -50.7 | -36.8 | -167.7 | 75.6 | -84.1 | 0 | 0 | 0 | 114.5 | L69 L70 R75 L76 | L69-H73 PolarHBondContact O-N 3.36Å; L69-H73 VanDerWaalsContact O-N 3.13Å; L70-H73 WeakPolarHBondContact O-CB 3.4Å; L70-H73 PolarHBondContact O-N 2.96Å; L70-H73 VanDerWaalsContact O-N 3.12Å; L70-H73 PolarHBondContact O-ND1 3.5Å; H73-R75 PolarHBondContact O-N 2.95Å; H73-L76 HydrophobicContact CB-CD1 4.39Å |
| 74 | R | 80.9 | Confident | 87.2 | Confident | 223 Ų | 223 | 58.8 Ų | 58.8 | 84% | 0.842 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.3 | 179.4 | -60 | -170 | 179.1 | 173.7 | -1.2 | 114.7 | R72 | R72-R74 PolarHBondContact O-N 3.02Š|
| 75 | R | 81.8 | Confident | 87.4 | Confident | 219 Ų | 219 | 57.2 Ų | 57.2 | 83% | 0.826 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -122.6 | 13.6 | -174.6 | -60.7 | -177.1 | -177.6 | 173.9 | 0.9 | 112.5 | R72 H73 R77 | R72-R75 PolarHBondContact O-N 3.25Å; H73-R75 PolarHBondContact O-N 2.95Å; R75-R77 PolarHBondContact O-N 3.27Å |
| 76 | L | 82.5 | Confident | 87.5 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | trans | -65.4 | 131.9 | 179.3 | -68.4 | 175 | 0 | 0 | 0 | 110.8 | L69 R72 H73 E80 I81 L84 | L69-L76 HydrophobicContact CB-CD2 4.13Å; L69-L76 HydrophobicContact CD2-CD2 3.79Å; R72-L76 HydrophobicContact CB-CD2 4.38Å; R72-L76 PolarHBondContact O-N 3.47Å; H73-L76 HydrophobicContact CB-CD1 4.39Å; L76-E80 HydrophobicContact CB-CB 4.35Å; L76-E80 HydrophobicContact CD2-CB 3.83Å; L76-I81 HydrophobicContact CB-CG1 3.88Å; L76-I81 HydrophobicContact CD1-CG1 4.35Å; L76-L84 HydrophobicContact CD1-CD2 4.24Å | ||
| 77 | R | 83 | Confident | 87.6 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | trans | -74.7 | 159.9 | 166.9 | -62.7 | 172.9 | -65.7 | 161.5 | 4 | 109.6 | R75 T79 E80 I81 Q320 | R75-R77 PolarHBondContact O-N 3.27Å; R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.29Å; R77-E80 HydrophobicContact CB-CG 4.34Å; R77-E80 WeakPolarHBondContact CB-OE2 3.49Å; R77-E80 WeakPolarHBondContact CG-OE2 3.28Å; R77-E80 IonicContact CZ-OE1 3.45Å; R77-E80 IonicContact CZ-OE2 3.89Å; R77-E80 PolarHBondContact N-OE2 2.89Å; R77-E80 VanDerWaalsContact NE-CD 3.3Å; R77-E80 IonicContact NE-OE1 2.69Å; R77-E80 PolarHBondContact NE-OE1 3.4Å; R77-E80 IonicContact NE-OE2 3.92Å; R77-E80 PolarHBondContact NE-OE2 3.36Å; R77-E80 VanDerWaalsContact NH2-CD 3.32Å; R77-E80 IonicContact NH2-OE1 2.73Å; R77-E80 PolarHBondContact NH2-OE1 3.01Å; R77-E80 IonicContact NH2-OE2 3.34Å; R77-E80 WeakPolarHBondContact O-CA 3.42Å; R77-E80 WeakPolarHBondContact O-CB 3.41Å; R77-E80 PolarHBondContact O-N 3.39Å; R77-I81 PolarHBondContact O-N 3.28Å; R77-Q320 VanDerWaalsContact CZ-NE2 3.35Å | ||
| 78 | I | 83.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.6 | -46 | -178.8 | -64.1 | 171.9 | 0 | 0 | 0 | 112.3 | E80 I81 Y82 D139 M151 R154 V159 | I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 PolarHBondContact O-N 3.31Å; I78-I81 WeakPolarHBondContact O-CB 3.19Å; I78-I81 PolarHBondContact O-N 3.43Å; I78-Y82 HydrophobicContact CG2-CD2 4.15Å; I78-Y82 HydrophobicContact CG2-CE2 3.76Å; I78-Y82 WeakPolarHBondContact O-CD2 3.4Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-D139 WeakPolarHBondContact CG2-OD1 3.48Å; I78-M151 VanDerWaalsContact CD1-O 3.27Å; I78-M151 WeakPolarHBondContact CD1-O 3.48Å; I78-R154 HydrophobicContact CD1-CB 3.77Å; I78-V159 HydrophobicContact CB-CG2 4.42Å; I78-V159 HydrophobicContact CG1-CG2 4.12Å; I78-V159 HydrophobicContact CG2-CG1 4.27Å; I78-V159 HydrophobicContact CG2-CG2 3.75Å |
| 79 | T | 81.8 | Confident | 88.3 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 175.5 | 45 | 0 | 0 | 0 | 0 | 113 | R77 I81 Y82 L83 | R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.29Å; T79-I81 PolarHBondContact O-N 2.86Å; T79-Y82 PolarHBondContact O-N 3.35Å; T79-L83 WeakPolarHBondContact O-CB 3.31Å; T79-L83 WeakPolarHBondContact O-CG 3.32Å; T79-L83 PolarHBondContact O-N 3.47Å |
| 80 | E | 86.2 | Confident | 88.6 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -26 | -178.3 | -66.2 | 172.1 | 147.1 | 0 | 0 | 111.5 | L69 R72 L76 R77 I78 L84 | L69-E80 HydrophobicContact CD2-CB 3.98Å; L69-E80 HydrophobicContact CD2-CG 4.32Å; R72-E80 IonicContact NH1-OE1 3.96Å; L76-E80 HydrophobicContact CB-CB 4.35Å; L76-E80 HydrophobicContact CD2-CB 3.83Å; R77-E80 HydrophobicContact CB-CG 4.34Å; R77-E80 WeakPolarHBondContact CB-OE2 3.49Å; R77-E80 WeakPolarHBondContact CG-OE2 3.28Å; R77-E80 IonicContact CZ-OE1 3.45Å; R77-E80 IonicContact CZ-OE2 3.89Å; R77-E80 PolarHBondContact N-OE2 2.89Å; R77-E80 VanDerWaalsContact NE-CD 3.3Å; R77-E80 IonicContact NE-OE1 2.69Å; R77-E80 PolarHBondContact NE-OE1 3.4Å; R77-E80 IonicContact NE-OE2 3.92Å; R77-E80 PolarHBondContact NE-OE2 3.36Å; R77-E80 VanDerWaalsContact NH2-CD 3.32Å; R77-E80 IonicContact NH2-OE1 2.73Å; R77-E80 PolarHBondContact NH2-OE1 3.01Å; R77-E80 IonicContact NH2-OE2 3.34Å; R77-E80 WeakPolarHBondContact O-CA 3.42Å; R77-E80 WeakPolarHBondContact O-CB 3.41Å; R77-E80 PolarHBondContact O-N 3.39Å; I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 PolarHBondContact O-N 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.48Å; E80-L84 PolarHBondContact O-N 3.04Å |
| 81 | I | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -48.7 | 170.6 | -61.2 | 167.9 | 0 | 0 | 0 | 110.4 | L76 R77 I78 T79 L83 L84 H85 P156 V159 H160 | L76-I81 HydrophobicContact CB-CG1 3.88Å; L76-I81 HydrophobicContact CD1-CG1 4.35Å; R77-I81 PolarHBondContact O-N 3.28Å; I78-I81 WeakPolarHBondContact O-CB 3.19Å; I78-I81 PolarHBondContact O-N 3.43Å; T79-I81 PolarHBondContact O-N 2.86Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.24Å; I81-L84 WeakPolarHBondContact O-CB 3.32Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-L84 VanDerWaalsContact O-N 3.16Å; I81-H85 PolarHBondContact O-CD2 3.15Å; I81-H85 VanDerWaalsContact O-CD2 3.28Å; I81-H85 PolarHBondContact O-N 2.73Å; I81-P156 HydrophobicContact CD1-CB 3.77Å; I81-V159 HydrophobicContact CB-CG1 4.13Å; I81-V159 HydrophobicContact CD1-CB 4.35Å; I81-V159 HydrophobicContact CD1-CG1 4.47Å; I81-V159 HydrophobicContact CG2-CB 4.47Å; I81-V159 HydrophobicContact CG2-CG1 3.79Å; I81-H160 VanDerWaalsContact CG2-CE1 3.45Å; I81-H160 WeakPolarHBondContact CG2-CE1 3.37Å |
| 82 | Y | 90.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.6 | -72.2 | -62.7 | 0 | 0 | 0 | 112 | I78 T79 L84 H85 L86 L132 C135 I136 D139 V159 | I78-Y82 HydrophobicContact CG2-CD2 4.15Å; I78-Y82 HydrophobicContact CG2-CE2 3.76Å; I78-Y82 WeakPolarHBondContact O-CD2 3.4Å; I78-Y82 PolarHBondContact O-N 3.01Å; T79-Y82 PolarHBondContact O-N 3.35Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.16Å; Y82-H85 PolarHBondContact O-N 3.3Å; Y82-L86 WeakPolarHBondContact O-CB 3.41Å; Y82-L86 PolarHBondContact O-N 3.26Å; Y82-L132 HydrophobicContact CD1-CD2 4.21Å; Y82-C135 HydrophobicContact CD1-CB 4.13Å; Y82-C135 HydrophobicContact CE1-CB 3.66Å; Y82-I136 VanDerWaalsContact CB-CG1 3.49Å; Y82-I136 HydrophobicContact CD2-CG1 4.48Å; Y82-I136 HydrophobicContact CG-CG1 4.03Å; Y82-D139 HydrophobicContact CD2-CB 4.49Å; Y82-D139 HydrophobicContact CE2-CB 3.92Å; Y82-V159 HydrophobicContact CD1-CG1 4.45Å; Y82-V159 HydrophobicContact CD2-CG1 4.32Å; Y82-V159 HydrophobicContact CE1-CG1 4.02Å; Y82-V159 HydrophobicContact CE2-CG1 3.9Å |
| 83 | L | 89.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 174.9 | -74.3 | -175.9 | 0 | 0 | 0 | 112.7 | M65 L69 T79 I81 L86 A87 I136 Y314 | M65-L83 HydrophobicContact CE-CB 3.52Å; M65-L83 HydrophobicContact CE-CD1 4.17Å; M65-L83 HydrophobicContact CE-CD2 3.95Å; M65-L83 HydrophobicContact CE-CG 4.07Å; L69-L83 HydrophobicContact CD1-CB 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.31Å; T79-L83 WeakPolarHBondContact O-CG 3.32Å; T79-L83 PolarHBondContact O-N 3.47Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.24Å; L83-L86 PolarHBondContact O-N 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 3.2Å; L83-I136 HydrophobicContact CD2-CD1 4.4Å; L83-Y314 HydrophobicContact CD1-CD1 4.35Å; L83-Y314 HydrophobicContact CD1-CE1 4.39Å; L83-Y314 HydrophobicContact CD2-CD1 4.19Å; L83-Y314 HydrophobicContact CD2-CD2 4.25Å; L83-Y314 HydrophobicContact CD2-CE1 3.53Å; L83-Y314 HydrophobicContact CD2-CE2 3.59Å; L83-Y314 VanDerWaalsContact CD2-OH 3.28Å; L83-Y314 WeakPolarHBondContact CD2-OH 3.44Å |
| 84 | L | 92.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 173.2 | 175.3 | 64.7 | 0 | 0 | 0 | 111 | V66 L69 L70 L76 E80 I81 Y82 L86 A87 L88 | V66-L84 HydrophobicContact CB-CD1 4.4Å; V66-L84 HydrophobicContact CG1-CD1 4.17Å; V66-L84 HydrophobicContact CG2-CD1 4.21Å; L69-L84 HydrophobicContact CB-CB 4.46Å; L69-L84 HydrophobicContact CB-CD1 4.13Å; L69-L84 HydrophobicContact CD1-CB 3.96Å; L70-L84 HydrophobicContact CD2-CD1 4.08Å; L70-L84 HydrophobicContact CD2-CD2 3.92Å; L70-L84 HydrophobicContact CG-CD1 4.16Å; L76-L84 HydrophobicContact CD1-CD2 4.24Å; E80-L84 WeakPolarHBondContact O-CB 3.48Å; E80-L84 PolarHBondContact O-N 3.04Å; I81-L84 WeakPolarHBondContact O-CB 3.32Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-L84 VanDerWaalsContact O-N 3.16Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.16Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 2.95Å; L84-A87 PolarHBondContact O-N 3.39Å; L84-L88 WeakPolarHBondContact O-CG 3.24Å; L84-L88 PolarHBondContact O-N 2.88Å |
| 85 | H | 94.7 | Very high | 91 | Very high | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | 177.8 | -77.8 | -79.8 | 0 | 0 | 0 | 112.6 | I81 Y82 L88 A89 L132 H160 C163 W167 | I81-H85 PolarHBondContact O-CD2 3.15Å; I81-H85 VanDerWaalsContact O-CD2 3.28Å; I81-H85 PolarHBondContact O-N 2.73Å; Y82-H85 PolarHBondContact O-N 3.3Å; H85-L88 PolarHBondContact O-N 3.42Å; H85-A89 PolarHBondContact O-N 3.27Å; H85-L132 HydrophobicContact CB-CD1 4.03Å; H85-L132 HydrophobicContact CB-CD2 3.87Å; H85-H160 AromaticContact NE2-ND1 3.55Å; H85-C163 VanDerWaalsContact CD2-CB 3.48Å; H85-C163 WeakPolarHBondContact CD2-CB 3.37Å; H85-C163 PolarHBondContact CD2-SG 3.28Å; H85-C163 WeakPolarHBondContact NE2-CB 3.33Å; H85-W167 AromaticContact CG-NE1 3.86Å; H85-W167 AromaticContact ND1-CD1 3.64Å; H85-W167 AromaticContact ND1-NE1 3.15Å; H85-W167 PolarHBondContact ND1-NE1 3.49Å; H85-W167 VanDerWaalsContact ND1-NE1 3.15Å |
| 86 | L | 93 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 174.6 | -176 | 64 | 0 | 0 | 0 | 110.9 | Y82 L83 L84 L88 A89 D90 L132 L133 I136 | Y82-L86 WeakPolarHBondContact O-CB 3.41Å; Y82-L86 PolarHBondContact O-N 3.26Å; L83-L86 PolarHBondContact O-N 3.24Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 2.95Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 PolarHBondContact O-N 2.95Å; L86-A89 WeakPolarHBondContact O-CB 3.25Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-A89 VanDerWaalsContact O-N 3.09Å; L86-D90 PolarHBondContact O-N 3.4Å; L86-L132 HydrophobicContact CD1-CB 4.34Å; L86-L133 HydrophobicContact CD1-CG 4.35Å; L86-L133 HydrophobicContact CD2-CD2 4.03Å; L86-I136 HydrophobicContact CD2-CD1 4.03Å |
| 87 | A | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N62 M65 V66 L83 L84 L91 | N62-A87 HydrophobicContact CB-CB 4.46Å; M65-A87 HydrophobicContact CG-CB 4.27Å; M65-A87 HydrophobicContact SD-CB 4.34Å; V66-A87 HydrophobicContact CG2-CB 3.68Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 3.2Å; L84-A87 PolarHBondContact O-N 3.39Å; A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.16Å |
| 88 | L | 95.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 21.9 Ų | 21.9 | 35% | 0.346 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 172.2 | -69.5 | 172.4 | 0 | 0 | 0 | 112.3 | V66 L84 H85 L86 L91 I92 W167 | V66-L88 HydrophobicContact CG1-CD2 4.5Å; V66-L88 HydrophobicContact CG2-CD2 4.27Å; L84-L88 WeakPolarHBondContact O-CG 3.24Å; L84-L88 PolarHBondContact O-N 2.88Å; H85-L88 PolarHBondContact O-N 3.42Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 PolarHBondContact O-N 2.95Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-I92 PolarHBondContact O-N 2.81Å; L88-I92 VanDerWaalsContact O-N 3.15Å; L88-W167 HydrophobicContact CB-CH2 4.47Å; L88-W167 HydrophobicContact CB-CZ2 4.16Å |
| 89 | A | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H85 L86 L91 I92 L93 C128 L132 W167 | H85-A89 PolarHBondContact O-N 3.27Å; L86-A89 WeakPolarHBondContact O-CB 3.25Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-A89 VanDerWaalsContact O-N 3.09Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 2.77Å; A89-I92 WeakPolarHBondContact O-CB 3.5Å; A89-I92 PolarHBondContact O-N 2.88Å; A89-I92 VanDerWaalsContact O-N 3.12Å; A89-L93 PolarHBondContact O-N 3.46Å; A89-L93 VanDerWaalsContact O-N 3.13Å; A89-C128 HydrophobicContact CB-CB 4.09Å; A89-L132 HydrophobicContact CB-CD1 4.33Å; A89-W167 HydrophobicContact CB-CH2 4.26Å; A89-W167 HydrophobicContact CB-CZ2 4.13Å |
| 90 | D | 95.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.043 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -37.3 | 174.6 | -75.5 | -23 | 0 | 0 | 0 | 111.2 | L86 I92 L93 I94 C307 N310 | L86-D90 PolarHBondContact O-N 3.4Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.42Å; D90-L93 WeakPolarHBondContact O-CB 3.2Å; D90-L93 PolarHBondContact O-N 2.86Å; D90-I94 VanDerWaalsContact O-CD1 3.3Å; D90-I94 WeakPolarHBondContact O-CD1 3.5Å; D90-I94 VanDerWaalsContact O-CG1 3.22Å; D90-I94 WeakPolarHBondContact O-CG1 2.89Å; D90-I94 PolarHBondContact O-N 2.88Å; D90-C307 HydrophobicContact CB-CB 3.94Å; D90-N310 PolarHBondContact OD2-ND2 2.99Å |
| 91 | L | 96.2 | Very high | 93.6 | Very high | 42 Ų | 42 | 22.3 Ų | 22.3 | 22% | 0.22 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | 173.1 | -75.6 | 170.7 | 0 | 0 | 0 | 113.2 | L59 N62 V66 A87 L88 A89 I94 F95 | L59-L91 HydrophobicContact CD1-CD2 4.2Å; N62-L91 HydrophobicContact CB-CD2 3.99Å; N62-L91 HydrophobicContact CB-CG 3.97Å; V66-L91 HydrophobicContact CG2-CD1 3.87Å; A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 3.22Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 2.77Å; L91-I94 HydrophobicContact CD2-CD1 4.2Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.45Å |
| 92 | I | 96.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 24.6 Ų | 24.6 | 16% | 0.159 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 172.1 | -68.8 | 177.3 | 0 | 0 | 0 | 110 | L88 A89 D90 I94 F95 T96 L121 M124 W167 | L88-I92 PolarHBondContact O-N 2.81Å; L88-I92 VanDerWaalsContact O-N 3.15Å; A89-I92 WeakPolarHBondContact O-CB 3.5Å; A89-I92 PolarHBondContact O-N 2.88Å; A89-I92 VanDerWaalsContact O-N 3.12Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.42Å; I92-I94 PolarHBondContact O-N 2.93Å; I92-F95 WeakPolarHBondContact O-CB 3.28Å; I92-F95 PolarHBondContact O-N 2.9Å; I92-T96 WeakPolarHBondContact O-CG2 3.4Å; I92-T96 PolarHBondContact O-N 2.83Å; I92-L121 HydrophobicContact CG2-CB 3.82Å; I92-L121 HydrophobicContact CG2-CD2 3.83Å; I92-L121 HydrophobicContact CG2-CG 4.3Å; I92-M124 HydrophobicContact CD1-SD 4.29Å; I92-W167 HydrophobicContact CD1-CH2 3.48Å; I92-W167 VanDerWaalsContact CD1-CH2 3.48Å; I92-W167 HydrophobicContact CD1-CZ3 3.44Å; I92-W167 VanDerWaalsContact CD1-CZ3 3.44Å |
| 93 | L | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.5 | -51.2 | 173.6 | 166.7 | 53.9 | 0 | 0 | 0 | 111 | A89 D90 F95 T96 L97 Y125 V304 C307 | A89-L93 PolarHBondContact O-N 3.46Å; A89-L93 VanDerWaalsContact O-N 3.13Å; D90-L93 WeakPolarHBondContact O-CB 3.2Å; D90-L93 PolarHBondContact O-N 2.86Å; L93-F95 VanDerWaalsContact C-N 3.26Å; L93-F95 PolarHBondContact O-N 3.27Å; L93-T96 WeakPolarHBondContact O-CA 3.4Å; L93-T96 PolarHBondContact O-N 3.29Å; L93-T96 PolarHBondContact O-OG1 3.03Å; L93-L97 HydrophobicContact CD1-CD2 3.99Å; L93-L97 PolarHBondContact O-N 3.46Å; L93-Y125 HydrophobicContact CB-CD1 3.96Å; L93-Y125 HydrophobicContact CB-CD2 3.83Å; L93-Y125 HydrophobicContact CB-CE1 4.34Å; L93-Y125 HydrophobicContact CB-CE2 4.26Å; L93-Y125 HydrophobicContact CB-CG 3.74Å; L93-Y125 HydrophobicContact CD1-CD1 4.15Å; L93-Y125 HydrophobicContact CD1-CD2 4.31Å; L93-Y125 HydrophobicContact CD1-CE1 3.65Å; L93-Y125 HydrophobicContact CD1-CE2 3.87Å; L93-Y125 HydrophobicContact CD2-CD2 4.06Å; L93-Y125 HydrophobicContact CD2-CE2 3.89Å; L93-Y125 HydrophobicContact CG-CD2 4.29Å; L93-Y125 HydrophobicContact CG-CE2 4.23Å; L93-V304 HydrophobicContact CD1-CG1 4.07Å; L93-V304 HydrophobicContact CD1-CG2 4.25Å; L93-V304 HydrophobicContact CD2-CG1 4.37Å; L93-V304 HydrophobicContact CG-CG1 4.45Å; L93-C307 HydrophobicContact CD2-CB 3.77Å; L93-C307 HydrophobicContact CG-CB 4.47Å |
| 94 | I | 96.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -40.2 | 179.9 | -67.8 | 155.3 | 0 | 0 | 0 | 111.4 | F55 G58 L59 N62 D90 L91 I92 T96 L97 P98 | F55-I94 HydrophobicContact CD2-CG2 3.56Å; F55-I94 WeakPolarHBondContact CD2-O 3.45Å; F55-I94 HydrophobicContact CE2-CG2 3.93Å; F55-I94 HydrophobicContact CG-CG2 4.41Å; G58-I94 WeakPolarHBondContact O-CD1 3.43Å; L59-I94 HydrophobicContact CB-CG2 4.16Å; N62-I94 HydrophobicContact CB-CD1 4.31Å; D90-I94 VanDerWaalsContact O-CD1 3.3Å; D90-I94 WeakPolarHBondContact O-CD1 3.5Å; D90-I94 VanDerWaalsContact O-CG1 3.22Å; D90-I94 WeakPolarHBondContact O-CG1 2.89Å; D90-I94 PolarHBondContact O-N 2.88Å; L91-I94 HydrophobicContact CD2-CD1 4.2Å; L91-I94 PolarHBondContact O-N 3.34Å; I92-I94 PolarHBondContact O-N 2.93Å; I94-T96 PolarHBondContact O-N 3.09Å; I94-L97 PolarHBondContact O-N 2.86Å; I94-P98 WeakPolarHBondContact O-CD 3.47Å |
| 95 | F | 95.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 29.8 Ų | 29.8 | 47% | 0.474 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.8 | -28 | 176.3 | -179.7 | -99.7 | 0 | 0 | 0 | 113.1 | L91 I92 L93 P98 F99 L121 | L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.45Å; I92-F95 WeakPolarHBondContact O-CB 3.28Å; I92-F95 PolarHBondContact O-N 2.9Å; L93-F95 VanDerWaalsContact C-N 3.26Å; L93-F95 PolarHBondContact O-N 3.27Å; F95-P98 WeakPolarHBondContact O-CD 3.3Å; F95-F99 HydrophobicContact CD1-CE2 4.11Å; F95-F99 AromaticContact CE1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CZ 4.09Å; F95-F99 AromaticContact CZ-CE2 3.9Å; F95-F99 HydrophobicContact CZ-CE2 3.9Å; F95-F99 HydrophobicContact CZ-CZ 4.09Å; F95-F99 VanDerWaalsContact O-CD2 3.31Å; F95-F99 WeakPolarHBondContact O-CD2 3.22Å; F95-F99 WeakPolarHBondContact O-CE2 3.13Å; F95-L121 HydrophobicContact CD1-CD1 3.8Å; F95-L121 HydrophobicContact CE1-CD1 3.97Å |
| 96 | T | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.6 | -18.7 | 177 | 64.7 | 0 | 0 | 0 | 0 | 114 | I92 L93 I94 F99 N100 Y118 L121 | I92-T96 WeakPolarHBondContact O-CG2 3.4Å; I92-T96 PolarHBondContact O-N 2.83Å; L93-T96 WeakPolarHBondContact O-CA 3.4Å; L93-T96 PolarHBondContact O-N 3.29Å; L93-T96 PolarHBondContact O-OG1 3.03Å; I94-T96 PolarHBondContact O-N 3.09Å; T96-F99 WeakPolarHBondContact O-CB 3.38Å; T96-F99 PolarHBondContact O-N 3.43Å; T96-N100 PolarHBondContact O-N 3.11Å; T96-Y118 HydrophobicContact CG2-CD2 4.08Å; T96-Y118 HydrophobicContact CG2-CE2 4.44Å; T96-L121 HydrophobicContact CG2-CB 3.69Å; T96-L121 HydrophobicContact CG2-CD1 4.29Å |
| 97 | L | 93.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | -175.9 | -57.2 | 179.6 | 0 | 0 | 0 | 114.3 | I54 F55 L93 I94 F99 N100 V101 V304 | I54-L97 HydrophobicContact CB-CD1 4.25Å; I54-L97 HydrophobicContact CG2-CD1 3.9Å; F55-L97 HydrophobicContact CB-CD1 4.12Å; L93-L97 HydrophobicContact CD1-CD2 3.99Å; L93-L97 PolarHBondContact O-N 3.46Å; I94-L97 PolarHBondContact O-N 2.86Å; L97-F99 PolarHBondContact O-N 3.15Å; L97-N100 PolarHBondContact O-N 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.01Å; L97-V304 HydrophobicContact CD1-CG1 4.25Å; L97-V304 HydrophobicContact CD2-CG1 3.47Å; L97-V304 VanDerWaalsContact CD2-CG1 3.47Å; L97-V304 HydrophobicContact CG-CG1 4.48Å |
| 98 | P | 93.1 | Very high | 92 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.9 | -34.7 | 177.5 | -25.1 | 35.5 | 0 | 0 | 0 | 113.2 | F55 I94 F95 V101 V102 | F55-P98 HydrophobicContact CD2-CG 3.93Å; F55-P98 HydrophobicContact CE2-CG 3.77Å; F55-P98 HydrophobicContact CZ-CG 4.43Å; I94-P98 WeakPolarHBondContact O-CD 3.47Å; F95-P98 WeakPolarHBondContact O-CD 3.3Å; P98-V101 PolarHBondContact O-N 3.13Å; P98-V102 WeakPolarHBondContact O-CG2 3.32Å; P98-V102 PolarHBondContact O-N 3.31Å |
| 99 | F | 92.9 | Very high | 91.8 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 176.5 | -63.5 | -90.4 | 0 | 0 | 0 | 110.8 | F95 T96 L97 V101 V102 E103 W108 F110 F114 Y118 | F95-F99 HydrophobicContact CD1-CE2 4.11Å; F95-F99 AromaticContact CE1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CZ 4.09Å; F95-F99 AromaticContact CZ-CE2 3.9Å; F95-F99 HydrophobicContact CZ-CE2 3.9Å; F95-F99 HydrophobicContact CZ-CZ 4.09Å; F95-F99 VanDerWaalsContact O-CD2 3.31Å; F95-F99 WeakPolarHBondContact O-CD2 3.22Å; F95-F99 WeakPolarHBondContact O-CE2 3.13Å; T96-F99 WeakPolarHBondContact O-CB 3.38Å; T96-F99 PolarHBondContact O-N 3.43Å; L97-F99 PolarHBondContact O-N 3.15Å; F99-V101 PolarHBondContact O-N 3.33Å; F99-V102 PolarHBondContact O-N 3.45Å; F99-E103 VanDerWaalsContact O-CB 3.3Å; F99-E103 WeakPolarHBondContact O-CB 3.47Å; F99-E103 PolarHBondContact O-N 3.47Å; F99-W108 HydrophobicContact CB-CH2 4.05Å; F99-W108 HydrophobicContact CB-CZ3 4.06Å; F99-W108 AromaticContact CD1-CH2 3.82Å; F99-W108 HydrophobicContact CD1-CH2 3.82Å; F99-W108 HydrophobicContact CD1-CZ2 4.34Å; F99-W108 HydrophobicContact CG-CH2 4.31Å; F99-F110 HydrophobicContact CB-CE2 4.24Å; F99-F110 HydrophobicContact CD1-CB 4.36Å; F99-F110 AromaticContact CD1-CD1 3.97Å; F99-F110 HydrophobicContact CD1-CD1 3.97Å; F99-F110 AromaticContact CD1-CD2 3.56Å; F99-F110 HydrophobicContact CD1-CD2 3.56Å; F99-F110 HydrophobicContact CD1-CE1 4.09Å; F99-F110 AromaticContact CD1-CE2 3.7Å; F99-F110 HydrophobicContact CD1-CE2 3.7Å; F99-F110 AromaticContact CD1-CG 3.69Å; F99-F110 HydrophobicContact CD1-CG 3.69Å; F99-F110 AromaticContact CD1-CZ 3.95Å; F99-F110 HydrophobicContact CD1-CZ 3.95Å; F99-F110 HydrophobicContact CE1-CB 4.31Å; F99-F110 AromaticContact CE1-CD1 3.84Å; F99-F110 HydrophobicContact CE1-CD1 3.84Å; F99-F110 HydrophobicContact CE1-CD2 4.22Å; F99-F110 HydrophobicContact CE1-CE1 4.16Å; F99-F110 AromaticContact CE1-CG 3.86Å; F99-F110 HydrophobicContact CE1-CG 3.86Å; F99-F110 HydrophobicContact CE1-CZ 4.47Å; F99-F110 HydrophobicContact CG-CE2 4.33Å; F99-F114 HydrophobicContact CE1-CB 4.19Å; F99-F114 AromaticContact CE1-CD1 3.76Å; F99-F114 HydrophobicContact CE1-CD1 3.76Å; F99-F114 HydrophobicContact CE1-CG 4.22Å; F99-F114 AromaticContact CZ-CD1 3.95Å; F99-F114 HydrophobicContact CZ-CD1 3.95Å; F99-F114 HydrophobicContact CZ-CE1 4.39Å; F99-Y118 HydrophobicContact CB-CD2 4.05Å; F99-Y118 HydrophobicContact CB-CE2 4.25Å |
| 100 | N | 89.7 | Confident | 91.7 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.7 | -172.8 | -13.3 | 0 | 0 | 0 | 111.7 | T96 L97 V102 E103 S104 | T96-N100 PolarHBondContact O-N 3.11Å; L97-N100 PolarHBondContact O-N 3.28Å; N100-V102 PolarHBondContact O-N 2.82Å; N100-E103 PolarHBondContact O-N 3.07Å; N100-S104 WeakPolarHBondContact O-CB 3.22Å; N100-S104 PolarHBondContact O-N 3.09Å; N100-S104 PolarHBondContact O-OG 2.95Å |
| 101 | V | 90.1 | Very high | 91.6 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | P48 N51 L97 P98 F99 S104 V105 | P48-V101 HydrophobicContact CB-CG1 3.95Å; N51-V101 HydrophobicContact CB-CG2 3.58Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.01Å; P98-V101 PolarHBondContact O-N 3.13Å; F99-V101 PolarHBondContact O-N 3.33Å; V101-S104 PolarHBondContact O-N 3.37Å; V101-S104 PolarHBondContact O-OG 2.85Å; V101-V105 WeakPolarHBondContact O-CG2 3.32Å; V101-V105 PolarHBondContact O-N 2.94Å |
| 102 | V | 90.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 30% | 0.297 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | P98 F99 N100 S104 V105 A106 G107 L109 F110 | P98-V102 WeakPolarHBondContact O-CG2 3.32Å; P98-V102 PolarHBondContact O-N 3.31Å; F99-V102 PolarHBondContact O-N 3.45Å; N100-V102 PolarHBondContact O-N 2.82Å; V102-S104 VanDerWaalsContact C-N 3.3Å; V102-S104 PolarHBondContact O-N 2.9Å; V102-V105 PolarHBondContact O-N 3.41Å; V102-A106 PolarHBondContact O-N 3.36Å; V102-G107 PolarHBondContact O-N 3.35Å; V102-L109 HydrophobicContact CG1-CD1 4.16Å; V102-L109 HydrophobicContact CG1-CG 4.39Å; V102-F110 HydrophobicContact CB-CE2 3.77Å; V102-F110 HydrophobicContact CB-CZ 3.66Å; V102-F110 HydrophobicContact CG1-CE2 3.73Å; V102-F110 HydrophobicContact CG1-CZ 3.71Å; V102-F110 HydrophobicContact CG2-CZ 3.9Å |
| 103 | E | 87.4 | Confident | 91.3 | Very high | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 175.1 | -177.9 | 168.5 | -136.8 | 0 | 0 | 111.7 | F99 N100 V105 G107 W108 C194 | F99-E103 VanDerWaalsContact O-CB 3.3Å; F99-E103 WeakPolarHBondContact O-CB 3.47Å; F99-E103 PolarHBondContact O-N 3.47Å; N100-E103 PolarHBondContact O-N 3.07Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 3.06Å; E103-G107 WeakPolarHBondContact CA-O 3.47Å; E103-G107 VanDerWaalsContact O-CA 3.25Å; E103-G107 WeakPolarHBondContact O-CA 3.3Å; E103-G107 PolarHBondContact O-N 3.47Å; E103-W108 HydrophobicContact CB-CE3 4.16Å; E103-W108 HydrophobicContact CG-CE3 4.23Å; E103-C194 WeakPolarHBondContact OE1-CB 3.37Å; E103-C194 PolarHBondContact OE1-N 3.32Å |
| 104 | S | 82.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.5 | -20.8 | -179.4 | 69.7 | 0 | 0 | 0 | 0 | 115.4 | N100 V101 V102 | N100-S104 WeakPolarHBondContact O-CB 3.22Å; N100-S104 PolarHBondContact O-N 3.09Å; N100-S104 PolarHBondContact O-OG 2.95Å; V101-S104 PolarHBondContact O-N 3.37Å; V101-S104 PolarHBondContact O-OG 2.85Å; V102-S104 VanDerWaalsContact C-N 3.3Å; V102-S104 PolarHBondContact O-N 2.9Å |
| 105 | V | 84.7 | Confident | 91.2 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 59% | 0.594 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -109.1 | -38.3 | -174.5 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | P48 V101 V102 E103 | P48-V105 HydrophobicContact CB-CG2 4.41Å; P48-V105 HydrophobicContact CG-CG2 3.7Å; V101-V105 WeakPolarHBondContact O-CG2 3.32Å; V101-V105 PolarHBondContact O-N 2.94Å; V102-V105 PolarHBondContact O-N 3.41Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 3.06Å |
| 106 | A | 86.5 | Confident | 91.2 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -131 | 6.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V102 L109 L191 | V102-A106 PolarHBondContact O-N 3.36Å; A106-L109 HydrophobicContact CB-CD1 4.05Å; A106-L191 VanDerWaalsContact C-CD2 3.43Å; A106-L191 WeakPolarHBondContact O-CD2 3.49Å |
| 107 | G | 87.8 | Confident | 91.2 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | trans | 72.5 | -176.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V102 E103 L109 L192 | V102-G107 PolarHBondContact O-N 3.35Å; E103-G107 WeakPolarHBondContact CA-O 3.47Å; E103-G107 VanDerWaalsContact O-CA 3.25Å; E103-G107 WeakPolarHBondContact O-CA 3.3Å; E103-G107 PolarHBondContact O-N 3.47Å; G107-L109 PolarHBondContact O-N 3.37Å; G107-L192 CarbonylContact C-O 3.6Å; G107-L192 WeakPolarHBondContact CA-O 3.48Å | ||
| 108 | W | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | trans | -80.9 | 99 | -175.1 | -170.5 | -91.5 | 0 | 0 | 0 | 112.4 | F99 E103 F110 G111 F114 C115 Y118 V183 L192 C194 | F99-W108 HydrophobicContact CB-CH2 4.05Å; F99-W108 HydrophobicContact CB-CZ3 4.06Å; F99-W108 AromaticContact CD1-CH2 3.82Å; F99-W108 HydrophobicContact CD1-CH2 3.82Å; F99-W108 HydrophobicContact CD1-CZ2 4.34Å; F99-W108 HydrophobicContact CG-CH2 4.31Å; E103-W108 HydrophobicContact CB-CE3 4.16Å; E103-W108 HydrophobicContact CG-CE3 4.23Å; W108-F110 HydrophobicContact CD2-CD2 4.14Å; W108-F110 AromaticContact CE2-CD2 3.99Å; W108-F110 HydrophobicContact CE3-CD2 4.23Å; W108-F110 HydrophobicContact CH2-CD2 4.02Å; W108-F110 HydrophobicContact CZ2-CB 3.77Å; W108-F110 AromaticContact CZ2-CD2 3.89Å; W108-F110 HydrophobicContact CZ2-CD2 3.89Å; W108-F110 HydrophobicContact CZ2-CG 4.26Å; W108-F110 HydrophobicContact CZ3-CD2 4.2Å; W108-G111 PolarHBondContact NE1-O 3.34Å; W108-F114 VanDerWaalsContact CZ2-C 3.43Å; W108-F114 HydrophobicContact CZ2-CB 3.95Å; W108-C115 HydrophobicContact CZ2-CB 3.86Å; W108-Y118 AromaticContact CH2-CD1 3.86Å; W108-Y118 HydrophobicContact CH2-CD1 3.86Å; W108-Y118 AromaticContact CH2-CG 3.88Å; W108-Y118 HydrophobicContact CH2-CG 3.88Å; W108-Y118 AromaticContact CZ3-CD1 3.79Å; W108-Y118 HydrophobicContact CZ3-CD1 3.79Å; W108-Y118 HydrophobicContact CZ3-CE1 4.13Å; W108-Y118 HydrophobicContact CZ3-CG 4.17Å; W108-V183 VanDerWaalsContact CD1-CG2 3.41Å; W108-V183 HydrophobicContact CG-CG2 4.34Å; W108-L192 HydrophobicContact CB-CB 4.3Å; W108-L192 PolarHBondContact N-O 3.03Å; W108-C194 HydrophobicContact CB-CB 4.29Å; W108-C194 HydrophobicContact CD2-CB 3.42Å; W108-C194 VanDerWaalsContact CD2-CB 3.42Å; W108-C194 HydrophobicContact CE3-CB 3.45Å; W108-C194 VanDerWaalsContact CE3-CB 3.45Å; W108-C194 HydrophobicContact CG-CB 3.77Å; W108-C194 HydrophobicContact CZ3-CB 4.01Å | ||
| 109 | L | 92.9 | Very high | 91.3 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 62% | 0.618 | 25% | 0.247 | S | C | * | . | trans | -96.4 | -6.9 | -177.4 | -55.7 | -179.6 | 0 | 0 | 0 | 114.4 | V102 A106 G107 G111 | V102-L109 HydrophobicContact CG1-CD1 4.16Å; V102-L109 HydrophobicContact CG1-CG 4.39Å; A106-L109 HydrophobicContact CB-CD1 4.05Å; G107-L109 PolarHBondContact O-N 3.37Å; L109-G111 VanDerWaalsContact C-N 3.35Å; L109-G111 PolarHBondContact O-N 2.7Å | ||
| 110 | F | 92.9 | Very high | 91.4 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 31% | 0.307 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.4 | -4 | -169.1 | -51.9 | -80.9 | 0 | 0 | 0 | 113.9 | F99 V102 W108 F114 | F99-F110 HydrophobicContact CB-CE2 4.24Å; F99-F110 HydrophobicContact CD1-CB 4.36Å; F99-F110 AromaticContact CD1-CD1 3.97Å; F99-F110 HydrophobicContact CD1-CD1 3.97Å; F99-F110 AromaticContact CD1-CD2 3.56Å; F99-F110 HydrophobicContact CD1-CD2 3.56Å; F99-F110 HydrophobicContact CD1-CE1 4.09Å; F99-F110 AromaticContact CD1-CE2 3.7Å; F99-F110 HydrophobicContact CD1-CE2 3.7Å; F99-F110 AromaticContact CD1-CG 3.69Å; F99-F110 HydrophobicContact CD1-CG 3.69Å; F99-F110 AromaticContact CD1-CZ 3.95Å; F99-F110 HydrophobicContact CD1-CZ 3.95Å; F99-F110 HydrophobicContact CE1-CB 4.31Å; F99-F110 AromaticContact CE1-CD1 3.84Å; F99-F110 HydrophobicContact CE1-CD1 3.84Å; F99-F110 HydrophobicContact CE1-CD2 4.22Å; F99-F110 HydrophobicContact CE1-CE1 4.16Å; F99-F110 AromaticContact CE1-CG 3.86Å; F99-F110 HydrophobicContact CE1-CG 3.86Å; F99-F110 HydrophobicContact CE1-CZ 4.47Å; F99-F110 HydrophobicContact CG-CE2 4.33Å; V102-F110 HydrophobicContact CB-CE2 3.77Å; V102-F110 HydrophobicContact CB-CZ 3.66Å; V102-F110 HydrophobicContact CG1-CE2 3.73Å; V102-F110 HydrophobicContact CG1-CZ 3.71Å; V102-F110 HydrophobicContact CG2-CZ 3.9Å; W108-F110 HydrophobicContact CD2-CD2 4.14Å; W108-F110 AromaticContact CE2-CD2 3.99Å; W108-F110 HydrophobicContact CE3-CD2 4.23Å; W108-F110 HydrophobicContact CH2-CD2 4.02Å; W108-F110 HydrophobicContact CZ2-CB 3.77Å; W108-F110 AromaticContact CZ2-CD2 3.89Å; W108-F110 HydrophobicContact CZ2-CD2 3.89Å; W108-F110 HydrophobicContact CZ2-CG 4.26Å; W108-F110 HydrophobicContact CZ3-CD2 4.2Å; F110-F114 HydrophobicContact CB-CB 3.59Å; F110-F114 HydrophobicContact CB-CD2 4.28Å; F110-F114 HydrophobicContact CB-CG 4.09Å; F110-F114 VanDerWaalsContact O-CD2 3.24Å; F110-F114 WeakPolarHBondContact O-CD2 3.37Å |
| 111 | G | 92.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 73.9 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W108 L109 C115 | W108-G111 PolarHBondContact NE1-O 3.34Å; L109-G111 VanDerWaalsContact C-N 3.35Å; L109-G111 PolarHBondContact O-N 2.7Å; G111-C115 PolarHBondContact O-N 3.23Å |
| 112 | E | 91.9 | Very high | 91.8 | Very high | 85 Ų | 85 | 47 Ų | 47 | 40% | 0.397 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71 | -40.9 | -163.7 | -147.9 | -175 | 177.9 | 0 | 0 | 114.1 | F114 C115 M116 R198 | E112-F114 PolarHBondContact O-N 3.23Å; E112-C115 WeakPolarHBondContact O-CB 3.25Å; E112-C115 PolarHBondContact O-N 3.04Å; E112-C115 VanDerWaalsContact O-N 3.14Å; E112-M116 HydrophobicContact CB-CE 4.25Å; E112-M116 HydrophobicContact CG-CE 3.53Å; E112-M116 WeakPolarHBondContact O-CG 3.3Å; E112-M116 PolarHBondContact O-N 3.15Å; E112-R198 IonicContact OE1-CZ 3.51Å; E112-R198 IonicContact OE1-NH2 2.58Å; E112-R198 PolarHBondContact OE1-NH2 3.38Å |
| 113 | F | 94.6 | Very high | 92 | Very high | 141 Ų | 141 | 44.9 Ų | 44.9 | 62% | 0.618 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.2 | -46.9 | 179.3 | 172.2 | -98.6 | 0 | 0 | 0 | 111.8 | C115 M116 L117 | F113-C115 VanDerWaalsContact C-N 3.28Å; F113-C115 PolarHBondContact O-N 3.32Å; F113-M116 PolarHBondContact O-N 2.89Å; F113-L117 HydrophobicContact CE1-CD2 4.09Å; F113-L117 HydrophobicContact CZ-CD2 4.45Å; F113-L117 WeakPolarHBondContact O-CB 3.41Å; F113-L117 PolarHBondContact O-N 2.84Å |
| 114 | F | 94.9 | Very high | 92.3 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 37% | 0.368 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.6 | -29.4 | 178.9 | -76.6 | -78.2 | 0 | 0 | 0 | 111.9 | F99 W108 F110 E112 L117 Y118 | F99-F114 HydrophobicContact CE1-CB 4.19Å; F99-F114 AromaticContact CE1-CD1 3.76Å; F99-F114 HydrophobicContact CE1-CD1 3.76Å; F99-F114 HydrophobicContact CE1-CG 4.22Å; F99-F114 AromaticContact CZ-CD1 3.95Å; F99-F114 HydrophobicContact CZ-CD1 3.95Å; F99-F114 HydrophobicContact CZ-CE1 4.39Å; W108-F114 VanDerWaalsContact CZ2-C 3.43Å; W108-F114 HydrophobicContact CZ2-CB 3.95Å; F110-F114 HydrophobicContact CB-CB 3.59Å; F110-F114 HydrophobicContact CB-CD2 4.28Å; F110-F114 HydrophobicContact CB-CG 4.09Å; F110-F114 VanDerWaalsContact O-CD2 3.24Å; F110-F114 WeakPolarHBondContact O-CD2 3.37Å; E112-F114 PolarHBondContact O-N 3.23Å; F114-L117 HydrophobicContact CD1-CD2 4.29Å; F114-L117 PolarHBondContact O-N 2.89Å; F114-Y118 WeakPolarHBondContact O-CB 3.32Å; F114-Y118 PolarHBondContact O-N 3.02Å |
| 115 | C | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | W108 G111 E112 F113 L117 Y118 G119 L181 V183 C194 | W108-C115 HydrophobicContact CZ2-CB 3.86Å; G111-C115 PolarHBondContact O-N 3.23Å; E112-C115 WeakPolarHBondContact O-CB 3.25Å; E112-C115 PolarHBondContact O-N 3.04Å; E112-C115 VanDerWaalsContact O-N 3.14Å; F113-C115 VanDerWaalsContact C-N 3.28Å; F113-C115 PolarHBondContact O-N 3.32Å; C115-L117 PolarHBondContact O-N 3.49Å; C115-Y118 PolarHBondContact O-N 3.45Å; C115-G119 PolarHBondContact O-N 2.99Å; C115-G119 VanDerWaalsContact O-N 3.11Å; C115-L181 VanDerWaalsContact O-CD2 3.26Å; C115-L181 WeakPolarHBondContact O-CD2 3.48Å; C115-V183 HydrophobicContact CB-CG2 3.77Å; C115-C194 WeakPolarHBondContact CA-SG 3.49Å; C115-C194 HydrophobicContact CB-CB 3.87Å; C115-C194 WeakPolarHBondContact CB-SG 3.45Å; C115-C194 VanDerWaalsContact SG-CA 3.54Å; C115-C194 WeakPolarHBondContact SG-CB 3.45Å; C115-C194 CovalentContact SG-SG 2.03Å; C115-C194 PolarHBondContact SG-SG 2.65Å |
| 116 | M | 94.9 | Very high | 93.1 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.7 | -63.1 | 179.9 | -146.3 | 0 | 0 | 111.7 | E112 F113 G119 V120 A178 R198 | E112-M116 HydrophobicContact CB-CE 4.25Å; E112-M116 HydrophobicContact CG-CE 3.53Å; E112-M116 WeakPolarHBondContact O-CG 3.3Å; E112-M116 PolarHBondContact O-N 3.15Å; F113-M116 PolarHBondContact O-N 2.89Å; M116-G119 PolarHBondContact O-N 3.28Å; M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.44Å; M116-V120 VanDerWaalsContact O-N 3.1Å; M116-A178 HydrophobicContact CB-CB 4.14Å; M116-A178 WeakPolarHBondContact CG-O 3.47Å; M116-A178 VanDerWaalsContact SD-O 3.38Å; M116-R198 VanDerWaalsContact CE-NH2 3.28Å |
| 117 | L | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 29% | 0.293 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 178.8 | 179.9 | 61.6 | 0 | 0 | 0 | 111.5 | F113 F114 C115 G119 V120 L121 | F113-L117 HydrophobicContact CE1-CD2 4.09Å; F113-L117 HydrophobicContact CZ-CD2 4.45Å; F113-L117 WeakPolarHBondContact O-CB 3.41Å; F113-L117 PolarHBondContact O-N 2.84Å; F114-L117 HydrophobicContact CD1-CD2 4.29Å; F114-L117 PolarHBondContact O-N 2.89Å; C115-L117 PolarHBondContact O-N 3.49Å; L117-G119 PolarHBondContact O-N 2.88Å; L117-V120 PolarHBondContact O-N 3.46Å; L117-L121 HydrophobicContact CD1-CD1 4.09Å; L117-L121 HydrophobicContact CD1-CD2 4.36Å; L117-L121 HydrophobicContact CD1-CG 3.98Å; L117-L121 HydrophobicContact CD2-CD1 4.48Å; L117-L121 HydrophobicContact CG-CD1 3.89Å; L117-L121 HydrophobicContact CG-CG 4.2Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.25Å; L117-L121 PolarHBondContact O-N 3.3Å |
| 118 | Y | 94.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 177.4 | 169.7 | -118.4 | 0 | 0 | 0 | 111.5 | T96 F99 W108 F114 C115 V120 L121 R122 | T96-Y118 HydrophobicContact CG2-CD2 4.08Å; T96-Y118 HydrophobicContact CG2-CE2 4.44Å; F99-Y118 HydrophobicContact CB-CD2 4.05Å; F99-Y118 HydrophobicContact CB-CE2 4.25Å; W108-Y118 AromaticContact CH2-CD1 3.86Å; W108-Y118 HydrophobicContact CH2-CD1 3.86Å; W108-Y118 AromaticContact CH2-CG 3.88Å; W108-Y118 HydrophobicContact CH2-CG 3.88Å; W108-Y118 AromaticContact CZ3-CD1 3.79Å; W108-Y118 HydrophobicContact CZ3-CD1 3.79Å; W108-Y118 HydrophobicContact CZ3-CE1 4.13Å; W108-Y118 HydrophobicContact CZ3-CG 4.17Å; F114-Y118 WeakPolarHBondContact O-CB 3.32Å; F114-Y118 PolarHBondContact O-N 3.02Å; C115-Y118 PolarHBondContact O-N 3.45Å; Y118-V120 PolarHBondContact O-N 3.36Å; Y118-L121 PolarHBondContact O-N 3.42Å; Y118-R122 VanDerWaalsContact O-CB 3.28Å; Y118-R122 WeakPolarHBondContact O-CB 3.42Å; Y118-R122 PolarHBondContact O-N 2.92Å |
| 119 | G | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C115 M116 L117 R122 N123 | C115-G119 PolarHBondContact O-N 2.99Å; C115-G119 VanDerWaalsContact O-N 3.11Å; M116-G119 PolarHBondContact O-N 3.28Å; L117-G119 PolarHBondContact O-N 2.88Å; G119-R122 PolarHBondContact O-N 2.94Å; G119-N123 WeakPolarHBondContact O-CB 3.22Å; G119-N123 PolarHBondContact O-N 3.22Å; G119-N123 VanDerWaalsContact O-N 3.12Å |
| 120 | V | 95.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | M116 L117 Y118 R122 N123 M124 F171 A178 | M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.44Å; M116-V120 VanDerWaalsContact O-N 3.1Å; L117-V120 PolarHBondContact O-N 3.46Å; Y118-V120 PolarHBondContact O-N 3.36Å; V120-R122 PolarHBondContact O-N 3.1Å; V120-N123 PolarHBondContact O-N 3.45Å; V120-M124 WeakPolarHBondContact O-CB 3.28Å; V120-M124 PolarHBondContact O-N 3.4Å; V120-F171 HydrophobicContact CG1-CE2 4.41Å; V120-A178 HydrophobicContact CG2-CB 3.75Å |
| 121 | L | 96 | Very high | 93.6 | Very high | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.141 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | -179.9 | -68 | 179.2 | 0 | 0 | 0 | 111.7 | I92 F95 T96 L117 Y118 N123 M124 Y125 | I92-L121 HydrophobicContact CG2-CB 3.82Å; I92-L121 HydrophobicContact CG2-CD2 3.83Å; I92-L121 HydrophobicContact CG2-CG 4.3Å; F95-L121 HydrophobicContact CD1-CD1 3.8Å; F95-L121 HydrophobicContact CE1-CD1 3.97Å; T96-L121 HydrophobicContact CG2-CB 3.69Å; T96-L121 HydrophobicContact CG2-CD1 4.29Å; L117-L121 HydrophobicContact CD1-CD1 4.09Å; L117-L121 HydrophobicContact CD1-CD2 4.36Å; L117-L121 HydrophobicContact CD1-CG 3.98Å; L117-L121 HydrophobicContact CD2-CD1 4.48Å; L117-L121 HydrophobicContact CG-CD1 3.89Å; L117-L121 HydrophobicContact CG-CG 4.2Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.25Å; L117-L121 PolarHBondContact O-N 3.3Å; Y118-L121 PolarHBondContact O-N 3.42Å; L121-N123 PolarHBondContact O-N 2.87Å; L121-M124 PolarHBondContact O-N 2.98Å; L121-Y125 WeakPolarHBondContact O-CD1 3.46Å; L121-Y125 PolarHBondContact O-N 3.14Å |
| 122 | R | 92 | Very high | 93.6 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 21% | 0.208 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 178.5 | -172.1 | 170.9 | 72.3 | -142.3 | 1.6 | 111.5 | Y118 G119 V120 Y125 L126 | Y118-R122 VanDerWaalsContact O-CB 3.28Å; Y118-R122 WeakPolarHBondContact O-CB 3.42Å; Y118-R122 PolarHBondContact O-N 2.92Å; G119-R122 PolarHBondContact O-N 2.94Å; V120-R122 PolarHBondContact O-N 3.1Å; R122-Y125 VanDerWaalsContact CA-CD1 3.47Å; R122-Y125 VanDerWaalsContact CA-CE1 3.45Å; R122-Y125 HydrophobicContact CB-CE1 4.11Å; R122-Y125 HydrophobicContact CG-CE1 3.73Å; R122-Y125 WeakPolarHBondContact O-CD1 3.34Å; R122-Y125 WeakPolarHBondContact O-CE1 3.29Å; R122-L126 WeakPolarHBondContact O-CG 3.06Å; R122-L126 PolarHBondContact O-N 2.89Å |
| 123 | N | 93.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | 178.6 | -157.5 | 77.1 | 0 | 0 | 0 | 112.1 | G119 V120 L121 L126 L127 S174 N177 N210 H214 | G119-N123 WeakPolarHBondContact O-CB 3.22Å; G119-N123 PolarHBondContact O-N 3.22Å; G119-N123 VanDerWaalsContact O-N 3.12Å; V120-N123 PolarHBondContact O-N 3.45Å; L121-N123 PolarHBondContact O-N 2.87Å; N123-L126 PolarHBondContact O-N 3.35Å; N123-L127 WeakPolarHBondContact O-CG 3.49Å; N123-L127 PolarHBondContact O-N 3.09Å; N123-L127 VanDerWaalsContact O-N 3.17Å; N123-S174 WeakPolarHBondContact CB-OG 3.19Å; N123-S174 WeakPolarHBondContact ND2-CA 3.17Å; N123-S174 PolarHBondContact ND2-OG 3.4Å; N123-N177 WeakPolarHBondContact CB-ND2 3.34Å; N123-N177 PolarHBondContact OD1-ND2 3.07Å; N123-N210 VanDerWaalsContact OD1-CG 3.31Å; N123-N210 PolarHBondContact OD1-ND2 3.38Å; N123-N210 PolarHBondContact OD1-OD1 3.49Å; N123-H214 PolarHBondContact OD1-CE1 3.01Å; N123-H214 PolarHBondContact OD1-NE2 3.15Å; N123-H214 VanDerWaalsContact OD1-NE2 3.11Å |
| 124 | M | 94.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 21 Ų | 21 | 10% | 0.099 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | -178 | -171.2 | -178.4 | -171.4 | 0 | 0 | 112.3 | I92 V120 L121 L126 C128 W167 F171 S174 | I92-M124 HydrophobicContact CD1-SD 4.29Å; V120-M124 WeakPolarHBondContact O-CB 3.28Å; V120-M124 PolarHBondContact O-N 3.4Å; L121-M124 PolarHBondContact O-N 2.98Å; M124-L126 VanDerWaalsContact C-N 3.33Å; M124-L126 PolarHBondContact O-N 3.09Å; M124-C128 WeakPolarHBondContact O-CB 3.14Å; M124-C128 PolarHBondContact O-N 2.76Å; M124-C128 PolarHBondContact O-SG 3.41Å; M124-C128 VanDerWaalsContact O-SG 3.37Å; M124-W167 HydrophobicContact CE-CD2 4.41Å; M124-W167 HydrophobicContact CE-CE3 3.17Å; M124-W167 HydrophobicContact CE-CZ3 3.33Å; M124-W167 HydrophobicContact SD-CZ3 4.25Å; M124-F171 HydrophobicContact CE-CB 4.18Å; M124-F171 HydrophobicContact CE-CD2 4.41Å; M124-F171 HydrophobicContact SD-CD2 4.45Å; M124-S174 WeakPolarHBondContact CA-OG 3.28Å; M124-S174 PolarHBondContact N-OG 2.88Å; M124-S174 VanDerWaalsContact N-OG 3.08Å |
| 125 | Y | 93.5 | Very high | 93 | Very high | 16 Ų | 16 | 18.6 Ų | 18.6 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 179.3 | 84.7 | -109.1 | 0 | 0 | 0 | 111.6 | L93 L121 R122 G129 W263 | L93-Y125 HydrophobicContact CB-CD1 3.96Å; L93-Y125 HydrophobicContact CB-CD2 3.83Å; L93-Y125 HydrophobicContact CB-CE1 4.34Å; L93-Y125 HydrophobicContact CB-CE2 4.26Å; L93-Y125 HydrophobicContact CB-CG 3.74Å; L93-Y125 HydrophobicContact CD1-CD1 4.15Å; L93-Y125 HydrophobicContact CD1-CD2 4.31Å; L93-Y125 HydrophobicContact CD1-CE1 3.65Å; L93-Y125 HydrophobicContact CD1-CE2 3.87Å; L93-Y125 HydrophobicContact CD2-CD2 4.06Å; L93-Y125 HydrophobicContact CD2-CE2 3.89Å; L93-Y125 HydrophobicContact CG-CD2 4.29Å; L93-Y125 HydrophobicContact CG-CE2 4.23Å; L121-Y125 WeakPolarHBondContact O-CD1 3.46Å; L121-Y125 PolarHBondContact O-N 3.14Å; R122-Y125 VanDerWaalsContact CA-CD1 3.47Å; R122-Y125 VanDerWaalsContact CA-CE1 3.45Å; R122-Y125 HydrophobicContact CB-CE1 4.11Å; R122-Y125 HydrophobicContact CG-CE1 3.73Å; R122-Y125 WeakPolarHBondContact O-CD1 3.34Å; R122-Y125 WeakPolarHBondContact O-CE1 3.29Å; Y125-G129 PolarHBondContact O-N 3.19Å; Y125-W263 AromaticContact CE2-CH2 3.89Å; Y125-W263 HydrophobicContact CE2-CH2 3.89Å; Y125-W263 HydrophobicContact CE2-CZ2 4.35Å |
| 126 | L | 90.7 | Very high | 92.7 | Very high | 33 Ų | 33 | 19.3 Ų | 19.3 | 17% | 0.173 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -50.6 | -180 | -74 | 169 | 0 | 0 | 0 | 111.4 | R122 N123 M124 S130 H214 W263 | R122-L126 WeakPolarHBondContact O-CG 3.06Å; R122-L126 PolarHBondContact O-N 2.89Å; N123-L126 PolarHBondContact O-N 3.35Å; M124-L126 VanDerWaalsContact C-N 3.33Å; M124-L126 PolarHBondContact O-N 3.09Å; L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 2.93Å; L126-S130 VanDerWaalsContact O-N 3.14Å; L126-S130 PolarHBondContact O-OG 3.25Å; L126-H214 WeakPolarHBondContact CD1-NE2 3.4Å; L126-W263 HydrophobicContact CD2-CE3 4.28Å; L126-W263 HydrophobicContact CD2-CH2 3.35Å; L126-W263 HydrophobicContact CD2-CZ2 4.23Å; L126-W263 HydrophobicContact CD2-CZ3 3.37Å |
| 127 | L | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 178.9 | -64.8 | 176.3 | 0 | 0 | 0 | 111.1 | N123 S130 F131 C170 L173 L213 T217 | N123-L127 WeakPolarHBondContact O-CG 3.49Å; N123-L127 PolarHBondContact O-N 3.09Å; N123-L127 VanDerWaalsContact O-N 3.17Å; L127-S130 PolarHBondContact O-N 2.91Å; L127-F131 HydrophobicContact CB-CE2 4.49Å; L127-F131 WeakPolarHBondContact O-CD2 3.33Å; L127-F131 PolarHBondContact O-N 3.16Å; L127-F131 VanDerWaalsContact O-N 3.09Å; L127-C170 HydrophobicContact CB-CB 3.99Å; L127-C170 VanDerWaalsContact CB-SG 3.54Å; L127-L173 HydrophobicContact CD1-CB 3.71Å; L127-L173 HydrophobicContact CD1-CD1 4.13Å; L127-L213 HydrophobicContact CD2-CG 4.47Å; L127-T217 HydrophobicContact CD2-CG2 3.92Å |
| 128 | C | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 179.7 | -78.8 | 0 | 0 | 0 | 0 | 111.5 | A89 M124 S130 F131 L132 L166 C170 | A89-C128 HydrophobicContact CB-CB 4.09Å; M124-C128 WeakPolarHBondContact O-CB 3.14Å; M124-C128 PolarHBondContact O-N 2.76Å; M124-C128 PolarHBondContact O-SG 3.41Å; M124-C128 VanDerWaalsContact O-SG 3.37Å; C128-S130 PolarHBondContact O-N 3.32Å; C128-F131 PolarHBondContact O-N 2.97Å; C128-L132 HydrophobicContact CB-CD1 4.41Å; C128-L132 WeakPolarHBondContact O-CB 3.46Å; C128-L132 WeakPolarHBondContact O-CD1 3.4Å; C128-L132 WeakPolarHBondContact O-CG 3.5Å; C128-L132 PolarHBondContact O-N 2.92Å; C128-L166 HydrophobicContact CB-CD2 4.33Å; C128-C170 WeakPolarHBondContact SG-CB 3.38Å |
| 129 | G | 91.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 12% | 0.124 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y125 L132 L133 | Y125-G129 PolarHBondContact O-N 3.19Å; G129-L132 PolarHBondContact O-N 3.33Å; G129-L133 WeakPolarHBondContact O-CB 3.46Å; G129-L133 WeakPolarHBondContact O-CG 3.22Å; G129-L133 PolarHBondContact O-N 2.89Å |
| 130 | S | 91 | Very high | 90.8 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 11% | 0.105 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -52.2 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | L126 L127 C128 L132 L133 A134 S221 | L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 2.93Å; L126-S130 VanDerWaalsContact O-N 3.14Å; L126-S130 PolarHBondContact O-OG 3.25Å; L127-S130 PolarHBondContact O-N 2.91Å; C128-S130 PolarHBondContact O-N 3.32Å; S130-L132 PolarHBondContact O-N 3.23Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-A134 PolarHBondContact O-N 3.48Å; S130-A134 VanDerWaalsContact O-N 3.09Å; S130-S221 PolarHBondContact O-OG 3.31Å |
| 131 | F | 93.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 22.2 Ų | 22.2 | 21% | 0.206 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67 | -36.2 | -179.9 | -68.9 | -49 | 0 | 0 | 0 | 112.8 | L127 C128 A134 C135 L166 T217 F220 | L127-F131 HydrophobicContact CB-CE2 4.49Å; L127-F131 WeakPolarHBondContact O-CD2 3.33Å; L127-F131 PolarHBondContact O-N 3.16Å; L127-F131 VanDerWaalsContact O-N 3.09Å; C128-F131 PolarHBondContact O-N 2.97Å; F131-A134 PolarHBondContact O-N 3.26Å; F131-C135 WeakPolarHBondContact O-CB 3.41Å; F131-C135 PolarHBondContact O-N 3.24Å; F131-C135 PolarHBondContact O-SG 3.13Å; F131-L166 HydrophobicContact CB-CD1 3.53Å; F131-L166 HydrophobicContact CB-CD2 4.15Å; F131-L166 HydrophobicContact CB-CG 3.88Å; F131-L166 HydrophobicContact CD2-CG 4.49Å; F131-T217 HydrophobicContact CD1-CG2 4.24Å; F131-T217 HydrophobicContact CD2-CG2 4.44Å; F131-T217 HydrophobicContact CE1-CG2 3.73Å; F131-T217 HydrophobicContact CE2-CG2 3.95Å; F131-T217 HydrophobicContact CZ-CG2 3.56Å; F131-F220 HydrophobicContact CE1-CD1 4.26Å; F131-F220 HydrophobicContact CE1-CE1 4.46Å |
| 132 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.7 | -74.9 | 167.2 | 0 | 0 | 0 | 111.5 | Y82 H85 L86 A89 C128 G129 S130 C135 I136 L166 | Y82-L132 HydrophobicContact CD1-CD2 4.21Å; H85-L132 HydrophobicContact CB-CD1 4.03Å; H85-L132 HydrophobicContact CB-CD2 3.87Å; L86-L132 HydrophobicContact CD1-CB 4.34Å; A89-L132 HydrophobicContact CB-CD1 4.33Å; C128-L132 HydrophobicContact CB-CD1 4.41Å; C128-L132 WeakPolarHBondContact O-CB 3.46Å; C128-L132 WeakPolarHBondContact O-CD1 3.4Å; C128-L132 WeakPolarHBondContact O-CG 3.5Å; C128-L132 PolarHBondContact O-N 2.92Å; G129-L132 PolarHBondContact O-N 3.33Å; S130-L132 PolarHBondContact O-N 3.23Å; L132-C135 WeakPolarHBondContact O-CB 3.31Å; L132-C135 PolarHBondContact O-N 3.42Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 3.47Å; L132-L166 HydrophobicContact CD2-CD1 4.18Å; L132-L166 HydrophobicContact CG-CD1 4.27Å; L132-L166 HydrophobicContact CG-CD2 4.34Å |
| 133 | L | 88.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.5 | -75.2 | 171.2 | 0 | 0 | 0 | 112.2 | L86 G129 S130 C135 I136 G137 M225 V255 F259 | L86-L133 HydrophobicContact CD1-CG 4.35Å; L86-L133 HydrophobicContact CD2-CD2 4.03Å; G129-L133 WeakPolarHBondContact O-CB 3.46Å; G129-L133 WeakPolarHBondContact O-CG 3.22Å; G129-L133 PolarHBondContact O-N 2.89Å; S130-L133 PolarHBondContact O-N 3.43Å; L133-C135 PolarHBondContact O-N 2.96Å; L133-I136 PolarHBondContact O-N 3.38Å; L133-G137 PolarHBondContact O-N 3.27Å; L133-M225 HydrophobicContact CB-SD 3.91Å; L133-V255 HydrophobicContact CD2-CG1 3.71Å; L133-F259 HydrophobicContact CD1-CB 4.34Å; L133-F259 HydrophobicContact CD1-CD2 3.18Å; L133-F259 HydrophobicContact CD1-CE2 3.54Å; L133-F259 HydrophobicContact CD1-CG 3.9Å; L133-F259 HydrophobicContact CD1-CZ 4.47Å |
| 134 | A | 90.6 | Very high | 88.1 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 7% | 0.066 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S130 F131 I136 G137 F138 V224 | S130-A134 PolarHBondContact O-N 3.48Å; S130-A134 VanDerWaalsContact O-N 3.09Å; F131-A134 PolarHBondContact O-N 3.26Å; A134-I136 VanDerWaalsContact C-N 3.34Å; A134-I136 PolarHBondContact O-N 3.12Å; A134-G137 PolarHBondContact O-N 2.83Å; A134-F138 WeakPolarHBondContact O-CB 3.3Å; A134-F138 PolarHBondContact O-N 3.21Å; A134-V224 HydrophobicContact CB-CB 4.37Å; A134-V224 HydrophobicContact CB-CG1 4.2Å |
| 135 | C | 90.7 | Very high | 87.2 | Confident | 32 Ų | 32 | 22.8 Ų | 22.8 | 22% | 0.216 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 176.3 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | Y82 F131 L132 L133 F138 D139 | Y82-C135 HydrophobicContact CD1-CB 4.13Å; Y82-C135 HydrophobicContact CE1-CB 3.66Å; F131-C135 WeakPolarHBondContact O-CB 3.41Å; F131-C135 PolarHBondContact O-N 3.24Å; F131-C135 PolarHBondContact O-SG 3.13Å; L132-C135 WeakPolarHBondContact O-CB 3.31Å; L132-C135 PolarHBondContact O-N 3.42Å; L133-C135 PolarHBondContact O-N 2.96Å; C135-F138 PolarHBondContact O-N 3.06Å; C135-D139 VanDerWaalsContact O-CB 3.25Å; C135-D139 WeakPolarHBondContact O-CB 3.38Å; C135-D139 PolarHBondContact O-N 3.42Å |
| 136 | I | 88.3 | Confident | 86.4 | Confident | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 175.2 | -70.4 | 163 | 0 | 0 | 0 | 109.9 | Y82 L83 L86 L132 L133 A134 F138 D139 R140 | Y82-I136 VanDerWaalsContact CB-CG1 3.49Å; Y82-I136 HydrophobicContact CD2-CG1 4.48Å; Y82-I136 HydrophobicContact CG-CG1 4.03Å; L83-I136 HydrophobicContact CD2-CD1 4.4Å; L86-I136 HydrophobicContact CD2-CD1 4.03Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 3.47Å; L133-I136 PolarHBondContact O-N 3.38Å; A134-I136 VanDerWaalsContact C-N 3.34Å; A134-I136 PolarHBondContact O-N 3.12Å; I136-F138 PolarHBondContact O-N 2.92Å; I136-D139 PolarHBondContact O-N 3.07Å; I136-R140 VanDerWaalsContact O-CG 3.32Å; I136-R140 WeakPolarHBondContact O-CG 3.4Å; I136-R140 PolarHBondContact O-N 3.43Å |
| 137 | G | 85.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L133 A134 R140 Y141 Y229 | L133-G137 PolarHBondContact O-N 3.27Å; A134-G137 PolarHBondContact O-N 2.83Å; G137-R140 PolarHBondContact O-N 2.93Å; G137-Y141 PolarHBondContact O-N 3.43Å; G137-Y229 WeakPolarHBondContact CA-OH 3.27Å |
| 138 | F | 87.4 | Confident | 84 | Confident | 97 Ų | 97 | 30.3 Ų | 30.3 | 43% | 0.425 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.5 | -171.8 | -112.4 | 0 | 0 | 0 | 112.9 | A134 C135 I136 R140 Y141 L142 | A134-F138 WeakPolarHBondContact O-CB 3.3Å; A134-F138 PolarHBondContact O-N 3.21Å; C135-F138 PolarHBondContact O-N 3.06Å; I136-F138 PolarHBondContact O-N 2.92Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.28Å; F138-Y141 HydrophobicContact CD2-CD1 4.2Å; F138-Y141 HydrophobicContact CE2-CD1 4.17Å; F138-Y141 HydrophobicContact CE2-CE1 4.39Å; F138-Y141 WeakPolarHBondContact O-CB 3.38Å; F138-Y141 PolarHBondContact O-N 3.45Å; F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CD1-CG 4.42Å; F138-L142 HydrophobicContact CE1-CD1 3.48Å; F138-L142 VanDerWaalsContact CE1-CD1 3.48Å; F138-L142 HydrophobicContact CE1-CG 4.09Å; F138-L142 HydrophobicContact CE2-CD2 4.46Å; F138-L142 HydrophobicContact CE2-CG 4.44Å; F138-L142 HydrophobicContact CZ-CD1 3.87Å; F138-L142 HydrophobicContact CZ-CD2 4.13Å; F138-L142 HydrophobicContact CZ-CG 4.09Å; F138-L142 WeakPolarHBondContact O-CG 3.39Å; F138-L142 PolarHBondContact O-N 3.47Å |
| 139 | D | 85.1 | Confident | 82 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.9 | 174.2 | 80.9 | 0 | 0 | 0 | 111.8 | I78 Y82 C135 I136 L142 A143 | I78-D139 WeakPolarHBondContact CG2-OD1 3.48Å; Y82-D139 HydrophobicContact CD2-CB 4.49Å; Y82-D139 HydrophobicContact CE2-CB 3.92Å; C135-D139 VanDerWaalsContact O-CB 3.25Å; C135-D139 WeakPolarHBondContact O-CB 3.38Å; C135-D139 PolarHBondContact O-N 3.42Å; I136-D139 PolarHBondContact O-N 3.07Å; D139-L142 PolarHBondContact O-N 3.18Å; D139-A143 WeakPolarHBondContact O-CB 3.46Å; D139-A143 PolarHBondContact O-N 3.08Å |
| 140 | R | 80.8 | Confident | 80.1 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176 | -66.1 | -59 | 80.6 | -161.9 | -4.5 | 111.9 | I136 G137 F138 A143 I144 L232 | I136-R140 VanDerWaalsContact O-CG 3.32Å; I136-R140 WeakPolarHBondContact O-CG 3.4Å; I136-R140 PolarHBondContact O-N 3.43Å; G137-R140 PolarHBondContact O-N 2.93Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.28Å; R140-A143 PolarHBondContact O-N 2.91Å; R140-I144 WeakPolarHBondContact O-CB 3.2Å; R140-I144 WeakPolarHBondContact O-CG1 3.45Å; R140-I144 PolarHBondContact O-N 3.49Å; R140-I144 VanDerWaalsContact O-N 3.1Å; R140-L232 HydrophobicContact CB-CD1 4.02Å |
| 141 | Y | 83.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 9% | 0.09 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -53.1 | 175.4 | 165.9 | -100.4 | 0 | 0 | 0 | 111.9 | G137 F138 A143 I144 V145 H146 Y227 C228 A231 | G137-Y141 PolarHBondContact O-N 3.43Å; F138-Y141 HydrophobicContact CD2-CD1 4.2Å; F138-Y141 HydrophobicContact CE2-CD1 4.17Å; F138-Y141 HydrophobicContact CE2-CE1 4.39Å; F138-Y141 WeakPolarHBondContact O-CB 3.38Å; F138-Y141 PolarHBondContact O-N 3.45Å; Y141-A143 VanDerWaalsContact C-N 3.35Å; Y141-A143 PolarHBondContact O-N 2.91Å; Y141-I144 PolarHBondContact O-N 3.39Å; Y141-V145 HydrophobicContact CD2-CB 4Å; Y141-V145 HydrophobicContact CD2-CG1 4.47Å; Y141-V145 HydrophobicContact CD2-CG2 3.63Å; Y141-V145 HydrophobicContact CE2-CB 4.06Å; Y141-V145 HydrophobicContact CE2-CG1 4.04Å; Y141-V145 HydrophobicContact CE2-CG2 4.01Å; Y141-V145 HydrophobicContact CG-CG2 4.48Å; Y141-V145 VanDerWaalsContact O-CB 3.3Å; Y141-V145 WeakPolarHBondContact O-CB 3.27Å; Y141-V145 PolarHBondContact O-N 2.99Å; Y141-H146 AromaticContact CE1-CE1 3.75Å; Y141-H146 AromaticContact CE1-ND1 3.68Å; Y141-H146 AromaticContact CZ-CE1 3.48Å; Y141-H146 VanDerWaalsContact CZ-CE1 3.48Å; Y141-H146 AromaticContact CZ-ND1 3.72Å; Y141-H146 PolarHBondContact OH-CE1 2.94Å; Y141-Y227 HydrophobicContact CE2-CE1 4.17Å; Y141-Y227 AromaticContact CZ-CE1 3.96Å; Y141-Y227 PolarHBondContact OH-OH 3.43Å; Y141-C228 HydrophobicContact CG-CB 4.41Å; Y141-A231 HydrophobicContact CD2-CB 3.82Å; Y141-A231 HydrophobicContact CE2-CB 3.54Å |
| 142 | L | 82.3 | Confident | 76.4 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | -179.8 | -67.7 | 179.9 | 0 | 0 | 0 | 112.4 | F138 D139 I144 A147 I148 M151 | F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CD1-CG 4.42Å; F138-L142 HydrophobicContact CE1-CD1 3.48Å; F138-L142 VanDerWaalsContact CE1-CD1 3.48Å; F138-L142 HydrophobicContact CE1-CG 4.09Å; F138-L142 HydrophobicContact CE2-CD2 4.46Å; F138-L142 HydrophobicContact CE2-CG 4.44Å; F138-L142 HydrophobicContact CZ-CD1 3.87Å; F138-L142 HydrophobicContact CZ-CD2 4.13Å; F138-L142 HydrophobicContact CZ-CG 4.09Å; F138-L142 WeakPolarHBondContact O-CG 3.39Å; F138-L142 PolarHBondContact O-N 3.47Å; D139-L142 PolarHBondContact O-N 3.18Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 3.38Å; L142-A147 PolarHBondContact O-N 3.45Å; L142-I148 HydrophobicContact CB-CD1 4.33Å; L142-I148 HydrophobicContact CD2-CD1 3.99Å; L142-M151 HydrophobicContact CB-CG 4.17Å; L142-M151 HydrophobicContact CB-SD 3.48Å; L142-M151 WeakPolarHBondContact CB-SD 3.39Å; L142-M151 HydrophobicContact CD1-SD 3.54Å; L142-M151 VanDerWaalsContact CD1-SD 3.54Å; L142-M151 HydrophobicContact CG-SD 4.17Å |
| 143 | A | 77.9 | Confident | 74.5 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.2 | -30.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D139 R140 Y141 | D139-A143 WeakPolarHBondContact O-CB 3.46Å; D139-A143 PolarHBondContact O-N 3.08Å; R140-A143 PolarHBondContact O-N 2.91Å; Y141-A143 VanDerWaalsContact C-N 3.35Å; Y141-A143 PolarHBondContact O-N 2.91Å |
| 144 | I | 75.3 | Confident | 73.3 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -104.6 | -48.2 | -172.8 | -63.6 | 170.1 | 0 | 0 | 0 | 112 | R140 Y141 L142 L232 I249 | R140-I144 WeakPolarHBondContact O-CB 3.2Å; R140-I144 WeakPolarHBondContact O-CG1 3.45Å; R140-I144 PolarHBondContact O-N 3.49Å; R140-I144 VanDerWaalsContact O-N 3.1Å; Y141-I144 PolarHBondContact O-N 3.39Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 3.38Å; I144-L232 HydrophobicContact CB-CD2 3.47Å; I144-L232 VanDerWaalsContact CB-CD2 3.47Å; I144-L232 HydrophobicContact CD1-CD2 3.71Å; I144-L232 HydrophobicContact CG1-CD2 4.12Å; I144-L232 HydrophobicContact CG2-CD2 3.65Å; I144-I249 HydrophobicContact CD1-CD1 4.42Å; I144-I249 HydrophobicContact CD1-CG1 4.01Å |
| 145 | V | 76.5 | Confident | 72.5 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -53.1 | -174.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | Y141 A147 L232 | Y141-V145 HydrophobicContact CD2-CB 4Å; Y141-V145 HydrophobicContact CD2-CG1 4.47Å; Y141-V145 HydrophobicContact CD2-CG2 3.63Å; Y141-V145 HydrophobicContact CE2-CB 4.06Å; Y141-V145 HydrophobicContact CE2-CG1 4.04Å; Y141-V145 HydrophobicContact CE2-CG2 4.01Å; Y141-V145 HydrophobicContact CG-CG2 4.48Å; Y141-V145 VanDerWaalsContact O-CB 3.3Å; Y141-V145 WeakPolarHBondContact O-CB 3.27Å; Y141-V145 PolarHBondContact O-N 2.99Å; V145-A147 VanDerWaalsContact C-N 3.31Å; V145-L232 HydrophobicContact CG2-CD2 3.86Å; V145-L232 HydrophobicContact CG2-CG 4.22Å |
| 146 | H | 75.2 | Confident | 72 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -86.3 | -8.4 | -179.3 | -72.1 | 82.8 | 0 | 0 | 0 | 112.8 | Y141 I148 | Y141-H146 AromaticContact CE1-CE1 3.75Å; Y141-H146 AromaticContact CE1-ND1 3.68Å; Y141-H146 AromaticContact CZ-CE1 3.48Å; Y141-H146 VanDerWaalsContact CZ-CE1 3.48Å; Y141-H146 AromaticContact CZ-ND1 3.72Å; Y141-H146 PolarHBondContact OH-CE1 2.94Å; H146-I148 HydrophobicContact CB-CD1 3.81Å; H146-I148 HydrophobicContact CB-CG1 3.38Å; H146-I148 PolarHBondContact O-N 3.22Å |
| 147 | A | 70.6 | Confident | 71.9 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | trans | 42.8 | 34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L142 V145 P149 | L142-A147 PolarHBondContact O-N 3.45Å; V145-A147 VanDerWaalsContact C-N 3.31Å; A147-P149 WeakPolarHBondContact O-CD 3.4Å; A147-P149 VanDerWaalsContact O-N 3.08Å | ||
| 148 | I | 63.3 | Low | 71.9 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | trans | -64.2 | 116.4 | -163.6 | -50.3 | 177.3 | 0 | 0 | 0 | 107.9 | L142 H146 S150 M151 | L142-I148 HydrophobicContact CB-CD1 4.33Å; L142-I148 HydrophobicContact CD2-CD1 3.99Å; H146-I148 HydrophobicContact CB-CD1 3.81Å; H146-I148 HydrophobicContact CB-CG1 3.38Å; H146-I148 PolarHBondContact O-N 3.22Å; I148-S150 WeakPolarHBondContact CG2-OG 3.32Å; I148-S150 PolarHBondContact O-N 2.88Å; I148-S150 VanDerWaalsContact O-N 3.14Å; I148-M151 HydrophobicContact CB-CB 4.22Å; I148-M151 HydrophobicContact CB-CG 3.62Å; I148-M151 HydrophobicContact CD1-CG 4.07Å; I148-M151 HydrophobicContact CG1-CG 4.21Å; I148-M151 HydrophobicContact CG2-CG 4.22Å; I148-M151 VanDerWaalsContact O-CB 3.31Å; I148-M151 WeakPolarHBondContact O-CB 3.46Å; I148-M151 PolarHBondContact O-N 3.47Å | ||
| 149 | P | 52.7 | Low | 72 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.4 | -30.3 | -178.4 | -24.7 | 34.6 | 0 | 0 | 0 | 112.2 | A147 M151 Q152 S153 | A147-P149 WeakPolarHBondContact O-CD 3.4Å; A147-P149 VanDerWaalsContact O-N 3.08Å; P149-M151 VanDerWaalsContact C-N 3.29Å; P149-M151 PolarHBondContact O-N 3.38Å; P149-Q152 PolarHBondContact O-N 3.5Å; P149-S153 PolarHBondContact O-N 2.91Å |
| 150 | S | 52 | Low | 72.2 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.3 | -20.2 | 174.2 | 76.1 | 0 | 0 | 0 | 0 | 114 | I148 S153 R154 | I148-S150 WeakPolarHBondContact CG2-OG 3.32Å; I148-S150 PolarHBondContact O-N 2.88Å; I148-S150 VanDerWaalsContact O-N 3.14Å; S150-S153 CarbonylContact O-C 3.5Å; S150-S153 VanDerWaalsContact O-C 3.3Å; S150-S153 WeakPolarHBondContact O-CA 3.41Å; S150-S153 PolarHBondContact O-N 2.97Å; S150-S153 VanDerWaalsContact O-N 3.12Å; S150-R154 PolarHBondContact O-N 3.46Å |
| 151 | M | 52.7 | Low | 72.7 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 5% | 0.054 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.6 | -30.4 | 172.8 | -69.3 | -96.8 | 50.3 | 0 | 0 | 111.8 | I78 L142 I148 P149 S153 R154 | I78-M151 VanDerWaalsContact CD1-O 3.27Å; I78-M151 WeakPolarHBondContact CD1-O 3.48Å; L142-M151 HydrophobicContact CB-CG 4.17Å; L142-M151 HydrophobicContact CB-SD 3.48Å; L142-M151 WeakPolarHBondContact CB-SD 3.39Å; L142-M151 HydrophobicContact CD1-SD 3.54Å; L142-M151 VanDerWaalsContact CD1-SD 3.54Å; L142-M151 HydrophobicContact CG-SD 4.17Å; I148-M151 HydrophobicContact CB-CB 4.22Å; I148-M151 HydrophobicContact CB-CG 3.62Å; I148-M151 HydrophobicContact CD1-CG 4.07Å; I148-M151 HydrophobicContact CG1-CG 4.21Å; I148-M151 HydrophobicContact CG2-CG 4.22Å; I148-M151 VanDerWaalsContact O-CB 3.31Å; I148-M151 WeakPolarHBondContact O-CB 3.46Å; I148-M151 PolarHBondContact O-N 3.47Å; P149-M151 VanDerWaalsContact C-N 3.29Å; P149-M151 PolarHBondContact O-N 3.38Å; M151-S153 PolarHBondContact O-N 3.43Å; M151-R154 HydrophobicContact CE-CB 4.36Å; M151-R154 HydrophobicContact CE-CG 3.67Å |
| 152 | Q | 52.7 | Low | 73.1 | Confident | 180 Ų | 180 | 81.3 Ų | 81.3 | 84% | 0.841 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.8 | -20.4 | 168.1 | -67.6 | 175.7 | -14.1 | 0 | 0 | 112 | P149 | P149-Q152 PolarHBondContact O-N 3.5Å |
| 153 | S | 52.5 | Low | 73.7 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 65% | 0.65 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 2.7 | -177.9 | -166.1 | 0 | 0 | 0 | 0 | 114.1 | P149 S150 M151 R155 | P149-S153 PolarHBondContact O-N 2.91Å; S150-S153 CarbonylContact O-C 3.5Å; S150-S153 VanDerWaalsContact O-C 3.3Å; S150-S153 WeakPolarHBondContact O-CA 3.41Å; S150-S153 PolarHBondContact O-N 2.97Å; S150-S153 VanDerWaalsContact O-N 3.12Å; M151-S153 PolarHBondContact O-N 3.43Å; S153-R155 PolarHBondContact O-N 3.37Å; S153-R155 VanDerWaalsContact O-N 3.11Å |
| 154 | R | 63.9 | Low | 74.5 | Confident | 90 Ų | 90 | 81.2 Ų | 81.2 | 34% | 0.34 | 42% | 0.42 | S | S | . | . | trans | -61.6 | 121.3 | 174.4 | -93.1 | -157.3 | -169.3 | 179.9 | 7.7 | 108.6 | I78 S150 M151 P156 | I78-R154 HydrophobicContact CD1-CB 3.77Å; S150-R154 PolarHBondContact O-N 3.46Å; M151-R154 HydrophobicContact CE-CB 4.36Å; M151-R154 HydrophobicContact CE-CG 3.67Å; R154-P156 WeakPolarHBondContact O-CD 3.15Å | ||
| 155 | R | 73.4 | Confident | 75.4 | Confident | 187 Ų | 187 | 82.9 Ų | 82.9 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | trans | -61.3 | 128.2 | 173.8 | -65.6 | -172.9 | -179 | -171.8 | -0.4 | 108.6 | S153 K157 R158 | S153-R155 PolarHBondContact O-N 3.37Å; S153-R155 VanDerWaalsContact O-N 3.11Å; R155-K157 PolarHBondContact O-N 3.47Å; R155-R158 PolarHBondContact O-N 2.91Å | ||
| 156 | P | 81.7 | Confident | 76.3 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -43.3 | -34.2 | 173.6 | -35.5 | 38.4 | 0 | 0 | 0 | 114.1 | I81 R154 R158 V159 H160 | I81-P156 HydrophobicContact CD1-CB 3.77Å; R154-P156 WeakPolarHBondContact O-CD 3.15Å; P156-R158 VanDerWaalsContact C-N 3.31Å; P156-R158 PolarHBondContact O-N 3.25Å; P156-V159 PolarHBondContact O-N 2.88Å; P156-V159 VanDerWaalsContact O-N 3.12Å; P156-H160 PolarHBondContact O-CD2 3.45Å; P156-H160 VanDerWaalsContact O-CD2 3.32Å; P156-H160 PolarHBondContact O-N 3.02Å |
| 157 | K | 84.4 | Confident | 77.4 | Confident | 169 Ų | 169 | 78.9 Ų | 78.9 | 74% | 0.735 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -52.2 | -40.9 | 174.2 | -63.7 | -170.8 | 177.2 | -171.9 | 0 | 114.1 | R155 L161 | R155-K157 PolarHBondContact O-N 3.47Å; K157-L161 WeakPolarHBondContact O-CB 3.18Å; K157-L161 PolarHBondContact O-N 3.49Å |
| 158 | R | 86.8 | Confident | 78.6 | Confident | 168 Ų | 168 | 81.1 Ų | 81.1 | 63% | 0.634 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.3 | -38.3 | 179.5 | -72 | -173.9 | 176.4 | -178 | -1 | 111.7 | R155 P156 L161 T162 | R155-R158 PolarHBondContact O-N 2.91Å; P156-R158 VanDerWaalsContact C-N 3.31Å; P156-R158 PolarHBondContact O-N 3.25Å; R158-L161 PolarHBondContact O-N 3.27Å; R158-T162 PolarHBondContact O-N 2.82Å; R158-T162 PolarHBondContact O-OG1 3.45Å; R158-T162 VanDerWaalsContact O-OG1 3.06Å |
| 159 | V | 88.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 178.7 | -179 | 0 | 0 | 0 | 0 | 110.1 | I78 I81 Y82 P156 L161 T162 C163 | I78-V159 HydrophobicContact CB-CG2 4.42Å; I78-V159 HydrophobicContact CG1-CG2 4.12Å; I78-V159 HydrophobicContact CG2-CG1 4.27Å; I78-V159 HydrophobicContact CG2-CG2 3.75Å; I81-V159 HydrophobicContact CB-CG1 4.13Å; I81-V159 HydrophobicContact CD1-CB 4.35Å; I81-V159 HydrophobicContact CD1-CG1 4.47Å; I81-V159 HydrophobicContact CG2-CB 4.47Å; I81-V159 HydrophobicContact CG2-CG1 3.79Å; Y82-V159 HydrophobicContact CD1-CG1 4.45Å; Y82-V159 HydrophobicContact CD2-CG1 4.32Å; Y82-V159 HydrophobicContact CE1-CG1 4.02Å; Y82-V159 HydrophobicContact CE2-CG1 3.9Å; P156-V159 PolarHBondContact O-N 2.88Å; P156-V159 VanDerWaalsContact O-N 3.12Å; V159-L161 VanDerWaalsContact C-N 3.26Å; V159-L161 PolarHBondContact O-N 2.97Å; V159-T162 PolarHBondContact O-N 3.47Å; V159-T162 VanDerWaalsContact O-N 3.16Å; V159-C163 PolarHBondContact O-N 2.87Å; V159-C163 PolarHBondContact O-SG 3.34Å; V159-C163 VanDerWaalsContact O-SG 3.42Å |
| 160 | H | 89.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 172.3 | -77.3 | -62.2 | 0 | 0 | 0 | 112.4 | I81 H85 P156 C163 A164 | I81-H160 VanDerWaalsContact CG2-CE1 3.45Å; I81-H160 WeakPolarHBondContact CG2-CE1 3.37Å; H85-H160 AromaticContact NE2-ND1 3.55Å; P156-H160 PolarHBondContact O-CD2 3.45Å; P156-H160 VanDerWaalsContact O-CD2 3.32Å; P156-H160 PolarHBondContact O-N 3.02Å; H160-C163 PolarHBondContact O-N 3.35Å; H160-A164 VanDerWaalsContact O-CB 3.28Å; H160-A164 WeakPolarHBondContact O-CB 3.33Å; H160-A164 PolarHBondContact O-N 3.16Å |
| 161 | L | 91.3 | Very high | 84.3 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 175.2 | -174.9 | 63.1 | 0 | 0 | 0 | 111.8 | K157 R158 V159 A164 S165 | K157-L161 WeakPolarHBondContact O-CB 3.18Å; K157-L161 PolarHBondContact O-N 3.49Å; R158-L161 PolarHBondContact O-N 3.27Å; V159-L161 VanDerWaalsContact C-N 3.26Å; V159-L161 PolarHBondContact O-N 2.97Å; L161-A164 PolarHBondContact O-N 3.14Å; L161-S165 PolarHBondContact O-N 3.05Å; L161-S165 PolarHBondContact O-OG 2.95Å |
| 162 | T | 91.6 | Very high | 86.4 | Confident | 53 Ų | 53 | 82.9 Ų | 82.9 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | R158 V159 S165 L166 | R158-T162 PolarHBondContact O-N 2.82Å; R158-T162 PolarHBondContact O-OG1 3.45Å; R158-T162 VanDerWaalsContact O-OG1 3.06Å; V159-T162 PolarHBondContact O-N 3.47Å; V159-T162 VanDerWaalsContact O-N 3.16Å; T162-S165 WeakPolarHBondContact CA-OG 3.5Å; T162-S165 PolarHBondContact O-N 3.39Å; T162-S165 PolarHBondContact O-OG 2.9Å; T162-L166 WeakPolarHBondContact O-CB 3.34Å; T162-L166 PolarHBondContact O-N 3.27Å |
| 163 | C | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | H85 V159 H160 S165 L166 W167 | H85-C163 VanDerWaalsContact CD2-CB 3.48Å; H85-C163 WeakPolarHBondContact CD2-CB 3.37Å; H85-C163 PolarHBondContact CD2-SG 3.28Å; H85-C163 WeakPolarHBondContact NE2-CB 3.33Å; V159-C163 PolarHBondContact O-N 2.87Å; V159-C163 PolarHBondContact O-SG 3.34Å; V159-C163 VanDerWaalsContact O-SG 3.42Å; H160-C163 PolarHBondContact O-N 3.35Å; C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 3.41Å; C163-L166 WeakPolarHBondContact O-CA 3.21Å; C163-L166 WeakPolarHBondContact O-CB 3.46Å; C163-L166 PolarHBondContact O-N 2.97Å; C163-W167 PolarHBondContact O-N 3.42Å |
| 164 | A | 94.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | H160 L161 W167 L168 | H160-A164 VanDerWaalsContact O-CB 3.28Å; H160-A164 WeakPolarHBondContact O-CB 3.33Å; H160-A164 PolarHBondContact O-N 3.16Å; L161-A164 PolarHBondContact O-N 3.14Å; A164-W167 PolarHBondContact O-N 3.39Å; A164-L168 WeakPolarHBondContact O-CB 3.49Å; A164-L168 PolarHBondContact O-N 3.11Å |
| 165 | S | 95.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 71.8 Ų | 71.8 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.2 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | L161 T162 C163 L168 I169 | L161-S165 PolarHBondContact O-N 3.05Å; L161-S165 PolarHBondContact O-OG 2.95Å; T162-S165 WeakPolarHBondContact CA-OG 3.5Å; T162-S165 PolarHBondContact O-N 3.39Å; T162-S165 PolarHBondContact O-OG 2.9Å; C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 3.41Å; S165-L168 PolarHBondContact O-N 3.28Å; S165-I169 WeakPolarHBondContact O-CD1 3.46Å; S165-I169 VanDerWaalsContact O-CG1 3.25Å; S165-I169 WeakPolarHBondContact O-CG1 3.41Å; S165-I169 PolarHBondContact O-N 3.45Å |
| 166 | L | 95.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.2 | -177.3 | 167.3 | 0 | 0 | 0 | 110.2 | C128 F131 L132 T162 C163 L168 I169 C170 | C128-L166 HydrophobicContact CB-CD2 4.33Å; F131-L166 HydrophobicContact CB-CD1 3.53Å; F131-L166 HydrophobicContact CB-CD2 4.15Å; F131-L166 HydrophobicContact CB-CG 3.88Å; F131-L166 HydrophobicContact CD2-CG 4.49Å; L132-L166 HydrophobicContact CD2-CD1 4.18Å; L132-L166 HydrophobicContact CG-CD1 4.27Å; L132-L166 HydrophobicContact CG-CD2 4.34Å; T162-L166 WeakPolarHBondContact O-CB 3.34Å; T162-L166 PolarHBondContact O-N 3.27Å; C163-L166 WeakPolarHBondContact O-CA 3.21Å; C163-L166 WeakPolarHBondContact O-CB 3.46Å; C163-L166 PolarHBondContact O-N 2.97Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 3.44Å; L166-I169 PolarHBondContact O-N 3.04Å; L166-C170 WeakPolarHBondContact O-CB 3.44Å; L166-C170 PolarHBondContact O-N 3.39Å; L166-C170 PolarHBondContact O-SG 3.01Å |
| 167 | W | 96.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.5 | -44.1 | 174.7 | -84.9 | 88.4 | 0 | 0 | 0 | 111.8 | H85 L88 A89 I92 M124 C163 A164 F171 | H85-W167 AromaticContact CG-NE1 3.86Å; H85-W167 AromaticContact ND1-CD1 3.64Å; H85-W167 AromaticContact ND1-NE1 3.15Å; H85-W167 PolarHBondContact ND1-NE1 3.49Å; H85-W167 VanDerWaalsContact ND1-NE1 3.15Å; L88-W167 HydrophobicContact CB-CH2 4.47Å; L88-W167 HydrophobicContact CB-CZ2 4.16Å; A89-W167 HydrophobicContact CB-CH2 4.26Å; A89-W167 HydrophobicContact CB-CZ2 4.13Å; I92-W167 HydrophobicContact CD1-CH2 3.48Å; I92-W167 VanDerWaalsContact CD1-CH2 3.48Å; I92-W167 HydrophobicContact CD1-CZ3 3.44Å; I92-W167 VanDerWaalsContact CD1-CZ3 3.44Å; M124-W167 HydrophobicContact CE-CD2 4.41Å; M124-W167 HydrophobicContact CE-CE3 3.17Å; M124-W167 HydrophobicContact CE-CZ3 3.33Å; M124-W167 HydrophobicContact SD-CZ3 4.25Å; C163-W167 PolarHBondContact O-N 3.42Å; A164-W167 PolarHBondContact O-N 3.39Å; W167-F171 VanDerWaalsContact O-CB 3.3Å; W167-F171 WeakPolarHBondContact O-CB 3.34Å; W167-F171 PolarHBondContact O-N 3.44Å |
| 168 | L | 96.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 54.9 Ų | 54.9 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 176.7 | -179.4 | 62.7 | 0 | 0 | 0 | 112.1 | A164 S165 L166 F171 L172 | A164-L168 WeakPolarHBondContact O-CB 3.49Å; A164-L168 PolarHBondContact O-N 3.11Å; S165-L168 PolarHBondContact O-N 3.28Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 3.44Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.41Å; L168-L172 HydrophobicContact CD1-CD1 4.28Å; L168-L172 HydrophobicContact CD1-CG 4.28Å; L168-L172 HydrophobicContact CG-CD1 4.12Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.35Å; L168-L172 PolarHBondContact O-N 3.09Å |
| 169 | I | 95.7 | Very high | 93.6 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 177.9 | -69.8 | 163.4 | 0 | 0 | 0 | 110.3 | S165 L166 F171 L172 L173 | S165-I169 WeakPolarHBondContact O-CD1 3.46Å; S165-I169 VanDerWaalsContact O-CG1 3.25Å; S165-I169 WeakPolarHBondContact O-CG1 3.41Å; S165-I169 PolarHBondContact O-N 3.45Å; L166-I169 PolarHBondContact O-N 3.04Å; I169-F171 VanDerWaalsContact C-N 3.33Å; I169-F171 PolarHBondContact O-N 2.91Å; I169-L172 PolarHBondContact O-N 3.09Å; I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.43Å; I169-L173 WeakPolarHBondContact O-CG 3.4Å; I169-L173 PolarHBondContact O-N 3.09Å |
| 170 | C | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 112 | L127 C128 L166 L173 S174 | L127-C170 HydrophobicContact CB-CB 3.99Å; L127-C170 VanDerWaalsContact CB-SG 3.54Å; C128-C170 WeakPolarHBondContact SG-CB 3.38Å; L166-C170 WeakPolarHBondContact O-CB 3.44Å; L166-C170 PolarHBondContact O-N 3.39Å; L166-C170 PolarHBondContact O-SG 3.01Å; C170-L173 PolarHBondContact O-N 2.89Å; C170-S174 WeakPolarHBondContact O-CB 3.42Å; C170-S174 PolarHBondContact O-N 3.5Å; C170-S174 PolarHBondContact O-OG 3.27Å |
| 171 | F | 96 | Very high | 93.7 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 175.4 | 178.6 | -107.3 | 0 | 0 | 0 | 111.5 | V120 M124 W167 L168 I169 L173 S174 L175 | V120-F171 HydrophobicContact CG1-CE2 4.41Å; M124-F171 HydrophobicContact CE-CB 4.18Å; M124-F171 HydrophobicContact CE-CD2 4.41Å; M124-F171 HydrophobicContact SD-CD2 4.45Å; W167-F171 VanDerWaalsContact O-CB 3.3Å; W167-F171 WeakPolarHBondContact O-CB 3.34Å; W167-F171 PolarHBondContact O-N 3.44Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.41Å; I169-F171 VanDerWaalsContact C-N 3.33Å; I169-F171 PolarHBondContact O-N 2.91Å; F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 3.26Å; F171-S174 WeakPolarHBondContact O-CB 3.3Å; F171-S174 PolarHBondContact O-N 2.96Å; F171-L175 HydrophobicContact CD1-CD1 4.47Å; F171-L175 HydrophobicContact CD1-CG 4.41Å; F171-L175 HydrophobicContact CE1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD2 3.85Å; F171-L175 HydrophobicContact CE1-CG 4.09Å; F171-L175 HydrophobicContact CE2-CD2 4.1Å; F171-L175 HydrophobicContact CZ-CD2 3.59Å; F171-L175 HydrophobicContact CZ-CG 4.29Å; F171-L175 PolarHBondContact O-N 2.99Å |
| 172 | L | 95.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 179.8 | -68.9 | 171.9 | 0 | 0 | 0 | 112.1 | L168 I169 S174 L175 | L168-L172 HydrophobicContact CD1-CD1 4.28Å; L168-L172 HydrophobicContact CD1-CG 4.28Å; L168-L172 HydrophobicContact CG-CD1 4.12Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.35Å; L168-L172 PolarHBondContact O-N 3.09Å; I169-L172 PolarHBondContact O-N 3.09Å; L172-S174 PolarHBondContact O-N 2.76Å; L172-L175 HydrophobicContact CD2-CD1 3.98Å; L172-L175 PolarHBondContact O-N 3.44Å |
| 173 | L | 93.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.1 | -25.3 | 175.5 | -69.8 | 174 | 0 | 0 | 0 | 112.8 | L127 I169 C170 F171 P176 L213 | L127-L173 HydrophobicContact CD1-CB 3.71Å; L127-L173 HydrophobicContact CD1-CD1 4.13Å; I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.43Å; I169-L173 WeakPolarHBondContact O-CG 3.4Å; I169-L173 PolarHBondContact O-N 3.09Å; C170-L173 PolarHBondContact O-N 2.89Å; F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 3.26Å; L173-P176 WeakPolarHBondContact O-CD 3.32Å; L173-L213 HydrophobicContact CB-CD2 4.44Å; L173-L213 HydrophobicContact CD1-CD2 4.46Å; L173-L213 HydrophobicContact CD2-CD2 4.35Å |
| 174 | S | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -85.1 | -21.6 | 177.9 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | N123 M124 C170 F171 L172 N177 | N123-S174 WeakPolarHBondContact CB-OG 3.19Å; N123-S174 WeakPolarHBondContact ND2-CA 3.17Å; N123-S174 PolarHBondContact ND2-OG 3.4Å; M124-S174 WeakPolarHBondContact CA-OG 3.28Å; M124-S174 PolarHBondContact N-OG 2.88Å; M124-S174 VanDerWaalsContact N-OG 3.08Å; C170-S174 WeakPolarHBondContact O-CB 3.42Å; C170-S174 PolarHBondContact O-N 3.5Å; C170-S174 PolarHBondContact O-OG 3.27Å; F171-S174 WeakPolarHBondContact O-CB 3.3Å; F171-S174 PolarHBondContact O-N 2.96Å; L172-S174 PolarHBondContact O-N 2.76Å; S174-N177 WeakPolarHBondContact O-CB 3.21Å; S174-N177 PolarHBondContact O-N 3.13Å; S174-N177 VanDerWaalsContact O-N 3.11Å; S174-N177 PolarHBondContact O-ND2 3.18Å |
| 175 | L | 93.9 | Very high | 92.5 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -38.8 | -177.3 | -78.2 | 178.7 | 0 | 0 | 0 | 115 | F171 L172 N177 A178 | F171-L175 HydrophobicContact CD1-CD1 4.47Å; F171-L175 HydrophobicContact CD1-CG 4.41Å; F171-L175 HydrophobicContact CE1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD2 3.85Å; F171-L175 HydrophobicContact CE1-CG 4.09Å; F171-L175 HydrophobicContact CE2-CD2 4.1Å; F171-L175 HydrophobicContact CZ-CD2 3.59Å; F171-L175 HydrophobicContact CZ-CG 4.29Å; F171-L175 PolarHBondContact O-N 2.99Å; L172-L175 HydrophobicContact CD2-CD1 3.98Å; L172-L175 PolarHBondContact O-N 3.44Å; L175-N177 PolarHBondContact O-N 2.96Å; L175-N177 VanDerWaalsContact O-N 3.14Å; L175-A178 WeakPolarHBondContact O-CB 3.46Å; L175-A178 PolarHBondContact O-N 3.4Å |
| 176 | P | 92.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -21.5 | -178.6 | -19.6 | 32.4 | 0 | 0 | 0 | 112.7 | L173 A178 V179 F180 W206 | L173-P176 WeakPolarHBondContact O-CD 3.32Å; P176-A178 PolarHBondContact O-N 3.48Å; P176-V179 WeakPolarHBondContact O-CA 3.37Å; P176-V179 WeakPolarHBondContact O-CB 3.42Å; P176-V179 PolarHBondContact O-N 2.99Å; P176-F180 HydrophobicContact CB-CD2 4.18Å; P176-F180 HydrophobicContact CB-CE2 4.01Å; P176-F180 WeakPolarHBondContact O-CD2 3.36Å; P176-F180 PolarHBondContact O-N 2.84Å; P176-F180 VanDerWaalsContact O-N 3.08Å; P176-W206 HydrophobicContact CB-CD2 3.98Å; P176-W206 HydrophobicContact CB-CE3 3.96Å; P176-W206 HydrophobicContact CB-CH2 3.51Å; P176-W206 HydrophobicContact CB-CZ2 3.51Å; P176-W206 HydrophobicContact CB-CZ3 3.72Å; P176-W206 HydrophobicContact CG-CH2 3.43Å; P176-W206 VanDerWaalsContact CG-CH2 3.43Å; P176-W206 HydrophobicContact CG-CZ2 3.86Å; P176-W206 HydrophobicContact CG-CZ3 3.79Å |
| 177 | N | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -34.5 | 171.2 | -66.5 | -59.6 | 0 | 0 | 0 | 112.3 | N123 S174 L175 V179 F180 L181 Y196 W206 | N123-N177 WeakPolarHBondContact CB-ND2 3.34Å; N123-N177 PolarHBondContact OD1-ND2 3.07Å; S174-N177 WeakPolarHBondContact O-CB 3.21Å; S174-N177 PolarHBondContact O-N 3.13Å; S174-N177 VanDerWaalsContact O-N 3.11Å; S174-N177 PolarHBondContact O-ND2 3.18Å; L175-N177 PolarHBondContact O-N 2.96Å; L175-N177 VanDerWaalsContact O-N 3.14Å; N177-V179 PolarHBondContact O-N 3.45Å; N177-F180 PolarHBondContact O-N 3.3Å; N177-L181 HydrophobicContact CB-CD1 4.08Å; N177-L181 WeakPolarHBondContact O-CB 3.3Å; N177-L181 VanDerWaalsContact O-CD1 3.27Å; N177-L181 WeakPolarHBondContact O-CD1 3.24Å; N177-L181 PolarHBondContact O-N 3.2Å; N177-Y196 VanDerWaalsContact OD1-CE1 3.26Å; N177-Y196 WeakPolarHBondContact OD1-CE1 3.47Å; N177-Y196 PolarHBondContact OD1-OH 3.2Å; N177-W206 PolarHBondContact OD1-NE1 2.8Å |
| 178 | A | 92.1 | Very high | 87.8 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.2 | -24.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M116 V120 L175 P176 R198 | M116-A178 HydrophobicContact CB-CB 4.14Å; M116-A178 WeakPolarHBondContact CG-O 3.47Å; M116-A178 VanDerWaalsContact SD-O 3.38Å; V120-A178 HydrophobicContact CG2-CB 3.75Å; L175-A178 WeakPolarHBondContact O-CB 3.46Å; L175-A178 PolarHBondContact O-N 3.4Å; P176-A178 PolarHBondContact O-N 3.48Å; A178-R198 PolarHBondContact O-NH1 3.15Å |
| 179 | V | 90.3 | Very high | 86.2 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.6 | -38.1 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | P176 N177 R198 Y199 | P176-V179 WeakPolarHBondContact O-CA 3.37Å; P176-V179 WeakPolarHBondContact O-CB 3.42Å; P176-V179 PolarHBondContact O-N 2.99Å; N177-V179 PolarHBondContact O-N 3.45Å; V179-R198 WeakPolarHBondContact O-CD 3.36Å; V179-Y199 HydrophobicContact CG1-CE2 4.04Å |
| 180 | F | 90.1 | Very high | 85.2 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -95.9 | -23.4 | -172 | -64.4 | -66.9 | 0 | 0 | 0 | 114.9 | P176 N177 Y196 Y197 R198 Y199 N202 A203 W206 | P176-F180 HydrophobicContact CB-CD2 4.18Å; P176-F180 HydrophobicContact CB-CE2 4.01Å; P176-F180 WeakPolarHBondContact O-CD2 3.36Å; P176-F180 PolarHBondContact O-N 2.84Å; P176-F180 VanDerWaalsContact O-N 3.08Å; N177-F180 PolarHBondContact O-N 3.3Å; F180-Y196 HydrophobicContact CB-CD1 3.98Å; F180-Y197 PolarHBondContact O-N 3.43Å; F180-R198 VanDerWaalsContact O-CB 3.29Å; F180-R198 WeakPolarHBondContact O-CB 3.31Å; F180-R198 PolarHBondContact O-N 3.19Å; F180-R198 VanDerWaalsContact O-N 3.12Å; F180-Y199 HydrophobicContact CD1-CD2 4.41Å; F180-Y199 HydrophobicContact CE1-CD2 4.45Å; F180-N202 HydrophobicContact CE1-CB 3.93Å; F180-A203 HydrophobicContact CB-CB 4.4Å; F180-A203 HydrophobicContact CD1-CB 4.15Å; F180-W206 HydrophobicContact CB-CG 4.47Å; F180-W206 HydrophobicContact CD1-CB 4.4Å; F180-W206 HydrophobicContact CD2-CB 3.54Å; F180-W206 AromaticContact CD2-CD1 3.34Å; F180-W206 AromaticContact CD2-CD2 3.74Å; F180-W206 HydrophobicContact CD2-CD2 3.74Å; F180-W206 AromaticContact CD2-CG 3.19Å; F180-W206 HydrophobicContact CD2-CG 3.19Å; F180-W206 AromaticContact CD2-NE1 3.92Å; F180-W206 HydrophobicContact CE1-CB 4.45Å; F180-W206 HydrophobicContact CE2-CB 3.59Å; F180-W206 AromaticContact CE2-CD2 3.77Å; F180-W206 HydrophobicContact CE2-CD2 3.77Å; F180-W206 HydrophobicContact CE2-CE3 4.12Å; F180-W206 AromaticContact CE2-CG 3.5Å; F180-W206 HydrophobicContact CE2-CG 3.5Å; F180-W206 VanDerWaalsContact CE2-CG 3.5Å; F180-W206 HydrophobicContact CG-CB 3.98Å; F180-W206 AromaticContact CG-CD1 3.89Å; F180-W206 AromaticContact CG-CG 3.94Å; F180-W206 HydrophobicContact CG-CG 3.94Å; F180-W206 HydrophobicContact CZ-CB 4.07Å; F180-W206 HydrophobicContact CZ-CG 4.43Å |
| 181 | L | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -76.1 | 138.9 | 174.8 | -90.2 | 72 | 0 | 0 | 0 | 111.4 | C115 N177 Y196 | C115-L181 VanDerWaalsContact O-CD2 3.26Å; C115-L181 WeakPolarHBondContact O-CD2 3.48Å; N177-L181 HydrophobicContact CB-CD1 4.08Å; N177-L181 WeakPolarHBondContact O-CB 3.3Å; N177-L181 VanDerWaalsContact O-CD1 3.27Å; N177-L181 WeakPolarHBondContact O-CD1 3.24Å; N177-L181 PolarHBondContact O-N 3.2Å; L181-Y196 HydrophobicContact CD1-CD1 3.47Å; L181-Y196 VanDerWaalsContact CD1-CD1 3.47Å; L181-Y196 HydrophobicContact CD1-CD2 4.15Å; L181-Y196 HydrophobicContact CD1-CE1 3.14Å; L181-Y196 HydrophobicContact CD1-CE2 3.89Å; L181-Y196 HydrophobicContact CD1-CG 3.96Å; L181-Y196 HydrophobicContact CG-CE1 4.47Å | ||
| 182 | S | 90.8 | Very high | 84.2 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.1 | 173.5 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | D195 | S182-D195 PolarHBondContact N-O 3.2Å; S182-D195 PolarHBondContact O-N 3.12Å; S182-D195 VanDerWaalsContact O-O 3.09Å |
| 183 | V | 90.9 | Very high | 83.8 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.7 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 109 | W108 C115 L192 E193 | W108-V183 VanDerWaalsContact CD1-CG2 3.41Å; W108-V183 HydrophobicContact CG-CG2 4.34Å; C115-V183 HydrophobicContact CB-CG2 3.77Å; V183-L192 HydrophobicContact CG1-CB 3.93Å; V183-L192 HydrophobicContact CG1-CD1 4.19Å; V183-L192 HydrophobicContact CG1-CD2 4.26Å; V183-L192 HydrophobicContact CG1-CG 4.36Å; V183-E193 WeakPolarHBondContact CA-O 3.48Å |
| 184 | K | 85.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 32% | 0.317 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.8 | 177.4 | -162.6 | -166.7 | -177 | 177.9 | 0 | 110.6 | L192 E193 Y197 | K184-L192 CarbonylContact O-C 3.59Å; K184-L192 WeakPolarHBondContact O-CA 3.49Å; K184-E193 PolarHBondContact N-O 3.34Å; K184-E193 PolarHBondContact O-N 2.93Å; K184-Y197 HydrophobicContact CD-CD1 3.65Å; K184-Y197 HydrophobicContact CD-CD2 3.91Å; K184-Y197 HydrophobicContact CD-CE1 3.85Å; K184-Y197 HydrophobicContact CD-CE2 4.17Å; K184-Y197 HydrophobicContact CD-CG 3.69Å; K184-Y197 HydrophobicContact CG-CD1 4.15Å; K184-Y197 HydrophobicContact CG-CE1 4.4Å |
| 185 | S | 79.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.2 | 167.5 | -158.4 | 0 | 0 | 0 | 0 | 109.9 | D189 | S185-D189 PolarHBondContact OG-O 3.29Å |
| 186 | E | 71.1 | Confident | 82.6 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | trans | -65.7 | 141.1 | 166.2 | -166.4 | 169.2 | -165.5 | 0 | 0 | 109.5 | N188 D189 L191 | E186-N188 PolarHBondContact O-N 3.07Å; E186-D189 HydrophobicContact CB-CB 4.12Å; E186-D189 PolarHBondContact O-N 3.48Å; E186-D189 VanDerWaalsContact O-O 3.11Å; E186-L191 PolarHBondContact N-O 3.2Å | ||
| 187 | K | 58.6 | Low | 82 | Confident | 194 Ų | 194 | 68.4 Ų | 68.4 | 84% | 0.843 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.4 | -167.1 | -84.9 | -178.8 | 176.5 | 177.5 | 0 | 114.7 | ||
| 188 | N | 58.2 | Low | 81.2 | Confident | 168 Ų | 168 | 71.4 Ų | 71.4 | 90% | 0.898 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 2.9 | -179.3 | -74.3 | -16.7 | 0 | 0 | 0 | 113.7 | E186 | E186-N188 PolarHBondContact O-N 3.07Š|
| 189 | D | 62.9 | Low | 80.4 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | trans | -125.8 | 146.1 | -176.1 | -139.7 | -21.4 | 0 | 0 | 0 | 111.3 | S185 E186 L191 | S185-D189 PolarHBondContact OG-O 3.29Å; E186-D189 HydrophobicContact CB-CB 4.12Å; E186-D189 PolarHBondContact O-N 3.48Å; E186-D189 VanDerWaalsContact O-O 3.11Å; D189-L191 PolarHBondContact O-N 3.27Å | ||
| 190 | S | 75 | Confident | 79.9 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 80% | 0.797 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -75.9 | -4.2 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 191 | L | 82.3 | Confident | 79.3 | Confident | 71 Ų | 71 | 83.3 Ų | 83.3 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | trans | -78.4 | 132.2 | 179.6 | -70.7 | 164 | 0 | 0 | 0 | 110.8 | A106 E186 D189 | A106-L191 VanDerWaalsContact C-CD2 3.43Å; A106-L191 WeakPolarHBondContact O-CD2 3.49Å; E186-L191 PolarHBondContact N-O 3.2Å; D189-L191 PolarHBondContact O-N 3.27Å | ||
| 192 | L | 88.6 | Confident | 78.9 | Confident | 71 Ų | 71 | 88 Ų | 88 | 37% | 0.372 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 145.3 | 172.1 | -62.6 | 175.2 | 0 | 0 | 0 | 109.3 | G107 W108 V183 K184 | G107-L192 CarbonylContact C-O 3.6Å; G107-L192 WeakPolarHBondContact CA-O 3.48Å; W108-L192 HydrophobicContact CB-CB 4.3Å; W108-L192 PolarHBondContact N-O 3.03Å; V183-L192 HydrophobicContact CG1-CB 3.93Å; V183-L192 HydrophobicContact CG1-CD1 4.19Å; V183-L192 HydrophobicContact CG1-CD2 4.26Å; V183-L192 HydrophobicContact CG1-CG 4.36Å; K184-L192 CarbonylContact O-C 3.59Å; K184-L192 WeakPolarHBondContact O-CA 3.49Å |
| 193 | E | 87.4 | Confident | 78.5 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.4 | 175.3 | -171 | -179.6 | -174.2 | 0 | 0 | 110.1 | V183 K184 D195 | V183-E193 WeakPolarHBondContact CA-O 3.48Å; K184-E193 PolarHBondContact N-O 3.34Å; K184-E193 PolarHBondContact O-N 2.93Å; E193-D195 HydrophobicContact CG-CB 4.24Å |
| 194 | C | 89.8 | Confident | 78.1 | Confident | 8 Ų | 8 | 92.2 Ų | 92.2 | 5% | 0.054 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 93 | 171 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | E103 W108 C115 | E103-C194 WeakPolarHBondContact OE1-CB 3.37Å; E103-C194 PolarHBondContact OE1-N 3.32Å; W108-C194 HydrophobicContact CB-CB 4.29Å; W108-C194 HydrophobicContact CD2-CB 3.42Å; W108-C194 VanDerWaalsContact CD2-CB 3.42Å; W108-C194 HydrophobicContact CE3-CB 3.45Å; W108-C194 VanDerWaalsContact CE3-CB 3.45Å; W108-C194 HydrophobicContact CG-CB 3.77Å; W108-C194 HydrophobicContact CZ3-CB 4.01Å; C115-C194 WeakPolarHBondContact CA-SG 3.49Å; C115-C194 HydrophobicContact CB-CB 3.87Å; C115-C194 WeakPolarHBondContact CB-SG 3.45Å; C115-C194 VanDerWaalsContact SG-CA 3.54Å; C115-C194 WeakPolarHBondContact SG-CB 3.45Å; C115-C194 CovalentContact SG-SG 2.03Å; C115-C194 PolarHBondContact SG-SG 2.65Å |
| 195 | D | 86.4 | Confident | 78.1 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 40% | 0.401 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 166.8 | -175.4 | -163.3 | 21.1 | 0 | 0 | 0 | 113.6 | S182 E193 Y197 | S182-D195 PolarHBondContact N-O 3.2Å; S182-D195 PolarHBondContact O-N 3.12Å; S182-D195 VanDerWaalsContact O-O 3.09Å; E193-D195 HydrophobicContact CG-CB 4.24Å; D195-Y197 PolarHBondContact O-N 3.06Å |
| 196 | Y | 83.3 | Confident | 78.6 | Confident | 34 Ų | 34 | 92.5 Ų | 92.5 | 13% | 0.133 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -72.6 | 71.4 | 178.7 | -68 | -92.8 | 0 | 0 | 0 | 111.4 | N177 F180 L181 A203 W206 V207 | N177-Y196 VanDerWaalsContact OD1-CE1 3.26Å; N177-Y196 WeakPolarHBondContact OD1-CE1 3.47Å; N177-Y196 PolarHBondContact OD1-OH 3.2Å; F180-Y196 HydrophobicContact CB-CD1 3.98Å; L181-Y196 HydrophobicContact CD1-CD1 3.47Å; L181-Y196 VanDerWaalsContact CD1-CD1 3.47Å; L181-Y196 HydrophobicContact CD1-CD2 4.15Å; L181-Y196 HydrophobicContact CD1-CE1 3.14Å; L181-Y196 HydrophobicContact CD1-CE2 3.89Å; L181-Y196 HydrophobicContact CD1-CG 3.96Å; L181-Y196 HydrophobicContact CG-CE1 4.47Å; Y196-A203 VanDerWaalsContact O-CB 3.31Å; Y196-A203 WeakPolarHBondContact O-CB 3.38Å; Y196-W206 AromaticContact CD1-CD1 3.88Å; Y196-W206 AromaticContact CE1-CD1 3.6Å; Y196-W206 AromaticContact CE1-NE1 3.75Å; Y196-V207 HydrophobicContact CD1-CG2 3.5Å; Y196-V207 VanDerWaalsContact CD1-CG2 3.5Å; Y196-V207 HydrophobicContact CD2-CG2 3.56Å; Y196-V207 HydrophobicContact CE1-CG2 4.08Å; Y196-V207 HydrophobicContact CE2-CG2 4.13Å; Y196-V207 HydrophobicContact CG-CG2 3.2Å |
| 197 | Y | 78.6 | Confident | 79.4 | Confident | 94 Ų | 94 | 87.9 Ų | 87.9 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | trans | -104.9 | -21.7 | -178.8 | -175.1 | -114 | 0 | 0 | 0 | 113.8 | F180 K184 D195 Y199 E200 | F180-Y197 PolarHBondContact O-N 3.43Å; K184-Y197 HydrophobicContact CD-CD1 3.65Å; K184-Y197 HydrophobicContact CD-CD2 3.91Å; K184-Y197 HydrophobicContact CD-CE1 3.85Å; K184-Y197 HydrophobicContact CD-CE2 4.17Å; K184-Y197 HydrophobicContact CD-CG 3.69Å; K184-Y197 HydrophobicContact CG-CD1 4.15Å; K184-Y197 HydrophobicContact CG-CE1 4.4Å; D195-Y197 PolarHBondContact O-N 3.06Å; Y197-Y199 PolarHBondContact O-N 3.38Å; Y197-E200 HydrophobicContact CE2-CG 4.27Å; Y197-E200 PolarHBondContact O-N 3.28Å; Y197-E200 VanDerWaalsContact O-N 3.16Å; Y197-E200 PolarHBondContact OH-OE1 3.24Å | ||
| 198 | R | 73.1 | Confident | 80.8 | Confident | 64 Ų | 64 | 82 Ų | 82 | 24% | 0.242 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 120 | -168 | -156.6 | -179.8 | -117.4 | 173.5 | -5.9 | 110.8 | E112 M116 A178 V179 F180 A203 | E112-R198 IonicContact OE1-CZ 3.51Å; E112-R198 IonicContact OE1-NH2 2.58Å; E112-R198 PolarHBondContact OE1-NH2 3.38Å; M116-R198 VanDerWaalsContact CE-NH2 3.28Å; A178-R198 PolarHBondContact O-NH1 3.15Å; V179-R198 WeakPolarHBondContact O-CD 3.36Å; F180-R198 VanDerWaalsContact O-CB 3.29Å; F180-R198 WeakPolarHBondContact O-CB 3.31Å; F180-R198 PolarHBondContact O-N 3.19Å; F180-R198 VanDerWaalsContact O-N 3.12Å; R198-A203 WeakPolarHBondContact O-CB 3Å |
| 199 | Y | 76.4 | Confident | 82.4 | Confident | 151 Ų | 151 | 76.4 Ų | 76.4 | 59% | 0.592 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 25.2 | -174.4 | -45.6 | -75 | 0 | 0 | 0 | 115.5 | V179 F180 Y197 I201 N202 | V179-Y199 HydrophobicContact CG1-CE2 4.04Å; F180-Y199 HydrophobicContact CD1-CD2 4.41Å; F180-Y199 HydrophobicContact CE1-CD2 4.45Å; Y197-Y199 PolarHBondContact O-N 3.38Å; Y199-I201 PolarHBondContact O-N 3.14Å; Y199-N202 PolarHBondContact O-N 2.84Å |
| 200 | E | 80.4 | Confident | 83.6 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.8 | -99.1 | 168.1 | -60.3 | -172.3 | 160.9 | 0 | 0 | 114.4 | Y197 N202 A203 Q204 | Y197-E200 HydrophobicContact CE2-CG 4.27Å; Y197-E200 PolarHBondContact O-N 3.28Å; Y197-E200 VanDerWaalsContact O-N 3.16Å; Y197-E200 PolarHBondContact OH-OE1 3.24Å; E200-N202 VanDerWaalsContact C-N 3.28Å; E200-N202 PolarHBondContact O-N 2.79Å; E200-A203 WeakPolarHBondContact O-CB 3.31Å; E200-A203 PolarHBondContact O-N 3.37Å; E200-Q204 PolarHBondContact O-N 3.1Å; E200-Q204 VanDerWaalsContact O-N 3.09Å |
| 201 | I | 76.6 | Confident | 84.4 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 59% | 0.585 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.3 | -39.9 | -178 | -60.4 | 172.8 | 0 | 0 | 0 | 111.8 | Y199 A203 Q204 N205 | Y199-I201 PolarHBondContact O-N 3.14Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 3.45Å; I201-Q204 PolarHBondContact O-N 3.47Å; I201-N205 PolarHBondContact O-N 3.08Å; I201-N205 PolarHBondContact O-ND2 3.43Å |
| 202 | N | 82.1 | Confident | 84.7 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 179.8 | -67.9 | -29.3 | 0 | 0 | 0 | 111.8 | F180 Y199 E200 W206 | F180-N202 HydrophobicContact CE1-CB 3.93Å; Y199-N202 PolarHBondContact O-N 2.84Å; E200-N202 VanDerWaalsContact C-N 3.28Å; E200-N202 PolarHBondContact O-N 2.79Å; N202-W206 WeakPolarHBondContact O-CB 3.11Å; N202-W206 PolarHBondContact O-N 3.49Å |
| 203 | A | 80.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F180 Y196 R198 E200 I201 N205 W206 V207 | F180-A203 HydrophobicContact CB-CB 4.4Å; F180-A203 HydrophobicContact CD1-CB 4.15Å; Y196-A203 VanDerWaalsContact O-CB 3.31Å; Y196-A203 WeakPolarHBondContact O-CB 3.38Å; R198-A203 WeakPolarHBondContact O-CB 3Å; E200-A203 WeakPolarHBondContact O-CB 3.31Å; E200-A203 PolarHBondContact O-N 3.37Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 3.45Å; A203-N205 PolarHBondContact O-N 3.48Å; A203-W206 WeakPolarHBondContact O-CB 3.13Å; A203-W206 PolarHBondContact O-N 3.3Å; A203-V207 WeakPolarHBondContact O-CG2 3.09Å; A203-V207 PolarHBondContact O-N 2.88Å |
| 204 | Q | 82.8 | Confident | 84.9 | Confident | 139 Ų | 139 | 69.9 Ų | 69.9 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 176.9 | -68.8 | -179.4 | -22.5 | 0 | 0 | 112 | E200 I201 W206 V207 L208 | E200-Q204 PolarHBondContact O-N 3.1Å; E200-Q204 VanDerWaalsContact O-N 3.09Å; I201-Q204 PolarHBondContact O-N 3.47Å; Q204-W206 VanDerWaalsContact C-N 3.3Å; Q204-W206 PolarHBondContact O-N 2.89Å; Q204-V207 PolarHBondContact O-N 3.39Å; Q204-L208 PolarHBondContact O-N 3.18Å |
| 205 | N | 87.1 | Confident | 85 | Confident | 96 Ų | 96 | 70.4 Ų | 70.4 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.7 | -72.7 | -27 | 0 | 0 | 0 | 111.9 | I201 A203 L208 A209 | I201-N205 PolarHBondContact O-N 3.08Å; I201-N205 PolarHBondContact O-ND2 3.43Å; A203-N205 PolarHBondContact O-N 3.48Å; N205-L208 PolarHBondContact O-N 3.37Å; N205-A209 WeakPolarHBondContact O-CB 3.4Å; N205-A209 PolarHBondContact O-N 3.11Å |
| 206 | W | 89.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 175.3 | 173.5 | -104.1 | 0 | 0 | 0 | 112.3 | P176 N177 F180 Y196 N202 A203 Q204 L208 A209 N210 | P176-W206 HydrophobicContact CB-CD2 3.98Å; P176-W206 HydrophobicContact CB-CE3 3.96Å; P176-W206 HydrophobicContact CB-CH2 3.51Å; P176-W206 HydrophobicContact CB-CZ2 3.51Å; P176-W206 HydrophobicContact CB-CZ3 3.72Å; P176-W206 HydrophobicContact CG-CH2 3.43Å; P176-W206 VanDerWaalsContact CG-CH2 3.43Å; P176-W206 HydrophobicContact CG-CZ2 3.86Å; P176-W206 HydrophobicContact CG-CZ3 3.79Å; N177-W206 PolarHBondContact OD1-NE1 2.8Å; F180-W206 HydrophobicContact CB-CG 4.47Å; F180-W206 HydrophobicContact CD1-CB 4.4Å; F180-W206 HydrophobicContact CD2-CB 3.54Å; F180-W206 AromaticContact CD2-CD1 3.34Å; F180-W206 AromaticContact CD2-CD2 3.74Å; F180-W206 HydrophobicContact CD2-CD2 3.74Å; F180-W206 AromaticContact CD2-CG 3.19Å; F180-W206 HydrophobicContact CD2-CG 3.19Å; F180-W206 AromaticContact CD2-NE1 3.92Å; F180-W206 HydrophobicContact CE1-CB 4.45Å; F180-W206 HydrophobicContact CE2-CB 3.59Å; F180-W206 AromaticContact CE2-CD2 3.77Å; F180-W206 HydrophobicContact CE2-CD2 3.77Å; F180-W206 HydrophobicContact CE2-CE3 4.12Å; F180-W206 AromaticContact CE2-CG 3.5Å; F180-W206 HydrophobicContact CE2-CG 3.5Å; F180-W206 VanDerWaalsContact CE2-CG 3.5Å; F180-W206 HydrophobicContact CG-CB 3.98Å; F180-W206 AromaticContact CG-CD1 3.89Å; F180-W206 AromaticContact CG-CG 3.94Å; F180-W206 HydrophobicContact CG-CG 3.94Å; F180-W206 HydrophobicContact CZ-CB 4.07Å; F180-W206 HydrophobicContact CZ-CG 4.43Å; Y196-W206 AromaticContact CD1-CD1 3.88Å; Y196-W206 AromaticContact CE1-CD1 3.6Å; Y196-W206 AromaticContact CE1-NE1 3.75Å; N202-W206 WeakPolarHBondContact O-CB 3.11Å; N202-W206 PolarHBondContact O-N 3.49Å; A203-W206 WeakPolarHBondContact O-CB 3.13Å; A203-W206 PolarHBondContact O-N 3.3Å; Q204-W206 VanDerWaalsContact C-N 3.3Å; Q204-W206 PolarHBondContact O-N 2.89Å; W206-L208 VanDerWaalsContact C-N 3.29Å; W206-L208 PolarHBondContact O-N 3Å; W206-A209 PolarHBondContact O-N 2.91Å; W206-N210 HydrophobicContact CZ2-CB 4.12Å; W206-N210 VanDerWaalsContact O-CB 3.23Å; W206-N210 WeakPolarHBondContact O-CB 3.34Å; W206-N210 PolarHBondContact O-N 3.12Å |
| 207 | V | 87.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 69 Ų | 69 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56 | -47.3 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | Y196 A203 Q204 N210 R211 | Y196-V207 HydrophobicContact CD1-CG2 3.5Å; Y196-V207 VanDerWaalsContact CD1-CG2 3.5Å; Y196-V207 HydrophobicContact CD2-CG2 3.56Å; Y196-V207 HydrophobicContact CE1-CG2 4.08Å; Y196-V207 HydrophobicContact CE2-CG2 4.13Å; Y196-V207 HydrophobicContact CG-CG2 3.2Å; A203-V207 WeakPolarHBondContact O-CG2 3.09Å; A203-V207 PolarHBondContact O-N 2.88Å; Q204-V207 PolarHBondContact O-N 3.39Å; V207-N210 PolarHBondContact O-N 2.58Å; V207-R211 HydrophobicContact CG1-CG 4.44Å; V207-R211 WeakPolarHBondContact O-CB 3.07Å; V207-R211 VanDerWaalsContact O-CG 3.27Å; V207-R211 WeakPolarHBondContact O-CG 3.39Å; V207-R211 PolarHBondContact O-N 3.06Å |
| 208 | L | 88.2 | Confident | 86.1 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 178.2 | -175.9 | 61.8 | 0 | 0 | 0 | 111.9 | Q204 N205 W206 N210 R211 F212 T274 L278 | Q204-L208 PolarHBondContact O-N 3.18Å; N205-L208 PolarHBondContact O-N 3.37Å; W206-L208 VanDerWaalsContact C-N 3.29Å; W206-L208 PolarHBondContact O-N 3Å; L208-N210 VanDerWaalsContact C-N 3.32Å; L208-N210 PolarHBondContact O-N 3.49Å; L208-R211 PolarHBondContact O-N 3.45Å; L208-F212 WeakPolarHBondContact O-CB 3.46Å; L208-F212 PolarHBondContact O-N 3.49Å; L208-T274 HydrophobicContact CD1-CG2 3.51Å; L208-L278 HydrophobicContact CD1-CD1 4.07Å; L208-L278 HydrophobicContact CD2-CD2 4.28Å |
| 209 | A | 90.2 | Very high | 86.9 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N205 W206 F212 L213 | N205-A209 WeakPolarHBondContact O-CB 3.4Å; N205-A209 PolarHBondContact O-N 3.11Å; W206-A209 PolarHBondContact O-N 2.91Å; A209-F212 PolarHBondContact O-N 3.1Å; A209-L213 WeakPolarHBondContact O-CB 3.43Å; A209-L213 PolarHBondContact O-N 3.25Å |
| 210 | N | 89.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.5 | -166.8 | 47.3 | 0 | 0 | 0 | 111.6 | N123 W206 V207 L208 L213 H214 | N123-N210 VanDerWaalsContact OD1-CG 3.31Å; N123-N210 PolarHBondContact OD1-ND2 3.38Å; N123-N210 PolarHBondContact OD1-OD1 3.49Å; W206-N210 HydrophobicContact CZ2-CB 4.12Å; W206-N210 VanDerWaalsContact O-CB 3.23Å; W206-N210 WeakPolarHBondContact O-CB 3.34Å; W206-N210 PolarHBondContact O-N 3.12Å; V207-N210 PolarHBondContact O-N 2.58Å; L208-N210 VanDerWaalsContact C-N 3.32Å; L208-N210 PolarHBondContact O-N 3.49Å; N210-L213 PolarHBondContact O-N 2.86Å; N210-H214 PolarHBondContact ND2-CE1 3.49Å; N210-H214 PolarHBondContact O-N 3.48Å; N210-H214 PolarHBondContact O-ND1 3.49Å |
| 211 | R | 90.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 171.5 | -73 | 179.5 | -173.5 | -179.5 | 8.9 | 110.4 | V207 L208 L213 H214 H215 T274 E277 | V207-R211 HydrophobicContact CG1-CG 4.44Å; V207-R211 WeakPolarHBondContact O-CB 3.07Å; V207-R211 VanDerWaalsContact O-CG 3.27Å; V207-R211 WeakPolarHBondContact O-CG 3.39Å; V207-R211 PolarHBondContact O-N 3.06Å; L208-R211 PolarHBondContact O-N 3.45Å; R211-L213 PolarHBondContact O-N 3.08Å; R211-H214 WeakPolarHBondContact O-CB 3.41Å; R211-H214 PolarHBondContact O-N 2.88Å; R211-H215 PolarHBondContact O-N 2.94Å; R211-H215 VanDerWaalsContact O-N 3.08Å; R211-H215 PolarHBondContact O-ND1 2.84Å; R211-T274 WeakPolarHBondContact CD-OG1 3.45Å; R211-T274 PolarHBondContact NH1-OG1 3.14Å; R211-E277 IonicContact CZ-OE1 3.91Å; R211-E277 IonicContact CZ-OE2 3.37Å; R211-E277 IonicContact NH1-OE1 3.5Å; R211-E277 IonicContact NH1-OE2 2.67Å; R211-E277 PolarHBondContact NH1-OE2 3.27Å; R211-E277 IonicContact NH2-OE1 3.3Å; R211-E277 PolarHBondContact NH2-OE1 2.89Å; R211-E277 IonicContact NH2-OE2 3.23Å; R211-E277 PolarHBondContact NH2-OE2 3.06Å |
| 212 | F | 90.1 | Very high | 88.8 | Confident | 141 Ų | 141 | 54.8 Ų | 54.8 | 62% | 0.618 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 177.1 | -176.2 | -98.1 | 0 | 0 | 0 | 112.3 | L208 A209 H214 H215 V216 | L208-F212 WeakPolarHBondContact O-CB 3.46Å; L208-F212 PolarHBondContact O-N 3.49Å; A209-F212 PolarHBondContact O-N 3.1Å; F212-H214 VanDerWaalsContact C-N 3.29Å; F212-H214 PolarHBondContact O-N 2.97Å; F212-H215 PolarHBondContact O-N 3.29Å; F212-V216 HydrophobicContact CD1-CG2 3.96Å; F212-V216 HydrophobicContact CE1-CG2 3.53Å; F212-V216 HydrophobicContact CE2-CG2 4.33Å; F212-V216 HydrophobicContact CZ-CG2 3.74Å; F212-V216 WeakPolarHBondContact O-CG2 3.43Å; F212-V216 PolarHBondContact O-N 3.29Å |
| 213 | L | 90.9 | Very high | 89.2 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 175.5 | 179.4 | 64.5 | 0 | 0 | 0 | 112 | L127 L173 A209 N210 R211 T217 | L127-L213 HydrophobicContact CD2-CG 4.47Å; L173-L213 HydrophobicContact CB-CD2 4.44Å; L173-L213 HydrophobicContact CD1-CD2 4.46Å; L173-L213 HydrophobicContact CD2-CD2 4.35Å; A209-L213 WeakPolarHBondContact O-CB 3.43Å; A209-L213 PolarHBondContact O-N 3.25Å; N210-L213 PolarHBondContact O-N 2.86Å; R211-L213 PolarHBondContact O-N 3.08Å; L213-T217 VanDerWaalsContact O-CB 3.27Å; L213-T217 WeakPolarHBondContact O-CB 3.4Å; L213-T217 PolarHBondContact O-N 3Å; L213-T217 PolarHBondContact O-OG1 3.4Å |
| 214 | H | 89.4 | Confident | 89.7 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.2 | -74.7 | 128.5 | 0 | 0 | 0 | 112.3 | N123 L126 N210 R211 F212 T217 F218 | N123-H214 PolarHBondContact OD1-CE1 3.01Å; N123-H214 PolarHBondContact OD1-NE2 3.15Å; N123-H214 VanDerWaalsContact OD1-NE2 3.11Å; L126-H214 WeakPolarHBondContact CD1-NE2 3.4Å; N210-H214 PolarHBondContact ND2-CE1 3.49Å; N210-H214 PolarHBondContact O-N 3.48Å; N210-H214 PolarHBondContact O-ND1 3.49Å; R211-H214 WeakPolarHBondContact O-CB 3.41Å; R211-H214 PolarHBondContact O-N 2.88Å; F212-H214 VanDerWaalsContact C-N 3.29Å; F212-H214 PolarHBondContact O-N 2.97Å; H214-T217 PolarHBondContact O-N 3.36Å; H214-F218 VanDerWaalsContact O-CB 3.28Å; H214-F218 WeakPolarHBondContact O-CB 3.26Å; H214-F218 PolarHBondContact O-N 3.39Å |
| 215 | H | 90.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 178.5 | -70.6 | 75.1 | 0 | 0 | 0 | 110.7 | R211 F212 T217 F218 F219 N267 | R211-H215 PolarHBondContact O-N 2.94Å; R211-H215 VanDerWaalsContact O-N 3.08Å; R211-H215 PolarHBondContact O-ND1 2.84Å; F212-H215 PolarHBondContact O-N 3.29Å; H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 2.96Å; H215-F218 PolarHBondContact O-N 3.14Å; H215-F219 HydrophobicContact CB-CD2 4.35Å; H215-F219 HydrophobicContact CB-CE2 4.34Å; H215-F219 WeakPolarHBondContact O-CD2 3.28Å; H215-F219 PolarHBondContact O-N 3.11Å; H215-N267 PolarHBondContact NE2-O 3.32Å |
| 216 | V | 91.4 | Very high | 90 | Very high | 71 Ų | 71 | 46 Ų | 46 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -47 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.9 | F212 F218 F220 | F212-V216 HydrophobicContact CD1-CG2 3.96Å; F212-V216 HydrophobicContact CE1-CG2 3.53Å; F212-V216 HydrophobicContact CE2-CG2 4.33Å; F212-V216 HydrophobicContact CZ-CG2 3.74Å; F212-V216 WeakPolarHBondContact O-CG2 3.43Å; F212-V216 PolarHBondContact O-N 3.29Å; V216-F218 PolarHBondContact O-N 3.11Å; V216-F220 WeakPolarHBondContact O-CB 3.02Å; V216-F220 PolarHBondContact O-N 2.98Å |
| 217 | T | 90.5 | Very high | 90 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | L127 F131 L213 H214 H215 S221 | L127-T217 HydrophobicContact CD2-CG2 3.92Å; F131-T217 HydrophobicContact CD1-CG2 4.24Å; F131-T217 HydrophobicContact CD2-CG2 4.44Å; F131-T217 HydrophobicContact CE1-CG2 3.73Å; F131-T217 HydrophobicContact CE2-CG2 3.95Å; F131-T217 HydrophobicContact CZ-CG2 3.56Å; L213-T217 VanDerWaalsContact O-CB 3.27Å; L213-T217 WeakPolarHBondContact O-CB 3.4Å; L213-T217 PolarHBondContact O-N 3Å; L213-T217 PolarHBondContact O-OG1 3.4Å; H214-T217 PolarHBondContact O-N 3.36Å; H215-T217 VanDerWaalsContact C-N 3.33Å; H215-T217 PolarHBondContact O-N 2.96Å; T217-S221 VanDerWaalsContact O-CB 3.3Å; T217-S221 WeakPolarHBondContact O-CB 2.97Å; T217-S221 PolarHBondContact O-N 2.87Å; T217-S221 PolarHBondContact O-OG 3Å |
| 218 | F | 89.8 | Confident | 90 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.022 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -54.2 | 177.2 | 173.1 | -99.8 | 0 | 0 | 0 | 111.5 | H214 H215 V216 F220 S221 L222 F259 W263 L264 N267 | H214-F218 VanDerWaalsContact O-CB 3.28Å; H214-F218 WeakPolarHBondContact O-CB 3.26Å; H214-F218 PolarHBondContact O-N 3.39Å; H215-F218 PolarHBondContact O-N 3.14Å; V216-F218 PolarHBondContact O-N 3.11Å; F218-F220 VanDerWaalsContact C-N 3.34Å; F218-F220 PolarHBondContact O-N 3.19Å; F218-S221 PolarHBondContact O-N 2.91Å; F218-L222 HydrophobicContact CE1-CD2 4.13Å; F218-L222 HydrophobicContact CZ-CD2 4.27Å; F218-L222 WeakPolarHBondContact O-CB 3.4Å; F218-L222 PolarHBondContact O-N 3.46Å; F218-F259 AromaticContact CD2-CE1 3.74Å; F218-F259 HydrophobicContact CD2-CE1 3.74Å; F218-F259 AromaticContact CD2-CZ 3.53Å; F218-F259 HydrophobicContact CD2-CZ 3.53Å; F218-F259 HydrophobicContact CE2-CD1 4.13Å; F218-F259 AromaticContact CE2-CE1 3.31Å; F218-F259 HydrophobicContact CE2-CE1 3.31Å; F218-F259 HydrophobicContact CE2-CE2 4.42Å; F218-F259 AromaticContact CE2-CZ 3.51Å; F218-F259 HydrophobicContact CE2-CZ 3.51Å; F218-F259 HydrophobicContact CZ-CE1 4.21Å; F218-W263 HydrophobicContact CD2-CB 4.15Å; F218-W263 HydrophobicContact CE2-CB 3.47Å; F218-W263 VanDerWaalsContact CE2-CB 3.47Å; F218-W263 HydrophobicContact CZ-CB 4.23Å; F218-L264 HydrophobicContact CE1-CD1 3.76Å; F218-L264 HydrophobicContact CZ-CB 4.1Å; F218-L264 HydrophobicContact CZ-CD1 4.09Å; F218-N267 HydrophobicContact CD1-CB 4.16Å; F218-N267 WeakPolarHBondContact CD2-ND2 2.78Å; F218-N267 HydrophobicContact CE1-CB 4.24Å; F218-N267 WeakPolarHBondContact CG-ND2 3.09Å |
| 219 | F | 91.3 | Very high | 89.7 | Confident | 96 Ų | 96 | 46.6 Ų | 46.6 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -36.9 | -178.6 | -73.9 | -64.2 | 0 | 0 | 0 | 112.3 | H215 L222 A223 L264 | H215-F219 HydrophobicContact CB-CD2 4.35Å; H215-F219 HydrophobicContact CB-CE2 4.34Å; H215-F219 WeakPolarHBondContact O-CD2 3.28Å; H215-F219 PolarHBondContact O-N 3.11Å; F219-L222 PolarHBondContact O-N 3.23Å; F219-A223 VanDerWaalsContact O-CB 3.28Å; F219-A223 WeakPolarHBondContact O-CB 3.46Å; F219-A223 PolarHBondContact O-N 3.37Å; F219-L264 HydrophobicContact CE1-CD1 4.37Å |
| 220 | F | 91.2 | Very high | 89.5 | Confident | 116 Ų | 116 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -50.1 | 172.3 | 174.2 | -100.5 | 0 | 0 | 0 | 111.3 | F131 V216 F218 L222 A223 V224 | F131-F220 HydrophobicContact CE1-CD1 4.26Å; F131-F220 HydrophobicContact CE1-CE1 4.46Å; V216-F220 WeakPolarHBondContact O-CB 3.02Å; V216-F220 PolarHBondContact O-N 2.98Å; F218-F220 VanDerWaalsContact C-N 3.34Å; F218-F220 PolarHBondContact O-N 3.19Å; F220-L222 VanDerWaalsContact C-N 3.33Å; F220-L222 PolarHBondContact O-N 3.48Å; F220-A223 PolarHBondContact O-N 2.95Å; F220-V224 HydrophobicContact CE1-CG2 4.21Å; F220-V224 HydrophobicContact CE2-CG2 4.17Å; F220-V224 HydrophobicContact CZ-CG2 3.98Å; F220-V224 WeakPolarHBondContact O-CG2 3.27Å; F220-V224 PolarHBondContact O-N 2.82Å |
| 221 | S | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 179.8 | -59 | 0 | 0 | 0 | 0 | 111.5 | S130 T217 F218 V224 M225 | S130-S221 PolarHBondContact O-OG 3.31Å; T217-S221 VanDerWaalsContact O-CB 3.3Å; T217-S221 WeakPolarHBondContact O-CB 2.97Å; T217-S221 PolarHBondContact O-N 2.87Å; T217-S221 PolarHBondContact O-OG 3Å; F218-S221 PolarHBondContact O-N 2.91Å; S221-V224 PolarHBondContact O-N 3.17Å; S221-M225 WeakPolarHBondContact O-CG 3.47Å; S221-M225 PolarHBondContact O-N 2.75Å |
| 222 | L | 89.8 | Confident | 88.6 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.4 | -179.8 | 60.5 | 0 | 0 | 0 | 111.8 | F218 F219 F220 V224 M225 C226 C260 | F218-L222 HydrophobicContact CE1-CD2 4.13Å; F218-L222 HydrophobicContact CZ-CD2 4.27Å; F218-L222 WeakPolarHBondContact O-CB 3.4Å; F218-L222 PolarHBondContact O-N 3.46Å; F219-L222 PolarHBondContact O-N 3.23Å; F220-L222 VanDerWaalsContact C-N 3.33Å; F220-L222 PolarHBondContact O-N 3.48Å; L222-V224 PolarHBondContact O-N 2.99Å; L222-M225 PolarHBondContact O-N 2.85Å; L222-C226 WeakPolarHBondContact O-CB 3.24Å; L222-C226 PolarHBondContact O-N 2.97Å; L222-C226 PolarHBondContact O-SG 2.92Å; L222-C226 VanDerWaalsContact O-SG 3.32Å; L222-C260 WeakPolarHBondContact CD1-SG 3.49Å |
| 223 | A | 91.8 | Very high | 88.1 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F219 F220 M225 C226 Y227 | F219-A223 VanDerWaalsContact O-CB 3.28Å; F219-A223 WeakPolarHBondContact O-CB 3.46Å; F219-A223 PolarHBondContact O-N 3.37Å; F220-A223 PolarHBondContact O-N 2.95Å; A223-M225 PolarHBondContact O-N 3.2Å; A223-C226 PolarHBondContact O-N 3.02Å; A223-Y227 WeakPolarHBondContact O-CB 3.47Å; A223-Y227 PolarHBondContact O-N 3.39Å |
| 224 | V | 91.1 | Very high | 87.6 | Confident | 35 Ų | 35 | 43 Ų | 43 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 175.3 | 172 | 0 | 0 | 0 | 0 | 110.7 | A134 F220 S221 L222 C228 | A134-V224 HydrophobicContact CB-CB 4.37Å; A134-V224 HydrophobicContact CB-CG1 4.2Å; F220-V224 HydrophobicContact CE1-CG2 4.21Å; F220-V224 HydrophobicContact CE2-CG2 4.17Å; F220-V224 HydrophobicContact CZ-CG2 3.98Å; F220-V224 WeakPolarHBondContact O-CG2 3.27Å; F220-V224 PolarHBondContact O-N 2.82Å; S221-V224 PolarHBondContact O-N 3.17Å; L222-V224 PolarHBondContact O-N 2.99Å; V224-C228 VanDerWaalsContact O-CB 3.3Å; V224-C228 WeakPolarHBondContact O-CB 3.21Å; V224-C228 PolarHBondContact O-N 3.44Å; V224-C228 PolarHBondContact O-SG 3.02Å |
| 225 | M | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 177.8 | -74.9 | -166.7 | -62.6 | 0 | 0 | 112 | L133 S221 L222 A223 Y227 C228 Y229 T256 F259 | L133-M225 HydrophobicContact CB-SD 3.91Å; S221-M225 WeakPolarHBondContact O-CG 3.47Å; S221-M225 PolarHBondContact O-N 2.75Å; L222-M225 PolarHBondContact O-N 2.85Å; A223-M225 PolarHBondContact O-N 3.2Å; M225-Y227 VanDerWaalsContact C-N 3.34Å; M225-Y227 PolarHBondContact O-N 2.69Å; M225-C228 PolarHBondContact O-N 3.24Å; M225-Y229 HydrophobicContact CB-CD2 4.01Å; M225-Y229 HydrophobicContact CB-CE2 3.87Å; M225-Y229 HydrophobicContact CG-CE2 4.07Å; M225-Y229 WeakPolarHBondContact O-CB 3.38Å; M225-Y229 WeakPolarHBondContact O-CD2 3.38Å; M225-Y229 PolarHBondContact O-N 3.5Å; M225-Y229 HydrophobicContact SD-CE2 4.4Å; M225-T256 HydrophobicContact CB-CG2 4.18Å; M225-T256 HydrophobicContact CE-CG2 4.49Å; M225-F259 HydrophobicContact CE-CD1 3.31Å; M225-F259 HydrophobicContact CE-CE1 3.53Å; M225-F259 HydrophobicContact CE-CG 3.97Å; M225-F259 HydrophobicContact CE-CZ 4.36Å |
| 226 | C | 88.4 | Confident | 86 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 179.3 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | L222 A223 T230 | L222-C226 WeakPolarHBondContact O-CB 3.24Å; L222-C226 PolarHBondContact O-N 2.97Å; L222-C226 PolarHBondContact O-SG 2.92Å; L222-C226 VanDerWaalsContact O-SG 3.32Å; A223-C226 PolarHBondContact O-N 3.02Å; C226-T230 VanDerWaalsContact O-CB 3.25Å; C226-T230 WeakPolarHBondContact O-CB 2.9Å; C226-T230 PolarHBondContact O-N 3.04Å; C226-T230 PolarHBondContact O-OG1 3.4Å |
| 227 | Y | 89.9 | Confident | 85.1 | Confident | 141 Ų | 141 | 49.5 Ų | 49.5 | 55% | 0.553 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.7 | -52 | 175.2 | 172.9 | -97.5 | 0 | 0 | 0 | 111.7 | Y141 A223 M225 Y229 T230 A231 | Y141-Y227 HydrophobicContact CE2-CE1 4.17Å; Y141-Y227 AromaticContact CZ-CE1 3.96Å; Y141-Y227 PolarHBondContact OH-OH 3.43Å; A223-Y227 WeakPolarHBondContact O-CB 3.47Å; A223-Y227 PolarHBondContact O-N 3.39Å; M225-Y227 VanDerWaalsContact C-N 3.34Å; M225-Y227 PolarHBondContact O-N 2.69Å; Y227-Y229 VanDerWaalsContact C-N 3.34Å; Y227-Y229 PolarHBondContact O-N 2.69Å; Y227-T230 PolarHBondContact O-N 3.47Å; Y227-A231 WeakPolarHBondContact O-CB 3.34Å; Y227-A231 PolarHBondContact O-N 3.4Å |
| 228 | C | 87 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | -178.2 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | Y141 V224 M225 A231 L232 | Y141-C228 HydrophobicContact CG-CB 4.41Å; V224-C228 VanDerWaalsContact O-CB 3.3Å; V224-C228 WeakPolarHBondContact O-CB 3.21Å; V224-C228 PolarHBondContact O-N 3.44Å; V224-C228 PolarHBondContact O-SG 3.02Å; M225-C228 PolarHBondContact O-N 3.24Å; C228-A231 PolarHBondContact O-N 2.96Å; C228-L232 WeakPolarHBondContact O-CB 3.3Å; C228-L232 WeakPolarHBondContact O-CG 3.25Å; C228-L232 PolarHBondContact O-N 2.74Å |
| 229 | Y | 82.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.6 | -34.4 | -177.7 | -66.8 | -54.4 | 0 | 0 | 0 | 113.4 | G137 M225 Y227 A231 L232 V233 A252 L253 T256 | G137-Y229 WeakPolarHBondContact CA-OH 3.27Å; M225-Y229 HydrophobicContact CB-CD2 4.01Å; M225-Y229 HydrophobicContact CB-CE2 3.87Å; M225-Y229 HydrophobicContact CG-CE2 4.07Å; M225-Y229 WeakPolarHBondContact O-CB 3.38Å; M225-Y229 WeakPolarHBondContact O-CD2 3.38Å; M225-Y229 PolarHBondContact O-N 3.5Å; M225-Y229 HydrophobicContact SD-CE2 4.4Å; Y227-Y229 VanDerWaalsContact C-N 3.34Å; Y227-Y229 PolarHBondContact O-N 2.69Å; Y229-A231 VanDerWaalsContact C-N 3.34Å; Y229-L232 HydrophobicContact CD1-CD1 3.48Å; Y229-L232 VanDerWaalsContact CD1-CD1 3.48Å; Y229-L232 HydrophobicContact CE1-CD1 3.79Å; Y229-L232 WeakPolarHBondContact O-CB 3.36Å; Y229-L232 PolarHBondContact O-N 3.42Å; Y229-V233 WeakPolarHBondContact O-CB 3.31Å; Y229-V233 VanDerWaalsContact O-CG2 3.27Å; Y229-V233 WeakPolarHBondContact O-CG2 3.45Å; Y229-V233 PolarHBondContact O-N 3.46Å; Y229-A252 HydrophobicContact CD1-CB 4.04Å; Y229-A252 HydrophobicContact CE1-CB 3.19Å; Y229-L253 HydrophobicContact CG-CD2 4.47Å; Y229-T256 HydrophobicContact CD2-CG2 4.06Å; Y229-T256 WeakPolarHBondContact CD2-OG1 3.39Å; Y229-T256 HydrophobicContact CE2-CG2 4.32Å; Y229-T256 WeakPolarHBondContact CE2-OG1 3.3Å |
| 230 | T | 84.7 | Confident | 81.5 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 171.4 | -58 | 0 | 0 | 0 | 0 | 110.2 | C226 Y227 L232 V233 I234 | C226-T230 VanDerWaalsContact O-CB 3.25Å; C226-T230 WeakPolarHBondContact O-CB 2.9Å; C226-T230 PolarHBondContact O-N 3.04Å; C226-T230 PolarHBondContact O-OG1 3.4Å; Y227-T230 PolarHBondContact O-N 3.47Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 PolarHBondContact O-N 2.95Å; T230-V233 PolarHBondContact O-N 2.85Å; T230-I234 HydrophobicContact CG2-CD1 3.94Å; T230-I234 VanDerWaalsContact O-CG1 3.31Å; T230-I234 WeakPolarHBondContact O-CG1 3.11Å; T230-I234 PolarHBondContact O-N 3.48Å |
| 231 | A | 83.4 | Confident | 80.1 | Confident | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y141 Y227 C228 Y229 T235 | Y141-A231 HydrophobicContact CD2-CB 3.82Å; Y141-A231 HydrophobicContact CE2-CB 3.54Å; Y227-A231 WeakPolarHBondContact O-CB 3.34Å; Y227-A231 PolarHBondContact O-N 3.4Å; C228-A231 PolarHBondContact O-N 2.96Å; Y229-A231 VanDerWaalsContact C-N 3.34Å; A231-T235 WeakPolarHBondContact O-CB 3.43Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 3.35Å |
| 232 | L | 77.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 173.7 | -78.4 | 167.3 | 0 | 0 | 0 | 112.2 | R140 I144 V145 C228 Y229 T230 T235 L236 | R140-L232 HydrophobicContact CB-CD1 4.02Å; I144-L232 HydrophobicContact CB-CD2 3.47Å; I144-L232 VanDerWaalsContact CB-CD2 3.47Å; I144-L232 HydrophobicContact CD1-CD2 3.71Å; I144-L232 HydrophobicContact CG1-CD2 4.12Å; I144-L232 HydrophobicContact CG2-CD2 3.65Å; V145-L232 HydrophobicContact CG2-CD2 3.86Å; V145-L232 HydrophobicContact CG2-CG 4.22Å; C228-L232 WeakPolarHBondContact O-CB 3.3Å; C228-L232 WeakPolarHBondContact O-CG 3.25Å; C228-L232 PolarHBondContact O-N 2.74Å; Y229-L232 HydrophobicContact CD1-CD1 3.48Å; Y229-L232 VanDerWaalsContact CD1-CD1 3.48Å; Y229-L232 HydrophobicContact CE1-CD1 3.79Å; Y229-L232 WeakPolarHBondContact O-CB 3.36Å; Y229-L232 PolarHBondContact O-N 3.42Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 PolarHBondContact O-N 2.95Å; L232-T235 PolarHBondContact O-N 3.2Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.38Å |
| 233 | V | 79.8 | Confident | 77.5 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.2 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | Y229 T230 T235 L236 F237 L253 | Y229-V233 WeakPolarHBondContact O-CB 3.31Å; Y229-V233 VanDerWaalsContact O-CG2 3.27Å; Y229-V233 WeakPolarHBondContact O-CG2 3.45Å; Y229-V233 PolarHBondContact O-N 3.46Å; T230-V233 PolarHBondContact O-N 2.85Å; V233-T235 VanDerWaalsContact C-N 3.32Å; V233-T235 PolarHBondContact O-N 3.39Å; V233-L236 WeakPolarHBondContact O-CB 3.11Å; V233-L236 PolarHBondContact O-N 3.34Å; V233-L236 VanDerWaalsContact O-N 3.14Å; V233-F237 HydrophobicContact CG1-CD2 3.62Å; V233-F237 HydrophobicContact CG1-CE2 3.37Å; V233-F237 VanDerWaalsContact O-CD2 3.24Å; V233-F237 WeakPolarHBondContact O-CD2 3.37Å; V233-F237 PolarHBondContact O-N 3.37Å; V233-L253 HydrophobicContact CG2-CD1 3.92Å; V233-L253 HydrophobicContact CG2-CD2 4.11Å; V233-L253 HydrophobicContact CG2-CG 4.47Å |
| 234 | I | 81.6 | Confident | 76 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.2 | -67.6 | 166.9 | 0 | 0 | 0 | 110.9 | T230 L236 F237 K238 | T230-I234 HydrophobicContact CG2-CD1 3.94Å; T230-I234 VanDerWaalsContact O-CG1 3.31Å; T230-I234 WeakPolarHBondContact O-CG1 3.11Å; T230-I234 PolarHBondContact O-N 3.48Å; I234-L236 VanDerWaalsContact C-N 3.27Å; I234-L236 PolarHBondContact O-N 2.72Å; I234-F237 PolarHBondContact O-N 3.25Å; I234-K238 HydrophobicContact CG2-CD 4.35Å; I234-K238 WeakPolarHBondContact O-CG 3.39Å; I234-K238 PolarHBondContact O-N 3.19Å; I234-K238 VanDerWaalsContact O-N 3.13Å |
| 235 | T | 74.3 | Confident | 74.9 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 23% | 0.233 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -34.9 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | A231 L232 V233 K238 S239 | A231-T235 WeakPolarHBondContact O-CB 3.43Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 3.35Å; L232-T235 PolarHBondContact O-N 3.2Å; V233-T235 VanDerWaalsContact C-N 3.32Å; V233-T235 PolarHBondContact O-N 3.39Å; T235-K238 PolarHBondContact O-N 2.93Å; T235-S239 WeakPolarHBondContact O-CB 3.37Å; T235-S239 PolarHBondContact O-N 2.8Å; T235-S239 VanDerWaalsContact O-N 3.11Å |
| 236 | L | 70.4 | Confident | 74.2 | Confident | 46 Ų | 46 | 80 Ų | 80 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 177.4 | -173.1 | 67.6 | 0 | 0 | 0 | 112.1 | L232 V233 I234 K238 S239 K246 I249 | L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.38Å; V233-L236 WeakPolarHBondContact O-CB 3.11Å; V233-L236 PolarHBondContact O-N 3.34Å; V233-L236 VanDerWaalsContact O-N 3.14Å; I234-L236 VanDerWaalsContact C-N 3.27Å; I234-L236 PolarHBondContact O-N 2.72Å; L236-K238 PolarHBondContact O-N 2.95Å; L236-S239 PolarHBondContact O-N 3.49Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L236-K246 HydrophobicContact CD1-CG 4.06Å; L236-K246 HydrophobicContact CD2-CG 4.32Å; L236-I249 HydrophobicContact CB-CD1 4Å; L236-I249 HydrophobicContact CD1-CD1 3.74Å; L236-I249 HydrophobicContact CD2-CD1 3.8Å; L236-I249 HydrophobicContact CD2-CG2 4.32Å; L236-I249 HydrophobicContact CG-CD1 4.05Å |
| 237 | F | 73.4 | Confident | 73.3 | Confident | 179 Ų | 179 | 78.6 Ų | 78.6 | 79% | 0.785 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -34.6 | 175.2 | -81.1 | -65 | 0 | 0 | 0 | 112 | V233 I234 | V233-F237 HydrophobicContact CG1-CD2 3.62Å; V233-F237 HydrophobicContact CG1-CE2 3.37Å; V233-F237 VanDerWaalsContact O-CD2 3.24Å; V233-F237 WeakPolarHBondContact O-CD2 3.37Å; V233-F237 PolarHBondContact O-N 3.37Å; I234-F237 PolarHBondContact O-N 3.25Å |
| 238 | K | 72.4 | Confident | 72.4 | Confident | 177 Ų | 177 | 73.5 Ų | 73.5 | 77% | 0.77 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -79 | -16.4 | 177.2 | -69.9 | -176.5 | 177.3 | -174.9 | 0 | 114.5 | I234 T235 L236 | I234-K238 HydrophobicContact CG2-CD 4.35Å; I234-K238 WeakPolarHBondContact O-CG 3.39Å; I234-K238 PolarHBondContact O-N 3.19Å; I234-K238 VanDerWaalsContact O-N 3.13Å; T235-K238 PolarHBondContact O-N 2.93Å; L236-K238 PolarHBondContact O-N 2.95Å |
| 239 | S | 65.1 | Low | 71.8 | Confident | 34 Ų | 34 | 73.7 Ų | 73.7 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | trans | -123.4 | 114 | -170.6 | -155.3 | 0 | 0 | 0 | 0 | 110.8 | T235 L236 K241 | T235-S239 WeakPolarHBondContact O-CB 3.37Å; T235-S239 PolarHBondContact O-N 2.8Å; T235-S239 VanDerWaalsContact O-N 3.11Å; L236-S239 PolarHBondContact O-N 3.49Å; L236-S239 VanDerWaalsContact O-N 3.16Å; S239-K241 PolarHBondContact O-N 3.21Å; S239-K241 VanDerWaalsContact OG-CD 3.22Å; S239-K241 WeakPolarHBondContact OG-CD 3.35Å; S239-K241 VanDerWaalsContact OG-CE 3.32Å; S239-K241 WeakPolarHBondContact OG-CE 3.4Å; S239-K241 VanDerWaalsContact OG-CG 3.32Å; S239-K241 WeakPolarHBondContact OG-CG 3.38Å | ||
| 240 | Q | 58.1 | Low | 71.6 | Confident | 208 Ų | 208 | 81.5 Ų | 81.5 | 97% | 0.972 | 42% | 0.42 | S | S | * | . | trans | -66 | 57.6 | 170.8 | -74 | -167 | -11.7 | 0 | 0 | 112 | ||||
| 241 | K | 61.1 | Low | 71.2 | Confident | 90 Ų | 90 | 79 Ų | 79 | 39% | 0.391 | 40% | 0.404 | S | S | . | . | trans | -97.7 | 149.3 | -173.8 | -84.9 | 179.5 | -179.4 | 169.3 | 0 | 112.9 | S239 K245 | S239-K241 PolarHBondContact O-N 3.21Å; S239-K241 VanDerWaalsContact OG-CD 3.22Å; S239-K241 WeakPolarHBondContact OG-CD 3.35Å; S239-K241 VanDerWaalsContact OG-CE 3.32Å; S239-K241 WeakPolarHBondContact OG-CE 3.4Å; S239-K241 VanDerWaalsContact OG-CG 3.32Å; S239-K241 WeakPolarHBondContact OG-CG 3.38Å; K241-K245 HydrophobicContact CB-CD 4.2Å; K241-K245 HydrophobicContact CD-CD 4.19Å | ||
| 242 | S | 62.7 | Low | 70.9 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | trans | -28.3 | 139.7 | 179 | 169.1 | 0 | 0 | 0 | 0 | 116.6 | A244 K245 | S242-A244 PolarHBondContact O-N 3.03Å; S242-A244 PolarHBondContact OG-N 2.72Å; S242-K245 PolarHBondContact O-N 3.31Å | ||
| 243 | Q | 63.6 | Low | 71 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -49.1 | -31.8 | 174 | -67.7 | -67.5 | -13.1 | 0 | 0 | 113.6 | K245 K246 G247 | Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 2.91Å; Q243-K246 PolarHBondContact O-N 3.38Å; Q243-G247 PolarHBondContact O-N 2.94Å; Q243-G247 VanDerWaalsContact O-N 3.13Å |
| 244 | A | 61 | Low | 71.2 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 63% | 0.628 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.1 | -34.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S242 A248 | S242-A244 PolarHBondContact O-N 3.03Å; S242-A244 PolarHBondContact OG-N 2.72Å; A244-A248 PolarHBondContact O-N 2.88Å |
| 245 | K | 68.6 | Low | 71.2 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 34% | 0.335 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -73.4 | -36.5 | 176.5 | -67.7 | -171.8 | 178.2 | -174.6 | 0 | 111.5 | K241 S242 Q243 G247 A248 I249 | K241-K245 HydrophobicContact CB-CD 4.2Å; K241-K245 HydrophobicContact CD-CD 4.19Å; S242-K245 PolarHBondContact O-N 3.31Å; Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 2.91Å; K245-G247 VanDerWaalsContact C-N 3.34Å; K245-G247 PolarHBondContact O-N 3.49Å; K245-A248 PolarHBondContact O-N 3.01Å; K245-I249 WeakPolarHBondContact O-CD1 3.28Å; K245-I249 VanDerWaalsContact O-CG1 3.3Å; K245-I249 WeakPolarHBondContact O-CG1 3.23Å; K245-I249 PolarHBondContact O-N 3.43Å |
| 246 | K | 71.6 | Confident | 71.6 | Confident | 95 Ų | 95 | 77 Ų | 77 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.8 | -65.9 | -175.7 | 177.6 | -176.6 | 0 | 111.8 | L236 Q243 I249 R250 | L236-K246 HydrophobicContact CD1-CG 4.06Å; L236-K246 HydrophobicContact CD2-CG 4.32Å; Q243-K246 PolarHBondContact O-N 3.38Å; K246-I249 PolarHBondContact O-N 2.88Å; K246-R250 WeakPolarHBondContact O-CB 3.3Å; K246-R250 PolarHBondContact O-N 3.39Å |
| 247 | G | 71.1 | Confident | 72.4 | Confident | 28 Ų | 28 | 79.3 Ų | 79.3 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q243 K245 I249 R250 L251 | Q243-G247 PolarHBondContact O-N 2.94Å; Q243-G247 VanDerWaalsContact O-N 3.13Å; K245-G247 VanDerWaalsContact C-N 3.34Å; K245-G247 PolarHBondContact O-N 3.49Å; G247-I249 PolarHBondContact O-N 3.21Å; G247-R250 PolarHBondContact O-N 3.31Å; G247-L251 WeakPolarHBondContact O-CB 3.4Å; G247-L251 PolarHBondContact O-N 3.02Å |
| 248 | A | 71 | Confident | 73.1 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A244 K245 A252 | A244-A248 PolarHBondContact O-N 2.88Å; K245-A248 PolarHBondContact O-N 3.01Å; A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.9Å; A248-A252 VanDerWaalsContact O-N 3.08Å |
| 249 | I | 73.2 | Confident | 73.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 177.3 | -66.3 | 164.3 | 0 | 0 | 0 | 110.8 | I144 L236 K245 K246 G247 L251 A252 L253 | I144-I249 HydrophobicContact CD1-CD1 4.42Å; I144-I249 HydrophobicContact CD1-CG1 4.01Å; L236-I249 HydrophobicContact CB-CD1 4Å; L236-I249 HydrophobicContact CD1-CD1 3.74Å; L236-I249 HydrophobicContact CD2-CD1 3.8Å; L236-I249 HydrophobicContact CD2-CG2 4.32Å; L236-I249 HydrophobicContact CG-CD1 4.05Å; K245-I249 WeakPolarHBondContact O-CD1 3.28Å; K245-I249 VanDerWaalsContact O-CG1 3.3Å; K245-I249 WeakPolarHBondContact O-CG1 3.23Å; K245-I249 PolarHBondContact O-N 3.43Å; K246-I249 PolarHBondContact O-N 2.88Å; G247-I249 PolarHBondContact O-N 3.21Å; I249-L251 VanDerWaalsContact C-N 3.33Å; I249-L251 PolarHBondContact O-N 2.97Å; I249-A252 PolarHBondContact O-N 3.38Å; I249-L253 HydrophobicContact CG2-CD1 4.09Å; I249-L253 HydrophobicContact CG2-CG 4.46Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.33Å |
| 250 | R | 78.8 | Confident | 74.8 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.7 | -46 | 175.3 | -179.4 | -179.9 | 176.8 | -175.5 | 0.1 | 111.6 | K246 G247 A252 L254 | K246-R250 WeakPolarHBondContact O-CB 3.3Å; K246-R250 PolarHBondContact O-N 3.39Å; G247-R250 PolarHBondContact O-N 3.31Å; R250-A252 VanDerWaalsContact C-N 3.32Å; R250-A252 PolarHBondContact O-N 2.87Å; R250-L254 HydrophobicContact CG-CD1 4.08Å; R250-L254 WeakPolarHBondContact O-CB 3.42Å; R250-L254 VanDerWaalsContact O-CG 3.31Å; R250-L254 WeakPolarHBondContact O-CG 3.34Å; R250-L254 PolarHBondContact O-N 3.44Å |
| 251 | L | 77.3 | Confident | 76.3 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.6 | 173.7 | 64.2 | 0 | 0 | 0 | 111.2 | G247 I249 L254 V255 L313 Y314 V317 | G247-L251 WeakPolarHBondContact O-CB 3.4Å; G247-L251 PolarHBondContact O-N 3.02Å; I249-L251 VanDerWaalsContact C-N 3.33Å; I249-L251 PolarHBondContact O-N 2.97Å; L251-L254 PolarHBondContact O-N 2.03Å; L251-V255 HydrophobicContact CD1-CG2 4.28Å; L251-V255 VanDerWaalsContact O-CG2 3.32Å; L251-V255 WeakPolarHBondContact O-CG2 3.06Å; L251-V255 PolarHBondContact O-N 3.49Å; L251-L313 HydrophobicContact CD1-CB 4.25Å; L251-Y314 HydrophobicContact CD1-CD1 3.94Å; L251-Y314 HydrophobicContact CD1-CE1 4.2Å; L251-Y314 HydrophobicContact CD2-CD1 4Å; L251-Y314 HydrophobicContact CD2-CE1 4.3Å; L251-Y314 HydrophobicContact CG-CD1 4.39Å; L251-Y314 HydrophobicContact CG-CE1 4.43Å; L251-V317 HydrophobicContact CB-CG1 4.1Å; L251-V317 HydrophobicContact CD1-CB 4.01Å; L251-V317 HydrophobicContact CD1-CG1 4.22Å |
| 252 | A | 75.8 | Confident | 77.8 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.8 | -36.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y229 A248 I249 R250 V255 T256 | Y229-A252 HydrophobicContact CD1-CB 4.04Å; Y229-A252 HydrophobicContact CE1-CB 3.19Å; A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.9Å; A248-A252 VanDerWaalsContact O-N 3.08Å; I249-A252 PolarHBondContact O-N 3.38Å; R250-A252 VanDerWaalsContact C-N 3.32Å; R250-A252 PolarHBondContact O-N 2.87Å; A252-V255 PolarHBondContact O-N 3.28Å; A252-T256 PolarHBondContact O-N 2.87Å; A252-T256 VanDerWaalsContact O-N 3.08Å; A252-T256 PolarHBondContact O-OG1 3.4Å |
| 253 | L | 79.8 | Confident | 79.1 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 168.9 | -75.6 | 170.4 | 0 | 0 | 0 | 111.7 | Y229 V233 I249 V255 T256 I257 | Y229-L253 HydrophobicContact CG-CD2 4.47Å; V233-L253 HydrophobicContact CG2-CD1 3.92Å; V233-L253 HydrophobicContact CG2-CD2 4.11Å; V233-L253 HydrophobicContact CG2-CG 4.47Å; I249-L253 HydrophobicContact CG2-CD1 4.09Å; I249-L253 HydrophobicContact CG2-CG 4.46Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.33Å; L253-V255 PolarHBondContact O-N 3.48Å; L253-T256 WeakPolarHBondContact O-CB 3.39Å; L253-T256 PolarHBondContact O-N 3.21Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.84Å |
| 254 | L | 83.6 | Confident | 80.4 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.4 | -75.1 | 170.6 | 0 | 0 | 0 | 112.1 | R250 L251 T256 I257 V258 L313 V317 | R250-L254 HydrophobicContact CG-CD1 4.08Å; R250-L254 WeakPolarHBondContact O-CB 3.42Å; R250-L254 VanDerWaalsContact O-CG 3.31Å; R250-L254 WeakPolarHBondContact O-CG 3.34Å; R250-L254 PolarHBondContact O-N 3.44Å; L251-L254 PolarHBondContact O-N 2.03Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.12Å; L254-I257 PolarHBondContact O-N 3.25Å; L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.3Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-L313 HydrophobicContact CB-CD2 4.26Å; L254-V317 HydrophobicContact CD1-CG1 4Å; L254-V317 HydrophobicContact CD1-CG2 3.97Å |
| 255 | V | 82 | Confident | 81.9 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 111 | L133 L251 A252 L253 V258 F259 L313 Y314 | L133-V255 HydrophobicContact CD2-CG1 3.71Å; L251-V255 HydrophobicContact CD1-CG2 4.28Å; L251-V255 VanDerWaalsContact O-CG2 3.32Å; L251-V255 WeakPolarHBondContact O-CG2 3.06Å; L251-V255 PolarHBondContact O-N 3.49Å; A252-V255 PolarHBondContact O-N 3.28Å; L253-V255 PolarHBondContact O-N 3.48Å; V255-V258 PolarHBondContact O-N 3.22Å; V255-F259 WeakPolarHBondContact O-CB 3.44Å; V255-F259 PolarHBondContact O-N 3.03Å; V255-L313 HydrophobicContact CB-CD1 4.49Å; V255-L313 HydrophobicContact CG2-CD1 3.85Å; V255-Y314 HydrophobicContact CG2-CE1 4.03Å |
| 256 | T | 83.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 177.5 | -50.3 | 0 | 0 | 0 | 0 | 112 | M225 Y229 A252 L253 L254 V258 F259 C260 | M225-T256 HydrophobicContact CB-CG2 4.18Å; M225-T256 HydrophobicContact CE-CG2 4.49Å; Y229-T256 HydrophobicContact CD2-CG2 4.06Å; Y229-T256 WeakPolarHBondContact CD2-OG1 3.39Å; Y229-T256 HydrophobicContact CE2-CG2 4.32Å; Y229-T256 WeakPolarHBondContact CE2-OG1 3.3Å; A252-T256 PolarHBondContact O-N 2.87Å; A252-T256 VanDerWaalsContact O-N 3.08Å; A252-T256 PolarHBondContact O-OG1 3.4Å; L253-T256 WeakPolarHBondContact O-CB 3.39Å; L253-T256 PolarHBondContact O-N 3.21Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.12Å; T256-V258 VanDerWaalsContact C-N 3.33Å; T256-V258 PolarHBondContact O-N 3.08Å; T256-F259 PolarHBondContact O-N 3.4Å; T256-C260 PolarHBondContact O-N 3.01Å; T256-C260 PolarHBondContact O-SG 3.46Å |
| 257 | I | 86.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 38.2 Ų | 38.2 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.4 | -69.1 | 165.4 | 0 | 0 | 0 | 110 | L253 L254 C260 V261 | L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.84Å; L254-I257 PolarHBondContact O-N 3.25Å; I257-C260 PolarHBondContact O-N 2.76Å; I257-V261 HydrophobicContact CG2-CG2 4.2Å; I257-V261 WeakPolarHBondContact O-CB 3.16Å; I257-V261 VanDerWaalsContact O-CG2 3.3Å; I257-V261 WeakPolarHBondContact O-CG2 3.21Å; I257-V261 PolarHBondContact O-N 3Å |
| 258 | V | 88.4 | Confident | 84.7 | Confident | 27 Ų | 27 | 41.1 Ų | 41.1 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L254 V255 T256 C260 V261 C262 L309 L313 | L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.3Å; L254-V258 PolarHBondContact O-N 2.91Å; V255-V258 PolarHBondContact O-N 3.22Å; T256-V258 VanDerWaalsContact C-N 3.33Å; T256-V258 PolarHBondContact O-N 3.08Å; V258-C260 PolarHBondContact O-N 3.03Å; V258-V261 PolarHBondContact O-N 3.17Å; V258-C262 WeakPolarHBondContact O-CB 3.34Å; V258-C262 PolarHBondContact O-N 3.08Å; V258-C262 PolarHBondContact O-SG 2.85Å; V258-L309 HydrophobicContact CG1-CB 3.96Å; V258-L309 HydrophobicContact CG1-CD1 3.67Å; V258-L309 HydrophobicContact CG1-CG 4.49Å; V258-L313 HydrophobicContact CB-CD1 4.07Å; V258-L313 HydrophobicContact CG1-CD1 4.31Å; V258-L313 HydrophobicContact CG2-CD1 3.92Å; V258-L313 HydrophobicContact CG2-CD2 4.45Å |
| 259 | F | 85.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 173.1 | 178.9 | -100.2 | 0 | 0 | 0 | 112.2 | L133 F218 M225 V255 T256 W263 H306 | L133-F259 HydrophobicContact CD1-CB 4.34Å; L133-F259 HydrophobicContact CD1-CD2 3.18Å; L133-F259 HydrophobicContact CD1-CE2 3.54Å; L133-F259 HydrophobicContact CD1-CG 3.9Å; L133-F259 HydrophobicContact CD1-CZ 4.47Å; F218-F259 AromaticContact CD2-CE1 3.74Å; F218-F259 HydrophobicContact CD2-CE1 3.74Å; F218-F259 AromaticContact CD2-CZ 3.53Å; F218-F259 HydrophobicContact CD2-CZ 3.53Å; F218-F259 HydrophobicContact CE2-CD1 4.13Å; F218-F259 AromaticContact CE2-CE1 3.31Å; F218-F259 HydrophobicContact CE2-CE1 3.31Å; F218-F259 HydrophobicContact CE2-CE2 4.42Å; F218-F259 AromaticContact CE2-CZ 3.51Å; F218-F259 HydrophobicContact CE2-CZ 3.51Å; F218-F259 HydrophobicContact CZ-CE1 4.21Å; M225-F259 HydrophobicContact CE-CD1 3.31Å; M225-F259 HydrophobicContact CE-CE1 3.53Å; M225-F259 HydrophobicContact CE-CG 3.97Å; M225-F259 HydrophobicContact CE-CZ 4.36Å; V255-F259 WeakPolarHBondContact O-CB 3.44Å; V255-F259 PolarHBondContact O-N 3.03Å; T256-F259 PolarHBondContact O-N 3.4Å; F259-W263 AromaticContact CD2-CD1 3.4Å; F259-W263 VanDerWaalsContact CD2-CD1 3.4Å; F259-W263 HydrophobicContact CD2-CG 4.23Å; F259-W263 HydrophobicContact CE2-CB 4.46Å; F259-W263 AromaticContact CE2-CD1 3.58Å; F259-W263 HydrophobicContact CE2-CG 4.07Å; F259-W263 WeakPolarHBondContact O-CB 3.27Å; F259-W263 PolarHBondContact O-N 3.36Å; F259-H306 AromaticContact CD2-NE2 3.95Å |
| 260 | C | 87.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 177.1 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | L222 T256 I257 V258 C262 W263 L264 P265 | L222-C260 WeakPolarHBondContact CD1-SG 3.49Å; T256-C260 PolarHBondContact O-N 3.01Å; T256-C260 PolarHBondContact O-SG 3.46Å; I257-C260 PolarHBondContact O-N 2.76Å; V258-C260 PolarHBondContact O-N 3.03Å; C260-C262 VanDerWaalsContact C-N 3.28Å; C260-C262 PolarHBondContact O-N 3.31Å; C260-W263 PolarHBondContact O-N 3.17Å; C260-L264 WeakPolarHBondContact O-CA 3.37Å; C260-L264 WeakPolarHBondContact O-CB 3.44Å; C260-L264 PolarHBondContact O-N 3.36Å; C260-P265 WeakPolarHBondContact O-CD 3.23Å |
| 261 | V | 90.4 | Very high | 86.6 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -37.1 | -177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | I257 V258 P265 L302 | I257-V261 HydrophobicContact CG2-CG2 4.2Å; I257-V261 WeakPolarHBondContact O-CB 3.16Å; I257-V261 VanDerWaalsContact O-CG2 3.3Å; I257-V261 WeakPolarHBondContact O-CG2 3.21Å; I257-V261 PolarHBondContact O-N 3Å; V258-V261 PolarHBondContact O-N 3.17Å; V261-P265 VanDerWaalsContact O-CD 3.29Å; V261-P265 WeakPolarHBondContact O-CD 3.28Å; V261-P265 WeakPolarHBondContact O-CG 3.26Å; V261-L302 WeakPolarHBondContact O-CD2 3.49Å |
| 262 | C | 91.4 | Very high | 87 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.1 | -50.4 | 177.9 | -73.1 | 0 | 0 | 0 | 0 | 112.4 | V258 C260 L302 G303 H306 | V258-C262 WeakPolarHBondContact O-CB 3.34Å; V258-C262 PolarHBondContact O-N 3.08Å; V258-C262 PolarHBondContact O-SG 2.85Å; C260-C262 VanDerWaalsContact C-N 3.28Å; C260-C262 PolarHBondContact O-N 3.31Å; C262-L302 WeakPolarHBondContact CB-O 3Å; C262-L302 PolarHBondContact SG-O 3.19Å; C262-L302 VanDerWaalsContact SG-O 3.39Å; C262-G303 WeakPolarHBondContact O-CA 3.2Å; C262-G303 PolarHBondContact O-N 3.09Å; C262-H306 HydrophobicContact CB-CB 3.85Å |
| 263 | W | 90.5 | Very high | 87.3 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -99.9 | -29 | -165.4 | -71.5 | 101.8 | 0 | 0 | 0 | 114.9 | Y125 L126 F218 F259 C260 N266 N267 G303 H306 | Y125-W263 AromaticContact CE2-CH2 3.89Å; Y125-W263 HydrophobicContact CE2-CH2 3.89Å; Y125-W263 HydrophobicContact CE2-CZ2 4.35Å; L126-W263 HydrophobicContact CD2-CE3 4.28Å; L126-W263 HydrophobicContact CD2-CH2 3.35Å; L126-W263 HydrophobicContact CD2-CZ2 4.23Å; L126-W263 HydrophobicContact CD2-CZ3 3.37Å; F218-W263 HydrophobicContact CD2-CB 4.15Å; F218-W263 HydrophobicContact CE2-CB 3.47Å; F218-W263 VanDerWaalsContact CE2-CB 3.47Å; F218-W263 HydrophobicContact CZ-CB 4.23Å; F259-W263 AromaticContact CD2-CD1 3.4Å; F259-W263 VanDerWaalsContact CD2-CD1 3.4Å; F259-W263 HydrophobicContact CD2-CG 4.23Å; F259-W263 HydrophobicContact CE2-CB 4.46Å; F259-W263 AromaticContact CE2-CD1 3.58Å; F259-W263 HydrophobicContact CE2-CG 4.07Å; F259-W263 WeakPolarHBondContact O-CB 3.27Å; F259-W263 PolarHBondContact O-N 3.36Å; C260-W263 PolarHBondContact O-N 3.17Å; W263-N266 PolarHBondContact O-N 3.3Å; W263-N267 PolarHBondContact O-N 3.46Å; W263-N267 PolarHBondContact O-ND2 2.77Å; W263-G303 VanDerWaalsContact CZ2-O 3.3Å; W263-G303 WeakPolarHBondContact CZ2-O 3.5Å; W263-H306 AromaticContact NE1-CD2 3.94Å; W263-H306 AromaticContact NE1-CG 3.49Å; W263-H306 AromaticContact NE1-ND1 3.77Å |
| 264 | L | 90.3 | Very high | 87.5 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | -178.4 | -175.1 | 64.5 | 0 | 0 | 0 | 112.3 | F218 F219 C260 N266 N267 I268 | F218-L264 HydrophobicContact CE1-CD1 3.76Å; F218-L264 HydrophobicContact CZ-CB 4.1Å; F218-L264 HydrophobicContact CZ-CD1 4.09Å; F219-L264 HydrophobicContact CE1-CD1 4.37Å; C260-L264 WeakPolarHBondContact O-CA 3.37Å; C260-L264 WeakPolarHBondContact O-CB 3.44Å; C260-L264 PolarHBondContact O-N 3.36Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.49Å; L264-N267 PolarHBondContact O-N 3.43Å; L264-I268 HydrophobicContact CD1-CD1 4.28Å; L264-I268 HydrophobicContact CD1-CG1 4.44Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 WeakPolarHBondContact O-CG1 3.29Å; L264-I268 PolarHBondContact O-N 2.91Å |
| 265 | P | 92.6 | Very high | 87.5 | Confident | 40 Ų | 40 | 39.2 Ų | 39.2 | 26% | 0.26 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -42.4 | 177.2 | -25.3 | 36.6 | 0 | 0 | 0 | 112.2 | C260 V261 I268 T269 T299 L302 | C260-P265 WeakPolarHBondContact O-CD 3.23Å; V261-P265 VanDerWaalsContact O-CD 3.29Å; V261-P265 WeakPolarHBondContact O-CD 3.28Å; V261-P265 WeakPolarHBondContact O-CG 3.26Å; P265-I268 PolarHBondContact O-N 3.44Å; P265-T269 PolarHBondContact O-N 2.85Å; P265-T269 PolarHBondContact O-OG1 3.37Å; P265-T269 VanDerWaalsContact O-OG1 3.06Å; P265-T299 HydrophobicContact CB-CG2 3.46Å; P265-T299 VanDerWaalsContact CB-CG2 3.46Å; P265-L302 HydrophobicContact CG-CD2 4.21Å |
| 266 | N | 90.4 | Very high | 87.4 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 179.3 | -174.3 | 42.3 | 0 | 0 | 0 | 112.2 | W263 L264 I268 T269 S270 | W263-N266 PolarHBondContact O-N 3.3Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.49Å; N266-I268 VanDerWaalsContact C-N 3.29Å; N266-I268 PolarHBondContact O-N 3.4Å; N266-T269 WeakPolarHBondContact CA-OG1 3.42Å; N266-T269 PolarHBondContact O-N 2.85Å; N266-T269 PolarHBondContact O-OG1 2.9Å; N266-S270 WeakPolarHBondContact O-CB 3.49Å; N266-S270 PolarHBondContact O-N 3.29Å |
| 267 | N | 90.1 | Very high | 87.2 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | 177.5 | -78.1 | -89.7 | 0 | 0 | 0 | 111.4 | H215 F218 W263 L264 L271 | H215-N267 PolarHBondContact NE2-O 3.32Å; F218-N267 HydrophobicContact CD1-CB 4.16Å; F218-N267 WeakPolarHBondContact CD2-ND2 2.78Å; F218-N267 HydrophobicContact CE1-CB 4.24Å; F218-N267 WeakPolarHBondContact CG-ND2 3.09Å; W263-N267 PolarHBondContact O-N 3.46Å; W263-N267 PolarHBondContact O-ND2 2.77Å; L264-N267 PolarHBondContact O-N 3.43Å; N267-L271 WeakPolarHBondContact O-CB 3.33Å; N267-L271 PolarHBondContact O-N 3.46Å |
| 268 | I | 89.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 46% | 0.456 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -49.5 | 176.1 | -66.4 | 167.1 | 0 | 0 | 0 | 110.8 | L264 P265 N266 S270 L271 M272 | L264-I268 HydrophobicContact CD1-CD1 4.28Å; L264-I268 HydrophobicContact CD1-CG1 4.44Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 WeakPolarHBondContact O-CG1 3.29Å; L264-I268 PolarHBondContact O-N 2.91Å; P265-I268 PolarHBondContact O-N 3.44Å; N266-I268 VanDerWaalsContact C-N 3.29Å; N266-I268 PolarHBondContact O-N 3.4Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å; I268-L271 PolarHBondContact O-N 3.43Å; I268-M272 WeakPolarHBondContact O-CG 3.38Å; I268-M272 PolarHBondContact O-N 3.24Å |
| 269 | T | 88.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | P265 N266 M272 K273 A295 T299 | P265-T269 PolarHBondContact O-N 2.85Å; P265-T269 PolarHBondContact O-OG1 3.37Å; P265-T269 VanDerWaalsContact O-OG1 3.06Å; N266-T269 WeakPolarHBondContact CA-OG1 3.42Å; N266-T269 PolarHBondContact O-N 2.85Å; N266-T269 PolarHBondContact O-OG1 2.9Å; T269-M272 PolarHBondContact O-N 3.38Å; T269-K273 WeakPolarHBondContact O-CB 3.37Å; T269-K273 PolarHBondContact O-N 2.87Å; T269-A295 HydrophobicContact CG2-CB 3.94Å; T269-T299 HydrophobicContact CG2-CG2 3.95Å; T269-T299 PolarHBondContact OG1-OG1 3.43Å |
| 270 | S | 86.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.6 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | N266 I268 K273 T274 | N266-S270 WeakPolarHBondContact O-CB 3.49Å; N266-S270 PolarHBondContact O-N 3.29Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å; S270-K273 PolarHBondContact O-N 2.88Å; S270-T274 WeakPolarHBondContact O-CB 3.39Å; S270-T274 PolarHBondContact O-N 3.28Å; S270-T274 PolarHBondContact O-OG1 3.43Å |
| 271 | L | 87.6 | Confident | 85 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 173.4 | -177.2 | 62.5 | 0 | 0 | 0 | 111.1 | N267 I268 K273 T274 L275 | N267-L271 WeakPolarHBondContact O-CB 3.33Å; N267-L271 PolarHBondContact O-N 3.46Å; I268-L271 PolarHBondContact O-N 3.43Å; L271-K273 VanDerWaalsContact C-N 3.34Å; L271-K273 PolarHBondContact O-N 3.02Å; L271-T274 PolarHBondContact O-N 3.37Å; L271-L275 HydrophobicContact CG-CD1 4.3Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 2.89Å |
| 272 | M | 85.1 | Confident | 83.5 | Confident | 80 Ų | 80 | 59 Ų | 59 | 39% | 0.394 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 178.5 | -68.9 | -57.9 | 101.5 | 0 | 0 | 111.8 | I268 T269 T274 L275 A276 L292 | I268-M272 WeakPolarHBondContact O-CG 3.38Å; I268-M272 PolarHBondContact O-N 3.24Å; T269-M272 PolarHBondContact O-N 3.38Å; M272-T274 VanDerWaalsContact C-N 3.33Å; M272-T274 PolarHBondContact O-N 3.28Å; M272-L275 HydrophobicContact CE-CD1 3.62Å; M272-L275 PolarHBondContact O-N 3.31Å; M272-A276 PolarHBondContact O-N 2.97Å; M272-L292 HydrophobicContact CB-CD1 3.75Å; M272-L292 HydrophobicContact CB-CD2 4.21Å |
| 273 | K | 82.6 | Confident | 82 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.4 | -174.9 | 176.8 | 178.5 | 178.6 | 0 | 111.5 | T269 S270 L271 A276 E277 L292 | T269-K273 WeakPolarHBondContact O-CB 3.37Å; T269-K273 PolarHBondContact O-N 2.87Å; S270-K273 PolarHBondContact O-N 2.88Å; L271-K273 VanDerWaalsContact C-N 3.34Å; L271-K273 PolarHBondContact O-N 3.02Å; K273-A276 PolarHBondContact O-N 3.37Å; K273-E277 WeakPolarHBondContact CE-OE1 3.33Å; K273-E277 WeakPolarHBondContact O-CG 3.48Å; K273-E277 PolarHBondContact O-N 2.85Å; K273-L292 HydrophobicContact CB-CD2 4.4Å |
| 274 | T | 84 | Confident | 80.5 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178 | -54.8 | 0 | 0 | 0 | 0 | 112 | L208 R211 S270 L271 M272 A276 E277 L278 | L208-T274 HydrophobicContact CD1-CG2 3.51Å; R211-T274 WeakPolarHBondContact CD-OG1 3.45Å; R211-T274 PolarHBondContact NH1-OG1 3.14Å; S270-T274 WeakPolarHBondContact O-CB 3.39Å; S270-T274 PolarHBondContact O-N 3.28Å; S270-T274 PolarHBondContact O-OG1 3.43Å; L271-T274 PolarHBondContact O-N 3.37Å; M272-T274 VanDerWaalsContact C-N 3.33Å; M272-T274 PolarHBondContact O-N 3.28Å; T274-A276 VanDerWaalsContact C-N 3.33Å; T274-A276 PolarHBondContact O-N 3.38Å; T274-E277 PolarHBondContact O-N 3.34Å; T274-L278 HydrophobicContact CG2-CD1 4.15Å; T274-L278 WeakPolarHBondContact O-CB 3.41Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.28Å; T274-L278 PolarHBondContact O-N 2.84Å |
| 275 | L | 83.8 | Confident | 79.1 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.2 | -70 | 174 | 0 | 0 | 0 | 112.7 | L271 M272 E279 V280 V281 | L271-L275 HydrophobicContact CG-CD1 4.3Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 2.89Å; M272-L275 HydrophobicContact CE-CD1 3.62Å; M272-L275 PolarHBondContact O-N 3.31Å; L275-E279 PolarHBondContact O-N 2.84Å; L275-V280 HydrophobicContact CD2-CB 4.37Å; L275-V280 HydrophobicContact CD2-CG1 4.36Å; L275-V280 PolarHBondContact O-N 3.03Å; L275-V280 VanDerWaalsContact O-N 3.14Å; L275-V281 HydrophobicContact CB-CG2 4.28Å |
| 276 | A | 80.2 | Confident | 77.7 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M272 K273 T274 L278 E279 | M272-A276 PolarHBondContact O-N 2.97Å; K273-A276 PolarHBondContact O-N 3.37Å; T274-A276 VanDerWaalsContact C-N 3.33Å; T274-A276 PolarHBondContact O-N 3.38Å; A276-L278 VanDerWaalsContact C-N 3.29Å; A276-L278 PolarHBondContact O-N 3.36Å; A276-E279 PolarHBondContact O-N 2.84Å |
| 277 | E | 77.9 | Confident | 76.4 | Confident | 101 Ų | 101 | 75.5 Ų | 75.5 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65 | -29.9 | 175.5 | -74.3 | 171.3 | -167.3 | 0 | 0 | 112.9 | R211 K273 T274 E279 | R211-E277 IonicContact CZ-OE1 3.91Å; R211-E277 IonicContact CZ-OE2 3.37Å; R211-E277 IonicContact NH1-OE1 3.5Å; R211-E277 IonicContact NH1-OE2 2.67Å; R211-E277 PolarHBondContact NH1-OE2 3.27Å; R211-E277 IonicContact NH2-OE1 3.3Å; R211-E277 PolarHBondContact NH2-OE1 2.89Å; R211-E277 IonicContact NH2-OE2 3.23Å; R211-E277 PolarHBondContact NH2-OE2 3.06Å; K273-E277 WeakPolarHBondContact CE-OE1 3.33Å; K273-E277 WeakPolarHBondContact O-CG 3.48Å; K273-E277 PolarHBondContact O-N 2.85Å; T274-E277 PolarHBondContact O-N 3.34Å; E277-E279 VanDerWaalsContact C-N 3.26Å; E277-E279 PolarHBondContact O-N 3.29Å |
| 278 | L | 80.6 | Confident | 75.5 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 6.5 | 175.6 | -68.1 | 174.4 | 0 | 0 | 0 | 113.6 | L208 T274 A276 V280 | L208-L278 HydrophobicContact CD1-CD1 4.07Å; L208-L278 HydrophobicContact CD2-CD2 4.28Å; T274-L278 HydrophobicContact CG2-CD1 4.15Å; T274-L278 WeakPolarHBondContact O-CB 3.41Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.28Å; T274-L278 PolarHBondContact O-N 2.84Å; A276-L278 VanDerWaalsContact C-N 3.29Å; A276-L278 PolarHBondContact O-N 3.36Å; L278-V280 HydrophobicContact CB-CG2 3.94Å; L278-V280 PolarHBondContact O-N 3.4Å |
| 279 | E | 77.6 | Confident | 74.6 | Confident | 164 Ų | 164 | 79.2 Ų | 79.2 | 77% | 0.766 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 18.7 | -178.3 | -57.4 | -177.5 | 171.5 | 0 | 0 | 114.4 | L275 A276 E277 V281 | L275-E279 PolarHBondContact O-N 2.84Å; A276-E279 PolarHBondContact O-N 2.84Å; E277-E279 VanDerWaalsContact C-N 3.26Å; E277-E279 PolarHBondContact O-N 3.29Å; E279-V281 VanDerWaalsContact C-N 3.3Å |
| 280 | V | 76 | Confident | 73.8 | Confident | 101 Ų | 101 | 79.8 Ų | 79.8 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -72.5 | -30.1 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | L275 L278 | L275-V280 HydrophobicContact CD2-CB 4.37Å; L275-V280 HydrophobicContact CD2-CG1 4.36Å; L275-V280 PolarHBondContact O-N 3.03Å; L275-V280 VanDerWaalsContact O-N 3.14Å; L278-V280 HydrophobicContact CB-CG2 3.94Å; L278-V280 PolarHBondContact O-N 3.4Å |
| 281 | V | 69.9 | Low | 73.4 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -117.4 | 99.7 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | L275 E279 S283 | L275-V281 HydrophobicContact CB-CG2 4.28Å; E279-V281 VanDerWaalsContact C-N 3.3Å; V281-S283 PolarHBondContact O-N 2.8Å |
| 282 | T | 58.7 | Low | 73.2 | Confident | 110 Ų | 110 | 80.1 Ų | 80.1 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | trans | -72.9 | 114.4 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 283 | S | 58.5 | Low | 72.9 | Confident | 35 Ų | 35 | 77.9 Ų | 77.9 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | trans | -109.4 | 101.1 | 171.2 | -50.9 | 0 | 0 | 0 | 0 | 107.5 | V281 T285 | V281-S283 PolarHBondContact O-N 2.8Å; S283-T285 PolarHBondContact O-N 3.05Å | ||
| 284 | D | 59 | Low | 72.8 | Confident | 157 Ų | 157 | 77 Ų | 77 | 84% | 0.84 | 41% | 0.414 | S | S | * | . | trans | -74.2 | -4.4 | -178.4 | -59.7 | -29.3 | 0 | 0 | 0 | 112.7 | ||||
| 285 | T | 61.1 | Low | 72.9 | Confident | 84 Ų | 84 | 78.1 Ų | 78.1 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -115.9 | 152 | -178.3 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | S283 P288 | S283-T285 PolarHBondContact O-N 3.05Å; T285-P288 WeakPolarHBondContact O-CD 3.45Å; T285-P288 WeakPolarHBondContact OG1-CD 3.44Å; T285-P288 VanDerWaalsContact OG1-CG 3.32Å; T285-P288 WeakPolarHBondContact OG1-CG 3.43Å |
| 286 | C | 64.8 | Low | 73.1 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | -179.5 | -148.5 | 0 | 0 | 0 | 0 | 112.7 | C32 K289 Q290 | C32-C286 HydrophobicContact CB-CB 4.31Å; C32-C286 WeakPolarHBondContact CB-SG 3.35Å; C32-C286 WeakPolarHBondContact SG-CB 3.21Å; C32-C286 CovalentContact SG-SG 2.04Å; C32-C286 PolarHBondContact SG-SG 3.16Å; C286-K289 PolarHBondContact O-N 3.23Å; C286-K289 VanDerWaalsContact O-N 3.11Å; C286-Q290 PolarHBondContact O-N 2.87Å; C286-Q290 VanDerWaalsContact O-N 3.14Å |
| 287 | W | 62.7 | Low | 73.3 | Confident | 167 Ų | 167 | 76.4 Ų | 76.4 | 63% | 0.633 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.3 | -48.8 | -174.9 | 177.5 | -94.5 | 0 | 0 | 0 | 114.4 | K289 Q290 V291 | W287-K289 VanDerWaalsContact C-N 3.33Å; W287-K289 PolarHBondContact O-N 3.37Å; W287-Q290 PolarHBondContact O-N 3.43Å; W287-V291 HydrophobicContact CD2-CG2 4.14Å; W287-V291 HydrophobicContact CG-CG2 4.46Å; W287-V291 HydrophobicContact CZ2-CG2 4.13Å; W287-V291 WeakPolarHBondContact O-CB 3.46Å; W287-V291 VanDerWaalsContact O-CG2 3.29Å; W287-V291 WeakPolarHBondContact O-CG2 3.35Å; W287-V291 PolarHBondContact O-N 3.04Å |
| 288 | P | 70.4 | Confident | 73.8 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 177.3 | -23.5 | 34.6 | 0 | 0 | 0 | 113.9 | T285 L292 | T285-P288 WeakPolarHBondContact O-CD 3.45Å; T285-P288 WeakPolarHBondContact OG1-CD 3.44Å; T285-P288 VanDerWaalsContact OG1-CG 3.32Å; T285-P288 WeakPolarHBondContact OG1-CG 3.43Å; P288-L292 WeakPolarHBondContact O-CB 3.46Å; P288-L292 PolarHBondContact O-N 3.46Å; P288-L292 VanDerWaalsContact O-N 3.14Å |
| 289 | K | 70.7 | Confident | 74.3 | Confident | 130 Ų | 130 | 71 Ų | 71 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.6 | -41.9 | -179.4 | -67.2 | -175.3 | -179.6 | 179.4 | 0 | 111.3 | C286 W287 L292 A293 | C286-K289 PolarHBondContact O-N 3.23Å; C286-K289 VanDerWaalsContact O-N 3.11Å; W287-K289 VanDerWaalsContact C-N 3.33Å; W287-K289 PolarHBondContact O-N 3.37Å; K289-L292 PolarHBondContact O-N 3.28Å; K289-A293 PolarHBondContact O-N 2.94Å |
| 290 | Q | 72.2 | Confident | 75 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.6 | -46.2 | -179.9 | 179.3 | 166.8 | -17.2 | 0 | 0 | 112.9 | E35 C286 W287 L292 A293 Q294 | E35-Q290 VanDerWaalsContact C-NE2 3.29Å; E35-Q290 PolarHBondContact O-NE2 3.43Å; C286-Q290 PolarHBondContact O-N 2.87Å; C286-Q290 VanDerWaalsContact O-N 3.14Å; W287-Q290 PolarHBondContact O-N 3.43Å; Q290-L292 PolarHBondContact O-N 2.72Å; Q290-A293 PolarHBondContact O-N 3.38Å; Q290-A293 VanDerWaalsContact O-N 3.11Å; Q290-Q294 PolarHBondContact O-N 3.09Å |
| 291 | V | 78.4 | Confident | 75.7 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | W287 A295 | W287-V291 HydrophobicContact CD2-CG2 4.14Å; W287-V291 HydrophobicContact CG-CG2 4.46Å; W287-V291 HydrophobicContact CZ2-CG2 4.13Å; W287-V291 WeakPolarHBondContact O-CB 3.46Å; W287-V291 VanDerWaalsContact O-CG2 3.29Å; W287-V291 WeakPolarHBondContact O-CG2 3.35Å; W287-V291 PolarHBondContact O-N 3.04Å; V291-A295 WeakPolarHBondContact O-CB 3.25Å; V291-A295 PolarHBondContact O-N 2.99Å |
| 292 | L | 82.4 | Confident | 76.8 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 176 | -178.7 | 59.3 | 0 | 0 | 0 | 112.9 | M272 K273 P288 K289 Q290 A295 H296 | M272-L292 HydrophobicContact CB-CD1 3.75Å; M272-L292 HydrophobicContact CB-CD2 4.21Å; K273-L292 HydrophobicContact CB-CD2 4.4Å; P288-L292 WeakPolarHBondContact O-CB 3.46Å; P288-L292 PolarHBondContact O-N 3.46Å; P288-L292 VanDerWaalsContact O-N 3.14Å; K289-L292 PolarHBondContact O-N 3.28Å; Q290-L292 PolarHBondContact O-N 2.72Å; L292-A295 PolarHBondContact O-N 3.49Å; L292-H296 WeakPolarHBondContact O-CB 3.44Å; L292-H296 PolarHBondContact O-N 3.03Å |
| 293 | A | 79.6 | Confident | 78.3 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F39 K289 Q290 H296 T297 | F39-A293 HydrophobicContact CZ-CB 4.21Å; K289-A293 PolarHBondContact O-N 2.94Å; Q290-A293 PolarHBondContact O-N 3.38Å; Q290-A293 VanDerWaalsContact O-N 3.11Å; A293-H296 PolarHBondContact O-N 2.96Å; A293-T297 PolarHBondContact O-N 3.24Å; A293-T297 VanDerWaalsContact O-N 3.09Å; A293-T297 PolarHBondContact O-OG1 2.96Å |
| 294 | Q | 81.1 | Confident | 79.9 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -51 | 172.3 | -76.2 | 176 | -1.3 | 0 | 0 | 111.6 | F39 Q290 H296 T297 V298 | F39-Q294 HydrophobicContact CD2-CB 4.46Å; F39-Q294 HydrophobicContact CD2-CG 3.24Å; F39-Q294 HydrophobicContact CE2-CB 4.31Å; F39-Q294 HydrophobicContact CE2-CG 3.49Å; F39-Q294 VanDerWaalsContact CE2-CG 3.49Å; F39-Q294 HydrophobicContact CG-CG 4.29Å; Q290-Q294 PolarHBondContact O-N 3.09Å; Q294-H296 VanDerWaalsContact C-N 3.31Å; Q294-H296 PolarHBondContact O-N 3.41Å; Q294-T297 PolarHBondContact O-N 3.34Å; Q294-V298 WeakPolarHBondContact O-CG2 3.33Å; Q294-V298 PolarHBondContact O-N 3.2Å |
| 295 | A | 86.5 | Confident | 81.5 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T269 V291 L292 T297 V298 T299 | T269-A295 HydrophobicContact CG2-CB 3.94Å; V291-A295 WeakPolarHBondContact O-CB 3.25Å; V291-A295 PolarHBondContact O-N 2.99Å; L292-A295 PolarHBondContact O-N 3.49Å; A295-T297 VanDerWaalsContact C-N 3.35Å; A295-T297 PolarHBondContact O-N 2.84Å; A295-V298 PolarHBondContact O-N 3.47Å; A295-T299 WeakPolarHBondContact O-CB 3.17Å; A295-T299 VanDerWaalsContact O-CG2 3.28Å; A295-T299 WeakPolarHBondContact O-CG2 3.41Å; A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 3.03Å |
| 296 | H | 86.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 177.3 | -175.5 | -79.8 | 0 | 0 | 0 | 112.5 | L292 A293 Q294 V298 T299 E300 | L292-H296 WeakPolarHBondContact O-CB 3.44Å; L292-H296 PolarHBondContact O-N 3.03Å; A293-H296 PolarHBondContact O-N 2.96Å; Q294-H296 VanDerWaalsContact C-N 3.31Å; Q294-H296 PolarHBondContact O-N 3.41Å; H296-V298 PolarHBondContact O-N 2.89Å; H296-T299 WeakPolarHBondContact CA-OG1 3.48Å; H296-T299 PolarHBondContact O-OG1 3.04Å; H296-T299 VanDerWaalsContact O-OG1 3.11Å; H296-E300 WeakPolarHBondContact O-CB 3.29Å; H296-E300 PolarHBondContact O-N 2.88Å |
| 297 | T | 85.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 178.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | Y43 A293 Q294 A295 S301 | Y43-T297 HydrophobicContact CD2-CG2 3.68Å; Y43-T297 HydrophobicContact CE2-CG2 3.78Å; A293-T297 PolarHBondContact O-N 3.24Å; A293-T297 VanDerWaalsContact O-N 3.09Å; A293-T297 PolarHBondContact O-OG1 2.96Å; Q294-T297 PolarHBondContact O-N 3.34Å; A295-T297 VanDerWaalsContact C-N 3.35Å; A295-T297 PolarHBondContact O-N 2.84Å; T297-S301 WeakPolarHBondContact O-CB 3.41Å; T297-S301 PolarHBondContact O-N 3.35Å; T297-S301 PolarHBondContact O-OG 3.15Å |
| 298 | V | 88.9 | Confident | 85.5 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | -179 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | F42 F46 Q294 A295 H296 S301 L302 | F42-V298 HydrophobicContact CE1-CG2 4.15Å; F42-V298 HydrophobicContact CZ-CG2 4.34Å; F46-V298 HydrophobicContact CE1-CG2 4.11Å; F46-V298 HydrophobicContact CZ-CG2 4.44Å; Q294-V298 WeakPolarHBondContact O-CG2 3.33Å; Q294-V298 PolarHBondContact O-N 3.2Å; A295-V298 PolarHBondContact O-N 3.47Å; H296-V298 PolarHBondContact O-N 2.89Å; V298-S301 PolarHBondContact O-N 2.87Å; V298-L302 WeakPolarHBondContact O-CB 3.49Å; V298-L302 PolarHBondContact O-N 3.22Å |
| 299 | T | 91.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.4 | -34.3 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | P265 T269 A295 H296 L302 G303 | P265-T299 HydrophobicContact CB-CG2 3.46Å; P265-T299 VanDerWaalsContact CB-CG2 3.46Å; T269-T299 HydrophobicContact CG2-CG2 3.95Å; T269-T299 PolarHBondContact OG1-OG1 3.43Å; A295-T299 WeakPolarHBondContact O-CB 3.17Å; A295-T299 VanDerWaalsContact O-CG2 3.28Å; A295-T299 WeakPolarHBondContact O-CG2 3.41Å; A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 3.03Å; H296-T299 WeakPolarHBondContact CA-OG1 3.48Å; H296-T299 PolarHBondContact O-OG1 3.04Å; H296-T299 VanDerWaalsContact O-OG1 3.11Å; T299-L302 WeakPolarHBondContact O-CB 3.36Å; T299-L302 PolarHBondContact O-N 3.02Å; T299-G303 PolarHBondContact O-N 3.41Å |
| 300 | E | 90.3 | Very high | 87 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 29% | 0.29 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 170.9 | 180 | 173.8 | -150.3 | 0 | 0 | 110.8 | H296 L302 G303 V304 | H296-E300 WeakPolarHBondContact O-CB 3.29Å; H296-E300 PolarHBondContact O-N 2.88Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 2.94Å; E300-G303 CarbonylContact O-C 3.3Å; E300-G303 WeakPolarHBondContact O-CA 3.49Å; E300-G303 PolarHBondContact O-N 3.39Å; E300-V304 WeakPolarHBondContact O-CG2 3.36Å; E300-V304 PolarHBondContact O-N 3.04Å |
| 301 | S | 91.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | T297 V298 V304 S305 | T297-S301 WeakPolarHBondContact O-CB 3.41Å; T297-S301 PolarHBondContact O-N 3.35Å; T297-S301 PolarHBondContact O-OG 3.15Å; V298-S301 PolarHBondContact O-N 2.87Å; S301-V304 PolarHBondContact O-N 2.84Å; S301-S305 PolarHBondContact O-N 2.97Å; S301-S305 PolarHBondContact O-OG 2.89Å |
| 302 | L | 92.6 | Very high | 87.6 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 172.9 | -180 | 61.5 | 0 | 0 | 0 | 112 | V261 C262 P265 V298 T299 E300 S305 | V261-L302 WeakPolarHBondContact O-CD2 3.49Å; C262-L302 WeakPolarHBondContact CB-O 3Å; C262-L302 PolarHBondContact SG-O 3.19Å; C262-L302 VanDerWaalsContact SG-O 3.39Å; P265-L302 HydrophobicContact CG-CD2 4.21Å; V298-L302 WeakPolarHBondContact O-CB 3.49Å; V298-L302 PolarHBondContact O-N 3.22Å; T299-L302 WeakPolarHBondContact O-CB 3.36Å; T299-L302 PolarHBondContact O-N 3.02Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 2.94Å; L302-S305 WeakPolarHBondContact O-CB 3.31Å; L302-S305 PolarHBondContact O-N 3.11Å |
| 303 | G | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | C262 W263 T299 E300 S305 H306 | C262-G303 WeakPolarHBondContact O-CA 3.2Å; C262-G303 PolarHBondContact O-N 3.09Å; W263-G303 VanDerWaalsContact CZ2-O 3.3Å; W263-G303 WeakPolarHBondContact CZ2-O 3.5Å; T299-G303 PolarHBondContact O-N 3.41Å; E300-G303 CarbonylContact O-C 3.3Å; E300-G303 WeakPolarHBondContact O-CA 3.49Å; E300-G303 PolarHBondContact O-N 3.39Å; G303-S305 VanDerWaalsContact C-N 3.26Å; G303-S305 PolarHBondContact O-N 3.45Å; G303-H306 WeakPolarHBondContact O-CB 3.43Å; G303-H306 PolarHBondContact O-N 2.77Å; G303-H306 VanDerWaalsContact O-N 3.1Å |
| 304 | V | 91.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -34.6 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 112 | I54 L93 L97 E300 S301 H306 C307 | I54-V304 HydrophobicContact CD1-CG1 4.19Å; I54-V304 HydrophobicContact CG2-CG1 4.13Å; L93-V304 HydrophobicContact CD1-CG1 4.07Å; L93-V304 HydrophobicContact CD1-CG2 4.25Å; L93-V304 HydrophobicContact CD2-CG1 4.37Å; L93-V304 HydrophobicContact CG-CG1 4.45Å; L97-V304 HydrophobicContact CD1-CG1 4.25Å; L97-V304 HydrophobicContact CD2-CG1 3.47Å; L97-V304 VanDerWaalsContact CD2-CG1 3.47Å; L97-V304 HydrophobicContact CG-CG1 4.48Å; E300-V304 WeakPolarHBondContact O-CG2 3.36Å; E300-V304 PolarHBondContact O-N 3.04Å; S301-V304 PolarHBondContact O-N 2.84Å; V304-H306 PolarHBondContact O-N 3.26Å; V304-C307 PolarHBondContact O-N 3.5Å; V304-C307 PolarHBondContact O-SG 2.99Å |
| 305 | S | 92.3 | Very high | 86.7 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.2 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | I54 S301 L302 G303 C307 C308 L309 | I54-S305 VanDerWaalsContact CD1-OG 3.24Å; I54-S305 WeakPolarHBondContact CD1-OG 3.36Å; S301-S305 PolarHBondContact O-N 2.97Å; S301-S305 PolarHBondContact O-OG 2.89Å; L302-S305 WeakPolarHBondContact O-CB 3.31Å; L302-S305 PolarHBondContact O-N 3.11Å; G303-S305 VanDerWaalsContact C-N 3.26Å; G303-S305 PolarHBondContact O-N 3.45Å; S305-C307 PolarHBondContact O-N 2.89Å; S305-C307 VanDerWaalsContact O-N 3.15Å; S305-C308 PolarHBondContact O-N 3.06Å; S305-C308 PolarHBondContact O-SG 3.3Å; S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 3.44Å |
| 306 | H | 91.2 | Very high | 85.7 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.6 | -38.7 | 174.5 | 174.3 | -96.7 | 0 | 0 | 0 | 113.1 | F259 C262 W263 G303 V304 C308 L309 N310 | F259-H306 AromaticContact CD2-NE2 3.95Å; C262-H306 HydrophobicContact CB-CB 3.85Å; W263-H306 AromaticContact NE1-CD2 3.94Å; W263-H306 AromaticContact NE1-CG 3.49Å; W263-H306 AromaticContact NE1-ND1 3.77Å; G303-H306 WeakPolarHBondContact O-CB 3.43Å; G303-H306 PolarHBondContact O-N 2.77Å; G303-H306 VanDerWaalsContact O-N 3.1Å; V304-H306 PolarHBondContact O-N 3.26Å; H306-C308 VanDerWaalsContact C-N 3.27Å; H306-C308 PolarHBondContact O-N 3.29Å; H306-L309 PolarHBondContact O-N 3.43Å; H306-N310 PolarHBondContact CE1-ND2 3.01Å; H306-N310 PolarHBondContact ND1-ND2 3.3Å; H306-N310 PolarHBondContact NE2-OD1 3.18Å; H306-N310 PolarHBondContact O-N 2.93Å |
| 307 | C | 91.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -30.7 | -175.4 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | I54 N62 D90 L93 V304 S305 P311 | I54-C307 VanDerWaalsContact CG2-SG 3.53Å; N62-C307 PolarHBondContact ND2-O 2.9Å; D90-C307 HydrophobicContact CB-CB 3.94Å; L93-C307 HydrophobicContact CD2-CB 3.77Å; L93-C307 HydrophobicContact CG-CB 4.47Å; V304-C307 PolarHBondContact O-N 3.5Å; V304-C307 PolarHBondContact O-SG 2.99Å; S305-C307 PolarHBondContact O-N 2.89Å; S305-C307 VanDerWaalsContact O-N 3.15Å; C307-P311 WeakPolarHBondContact O-CD 3.42Å |
| 308 | C | 90.1 | Very high | 83.5 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -84.4 | -33.1 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | L57 S305 H306 N310 P311 F312 | L57-C308 HydrophobicContact CB-CB 3.96Å; S305-C308 PolarHBondContact O-N 3.06Å; S305-C308 PolarHBondContact O-SG 3.3Å; H306-C308 VanDerWaalsContact C-N 3.27Å; H306-C308 PolarHBondContact O-N 3.29Å; C308-N310 VanDerWaalsContact C-N 3.33Å; C308-N310 PolarHBondContact O-N 3Å; C308-P311 WeakPolarHBondContact O-CD 3.33Å; C308-F312 WeakPolarHBondContact O-CD2 3.13Å |
| 309 | L | 87.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 32.6 Ų | 32.6 | 34% | 0.34 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.5 | -33 | -179.7 | -64.7 | 175.8 | 0 | 0 | 0 | 113.2 | V258 S305 H306 F312 L313 | V258-L309 HydrophobicContact CG1-CB 3.96Å; V258-L309 HydrophobicContact CG1-CD1 3.67Å; V258-L309 HydrophobicContact CG1-CG 4.49Å; S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 3.44Å; H306-L309 PolarHBondContact O-N 3.43Å; L309-F312 WeakPolarHBondContact O-CB 3.2Å; L309-F312 PolarHBondContact O-N 3.23Å; L309-F312 VanDerWaalsContact O-N 3.16Å; L309-L313 WeakPolarHBondContact O-CG 3.27Å; L309-L313 PolarHBondContact O-N 2.98Å |
| 310 | N | 84.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.1 | -61 | 179.1 | -80.7 | -16.9 | 0 | 0 | 0 | 112.8 | D90 H306 C308 F312 L313 Y314 | D90-N310 PolarHBondContact OD2-ND2 2.99Å; H306-N310 PolarHBondContact CE1-ND2 3.01Å; H306-N310 PolarHBondContact ND1-ND2 3.3Å; H306-N310 PolarHBondContact NE2-OD1 3.18Å; H306-N310 PolarHBondContact O-N 2.93Å; C308-N310 VanDerWaalsContact C-N 3.33Å; C308-N310 PolarHBondContact O-N 3Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 2.67Å; N310-L313 PolarHBondContact O-N 3.45Å; N310-L313 VanDerWaalsContact O-N 3.14Å; N310-Y314 VanDerWaalsContact C-CD2 3.45Å; N310-Y314 HydrophobicContact CB-CE2 3.96Å; N310-Y314 WeakPolarHBondContact O-CD2 3.36Å; N310-Y314 WeakPolarHBondContact O-CE2 3.43Å; N310-Y314 PolarHBondContact O-N 3.2Å |
| 311 | P | 83.9 | Confident | 79.2 | Confident | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.2 | -39.7 | 173.1 | -29.2 | 33.2 | 0 | 0 | 0 | 114.7 | N62 M65 C307 C308 Y314 A315 | N62-P311 WeakPolarHBondContact OD1-CG 3.42Å; M65-P311 HydrophobicContact SD-CG 4.43Å; C307-P311 WeakPolarHBondContact O-CD 3.42Å; C308-P311 WeakPolarHBondContact O-CD 3.33Å; P311-Y314 PolarHBondContact O-N 3.31Å; P311-A315 VanDerWaalsContact O-CB 3.25Å; P311-A315 WeakPolarHBondContact O-CB 3.28Å; P311-A315 PolarHBondContact O-N 3.33Å |
| 312 | F | 79.6 | Confident | 78.1 | Confident | 90 Ų | 90 | 39 Ų | 39 | 40% | 0.395 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.9 | -75.6 | -76.3 | 0 | 0 | 0 | 111.4 | L57 C308 L309 N310 Y314 A315 F316 | L57-F312 HydrophobicContact CD2-CZ 4.34Å; C308-F312 WeakPolarHBondContact O-CD2 3.13Å; L309-F312 WeakPolarHBondContact O-CB 3.2Å; L309-F312 PolarHBondContact O-N 3.23Å; L309-F312 VanDerWaalsContact O-N 3.16Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 2.67Å; F312-Y314 VanDerWaalsContact C-N 3.29Å; F312-Y314 PolarHBondContact O-N 2.99Å; F312-A315 PolarHBondContact O-N 3.12Å; F312-F316 HydrophobicContact CB-CD2 4.43Å; F312-F316 HydrophobicContact CD1-CD2 4.06Å; F312-F316 AromaticContact CD1-CE2 3.64Å; F312-F316 HydrophobicContact CD1-CE2 3.64Å; F312-F316 HydrophobicContact CE1-CE2 4.25Å; F312-F316 WeakPolarHBondContact O-CB 3.24Å; F312-F316 VanDerWaalsContact O-CD2 3.28Å; F312-F316 WeakPolarHBondContact O-CD2 3.41Å; F312-F316 PolarHBondContact O-N 2.8Å |
| 313 | L | 79.4 | Confident | 77 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 176 | -68.5 | 174.6 | 0 | 0 | 0 | 111.1 | L251 L254 V255 V258 L309 N310 V317 G318 | L251-L313 HydrophobicContact CD1-CB 4.25Å; L254-L313 HydrophobicContact CB-CD2 4.26Å; V255-L313 HydrophobicContact CB-CD1 4.49Å; V255-L313 HydrophobicContact CG2-CD1 3.85Å; V258-L313 HydrophobicContact CB-CD1 4.07Å; V258-L313 HydrophobicContact CG1-CD1 4.31Å; V258-L313 HydrophobicContact CG2-CD1 3.92Å; V258-L313 HydrophobicContact CG2-CD2 4.45Å; L309-L313 WeakPolarHBondContact O-CG 3.27Å; L309-L313 PolarHBondContact O-N 2.98Å; N310-L313 PolarHBondContact O-N 3.45Å; N310-L313 VanDerWaalsContact O-N 3.14Å; L313-V317 WeakPolarHBondContact O-CA 3.2Å; L313-V317 WeakPolarHBondContact O-CB 3.41Å; L313-V317 PolarHBondContact O-N 3.48Å; L313-G318 PolarHBondContact O-N 3.09Å |
| 314 | Y | 74.9 | Confident | 75.8 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.6 | -37.4 | 179.2 | -58.1 | -52.6 | 0 | 0 | 0 | 113.2 | M65 L83 L251 V255 N310 P311 F312 G318 | M65-Y314 HydrophobicContact CE-CD2 3.61Å; M65-Y314 HydrophobicContact CE-CE2 3.89Å; M65-Y314 HydrophobicContact CE-CG 4.37Å; M65-Y314 HydrophobicContact SD-CD2 3.85Å; M65-Y314 HydrophobicContact SD-CE2 4.47Å; L83-Y314 HydrophobicContact CD1-CD1 4.35Å; L83-Y314 HydrophobicContact CD1-CE1 4.39Å; L83-Y314 HydrophobicContact CD2-CD1 4.19Å; L83-Y314 HydrophobicContact CD2-CD2 4.25Å; L83-Y314 HydrophobicContact CD2-CE1 3.53Å; L83-Y314 HydrophobicContact CD2-CE2 3.59Å; L83-Y314 VanDerWaalsContact CD2-OH 3.28Å; L83-Y314 WeakPolarHBondContact CD2-OH 3.44Å; L251-Y314 HydrophobicContact CD1-CD1 3.94Å; L251-Y314 HydrophobicContact CD1-CE1 4.2Å; L251-Y314 HydrophobicContact CD2-CD1 4Å; L251-Y314 HydrophobicContact CD2-CE1 4.3Å; L251-Y314 HydrophobicContact CG-CD1 4.39Å; L251-Y314 HydrophobicContact CG-CE1 4.43Å; V255-Y314 HydrophobicContact CG2-CE1 4.03Å; N310-Y314 VanDerWaalsContact C-CD2 3.45Å; N310-Y314 HydrophobicContact CB-CE2 3.96Å; N310-Y314 WeakPolarHBondContact O-CD2 3.36Å; N310-Y314 WeakPolarHBondContact O-CE2 3.43Å; N310-Y314 PolarHBondContact O-N 3.2Å; P311-Y314 PolarHBondContact O-N 3.31Å; F312-Y314 VanDerWaalsContact C-N 3.29Å; F312-Y314 PolarHBondContact O-N 2.99Å; Y314-G318 WeakPolarHBondContact O-CA 3.43Å; Y314-G318 PolarHBondContact O-N 2.92Å; Y314-G318 VanDerWaalsContact O-N 3.11Å |
| 315 | A | 70.2 | Confident | 74.7 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P311 F312 F321 R322 L325 | P311-A315 VanDerWaalsContact O-CB 3.25Å; P311-A315 WeakPolarHBondContact O-CB 3.28Å; P311-A315 PolarHBondContact O-N 3.33Å; F312-A315 PolarHBondContact O-N 3.12Å; A315-F321 HydrophobicContact CB-CD1 4.09Å; A315-F321 HydrophobicContact CB-CE1 4.06Å; A315-R322 VanDerWaalsContact O-CB 3.24Å; A315-R322 WeakPolarHBondContact O-CB 3.37Å; A315-R322 WeakPolarHBondContact O-CG 3.46Å; A315-L325 HydrophobicContact CB-CD2 4Å |
| 316 | F | 64.9 | Low | 73.6 | Confident | 150 Ų | 150 | 43.2 Ų | 43.2 | 66% | 0.658 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -95.7 | -33.1 | -173.5 | -70.7 | -83.2 | 0 | 0 | 0 | 112.9 | F312 | F312-F316 HydrophobicContact CB-CD2 4.43Å; F312-F316 HydrophobicContact CD1-CD2 4.06Å; F312-F316 AromaticContact CD1-CE2 3.64Å; F312-F316 HydrophobicContact CD1-CE2 3.64Å; F312-F316 HydrophobicContact CE1-CE2 4.25Å; F312-F316 WeakPolarHBondContact O-CB 3.24Å; F312-F316 VanDerWaalsContact O-CD2 3.28Å; F312-F316 WeakPolarHBondContact O-CD2 3.41Å; F312-F316 PolarHBondContact O-N 2.8Å |
| 317 | V | 63.5 | Low | 72.8 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -30.8 | -178.1 | -171 | 0 | 0 | 0 | 0 | 111.8 | L251 L254 L313 V319 | L251-V317 HydrophobicContact CB-CG1 4.1Å; L251-V317 HydrophobicContact CD1-CB 4.01Å; L251-V317 HydrophobicContact CD1-CG1 4.22Å; L254-V317 HydrophobicContact CD1-CG1 4Å; L254-V317 HydrophobicContact CD1-CG2 3.97Å; L313-V317 WeakPolarHBondContact O-CA 3.2Å; L313-V317 WeakPolarHBondContact O-CB 3.41Å; L313-V317 PolarHBondContact O-N 3.48Å; V317-V319 PolarHBondContact O-N 3.35Å |
| 318 | G | 62.6 | Low | 71.7 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 100.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L313 Y314 Q320 F321 R322 | L313-G318 PolarHBondContact O-N 3.09Å; Y314-G318 WeakPolarHBondContact O-CA 3.43Å; Y314-G318 PolarHBondContact O-N 2.92Å; Y314-G318 VanDerWaalsContact O-N 3.11Å; G318-Q320 PolarHBondContact O-N 3.17Å; G318-Q320 VanDerWaalsContact O-N 3.09Å; G318-F321 PolarHBondContact O-N 3.12Å; G318-R322 WeakPolarHBondContact O-CB 3.37Å; G318-R322 PolarHBondContact O-N 3.32Å | ||
| 319 | V | 60.6 | Low | 70.9 | Confident | 86 Ų | 86 | 52 Ų | 52 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.7 | -36.1 | -177.6 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | V317 N323 | V317-V319 PolarHBondContact O-N 3.35Å; V319-N323 VanDerWaalsContact O-CG 3.23Å; V319-N323 PolarHBondContact O-N 3.11Å; V319-N323 PolarHBondContact O-OD1 3.06Å |
| 320 | Q | 61.3 | Low | 70.1 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -79.7 | -42.1 | -176.8 | -171.2 | 160.3 | -6.1 | 0 | 0 | 113.5 | R77 G318 R322 N323 E324 | R77-Q320 VanDerWaalsContact CZ-NE2 3.35Å; G318-Q320 PolarHBondContact O-N 3.17Å; G318-Q320 VanDerWaalsContact O-N 3.09Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; Q320-N323 PolarHBondContact O-N 3.27Å; Q320-E324 WeakPolarHBondContact O-CG 3.39Å; Q320-E324 PolarHBondContact O-N 3.46Å |
| 321 | F | 57.9 | Low | 69.4 | Low | 31 Ų | 31 | 61.1 Ų | 61.1 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 176.4 | -174.5 | -89.4 | 0 | 0 | 0 | 110.6 | M65 I68 A315 G318 N323 E324 L325 | M65-F321 HydrophobicContact CB-CE2 4.21Å; M65-F321 HydrophobicContact CB-CZ 4.04Å; M65-F321 HydrophobicContact CG-CE2 3.87Å; M65-F321 HydrophobicContact CG-CZ 4.11Å; I68-F321 HydrophobicContact CD1-CE2 4.09Å; I68-F321 HydrophobicContact CD1-CZ 3.95Å; I68-F321 HydrophobicContact CG2-CE2 4.45Å; A315-F321 HydrophobicContact CB-CD1 4.09Å; A315-F321 HydrophobicContact CB-CE1 4.06Å; G318-F321 PolarHBondContact O-N 3.12Å; F321-N323 PolarHBondContact O-N 2.85Å; F321-E324 PolarHBondContact O-N 3.14Å; F321-L325 WeakPolarHBondContact O-CB 3.46Å; F321-L325 PolarHBondContact O-N 3.48Å |
| 322 | R | 68.6 | Low | 68.9 | Low | 108 Ų | 108 | 66.9 Ų | 66.9 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54 | -47.9 | 172.4 | -167.9 | 179.5 | 70 | -176.3 | 3.7 | 113 | A315 G318 Q320 E324 L325 L326 | A315-R322 VanDerWaalsContact O-CB 3.24Å; A315-R322 WeakPolarHBondContact O-CB 3.37Å; A315-R322 WeakPolarHBondContact O-CG 3.46Å; G318-R322 WeakPolarHBondContact O-CB 3.37Å; G318-R322 PolarHBondContact O-N 3.32Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; R322-E324 PolarHBondContact O-N 3.25Å; R322-L325 PolarHBondContact O-N 2.95Å; R322-L326 HydrophobicContact CG-CD1 4.06Å; R322-L326 WeakPolarHBondContact O-CB 3.16Å; R322-L326 VanDerWaalsContact O-CG 3.24Å; R322-L326 WeakPolarHBondContact O-CG 3.2Å; R322-L326 PolarHBondContact O-N 3.37Å |
| 323 | N | 68.4 | Low | 68 | Low | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | -177.7 | -71 | -4.5 | 0 | 0 | 0 | 112 | V319 Q320 F321 L326 H327 F341 | V319-N323 VanDerWaalsContact O-CG 3.23Å; V319-N323 PolarHBondContact O-N 3.11Å; V319-N323 PolarHBondContact O-OD1 3.06Å; Q320-N323 PolarHBondContact O-N 3.27Å; F321-N323 PolarHBondContact O-N 2.85Å; N323-L326 PolarHBondContact O-N 3.45Å; N323-H327 PolarHBondContact O-N 2.94Å; N323-F341 HydrophobicContact CB-CE2 4.22Å; N323-F341 HydrophobicContact CB-CZ 4.38Å |
| 324 | E | 67.1 | Low | 67.2 | Low | 54 Ų | 54 | 67.2 Ų | 67.2 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 176.6 | -63.4 | -70.6 | 172.3 | 0 | 0 | 111.9 | I68 R72 Q320 F321 R322 L326 H327 L328 | I68-E324 HydrophobicContact CG2-CB 4.41Å; R72-E324 IonicContact CZ-OE1 3.95Å; R72-E324 IonicContact CZ-OE2 3.16Å; R72-E324 IonicContact NE-OE1 3.07Å; R72-E324 IonicContact NH1-OE1 3.89Å; R72-E324 PolarHBondContact NH1-OE1 3.43Å; R72-E324 IonicContact NH2-OE1 3.44Å; R72-E324 PolarHBondContact NH2-OE1 3.03Å; Q320-E324 WeakPolarHBondContact O-CG 3.39Å; Q320-E324 PolarHBondContact O-N 3.46Å; F321-E324 PolarHBondContact O-N 3.14Å; R322-E324 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.46Å; E324-H327 PolarHBondContact O-N 3.45Å; E324-L328 PolarHBondContact O-N 3.49Å |
| 325 | L | 69 | Low | 66.3 | Low | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.3 | 176.3 | 60.9 | 0 | 0 | 0 | 111 | L64 I68 A315 F321 R322 L328 L329 | L64-L325 HydrophobicContact CD2-CD1 3.4Å; L64-L325 VanDerWaalsContact CD2-CD1 3.4Å; L64-L325 HydrophobicContact CG-CD1 4.24Å; I68-L325 HydrophobicContact CD1-CD1 4.39Å; A315-L325 HydrophobicContact CB-CD2 4Å; F321-L325 WeakPolarHBondContact O-CB 3.46Å; F321-L325 PolarHBondContact O-N 3.48Å; R322-L325 PolarHBondContact O-N 2.95Å; L325-L328 PolarHBondContact O-N 3.3Å; L325-L329 HydrophobicContact CD1-CD1 4.04Å; L325-L329 HydrophobicContact CD1-CG 4.21Å; L325-L329 HydrophobicContact CG-CD1 3.93Å; L325-L329 WeakPolarHBondContact O-CB 3.38Å; L325-L329 VanDerWaalsContact O-CG 3.28Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.14Å |
| 326 | L | 69.9 | Low | 65.7 | Low | 33 Ų | 33 | 81.2 Ų | 81.2 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.1 | -71.7 | 168.8 | 0 | 0 | 0 | 112.2 | R322 N323 E324 L328 L329 C330 F337 F341 | R322-L326 HydrophobicContact CG-CD1 4.06Å; R322-L326 WeakPolarHBondContact O-CB 3.16Å; R322-L326 VanDerWaalsContact O-CG 3.24Å; R322-L326 WeakPolarHBondContact O-CG 3.2Å; R322-L326 PolarHBondContact O-N 3.37Å; N323-L326 PolarHBondContact O-N 3.45Å; E324-L326 VanDerWaalsContact C-N 3.32Å; E324-L326 PolarHBondContact O-N 3.46Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 3Å; L326-L329 PolarHBondContact O-N 3.49Å; L326-C330 WeakPolarHBondContact O-CB 3.5Å; L326-C330 PolarHBondContact O-N 3.29Å; L326-C330 PolarHBondContact O-SG 3.41Å; L326-F337 HydrophobicContact CD2-CB 4.39Å; L326-F337 HydrophobicContact CD2-CD1 4.24Å; L326-F341 HydrophobicContact CB-CD2 3.99Å; L326-F341 HydrophobicContact CB-CE2 4.22Å; L326-F341 HydrophobicContact CD1-CD2 3.62Å; L326-F341 HydrophobicContact CD1-CE2 4.04Å; L326-F341 HydrophobicContact CG-CD2 4.42Å |
| 327 | H | 73.5 | Confident | 65.2 | Low | 110 Ų | 110 | 79.7 Ų | 79.7 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 173.4 | -104 | -151.4 | 0 | 0 | 0 | 112.8 | N323 E324 C330 R331 F341 | N323-H327 PolarHBondContact O-N 2.94Å; E324-H327 PolarHBondContact O-N 3.45Å; H327-C330 WeakPolarHBondContact O-CB 3.39Å; H327-C330 PolarHBondContact O-N 3.23Å; H327-R331 PolarHBondContact O-N 3.47Å; H327-F341 AromaticContact CD2-CE1 3.61Å; H327-F341 AromaticContact NE2-CE1 3.66Å |
| 328 | L | 69.1 | Low | 64.8 | Low | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.8 | -40.8 | 179.9 | -136.5 | 152.2 | 0 | 0 | 0 | 111.4 | I68 E324 L325 L326 C330 R331 L332 | I68-L328 HydrophobicContact CD1-CD1 4.37Å; I68-L328 HydrophobicContact CG1-CD1 3.57Å; E324-L328 PolarHBondContact O-N 3.49Å; L325-L328 PolarHBondContact O-N 3.3Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 3Å; L328-C330 VanDerWaalsContact C-N 3.34Å; L328-R331 PolarHBondContact O-N 3.41Å; L328-L332 HydrophobicContact CD2-CD1 3.68Å; L328-L332 HydrophobicContact CD2-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.29Å; L328-L332 PolarHBondContact O-N 3.37Å |
| 329 | L | 72.9 | Confident | 64.4 | Low | 54 Ų | 54 | 84.9 Ų | 84.9 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 172.7 | -71.7 | 170 | 0 | 0 | 0 | 112.3 | L325 L326 L332 G333 C334 | L325-L329 HydrophobicContact CD1-CD1 4.04Å; L325-L329 HydrophobicContact CD1-CG 4.21Å; L325-L329 HydrophobicContact CG-CD1 3.93Å; L325-L329 WeakPolarHBondContact O-CB 3.38Å; L325-L329 VanDerWaalsContact O-CG 3.28Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.14Å; L326-L329 PolarHBondContact O-N 3.49Å; L329-L332 PolarHBondContact O-N 3.21Å; L329-G333 PolarHBondContact O-N 3.03Å; L329-C334 WeakPolarHBondContact O-CB 3.45Å; L329-C334 PolarHBondContact O-N 3.14Å; L329-C334 VanDerWaalsContact O-N 3.14Å |
| 330 | C | 70.4 | Confident | 64.1 | Low | 30 Ų | 30 | 90.4 Ų | 90.4 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 171 | -81.2 | 0 | 0 | 0 | 0 | 111.8 | L326 H327 L328 L332 G333 C338 | L326-C330 WeakPolarHBondContact O-CB 3.5Å; L326-C330 PolarHBondContact O-N 3.29Å; L326-C330 PolarHBondContact O-SG 3.41Å; H327-C330 WeakPolarHBondContact O-CB 3.39Å; H327-C330 PolarHBondContact O-N 3.23Å; L328-C330 VanDerWaalsContact C-N 3.34Å; C330-L332 VanDerWaalsContact C-N 3.29Å; C330-L332 PolarHBondContact O-N 2.72Å; C330-G333 PolarHBondContact O-N 3.42Å; C330-C338 HydrophobicContact CB-CB 4.18Å; C330-C338 WeakPolarHBondContact CB-SG 3.34Å; C330-C338 WeakPolarHBondContact SG-CA 3Å; C330-C338 WeakPolarHBondContact SG-CB 2.96Å; C330-C338 CovalentContact SG-SG 2.04Å; C330-C338 PolarHBondContact SG-SG 2.95Å |
| 331 | R | 69.6 | Low | 63.8 | Low | 228 Ų | 228 | 88 Ų | 88 | 86% | 0.86 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.4 | -26.4 | 179.1 | -162.4 | 177.7 | -175.8 | -175.1 | 1 | 113 | H327 L328 G333 | H327-R331 PolarHBondContact O-N 3.47Å; L328-R331 PolarHBondContact O-N 3.41Å; R331-G333 VanDerWaalsContact C-N 3.29Å |
| 332 | L | 72.9 | Confident | 63.7 | Low | 127 Ų | 127 | 91.1 Ų | 91.1 | 67% | 0.665 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.3 | 175.1 | -70.1 | 166.3 | 0 | 0 | 0 | 113.5 | L328 L329 C330 | L328-L332 HydrophobicContact CD2-CD1 3.68Å; L328-L332 HydrophobicContact CD2-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.29Å; L328-L332 PolarHBondContact O-N 3.37Å; L329-L332 PolarHBondContact O-N 3.21Å; C330-L332 VanDerWaalsContact C-N 3.29Å; C330-L332 PolarHBondContact O-N 2.72Å |
| 333 | G | 61 | Low | 62.7 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 61% | 0.608 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 8.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | L329 C330 R331 S335 | L329-G333 PolarHBondContact O-N 3.03Å; C330-G333 PolarHBondContact O-N 3.42Å; R331-G333 VanDerWaalsContact C-N 3.29Å; G333-S335 VanDerWaalsContact C-N 3.28Å; G333-S335 PolarHBondContact O-N 3.18Å |
| 334 | C | 62.9 | Low | 61.9 | Low | 63 Ų | 63 | 93.7 Ų | 93.7 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | trans | -75.8 | 76.1 | 175.2 | -81 | 0 | 0 | 0 | 0 | 112 | L329 R336 F337 | L329-C334 WeakPolarHBondContact O-CB 3.45Å; L329-C334 PolarHBondContact O-N 3.14Å; L329-C334 VanDerWaalsContact O-N 3.14Å; C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.36Å; C334-F337 PolarHBondContact O-N 3.11Å | ||
| 335 | S | 55.1 | Low | 61.1 | Low | 84 Ų | 84 | 97.2 Ų | 97.2 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.5 | -35.2 | -174 | 179.1 | 0 | 0 | 0 | 0 | 114.8 | G333 F337 C338 | G333-S335 VanDerWaalsContact C-N 3.28Å; G333-S335 PolarHBondContact O-N 3.18Å; S335-F337 VanDerWaalsContact C-N 3.33Å; S335-F337 PolarHBondContact O-N 3.29Å; S335-C338 PolarHBondContact O-N 3.33Å |
| 336 | R | 59.2 | Low | 59.5 | Low | 230 Ų | 230 | 101.5 Ų | 101.5 | 87% | 0.868 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -29.8 | -177.6 | -73.9 | -174.3 | 177.2 | -179.3 | 0.1 | 114.2 | C334 | C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.36Å |
| 337 | F | 54.6 | Low | 58.2 | Low | 119 Ų | 119 | 110 Ų | 110 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -85.1 | -27.1 | 178.5 | -81.2 | -85.1 | 0 | 0 | 0 | 112.7 | L326 C334 S335 R340 F341 | L326-F337 HydrophobicContact CD2-CB 4.39Å; L326-F337 HydrophobicContact CD2-CD1 4.24Å; C334-F337 PolarHBondContact O-N 3.11Å; S335-F337 VanDerWaalsContact C-N 3.33Å; S335-F337 PolarHBondContact O-N 3.29Å; F337-R340 PolarHBondContact O-N 2.04Å; F337-F341 PolarHBondContact O-N 3.01Å |
| 338 | C | 55.3 | Low | 56.3 | Low | 34 Ų | 34 | 107.8 Ų | 107.8 | 23% | 0.23 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -69.6 | -36.6 | -177.6 | -137.5 | 0 | 0 | 0 | 0 | 112.7 | C330 S335 R340 F341 I342 | C330-C338 HydrophobicContact CB-CB 4.18Å; C330-C338 WeakPolarHBondContact CB-SG 3.34Å; C330-C338 WeakPolarHBondContact SG-CA 3Å; C330-C338 WeakPolarHBondContact SG-CB 2.96Å; C330-C338 CovalentContact SG-SG 2.04Å; C330-C338 PolarHBondContact SG-SG 2.95Å; S335-C338 PolarHBondContact O-N 3.33Å; C338-R340 PolarHBondContact O-N 3.26Å; C338-F341 PolarHBondContact O-N 3.28Å; C338-I342 WeakPolarHBondContact O-CG1 3.32Å; C338-I342 PolarHBondContact O-N 2.74Å; C338-I342 VanDerWaalsContact O-N 3.15Å |
| 339 | L | 53.4 | Low | 54.5 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -35.3 | 177.1 | -113.4 | 126.7 | 0 | 0 | 0 | 113.5 | K343 | L339-K343 WeakPolarHBondContact O-CB 3.08Å; L339-K343 PolarHBondContact O-N 3.24Å |
| 340 | R | 54.6 | Low | 52.6 | Low | 203 Ų | 203 | 119 Ų | 119 | 77% | 0.766 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.1 | -34.6 | 175.3 | -78.3 | -173.5 | 176 | 179.1 | -0.8 | 112.3 | F337 C338 A344 | F337-R340 PolarHBondContact O-N 2.04Å; C338-R340 PolarHBondContact O-N 3.26Å; R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 2.81Å; R340-A344 VanDerWaalsContact O-N 3.12Å |
| 341 | F | 54 | Low | 51 | Low | 30 Ų | 30 | 123 Ų | 123 | 13% | 0.132 | 63% | 0.625 | C | S | . | * | H | α-helix | trans | -67 | -45.8 | 178.7 | -170.9 | -103.7 | 0 | 0 | 0 | 112 | N323 L326 H327 F337 C338 K343 A344 Q345 | N323-F341 HydrophobicContact CB-CE2 4.22Å; N323-F341 HydrophobicContact CB-CZ 4.38Å; L326-F341 HydrophobicContact CB-CD2 3.99Å; L326-F341 HydrophobicContact CB-CE2 4.22Å; L326-F341 HydrophobicContact CD1-CD2 3.62Å; L326-F341 HydrophobicContact CD1-CE2 4.04Å; L326-F341 HydrophobicContact CG-CD2 4.42Å; H327-F341 AromaticContact CD2-CE1 3.61Å; H327-F341 AromaticContact NE2-CE1 3.66Å; F337-F341 PolarHBondContact O-N 3.01Å; C338-F341 PolarHBondContact O-N 3.28Å; F341-K343 VanDerWaalsContact C-N 3.34Å; F341-K343 PolarHBondContact O-N 2.85Å; F341-A344 PolarHBondContact O-N 2.97Å; F341-Q345 PolarHBondContact O-N 3.05Å |
| 342 | I | 55.9 | Low | 49.6 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.6 | -40.7 | 177.3 | -64 | 167.8 | 0 | 0 | 0 | 110.9 | C338 A344 Q345 N346 | C338-I342 WeakPolarHBondContact O-CG1 3.32Å; C338-I342 PolarHBondContact O-N 2.74Å; C338-I342 VanDerWaalsContact O-N 3.15Å; I342-A344 PolarHBondContact O-N 3.32Å; I342-Q345 PolarHBondContact O-N 2.86Å; I342-N346 PolarHBondContact O-N 2.91Å |
| 343 | K | 47.7 | Very low | 48 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 65% | 0.652 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.4 | -34.3 | 179.8 | -154 | 172.7 | -171.5 | 177.2 | 0 | 112.9 | L339 F341 | L339-K343 WeakPolarHBondContact O-CB 3.08Å; L339-K343 PolarHBondContact O-N 3.24Å; F341-K343 VanDerWaalsContact C-N 3.34Å; F341-K343 PolarHBondContact O-N 2.85Å |
| 344 | A | 53 | Low | 46.8 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 60% | 0.603 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.6 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R340 F341 I342 | R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 2.81Å; R340-A344 VanDerWaalsContact O-N 3.12Å; F341-A344 PolarHBondContact O-N 2.97Å; I342-A344 PolarHBondContact O-N 3.32Å |
| 345 | Q | 48.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.2 | -30.9 | 179.2 | -141.7 | 173.3 | 5.8 | 0 | 0 | 112.4 | F341 I342 G348 | F341-Q345 PolarHBondContact O-N 3.05Å; I342-Q345 PolarHBondContact O-N 2.86Å; Q345-G348 PolarHBondContact O-N 3.32Å |
| 346 | N | 35.8 | Very low | 44.3 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.4 | -18.7 | 177.9 | -82 | -8.4 | 0 | 0 | 0 | 114.5 | I342 G348 | I342-N346 PolarHBondContact O-N 2.91Å; N346-G348 VanDerWaalsContact C-N 3.3Å |
| 347 | Y | 42.8 | Very low | 43.1 | Very low | 211 Ų | 211 | 120.4 Ų | 120.4 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -8.9 | 173.8 | -98.9 | -88.1 | 0 | 0 | 0 | 114 | ||
| 348 | G | 33.9 | Very low | 42.1 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 0.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q345 N346 | Q345-G348 PolarHBondContact O-N 3.32Å; N346-G348 VanDerWaalsContact C-N 3.3Å |
| 349 | R | 31.6 | Very low | 41 | Very low | 210 Ų | 210 | 125.8 Ų | 125.8 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -104.4 | 118.4 | 173.2 | -89.5 | -175.2 | 175.1 | -179.8 | -1.7 | 109.2 | S351 | R349-S351 PolarHBondContact O-N 3.4Š|
| 350 | P | 33.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | trans | -61 | 126.6 | 161.8 | -9.6 | 24.4 | 0 | 0 | 0 | 107.3 | V352 | P350-V352 PolarHBondContact O-N 3.47Å; P350-V352 VanDerWaalsContact O-N 3.13Å | ||
| 351 | S | 34.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -61.4 | 109.4 | 167.1 | 47.5 | 0 | 0 | 0 | 0 | 108.5 | R349 | R349-S351 PolarHBondContact O-N 3.4Š| ||
| 352 | V | 41 | Very low | 38 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -88.7 | 106.9 | 165.2 | 177 | 0 | 0 | 0 | 0 | 106.9 | P350 | P350-V352 PolarHBondContact O-N 3.47Å; P350-V352 VanDerWaalsContact O-N 3.13Å | ||
| 353 | S | 39.2 | Very low | 36.8 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -147.4 | 119.8 | 170.8 | -166.2 | 0 | 0 | 0 | 0 | 101.2 | ||||
| 354 | D | 35.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | cis | -156.4 | 156.4 | 19.6 | -78.3 | -63.6 | 0 | 0 | 0 | 108.7 | ||||
| 355 | G | 32.6 | Very low | 35.7 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | 109.8 | 87.3 | 126.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 356 | T | 33.9 | Very low | 35.1 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 122.8 | 167.8 | -35.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 357 | T | 33.1 | Very low | 35 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -137.9 | 114.3 | 146.2 | 35.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 358 | S | 33.9 | Very low | 34.6 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -71 | 133.1 | -176.5 | -44.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 359 | N | 32.4 | Very low | 34.6 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -121.3 | 103.5 | 154.4 | -95.3 | -9.7 | 0 | 0 | 0 | 107.5 | ||||
| 360 | S | 34.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -115.4 | 98.2 | 170.4 | -46.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 361 | M | 32.9 | Very low | 34.9 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -83.1 | 120.3 | 164 | -170.8 | -177.9 | -92.5 | 0 | 0 | 106.7 | ||||
| 362 | V | 32.1 | Very low | 34.9 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -128.3 | 114.3 | 166.7 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 363 | M | 30.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 74% | 0.739 | 82% | 0.819 | S | S | * | * | trans | -91.1 | 135.3 | 166.5 | -90.7 | -131.4 | -69.9 | 0 | 0 | 109.3 | ||||
| 364 | Y | 42.2 | Very low | 33.9 | Very low | 287 Ų | 287 | 148.5 Ų | 148.5 | 100% | 1.125 | 84% | 0.837 | S | S | * | * | trans | 52.7 | 0 | 160.4 | -65.5 | -74.4 | 0 | 0 | 0 | 120.2 |
Retrieved 364 of 364 residues in 150.8 ms
(Link to these results)