| 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 | I | 35.6 | Very low | 28.5 | Very low | 229 Ų | 229 | 151 Ų | 151 | 100% | 1.174 | 85% | 0.851 | S | S | * | * | 0 | 110.3 | 0 | -67.3 | 167.6 | 0 | 0 | 0 | 106.7 | |||||
| 2 | Q | 27.3 | Very low | 28.3 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -95 | 110.9 | -166.3 | -167.6 | 172.1 | -0.7 | 0 | 0 | 107.1 | ||||
| 3 | A | 28.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -95.2 | 107.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | N5 | A3-N5 PolarHBondContact O-N 3.26Š| ||
| 4 | K | 29.1 | Very low | 28 | Very low | 202 Ų | 202 | 148.8 Ų | 148.8 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -80.9 | 104.6 | -176.3 | -164.4 | 178.1 | -172.7 | -178.2 | 0 | 108 | ||||
| 5 | N | 27.3 | Very low | 28 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 141 | 168.3 | -97.4 | -2.5 | 0 | 0 | 0 | 109.9 | A3 | A3-N5 PolarHBondContact O-N 3.26Š|
| 6 | P | 26.9 | Very low | 27.8 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 144.1 | -176.9 | 28.7 | -33.1 | 0 | 0 | 0 | 111.8 | ||
| 7 | P | 28.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 120.3 | 174.1 | 34 | -27 | 0 | 0 | 0 | 108.9 | ||
| 8 | G | 27.8 | Very low | 27.9 | Very low | 67 Ų | 67 | 142.2 Ų | 142.2 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 155.3 | 66.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | L | 27.8 | Very low | 27.9 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -172.4 | 41.2 | 156.9 | -135.8 | 86.3 | 0 | 0 | 0 | 112.9 | ||
| 10 | L | 27.5 | Very low | 28 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -136.3 | 17.6 | -170 | -99.1 | 173.5 | 0 | 0 | 0 | 117.2 | ||||
| 11 | L | 26.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 133 Ų | 133 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -132 | 70.3 | 177.7 | -70.7 | 169.8 | 0 | 0 | 0 | 112 | ||||
| 12 | L | 27.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | trans | -132.1 | 44.9 | 160.5 | -83.6 | 172.7 | 0 | 0 | 0 | 109.4 | ||||
| 13 | T | 27.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | trans | -125.7 | 9.4 | -177.1 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 14 | D | 23.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | trans | -124.7 | 58.9 | 174.6 | -75.7 | -47.4 | 0 | 0 | 0 | 111.8 | A16 | D14-A16 PolarHBondContact O-N 2.82Š| ||
| 15 | I | 28 | Very low | 31.3 | Very low | 142 Ų | 142 | 111.6 Ų | 111.6 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | trans | -84.2 | 101.8 | 153.5 | -61.6 | 177.8 | 0 | 0 | 0 | 105.5 | D17 | I15-D17 PolarHBondContact O-N 3.49Š| ||
| 16 | A | 25.3 | Very low | 32.5 | Very low | 84 Ų | 84 | 106.7 Ų | 106.7 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | trans | -46.9 | 129.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D14 V18 | D14-A16 PolarHBondContact O-N 2.82Å; A16-V18 PolarHBondContact O-N 3.25Å | ||
| 17 | D | 29 | Very low | 34 | Very low | 128 Ų | 128 | 103.4 Ų | 103.4 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | trans | -36 | 103 | 177.4 | -80.7 | -54.4 | 0 | 0 | 0 | 113.9 | I15 R275 | I15-D17 PolarHBondContact O-N 3.49Å; D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NH2 3.82Å; D17-R275 PolarHBondContact OD1-NH2 2.94Å | ||
| 18 | V | 28 | Very low | 35.4 | Very low | 122 Ų | 122 | 101.5 Ų | 101.5 | 74% | 0.739 | 57% | 0.573 | S | S | * | * | trans | -109.4 | 81.8 | 154.3 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | A16 T20 | A16-V18 PolarHBondContact O-N 3.25Å; V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 3.34Å | ||
| 19 | V | 29 | Very low | 37.2 | Very low | 55 Ų | 55 | 103.6 Ų | 103.6 | 33% | 0.333 | 57% | 0.568 | S | S | . | * | trans | -52.1 | 105.2 | 161.5 | 172.4 | 0 | 0 | 0 | 0 | 107 | R21 | V19-R21 HydrophobicContact CG1-CB 3.89Å; V19-R21 HydrophobicContact CG1-CG 4.36Å; V19-R21 PolarHBondContact O-N 3.17Å; V19-R21 VanDerWaalsContact O-O 3.07Å | ||
| 20 | T | 29.7 | Very low | 39 | Very low | 66 Ų | 66 | 97.4 Ų | 97.4 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -79.5 | 43.7 | 174.3 | -20.9 | 0 | 0 | 0 | 0 | 110.8 | V18 V187 | V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 3.34Å; T20-V187 HydrophobicContact CG2-CG1 4.42Å |
| 21 | R | 37.8 | Very low | 40.9 | Very low | 114 Ų | 114 | 90.9 Ų | 90.9 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -104.4 | 131.2 | 150.3 | -71 | 179.9 | 179 | 176.9 | 0.7 | 104.9 | V19 P23 | V19-R21 HydrophobicContact CG1-CB 3.89Å; V19-R21 HydrophobicContact CG1-CG 4.36Å; V19-R21 PolarHBondContact O-N 3.17Å; V19-R21 VanDerWaalsContact O-O 3.07Å; R21-P23 VanDerWaalsContact O-N 3.1Å |
| 22 | H | 39.6 | Very low | 43 | Very low | 87 Ų | 87 | 88 Ų | 88 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | trans | -46.5 | 124.5 | 179.7 | -164.5 | -80 | 0 | 0 | 0 | 109.6 | T24 C25 | H22-T24 PolarHBondContact CE1-OG1 2.75Å; H22-T24 WeakPolarHBondContact ND1-CB 3.48Å; H22-T24 PolarHBondContact ND1-N 3.44Å; H22-T24 PolarHBondContact ND1-OG1 3.45Å; H22-T24 PolarHBondContact O-N 2.97Å; H22-C25 WeakPolarHBondContact O-CB 3.21Å; H22-C25 PolarHBondContact O-N 3.33Å | ||
| 23 | P | 44.7 | Very low | 45.5 | Very low | 72 Ų | 72 | 85.3 Ų | 85.3 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -52.3 | -33.9 | -172.6 | 10.3 | -24.1 | 0 | 0 | 0 | 112.1 | R21 C25 F27 L86 | R21-P23 VanDerWaalsContact O-N 3.1Å; P23-C25 VanDerWaalsContact C-N 3.33Å; P23-C25 PolarHBondContact O-N 3.32Å; P23-F27 WeakPolarHBondContact O-CB 3.29Å; P23-F27 PolarHBondContact O-N 3.34Å; P23-L86 HydrophobicContact CB-CD2 3.39Å |
| 24 | T | 45.3 | Very low | 47.8 | Very low | 78 Ų | 78 | 81.2 Ų | 81.2 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -29.6 | 175.8 | -41.5 | 0 | 0 | 0 | 0 | 114.8 | H22 L28 | H22-T24 PolarHBondContact CE1-OG1 2.75Å; H22-T24 WeakPolarHBondContact ND1-CB 3.48Å; H22-T24 PolarHBondContact ND1-N 3.44Å; H22-T24 PolarHBondContact ND1-OG1 3.45Å; H22-T24 PolarHBondContact O-N 2.97Å; T24-L28 WeakPolarHBondContact O-CB 3.44Å; T24-L28 PolarHBondContact O-N 3.03Å |
| 25 | C | 50.1 | Low | 50.4 | Low | 37 Ų | 37 | 79.4 Ų | 79.4 | 25% | 0.25 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -82.4 | -40.5 | -177.4 | -161.1 | 0 | 0 | 0 | 0 | 111.4 | H22 P23 F27 L28 L29 C194 | H22-C25 WeakPolarHBondContact O-CB 3.21Å; H22-C25 PolarHBondContact O-N 3.33Å; P23-C25 VanDerWaalsContact C-N 3.33Å; P23-C25 PolarHBondContact O-N 3.32Å; C25-F27 VanDerWaalsContact C-N 3.32Å; C25-L28 PolarHBondContact O-N 3.01Å; C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3.15Å; C25-L29 VanDerWaalsContact O-N 3.11Å; C25-C194 VanDerWaalsContact SG-SG 3.62Å |
| 26 | N | 52.5 | Low | 53.1 | Low | 47 Ų | 47 | 77.7 Ų | 77.7 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 170.7 | -159.8 | 43.2 | 0 | 0 | 0 | 110.8 | L29 E30 L85 | N26-L29 PolarHBondContact O-N 3.13Å; N26-E30 WeakPolarHBondContact O-CB 3.35Å; N26-E30 PolarHBondContact O-N 3.05Å; N26-L85 WeakPolarHBondContact ND2-CD2 3.38Å |
| 27 | F | 57.9 | Low | 56 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | 172 | 173.3 | -100.2 | 0 | 0 | 0 | 112.6 | P23 C25 L29 E30 V31 I63 A82 L83 L86 | P23-F27 WeakPolarHBondContact O-CB 3.29Å; P23-F27 PolarHBondContact O-N 3.34Å; C25-F27 VanDerWaalsContact C-N 3.32Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.27Å; F27-E30 PolarHBondContact O-N 3.18Å; F27-V31 HydrophobicContact CD1-CG2 4.37Å; F27-V31 HydrophobicContact CD2-CG2 4.18Å; F27-V31 HydrophobicContact CE1-CG2 4.12Å; F27-V31 HydrophobicContact CE2-CG2 3.91Å; F27-V31 HydrophobicContact CG-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.89Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.9Å; F27-I63 HydrophobicContact CE2-CD1 4.05Å; F27-I63 HydrophobicContact CZ-CD1 3.57Å; F27-A82 HydrophobicContact CD2-CB 3.68Å; F27-A82 HydrophobicContact CE2-CB 3.91Å; F27-L83 HydrophobicContact CE2-CD2 3.67Å; F27-L83 HydrophobicContact CE2-CG 4.17Å; F27-L83 HydrophobicContact CZ-CD2 4.3Å; F27-L86 HydrophobicContact CB-CD1 3.81Å; F27-L86 HydrophobicContact CB-CG 4.37Å; F27-L86 HydrophobicContact CD2-CD1 3.34Å; F27-L86 HydrophobicContact CD2-CG 4.21Å; F27-L86 HydrophobicContact CE2-CD1 4.07Å; F27-L86 HydrophobicContact CG-CD1 3.73Å |
| 28 | L | 58.6 | Low | 58.7 | Low | 92 Ų | 92 | 70.3 Ų | 70.3 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | -179.9 | -160 | 91.4 | 0 | 0 | 0 | 112.1 | T24 C25 E32 C194 | T24-L28 WeakPolarHBondContact O-CB 3.44Å; T24-L28 PolarHBondContact O-N 3.03Å; C25-L28 PolarHBondContact O-N 3.01Å; L28-E32 WeakPolarHBondContact O-CB 3.38Å; L28-E32 PolarHBondContact O-N 2.96Å; L28-C194 HydrophobicContact CD2-CB 4.16Å |
| 29 | L | 64.1 | Low | 61.5 | Low | 112 Ų | 112 | 67 Ų | 67 | 59% | 0.586 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 176.2 | -78.4 | 168.3 | 0 | 0 | 0 | 112.2 | C25 N26 F27 E32 K33 | C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3.15Å; C25-L29 VanDerWaalsContact O-N 3.11Å; N26-L29 PolarHBondContact O-N 3.13Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.27Å; L29-E32 PolarHBondContact O-N 3.42Å; L29-K33 WeakPolarHBondContact O-CB 3.34Å; L29-K33 PolarHBondContact O-N 3.43Å |
| 30 | E | 65.8 | Low | 64.3 | Low | 42 Ų | 42 | 70 Ų | 70 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 178.3 | -157.6 | 66.1 | -155.3 | 0 | 0 | 111.2 | N26 F27 K33 D34 A82 | N26-E30 WeakPolarHBondContact O-CB 3.35Å; N26-E30 PolarHBondContact O-N 3.05Å; F27-E30 PolarHBondContact O-N 3.18Å; E30-K33 PolarHBondContact O-N 3.35Å; E30-K33 IonicContact OE1-NZ 2.59Å; E30-D34 WeakPolarHBondContact O-CB 3.31Å; E30-D34 PolarHBondContact O-N 2.98Å; E30-A82 HydrophobicContact CB-CB 4.03Å; E30-A82 HydrophobicContact CG-CB 4.29Å |
| 31 | V | 69.1 | Low | 66.9 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | F27 K33 D34 R35 W60 I63 A82 | F27-V31 HydrophobicContact CD1-CG2 4.37Å; F27-V31 HydrophobicContact CD2-CG2 4.18Å; F27-V31 HydrophobicContact CE1-CG2 4.12Å; F27-V31 HydrophobicContact CE2-CG2 3.91Å; F27-V31 HydrophobicContact CG-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.89Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.9Å; V31-K33 VanDerWaalsContact C-N 3.34Å; V31-D34 PolarHBondContact O-N 3.31Å; V31-R35 VanDerWaalsContact O-CB 3.3Å; V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.91Å; V31-W60 HydrophobicContact CG1-CZ2 4.1Å; V31-I63 HydrophobicContact CG2-CD1 4.18Å; V31-A82 HydrophobicContact CG2-CB 3.63Å |
| 32 | E | 70.4 | Confident | 69.2 | Low | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 177 | -170 | 60.4 | -147.9 | 0 | 0 | 111.7 | L28 L29 R35 L36 | L28-E32 WeakPolarHBondContact O-CB 3.38Å; L28-E32 PolarHBondContact O-N 2.96Å; L29-E32 PolarHBondContact O-N 3.42Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.32Å; E32-R35 IonicContact OE1-CZ 3.17Å; E32-R35 IonicContact OE1-NH1 2.62Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE2-NH1 2.78Å; E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 2.93Å |
| 33 | K | 78.3 | Confident | 71.3 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 174.3 | -175.3 | -176.7 | 174 | -169 | 0 | 111.8 | L29 E30 V31 R35 L36 D37 | L29-K33 WeakPolarHBondContact O-CB 3.34Å; L29-K33 PolarHBondContact O-N 3.43Å; E30-K33 PolarHBondContact O-N 3.35Å; E30-K33 IonicContact OE1-NZ 2.59Å; V31-K33 VanDerWaalsContact C-N 3.34Å; K33-R35 VanDerWaalsContact C-N 3.26Å; K33-R35 PolarHBondContact O-N 3.47Å; K33-L36 PolarHBondContact O-N 3.47Å; K33-D37 PolarHBondContact O-N 2.85Å |
| 34 | D | 76.9 | Confident | 73.2 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 176.1 | -77.5 | -15.9 | 0 | 0 | 0 | 111 | E30 V31 C38 W60 | E30-D34 WeakPolarHBondContact O-CB 3.31Å; E30-D34 PolarHBondContact O-N 2.98Å; V31-D34 PolarHBondContact O-N 3.31Å; D34-C38 WeakPolarHBondContact O-CB 3.39Å; D34-C38 PolarHBondContact O-N 3.41Å; D34-W60 HydrophobicContact CB-CH2 3.95Å; D34-W60 HydrophobicContact CB-CZ3 4.37Å |
| 35 | R | 79.1 | Confident | 74.7 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 42% | 0.415 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 172.9 | 178.8 | -176.7 | 174 | -124.7 | 0.4 | 111.9 | V31 E32 K33 D37 C38 V39 W60 | V31-R35 VanDerWaalsContact O-CB 3.3Å; V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.91Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.32Å; E32-R35 IonicContact OE1-CZ 3.17Å; E32-R35 IonicContact OE1-NH1 2.62Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE2-NH1 2.78Å; K33-R35 VanDerWaalsContact C-N 3.26Å; K33-R35 PolarHBondContact O-N 3.47Å; R35-D37 VanDerWaalsContact C-N 3.34Å; R35-C38 WeakPolarHBondContact O-CB 3.35Å; R35-C38 PolarHBondContact O-N 3.33Å; R35-V39 HydrophobicContact CG-CG2 4.46Å; R35-V39 VanDerWaalsContact O-CG2 3.31Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.91Å; R35-W60 HydrophobicContact CB-CD2 4.23Å; R35-W60 HydrophobicContact CB-CH2 4.21Å; R35-W60 HydrophobicContact CB-CZ2 3.69Å; R35-W60 HydrophobicContact CG-CD2 4.24Å; R35-W60 HydrophobicContact CG-CG 4.33Å; R35-W60 HydrophobicContact CG-CZ2 4.4Å |
| 36 | L | 83.1 | Confident | 75.9 | Confident | 107 Ų | 107 | 76.2 Ų | 76.2 | 56% | 0.56 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 179.5 | -72.8 | 170.6 | 0 | 0 | 0 | 111.6 | E32 K33 V39 R40 | E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 2.93Å; K33-L36 PolarHBondContact O-N 3.47Å; L36-V39 PolarHBondContact O-N 2.84Å; L36-R40 WeakPolarHBondContact O-CB 3.32Å; L36-R40 PolarHBondContact O-N 3.29Å |
| 37 | D | 86.1 | Confident | 77.1 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.1 | -86.4 | -34.6 | 0 | 0 | 0 | 112 | K33 R35 R40 K41 | K33-D37 PolarHBondContact O-N 2.85Å; R35-D37 VanDerWaalsContact C-N 3.34Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-R40 IonicContact OD1-CZ 2.8Å; D37-R40 IonicContact OD1-NE 2.91Å; D37-R40 IonicContact OD1-NH2 3.75Å; D37-R40 PolarHBondContact OD1-NH2 3.03Å; D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.37Å; D37-K41 VanDerWaalsContact O-N 3.08Å |
| 38 | C | 85.9 | Confident | 77.7 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.02 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.8 | -51.4 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 112 | D34 R35 R40 K41 L42 W60 C65 | D34-C38 WeakPolarHBondContact O-CB 3.39Å; D34-C38 PolarHBondContact O-N 3.41Å; R35-C38 WeakPolarHBondContact O-CB 3.35Å; R35-C38 PolarHBondContact O-N 3.33Å; C38-R40 PolarHBondContact O-N 3.39Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.12Å; C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.29Å; C38-W60 HydrophobicContact CB-CE3 3.66Å; C38-W60 HydrophobicContact CB-CZ3 4.1Å; C38-C65 WeakPolarHBondContact CA-SG 3.27Å; C38-C65 HydrophobicContact CB-CB 3.53Å; C38-C65 WeakPolarHBondContact CB-SG 3.41Å; C38-C65 VanDerWaalsContact SG-CA 3.54Å; C38-C65 WeakPolarHBondContact SG-CB 3.39Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 2.88Å |
| 39 | V | 86.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 32% | 0.321 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | -179.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | R35 L36 K43 | R35-V39 HydrophobicContact CG-CG2 4.46Å; R35-V39 VanDerWaalsContact O-CG2 3.31Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.91Å; L36-V39 PolarHBondContact O-N 2.84Å; V39-K43 HydrophobicContact CG1-CD 4.37Å; V39-K43 VanDerWaalsContact O-CG 3.31Å; V39-K43 WeakPolarHBondContact O-CG 3.19Å; V39-K43 PolarHBondContact O-N 3.17Å |
| 40 | R | 87.6 | Confident | 77.5 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 174.8 | -179.8 | 176.9 | 57.5 | 79.3 | 1 | 111.5 | L36 D37 C38 K43 E44 | L36-R40 WeakPolarHBondContact O-CB 3.32Å; L36-R40 PolarHBondContact O-N 3.29Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-R40 IonicContact OD1-CZ 2.8Å; D37-R40 IonicContact OD1-NE 2.91Å; D37-R40 IonicContact OD1-NH2 3.75Å; D37-R40 PolarHBondContact OD1-NH2 3.03Å; C38-R40 PolarHBondContact O-N 3.39Å; R40-K43 PolarHBondContact O-N 3.38Å; R40-E44 VanDerWaalsContact CG-OE1 3.31Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact NH1-OE1 3.87Å; R40-E44 PolarHBondContact NH1-OE1 3.04Å; R40-E44 VanDerWaalsContact NH1-OE1 3.09Å; R40-E44 IonicContact NH1-OE2 3.61Å; R40-E44 WeakPolarHBondContact O-CG 3.14Å; R40-E44 PolarHBondContact O-N 3.01Å |
| 41 | K | 85.6 | Confident | 77 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.3 | -74.4 | 179.4 | 171.6 | -166.3 | 0 | 112.5 | D37 C38 K43 E44 E45 | D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.37Å; D37-K41 VanDerWaalsContact O-N 3.08Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.12Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.45Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.26Å; K41-E44 VanDerWaalsContact O-N 3.08Å; K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.46Å |
| 42 | L | 85 | Confident | 76.5 | Confident | 25 Ų | 25 | 93.5 Ų | 93.5 | 13% | 0.131 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 179.2 | -66.8 | 177.3 | 0 | 0 | 0 | 112 | C38 E45 E46 | C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.29Å; L42-E45 PolarHBondContact O-N 2.84Å; L42-E46 WeakPolarHBondContact O-CB 3.2Å; L42-E46 VanDerWaalsContact O-CG 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 3.08Å |
| 43 | K | 84.6 | Confident | 76 | Confident | 136 Ų | 136 | 95.4 Ų | 95.4 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.8 | -37.7 | 174.2 | -75.1 | 177.3 | 179.2 | -175.6 | 0 | 113.2 | V39 R40 K41 E45 A47 | V39-K43 HydrophobicContact CG1-CD 4.37Å; V39-K43 VanDerWaalsContact O-CG 3.31Å; V39-K43 WeakPolarHBondContact O-CG 3.19Å; V39-K43 PolarHBondContact O-N 3.17Å; R40-K43 PolarHBondContact O-N 3.38Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.45Å; K43-E45 VanDerWaalsContact C-N 3.33Å; K43-A47 WeakPolarHBondContact O-CB 3.42Å; K43-A47 PolarHBondContact O-N 3.2Å; K43-A47 VanDerWaalsContact O-N 3.08Å |
| 44 | E | 83.8 | Confident | 75.7 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.4 | -71.4 | 167 | -170 | 0 | 0 | 110.5 | R40 K41 A47 A48 | R40-E44 VanDerWaalsContact CG-OE1 3.31Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact NH1-OE1 3.87Å; R40-E44 PolarHBondContact NH1-OE1 3.04Å; R40-E44 VanDerWaalsContact NH1-OE1 3.09Å; R40-E44 IonicContact NH1-OE2 3.61Å; R40-E44 WeakPolarHBondContact O-CG 3.14Å; R40-E44 PolarHBondContact O-N 3.01Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.26Å; K41-E44 VanDerWaalsContact O-N 3.08Å; E44-A47 PolarHBondContact O-N 3.4Å; E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.19Å |
| 45 | E | 78.3 | Confident | 76 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 36% | 0.36 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 175.8 | -71.3 | 173.8 | -172.3 | 0 | 0 | 112.7 | K41 L42 K43 A47 A48 G49 | K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.46Å; L42-E45 PolarHBondContact O-N 2.84Å; K43-E45 VanDerWaalsContact C-N 3.33Å; E45-A47 VanDerWaalsContact C-N 3.28Å; E45-A47 PolarHBondContact O-N 2.87Å; E45-A48 PolarHBondContact O-N 3.44Å; E45-G49 PolarHBondContact O-N 2.96Å; E45-G49 VanDerWaalsContact O-N 3.13Å |
| 46 | E | 75.6 | Confident | 76.2 | Confident | 142 Ų | 142 | 89.7 Ų | 89.7 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -34.4 | 174.4 | -78 | 177.9 | 170 | 0 | 0 | 112.4 | L42 A48 | L42-E46 WeakPolarHBondContact O-CB 3.2Å; L42-E46 VanDerWaalsContact O-CG 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 3.08Å; E46-A48 VanDerWaalsContact C-N 3.3Å |
| 47 | A | 76.9 | Confident | 76.3 | Confident | 93 Ų | 93 | 93.9 Ų | 93.9 | 77% | 0.769 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.3 | -18.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K43 E44 E45 | K43-A47 WeakPolarHBondContact O-CB 3.42Å; K43-A47 PolarHBondContact O-N 3.2Å; K43-A47 VanDerWaalsContact O-N 3.08Å; E44-A47 PolarHBondContact O-N 3.4Å; E45-A47 VanDerWaalsContact C-N 3.28Å; E45-A47 PolarHBondContact O-N 2.87Å |
| 48 | A | 70.9 | Confident | 76.3 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 73% | 0.727 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -98.2 | -16.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E44 E45 E46 | E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.19Å; E45-A48 PolarHBondContact O-N 3.44Å; E46-A48 VanDerWaalsContact C-N 3.3Å |
| 49 | G | 62.9 | Low | 76.3 | Confident | 44 Ų | 44 | 94.7 Ų | 94.7 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | trans | -89.7 | 136.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E45 | E45-G49 PolarHBondContact O-N 2.96Å; E45-G49 VanDerWaalsContact O-N 3.13Å | ||
| 50 | D | 55.6 | Low | 76.1 | Confident | 140 Ų | 140 | 94.1 Ų | 94.1 | 75% | 0.749 | 50% | 0.498 | S | S | * | . | trans | -80.2 | 147.1 | 168.2 | -166.4 | 25.6 | 0 | 0 | 0 | 110.1 | K52 | D50-K52 PolarHBondContact O-N 3.46Š| ||
| 51 | D | 55.5 | Low | 75.6 | Confident | 167 Ų | 167 | 90.4 Ų | 90.4 | 89% | 0.893 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -69.6 | 21.2 | -160.6 | -122.5 | -15.8 | 0 | 0 | 0 | 115.9 | ||
| 52 | K | 58.9 | Low | 74.8 | Confident | 191 Ų | 191 | 92 Ų | 92 | 83% | 0.83 | 50% | 0.5 | S | S | * | . | trans | -137.3 | 79.2 | -176.2 | -75.4 | -176.6 | 179.5 | 173.3 | 0 | 112.6 | D50 | D50-K52 PolarHBondContact O-N 3.46Š| ||
| 53 | E | 59.6 | Low | 74.2 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | trans | -137.9 | 128.5 | 169 | -76.8 | -179.9 | 152.5 | 0 | 0 | 112.3 | R68 | E53-R68 IonicContact OE2-CZ 3.68Å; E53-R68 IonicContact OE2-NE 4Å; E53-R68 IonicContact OE2-NH1 3.07Å; E53-R68 PolarHBondContact OE2-NH1 2.97Å; E53-R68 IonicContact OE2-NH2 3.48Å; E53-R68 PolarHBondContact OE2-NH2 3.46Å | ||
| 54 | S | 72.3 | Confident | 74.1 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 63% | 0.629 | 48% | 0.477 | S | S | * | . | trans | -81.5 | 121.2 | 175.3 | 42.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | G | 81.8 | Confident | 74.2 | Confident | 25 Ų | 25 | 82.7 Ų | 82.7 | 26% | 0.258 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 156.8 | -165.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A69 | G55-A69 CarbonylContact C-O 3.52Å; G55-A69 WeakPolarHBondContact CA-O 3.34Å |
| 56 | C | 84.8 | Confident | 74.7 | Confident | 7 Ų | 7 | 79 Ų | 79 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 130.8 | 177 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | R68 A69 C97 W102 | C56-R68 WeakPolarHBondContact O-CG 3.27Å; C56-A69 PolarHBondContact N-O 3.26Å; C56-A69 PolarHBondContact O-N 3Å; C56-A69 VanDerWaalsContact O-N 3.17Å; C56-C97 HydrophobicContact CB-CB 3.82Å; C56-C97 WeakPolarHBondContact CB-SG 3.37Å; C56-C97 PolarHBondContact N-SG 3.44Å; C56-C97 WeakPolarHBondContact SG-CA 3.42Å; C56-C97 WeakPolarHBondContact SG-CB 3.46Å; C56-C97 CovalentContact SG-SG 2.04Å; C56-C97 PolarHBondContact SG-SG 3.44Å; C56-W102 HydrophobicContact CB-CD2 3.89Å; C56-W102 VanDerWaalsContact CB-CE2 3.45Å; C56-W102 HydrophobicContact CB-CE3 4.49Å; C56-W102 HydrophobicContact CB-CG 4.29Å; C56-W102 HydrophobicContact CB-CH2 4.36Å; C56-W102 HydrophobicContact CB-CZ2 3.72Å |
| 57 | R | 85.2 | Confident | 75.2 | Confident | 195 Ų | 195 | 75.3 Ų | 75.3 | 74% | 0.736 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 146.7 | 174.8 | -63.9 | -171.8 | -138.7 | -132 | -0.1 | 111.1 | W102 | R57-W102 PolarHBondContact O-NE1 2.97Š|
| 58 | G | 85.1 | Confident | 75.6 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 142.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W66 | G58-W66 CarbonylContact C-O 3.52Å; G58-W66 WeakPolarHBondContact CA-O 3.28Å |
| 59 | T | 86.6 | Confident | 76.3 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 153.2 | -173.3 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | W66 | T59-W66 HydrophobicContact CG2-CB 4.33Å; T59-W66 PolarHBondContact N-O 3.27Å; T59-W66 PolarHBondContact O-N 3.48Å |
| 60 | W | 82.5 | Confident | 77.5 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.3 | 172.2 | 176.8 | -102 | 0 | 0 | 0 | 109.8 | V31 D34 R35 C38 N62 A64 C65 | V31-W60 HydrophobicContact CG1-CZ2 4.1Å; D34-W60 HydrophobicContact CB-CH2 3.95Å; D34-W60 HydrophobicContact CB-CZ3 4.37Å; R35-W60 HydrophobicContact CB-CD2 4.23Å; R35-W60 HydrophobicContact CB-CH2 4.21Å; R35-W60 HydrophobicContact CB-CZ2 3.69Å; R35-W60 HydrophobicContact CG-CD2 4.24Å; R35-W60 HydrophobicContact CG-CG 4.33Å; R35-W60 HydrophobicContact CG-CZ2 4.4Å; C38-W60 HydrophobicContact CB-CE3 3.66Å; C38-W60 HydrophobicContact CB-CZ3 4.1Å; W60-N62 VanDerWaalsContact NE1-CA 3.27Å; W60-N62 PolarHBondContact O-N 2.95Å; W60-A64 VanDerWaalsContact CE3-O 3.22Å; W60-C65 HydrophobicContact CE3-CB 4.02Å; W60-C65 HydrophobicContact CZ3-CB 4.13Å |
| 61 | D | 76.6 | Confident | 79 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | trans | -98.3 | 29.6 | -175.2 | 76.9 | -7.6 | 0 | 0 | 0 | 114 | I63 A64 W66 | D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.43Å; D61-I63 PolarHBondContact OD1-N 3.32Å; D61-A64 PolarHBondContact N-O 3.25Å; D61-A64 VanDerWaalsContact N-O 3.15Å; D61-A64 WeakPolarHBondContact OD1-CA 3.4Å; D61-A64 PolarHBondContact OD1-N 2.93Å; D61-A64 VanDerWaalsContact OD1-O 3.04Å; D61-W66 VanDerWaalsContact CG-NE1 3.28Å; D61-W66 PolarHBondContact OD2-NE1 3.38Å | ||
| 62 | N | 68.4 | Low | 80.4 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 74.5 | -15.8 | -174.2 | -51.5 | -59.6 | 0 | 0 | 0 | 115.8 | W60 | W60-N62 VanDerWaalsContact NE1-CA 3.27Å; W60-N62 PolarHBondContact O-N 2.95Å |
| 63 | I | 71.6 | Confident | 81.7 | Confident | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -134.4 | -27.1 | -177.8 | -162.4 | 79.5 | 0 | 0 | 0 | 113.4 | F27 V31 D61 P80 L83 I109 | F27-I63 HydrophobicContact CE2-CD1 4.05Å; F27-I63 HydrophobicContact CZ-CD1 3.57Å; V31-I63 HydrophobicContact CG2-CD1 4.18Å; D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.43Å; D61-I63 PolarHBondContact OD1-N 3.32Å; I63-P80 HydrophobicContact CG1-CG 4.29Å; I63-P80 WeakPolarHBondContact O-CG 3.45Å; I63-L83 HydrophobicContact CD1-CD1 4.49Å; I63-L83 HydrophobicContact CG1-CD1 4.08Å; I63-I109 HydrophobicContact CG2-CD1 3.97Å |
| 64 | A | 83.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | trans | -140.1 | 152.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W60 D61 I77 P80 I93 | W60-A64 VanDerWaalsContact CE3-O 3.22Å; D61-A64 PolarHBondContact N-O 3.25Å; D61-A64 VanDerWaalsContact N-O 3.15Å; D61-A64 WeakPolarHBondContact OD1-CA 3.4Å; D61-A64 PolarHBondContact OD1-N 2.93Å; D61-A64 VanDerWaalsContact OD1-O 3.04Å; A64-I77 HydrophobicContact CB-CD1 3.58Å; A64-P80 HydrophobicContact CB-CG 4.05Å; A64-I93 HydrophobicContact CB-CD1 4.49Å | ||
| 65 | C | 86 | Confident | 83.8 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.2 | 175.1 | -163.8 | 0 | 0 | 0 | 0 | 109.4 | C38 W60 | C38-C65 WeakPolarHBondContact CA-SG 3.27Å; C38-C65 HydrophobicContact CB-CB 3.53Å; C38-C65 WeakPolarHBondContact CB-SG 3.41Å; C38-C65 VanDerWaalsContact SG-CA 3.54Å; C38-C65 WeakPolarHBondContact SG-CB 3.39Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 2.88Å; W60-C65 HydrophobicContact CE3-CB 4.02Å; W60-C65 HydrophobicContact CZ3-CB 4.13Å |
| 66 | W | 87.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.4 | 172.9 | -61.8 | 95.2 | 0 | 0 | 0 | 108.7 | G58 T59 D61 V75 I77 I93 R95 W102 V105 | G58-W66 CarbonylContact C-O 3.52Å; G58-W66 WeakPolarHBondContact CA-O 3.28Å; T59-W66 HydrophobicContact CG2-CB 4.33Å; T59-W66 PolarHBondContact N-O 3.27Å; T59-W66 PolarHBondContact O-N 3.48Å; D61-W66 VanDerWaalsContact CG-NE1 3.28Å; D61-W66 PolarHBondContact OD2-NE1 3.38Å; W66-V75 HydrophobicContact CE3-CB 4.16Å; W66-V75 HydrophobicContact CE3-CG1 3.9Å; W66-V75 HydrophobicContact CZ3-CB 4.32Å; W66-V75 HydrophobicContact CZ3-CG1 4.16Å; W66-I77 HydrophobicContact CD2-CD1 4.23Å; W66-I77 HydrophobicContact CE3-CD1 4.18Å; W66-I77 HydrophobicContact CH2-CD1 3.69Å; W66-I77 HydrophobicContact CH2-CG1 3.79Å; W66-I77 HydrophobicContact CZ2-CD1 3.74Å; W66-I77 HydrophobicContact CZ2-CG1 4.31Å; W66-I77 HydrophobicContact CZ3-CD1 3.93Å; W66-I77 HydrophobicContact CZ3-CG1 3.97Å; W66-I93 HydrophobicContact CH2-CD1 4.33Å; W66-I93 HydrophobicContact CH2-CG1 4.13Å; W66-I93 HydrophobicContact CZ2-CD1 4.14Å; W66-I93 HydrophobicContact CZ2-CG1 4.45Å; W66-R95 HydrophobicContact CD2-CG 4.22Å; W66-R95 HydrophobicContact CE3-CB 4.03Å; W66-R95 HydrophobicContact CE3-CG 4.1Å; W66-R95 HydrophobicContact CH2-CB 4.04Å; W66-R95 HydrophobicContact CH2-CG 3.48Å; W66-R95 VanDerWaalsContact CH2-CG 3.48Å; W66-R95 HydrophobicContact CZ2-CB 4.5Å; W66-R95 HydrophobicContact CZ2-CG 3.58Å; W66-R95 HydrophobicContact CZ3-CB 3.77Å; W66-R95 HydrophobicContact CZ3-CG 3.74Å; W66-W102 HydrophobicContact CB-CH2 4.48Å; W66-W102 HydrophobicContact CB-CZ2 4.28Å; W66-V105 HydrophobicContact CZ2-CG2 4.04Å |
| 67 | D | 87.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | trans | -72.6 | 166.7 | 174.8 | -57.3 | -31.3 | 0 | 0 | 0 | 110 | W102 | D67-W102 WeakPolarHBondContact O-CH2 3.4Å; D67-W102 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 68 | R | 85.4 | Confident | 84.3 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | trans | -62.5 | 145.7 | 178.6 | -157.7 | 174.7 | -149.9 | -100.8 | 18.7 | 111.2 | E53 C56 | E53-R68 IonicContact OE2-CZ 3.68Å; E53-R68 IonicContact OE2-NE 4Å; E53-R68 IonicContact OE2-NH1 3.07Å; E53-R68 PolarHBondContact OE2-NH1 2.97Å; E53-R68 IonicContact OE2-NH2 3.48Å; E53-R68 PolarHBondContact OE2-NH2 3.46Å; C56-R68 WeakPolarHBondContact O-CG 3.27Å | ||
| 69 | A | 86 | Confident | 84.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 147.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G55 C56 E73 V75 C97 W102 | G55-A69 CarbonylContact C-O 3.52Å; G55-A69 WeakPolarHBondContact CA-O 3.34Å; C56-A69 PolarHBondContact N-O 3.26Å; C56-A69 PolarHBondContact O-N 3Å; C56-A69 VanDerWaalsContact O-N 3.17Å; A69-E73 WeakPolarHBondContact CA-OE2 3.42Å; A69-E73 HydrophobicContact CB-CB 4.3Å; A69-V75 HydrophobicContact CB-CG2 3.62Å; A69-C97 HydrophobicContact CB-CB 4.02Å; A69-W102 HydrophobicContact CB-CH2 3.52Å; A69-W102 HydrophobicContact CB-CZ2 4.25Å; A69-W102 HydrophobicContact CB-CZ3 4.13Å |
| 70 | E | 86.4 | Confident | 83.8 | Confident | 137 Ų | 137 | 55.4 Ų | 55.4 | 64% | 0.64 | 30% | 0.302 | S | S | * | . | trans | -80.5 | 162.4 | 175.1 | -65.7 | -172.9 | 179.1 | 0 | 0 | 112.1 | G72 E73 C97 | E70-G72 PolarHBondContact O-N 3.38Å; E70-E73 PolarHBondContact N-OE2 3.38Å; E70-E73 VanDerWaalsContact O-CB 3.26Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 3.03Å; E70-C97 WeakPolarHBondContact O-CB 3.38Å | ||
| 71 | F | 87.9 | Confident | 83.3 | Confident | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 124.6 | 178 | -70.9 | -55.6 | 0 | 0 | 0 | 111.7 | T98 | F71-T98 WeakPolarHBondContact CD1-O 3.5Å; F71-T98 WeakPolarHBondContact CE1-O 3.46Å |
| 72 | G | 83.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -3.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | E70 C97 | E70-G72 PolarHBondContact O-N 3.38Å; G72-C97 PolarHBondContact N-O 3.35Å |
| 73 | E | 87.4 | Confident | 82.7 | Confident | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | trans | -80 | 137.7 | 176.6 | -171.2 | 179.1 | -174 | 0 | 0 | 111.6 | A69 E70 N96 C97 | A69-E73 WeakPolarHBondContact CA-OE2 3.42Å; A69-E73 HydrophobicContact CB-CB 4.3Å; E70-E73 PolarHBondContact N-OE2 3.38Å; E70-E73 VanDerWaalsContact O-CB 3.26Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 3.03Å; E73-N96 PolarHBondContact O-OD1 3.21Å; E73-N96 VanDerWaalsContact O-OD1 3.1Å; E73-C97 PolarHBondContact O-N 3.43Å | ||
| 74 | T | 88.3 | Confident | 82.6 | Confident | 73 Ų | 73 | 57 Ų | 57 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.7 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | R95 | T74-R95 CarbonylContact C-O 3.57Å; T74-R95 WeakPolarHBondContact CA-O 3.49Å |
| 75 | V | 88.4 | Confident | 81.5 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.5 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | W66 A69 I77 S94 R95 W102 | W66-V75 HydrophobicContact CE3-CB 4.16Å; W66-V75 HydrophobicContact CE3-CG1 3.9Å; W66-V75 HydrophobicContact CZ3-CB 4.32Å; W66-V75 HydrophobicContact CZ3-CG1 4.16Å; A69-V75 HydrophobicContact CB-CG2 3.62Å; V75-I77 HydrophobicContact CG1-CG2 4.2Å; V75-S94 CarbonylContact O-C 3.19Å; V75-S94 WeakPolarHBondContact O-CA 3.36Å; V75-R95 PolarHBondContact N-O 2.9Å; V75-R95 PolarHBondContact O-N 3.15Å; V75-W102 HydrophobicContact CB-CH2 4.43Å; V75-W102 HydrophobicContact CB-CZ3 4.38Å; V75-W102 HydrophobicContact CG2-CH2 3.85Å; V75-W102 HydrophobicContact CG2-CZ3 4.1Å |
| 76 | T | 88.4 | Confident | 80.2 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.9 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | N92 I93 | T76-N92 HydrophobicContact CG2-CB 3.75Å; T76-I93 WeakPolarHBondContact CA-O 3.36Å |
| 77 | I | 87.3 | Confident | 79 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.5 | 178.9 | 61.7 | -179.2 | 0 | 0 | 0 | 110.6 | A64 W66 V75 N92 I93 | A64-I77 HydrophobicContact CB-CD1 3.58Å; W66-I77 HydrophobicContact CD2-CD1 4.23Å; W66-I77 HydrophobicContact CE3-CD1 4.18Å; W66-I77 HydrophobicContact CH2-CD1 3.69Å; W66-I77 HydrophobicContact CH2-CG1 3.79Å; W66-I77 HydrophobicContact CZ2-CD1 3.74Å; W66-I77 HydrophobicContact CZ2-CG1 4.31Å; W66-I77 HydrophobicContact CZ3-CD1 3.93Å; W66-I77 HydrophobicContact CZ3-CG1 3.97Å; V75-I77 HydrophobicContact CG1-CG2 4.2Å; I77-N92 WeakPolarHBondContact O-CA 3.37Å; I77-I93 HydrophobicContact CD1-CD1 4.01Å; I77-I93 HydrophobicContact CD1-CG1 4.12Å; I77-I93 HydrophobicContact CG1-CD1 3.95Å; I77-I93 HydrophobicContact CG1-CG1 3.5Å; I77-I93 PolarHBondContact N-O 2.93Å; I77-I93 PolarHBondContact O-N 3.43Å |
| 78 | P | 84.7 | Confident | 77.7 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 160.1 | 171.6 | 30.2 | -35 | 0 | 0 | 0 | 110.7 | G91 | P78-G91 CarbonylContact C-O 3.53Å |
| 79 | C | 82.2 | Confident | 76.8 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 132.4 | 173.6 | -70 | 0 | 0 | 0 | 0 | 110.4 | G91 C113 | C79-G91 PolarHBondContact N-O 2.83Å; C79-G91 PolarHBondContact SG-O 3.3Å; C79-C113 HydrophobicContact CB-CB 3.97Å; C79-C113 WeakPolarHBondContact CB-SG 3.18Å; C79-C113 WeakPolarHBondContact SG-CB 3.49Å; C79-C113 CovalentContact SG-SG 2.04Å; C79-C113 PolarHBondContact SG-SG 3.45Å |
| 80 | P | 79.9 | Confident | 76 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 142.6 | 176.9 | -31.3 | 34.3 | 0 | 0 | 0 | 112.6 | I63 A64 A82 L83 K84 | I63-P80 HydrophobicContact CG1-CG 4.29Å; I63-P80 WeakPolarHBondContact O-CG 3.45Å; A64-P80 HydrophobicContact CB-CG 4.05Å; P80-A82 PolarHBondContact O-N 3.02Å; P80-L83 HydrophobicContact CB-CD1 4.31Å; P80-L83 HydrophobicContact CB-CG 4.4Å; P80-L83 HydrophobicContact CG-CD1 4.06Å; P80-L83 WeakPolarHBondContact O-CA 3.26Å; P80-L83 PolarHBondContact O-N 3.06Å; P80-K84 PolarHBondContact O-N 3.19Å |
| 81 | R | 71.9 | Confident | 75.7 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.1 | -38.7 | -176.2 | -68.5 | 177.1 | -178.6 | 164.3 | 0.2 | 111.6 | L83 K84 L85 | R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.83Å; R81-K84 PolarHBondContact O-N 3.38Å; R81-L85 WeakPolarHBondContact O-CB 3.15Å; R81-L85 PolarHBondContact O-N 2.69Å |
| 82 | A | 65.3 | Low | 75.5 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F27 E30 V31 P80 L86 | F27-A82 HydrophobicContact CD2-CB 3.68Å; F27-A82 HydrophobicContact CE2-CB 3.91Å; E30-A82 HydrophobicContact CB-CB 4.03Å; E30-A82 HydrophobicContact CG-CB 4.29Å; V31-A82 HydrophobicContact CG2-CB 3.63Å; P80-A82 PolarHBondContact O-N 3.02Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.73Å |
| 83 | L | 67.8 | Low | 75.6 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.5 | -35.9 | 176.8 | -67.6 | 174.4 | 0 | 0 | 0 | 112 | F27 I63 P80 R81 L85 L86 F87 I109 C113 | F27-L83 HydrophobicContact CE2-CD2 3.67Å; F27-L83 HydrophobicContact CE2-CG 4.17Å; F27-L83 HydrophobicContact CZ-CD2 4.3Å; I63-L83 HydrophobicContact CD1-CD1 4.49Å; I63-L83 HydrophobicContact CG1-CD1 4.08Å; P80-L83 HydrophobicContact CB-CD1 4.31Å; P80-L83 HydrophobicContact CB-CG 4.4Å; P80-L83 HydrophobicContact CG-CD1 4.06Å; P80-L83 WeakPolarHBondContact O-CA 3.26Å; P80-L83 PolarHBondContact O-N 3.06Å; R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.83Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L86 PolarHBondContact O-N 2.9Å; L83-F87 HydrophobicContact CB-CD2 4.36Å; L83-F87 HydrophobicContact CD2-CD2 4.03Å; L83-F87 HydrophobicContact CD2-CE2 3.65Å; L83-F87 WeakPolarHBondContact O-CB 3.36Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 PolarHBondContact O-N 3.47Å; L83-I109 HydrophobicContact CD1-CD1 4.06Å; L83-I109 HydrophobicContact CD1-CG1 4.18Å; L83-C113 HydrophobicContact CB-CB 4.48Å; L83-C113 HydrophobicContact CD1-CB 4.09Å |
| 84 | K | 68.9 | Low | 75.7 | Confident | 100 Ų | 100 | 63 Ų | 63 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.1 | -176.3 | 171.3 | 173.1 | 161.7 | 0 | 111.9 | P80 R81 L86 S88 N90 | P80-K84 PolarHBondContact O-N 3.19Å; R81-K84 PolarHBondContact O-N 3.38Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-S88 VanDerWaalsContact O-CA 3.23Å; K84-S88 WeakPolarHBondContact O-CA 3.38Å; K84-S88 PolarHBondContact O-N 3.25Å; K84-N90 WeakPolarHBondContact CE-OD1 3.49Å; K84-N90 PolarHBondContact NZ-OD1 3.02Å |
| 85 | L | 61.3 | Low | 75.7 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | 176.7 | -170.5 | 68.7 | 0 | 0 | 0 | 112.2 | N26 R81 L83 | N26-L85 WeakPolarHBondContact ND2-CD2 3.38Å; R81-L85 WeakPolarHBondContact O-CB 3.15Å; R81-L85 PolarHBondContact O-N 2.69Å; L83-L85 VanDerWaalsContact C-N 3.34Å |
| 86 | L | 57.8 | Low | 75.8 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -81 | -42.4 | 179.1 | -75.2 | -176.3 | 0 | 0 | 0 | 113.6 | P23 F27 A82 L83 K84 | P23-L86 HydrophobicContact CB-CD2 3.39Å; F27-L86 HydrophobicContact CB-CD1 3.81Å; F27-L86 HydrophobicContact CB-CG 4.37Å; F27-L86 HydrophobicContact CD2-CD1 3.34Å; F27-L86 HydrophobicContact CD2-CG 4.21Å; F27-L86 HydrophobicContact CE2-CD1 4.07Å; F27-L86 HydrophobicContact CG-CD1 3.73Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.73Å; L83-L86 PolarHBondContact O-N 2.9Å; K84-L86 VanDerWaalsContact C-N 3.32Å |
| 87 | F | 63.7 | Low | 75.8 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -113.6 | -4.5 | -166.9 | -57.1 | -60.9 | 0 | 0 | 0 | 113.7 | L83 R89 C113 L115 | L83-F87 HydrophobicContact CB-CD2 4.36Å; L83-F87 HydrophobicContact CD2-CD2 4.03Å; L83-F87 HydrophobicContact CD2-CE2 3.65Å; L83-F87 WeakPolarHBondContact O-CB 3.36Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 PolarHBondContact O-N 3.47Å; F87-R89 PolarHBondContact O-N 3.36Å; F87-C113 WeakPolarHBondContact CD2-O 3.33Å; F87-L115 HydrophobicContact CD1-CB 4.16Å; F87-L115 HydrophobicContact CD1-CD1 3.45Å; F87-L115 VanDerWaalsContact CD1-CD1 3.45Å; F87-L115 HydrophobicContact CD1-CG 4.4Å; F87-L115 HydrophobicContact CE1-CB 3.95Å; F87-L115 HydrophobicContact CE1-CD1 3.64Å; F87-L115 HydrophobicContact CE1-CG 4.3Å |
| 88 | S | 59.7 | Low | 75.8 | Confident | 106 Ų | 106 | 61 Ų | 61 | 74% | 0.741 | 32% | 0.315 | S | S | * | . | trans | 48.9 | 25.3 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 114.7 | K84 | K84-S88 VanDerWaalsContact O-CA 3.23Å; K84-S88 WeakPolarHBondContact O-CA 3.38Å; K84-S88 PolarHBondContact O-N 3.25Å | ||
| 89 | R | 66.3 | Low | 75.8 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | trans | -101.6 | 135.9 | 176.4 | -87.2 | -173.5 | 161.8 | -175.8 | -5.5 | 110.6 | F87 | F87-R89 PolarHBondContact O-N 3.36Š| ||
| 90 | N | 69.6 | Low | 75.9 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 69% | 0.69 | 36% | 0.362 | S | S | * | . | trans | -100.9 | 121.1 | 169.4 | -63.9 | -40.4 | 0 | 0 | 0 | 107.8 | K84 | K84-N90 WeakPolarHBondContact CE-OD1 3.49Å; K84-N90 PolarHBondContact NZ-OD1 3.02Å | ||
| 91 | G | 78.3 | Confident | 76.1 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | trans | -154.5 | 166.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P78 C79 | P78-G91 CarbonylContact C-O 3.53Å; C79-G91 PolarHBondContact N-O 2.83Å; C79-G91 PolarHBondContact SG-O 3.3Å | ||
| 92 | N | 84.8 | Confident | 76.8 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138 | -179.2 | -66.9 | -1.6 | 0 | 0 | 0 | 109.2 | T76 I77 | T76-N92 HydrophobicContact CG2-CB 3.75Å; I77-N92 WeakPolarHBondContact O-CA 3.37Å |
| 93 | I | 86.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.7 | 173.3 | 58.9 | 175.2 | 0 | 0 | 0 | 108.6 | A64 W66 T76 I77 V105 I109 | A64-I93 HydrophobicContact CB-CD1 4.49Å; W66-I93 HydrophobicContact CH2-CD1 4.33Å; W66-I93 HydrophobicContact CH2-CG1 4.13Å; W66-I93 HydrophobicContact CZ2-CD1 4.14Å; W66-I93 HydrophobicContact CZ2-CG1 4.45Å; T76-I93 WeakPolarHBondContact CA-O 3.36Å; I77-I93 HydrophobicContact CD1-CD1 4.01Å; I77-I93 HydrophobicContact CD1-CG1 4.12Å; I77-I93 HydrophobicContact CG1-CD1 3.95Å; I77-I93 HydrophobicContact CG1-CG1 3.5Å; I77-I93 PolarHBondContact N-O 2.93Å; I77-I93 PolarHBondContact O-N 3.43Å; I93-V105 HydrophobicContact CB-CG1 3.84Å; I93-V105 HydrophobicContact CD1-CG1 4.37Å; I93-V105 HydrophobicContact CG2-CG1 4.3Å; I93-I109 HydrophobicContact CD1-CD1 3.85Å; I93-I109 HydrophobicContact CG2-CG1 4.44Å |
| 94 | S | 87.7 | Confident | 78.6 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.1 | -175.2 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | V75 F106 | V75-S94 CarbonylContact O-C 3.19Å; V75-S94 WeakPolarHBondContact O-CA 3.36Å; S94-F106 PolarHBondContact N-O 2.95Å; S94-F106 PolarHBondContact O-N 2.95Å; S94-F106 PolarHBondContact OG-O 3.47Å |
| 95 | R | 88.6 | Confident | 79.3 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 143.4 | 170.8 | -70.2 | -178 | 89.4 | 169.4 | 5.6 | 109.7 | W66 T74 V75 W102 S103 V105 | W66-R95 HydrophobicContact CD2-CG 4.22Å; W66-R95 HydrophobicContact CE3-CB 4.03Å; W66-R95 HydrophobicContact CE3-CG 4.1Å; W66-R95 HydrophobicContact CH2-CB 4.04Å; W66-R95 HydrophobicContact CH2-CG 3.48Å; W66-R95 VanDerWaalsContact CH2-CG 3.48Å; W66-R95 HydrophobicContact CZ2-CB 4.5Å; W66-R95 HydrophobicContact CZ2-CG 3.58Å; W66-R95 HydrophobicContact CZ3-CB 3.77Å; W66-R95 HydrophobicContact CZ3-CG 3.74Å; T74-R95 CarbonylContact C-O 3.57Å; T74-R95 WeakPolarHBondContact CA-O 3.49Å; V75-R95 PolarHBondContact N-O 2.9Å; V75-R95 PolarHBondContact O-N 3.15Å; R95-W102 HydrophobicContact CB-CE3 3.86Å; R95-W102 HydrophobicContact CB-CZ3 4.12Å; R95-S103 PolarHBondContact NE-O 3.23Å; R95-S103 PolarHBondContact NH2-O 3.42Å; R95-V105 HydrophobicContact CG-CB 4.39Å; R95-V105 HydrophobicContact CG-CG2 3.78Å |
| 96 | N | 90 | Very high | 80.1 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136 | 176 | -169.2 | 1.8 | 0 | 0 | 0 | 109.9 | E73 S103 | E73-N96 PolarHBondContact O-OD1 3.21Å; E73-N96 VanDerWaalsContact O-OD1 3.1Å; N96-S103 PolarHBondContact N-OG 3.17Å; N96-S103 WeakPolarHBondContact O-CB 3.44Å; N96-S103 PolarHBondContact O-N 3.46Å; N96-S103 PolarHBondContact O-OG 3.1Å |
| 97 | C | 89.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.3 | 172.5 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | C56 A69 E70 G72 E73 W102 | C56-C97 HydrophobicContact CB-CB 3.82Å; C56-C97 WeakPolarHBondContact CB-SG 3.37Å; C56-C97 PolarHBondContact N-SG 3.44Å; C56-C97 WeakPolarHBondContact SG-CA 3.42Å; C56-C97 WeakPolarHBondContact SG-CB 3.46Å; C56-C97 CovalentContact SG-SG 2.04Å; C56-C97 PolarHBondContact SG-SG 3.44Å; A69-C97 HydrophobicContact CB-CB 4.02Å; E70-C97 WeakPolarHBondContact O-CB 3.38Å; G72-C97 PolarHBondContact N-O 3.35Å; E73-C97 PolarHBondContact O-N 3.43Å; C97-W102 HydrophobicContact CB-CE3 4.46Å; C97-W102 HydrophobicContact CB-CZ3 4.33Å |
| 98 | T | 88.1 | Confident | 82 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 166.4 | 179.2 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | F71 A100 G101 | F71-T98 WeakPolarHBondContact CD1-O 3.5Å; F71-T98 WeakPolarHBondContact CE1-O 3.46Å; T98-A100 PolarHBondContact O-N 3.1Å; T98-A100 VanDerWaalsContact O-N 3.09Å; T98-A100 PolarHBondContact OG1-N 2.99Å; T98-G101 PolarHBondContact N-O 3.13Å; T98-G101 PolarHBondContact O-N 2.88Å; T98-G101 PolarHBondContact OG1-N 3.37Å; T98-G101 PolarHBondContact OG1-O 3.07Å |
| 99 | A | 84.5 | Confident | 82.5 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 80% | 0.802 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 100 | A | 83.1 | Confident | 82.5 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 85% | 0.851 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T98 | T98-A100 PolarHBondContact O-N 3.1Å; T98-A100 VanDerWaalsContact O-N 3.09Å; T98-A100 PolarHBondContact OG1-N 2.99Å |
| 101 | G | 84.6 | Confident | 82.6 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 113 | -161.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T98 | T98-G101 PolarHBondContact N-O 3.13Å; T98-G101 PolarHBondContact O-N 2.88Å; T98-G101 PolarHBondContact OG1-N 3.37Å; T98-G101 PolarHBondContact OG1-O 3.07Å |
| 102 | W | 86.6 | Confident | 82.3 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 19% | 0.193 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.3 | -178.6 | -72 | 109.7 | 0 | 0 | 0 | 112.7 | C56 R57 W66 D67 A69 V75 R95 C97 | C56-W102 HydrophobicContact CB-CD2 3.89Å; C56-W102 VanDerWaalsContact CB-CE2 3.45Å; C56-W102 HydrophobicContact CB-CE3 4.49Å; C56-W102 HydrophobicContact CB-CG 4.29Å; C56-W102 HydrophobicContact CB-CH2 4.36Å; C56-W102 HydrophobicContact CB-CZ2 3.72Å; R57-W102 PolarHBondContact O-NE1 2.97Å; W66-W102 HydrophobicContact CB-CH2 4.48Å; W66-W102 HydrophobicContact CB-CZ2 4.28Å; D67-W102 WeakPolarHBondContact O-CH2 3.4Å; D67-W102 WeakPolarHBondContact O-CZ2 3.36Å; A69-W102 HydrophobicContact CB-CH2 3.52Å; A69-W102 HydrophobicContact CB-CZ2 4.25Å; A69-W102 HydrophobicContact CB-CZ3 4.13Å; V75-W102 HydrophobicContact CB-CH2 4.43Å; V75-W102 HydrophobicContact CB-CZ3 4.38Å; V75-W102 HydrophobicContact CG2-CH2 3.85Å; V75-W102 HydrophobicContact CG2-CZ3 4.1Å; R95-W102 HydrophobicContact CB-CE3 3.86Å; R95-W102 HydrophobicContact CB-CZ3 4.12Å; C97-W102 HydrophobicContact CB-CE3 4.46Å; C97-W102 HydrophobicContact CB-CZ3 4.33Å |
| 103 | S | 86.8 | Confident | 81.7 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 169.8 | 171.5 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | R95 N96 | R95-S103 PolarHBondContact NE-O 3.23Å; R95-S103 PolarHBondContact NH2-O 3.42Å; N96-S103 PolarHBondContact N-OG 3.17Å; N96-S103 WeakPolarHBondContact O-CB 3.44Å; N96-S103 PolarHBondContact O-N 3.46Å; N96-S103 PolarHBondContact O-OG 3.1Å |
| 104 | E | 83.6 | Confident | 80.5 | Confident | 175 Ų | 175 | 59.2 Ų | 59.2 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 155.3 | 166.8 | -65 | -170 | 168.9 | 0 | 0 | 111.4 | ||
| 105 | V | 83.6 | Confident | 79 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 126.9 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 110 | W66 I93 R95 | W66-V105 HydrophobicContact CZ2-CG2 4.04Å; I93-V105 HydrophobicContact CB-CG1 3.84Å; I93-V105 HydrophobicContact CD1-CG1 4.37Å; I93-V105 HydrophobicContact CG2-CG1 4.3Å; R95-V105 HydrophobicContact CG-CB 4.39Å; R95-V105 HydrophobicContact CG-CG2 3.78Å |
| 106 | F | 79.6 | Confident | 77.4 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 65% | 0.654 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -129.2 | 136.2 | 178.4 | -176 | -94.3 | 0 | 0 | 0 | 111.4 | S94 | S94-F106 PolarHBondContact N-O 2.95Å; S94-F106 PolarHBondContact O-N 2.95Å; S94-F106 PolarHBondContact OG-O 3.47Å |
| 107 | P | 81.3 | Confident | 75.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 29% | 0.286 | 40% | 0.397 | S | S | . | . | S | Bend | cis | -69.4 | 165.7 | -10.9 | -5.8 | 22.5 | 0 | 0 | 0 | 111.4 | I109 V112 | P107-I109 PolarHBondContact O-N 3.16Å; P107-V112 HydrophobicContact CB-CG2 3.62Å; P107-V112 HydrophobicContact CG-CG2 3.74Å |
| 108 | N | 78.2 | Confident | 74 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | trans | -53.5 | 129.4 | -177.1 | -168.4 | -37.1 | 0 | 0 | 0 | 111.3 | S110 S111 V112 | N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 VanDerWaalsContact O-N 3.08Å; N108-S110 PolarHBondContact OD1-N 3.37Å; N108-S110 PolarHBondContact OD1-OG 2.92Å; N108-S111 PolarHBondContact O-N 3.47Å; N108-S111 PolarHBondContact O-OG 3.26Å; N108-V112 PolarHBondContact O-N 3.12Å | ||
| 109 | I | 71.7 | Confident | 72.3 | Confident | 49 Ų | 49 | 80 Ų | 80 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.7 | -32.5 | -173.4 | -162.9 | 154.2 | 0 | 0 | 0 | 112.9 | I63 L83 I93 P107 S111 C113 G114 | I63-I109 HydrophobicContact CG2-CD1 3.97Å; L83-I109 HydrophobicContact CD1-CD1 4.06Å; L83-I109 HydrophobicContact CD1-CG1 4.18Å; I93-I109 HydrophobicContact CD1-CD1 3.85Å; I93-I109 HydrophobicContact CG2-CG1 4.44Å; P107-I109 PolarHBondContact O-N 3.16Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.21Å; I109-C113 HydrophobicContact CG1-CB 4.2Å; I109-C113 WeakPolarHBondContact O-CA 3.13Å; I109-C113 WeakPolarHBondContact O-CB 2.98Å; I109-C113 PolarHBondContact O-N 3.01Å; I109-G114 PolarHBondContact O-N 3.09Å |
| 110 | S | 66.8 | Low | 70.7 | Confident | 76 Ų | 76 | 80 Ų | 80 | 53% | 0.531 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.1 | -23.3 | 179.2 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | N108 G114 | N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 VanDerWaalsContact O-N 3.08Å; N108-S110 PolarHBondContact OD1-N 3.37Å; N108-S110 PolarHBondContact OD1-OG 2.92Å; S110-G114 CarbonylContact O-C 3.55Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 3.26Å |
| 111 | S | 70.7 | Confident | 69.3 | Low | 73 Ų | 73 | 81.7 Ų | 81.7 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -86.8 | -31.4 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | N108 I109 | N108-S111 PolarHBondContact O-N 3.47Å; N108-S111 PolarHBondContact O-OG 3.26Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.21Å |
| 112 | V | 71.9 | Confident | 67.9 | Low | 32 Ų | 32 | 88.2 Ų | 88.2 | 19% | 0.194 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -94.2 | -47.1 | -177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | P107 N108 | P107-V112 HydrophobicContact CB-CG2 3.62Å; P107-V112 HydrophobicContact CG-CG2 3.74Å; N108-V112 PolarHBondContact O-N 3.12Å |
| 113 | C | 72.1 | Confident | 66.3 | Low | 3 Ų | 3 | 91.8 Ų | 91.8 | 2% | 0.02 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -104.8 | -1 | -177.2 | -50.4 | 0 | 0 | 0 | 0 | 112.8 | C79 L83 F87 I109 | C79-C113 HydrophobicContact CB-CB 3.97Å; C79-C113 WeakPolarHBondContact CB-SG 3.18Å; C79-C113 WeakPolarHBondContact SG-CB 3.49Å; C79-C113 CovalentContact SG-SG 2.04Å; C79-C113 PolarHBondContact SG-SG 3.45Å; L83-C113 HydrophobicContact CB-CB 4.48Å; L83-C113 HydrophobicContact CD1-CB 4.09Å; F87-C113 WeakPolarHBondContact CD2-O 3.33Å; I109-C113 HydrophobicContact CG1-CB 4.2Å; I109-C113 WeakPolarHBondContact O-CA 3.13Å; I109-C113 WeakPolarHBondContact O-CB 2.98Å; I109-C113 PolarHBondContact O-N 3.01Å |
| 114 | G | 61.9 | Low | 64.8 | Low | 12 Ų | 12 | 95.7 Ų | 95.7 | 12% | 0.124 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -104.1 | 176 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I109 S110 | I109-G114 PolarHBondContact O-N 3.09Å; S110-G114 CarbonylContact O-C 3.55Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 3.26Å |
| 115 | L | 56 | Low | 63.7 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | trans | -86.9 | 142.3 | -165.2 | -161.6 | 83.7 | 0 | 0 | 0 | 113.4 | F87 T117 E120 | F87-L115 HydrophobicContact CD1-CB 4.16Å; F87-L115 HydrophobicContact CD1-CD1 3.45Å; F87-L115 VanDerWaalsContact CD1-CD1 3.45Å; F87-L115 HydrophobicContact CD1-CG 4.4Å; F87-L115 HydrophobicContact CE1-CB 3.95Å; F87-L115 HydrophobicContact CE1-CD1 3.64Å; F87-L115 HydrophobicContact CE1-CG 4.3Å; L115-T117 PolarHBondContact O-N 2.96Å; L115-T117 VanDerWaalsContact O-N 3.1Å; L115-E120 HydrophobicContact CD1-CG 3.95Å; L115-E120 HydrophobicContact CD2-CB 3.67Å; L115-E120 HydrophobicContact CD2-CG 3.54Å; L115-E120 WeakPolarHBondContact CD2-OE2 3.28Å; L115-E120 HydrophobicContact CG-CB 4.4Å; L115-E120 HydrophobicContact CG-CG 3.79Å | ||
| 116 | D | 55.6 | Low | 62.7 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | trans | -71.8 | 101.2 | 167.6 | -169 | -9 | 0 | 0 | 0 | 110.3 | R118 | D116-R118 PolarHBondContact O-N 3.18Š| ||
| 117 | T | 54.9 | Low | 61.8 | Low | 86 Ų | 86 | 93 Ų | 93 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.2 | -13.1 | -168.5 | 56.5 | 0 | 0 | 0 | 0 | 115.5 | L115 K121 | L115-T117 PolarHBondContact O-N 2.96Å; L115-T117 VanDerWaalsContact O-N 3.1Å; T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 WeakPolarHBondContact O-CD 3.47Å; T117-K121 WeakPolarHBondContact O-CG 3.29Å |
| 118 | R | 52.2 | Low | 60.9 | Low | 208 Ų | 208 | 94.4 Ų | 94.4 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -89.2 | -37 | -170.4 | -133.8 | 179.7 | -166.2 | -166.1 | 4.9 | 114.3 | D116 | D116-R118 PolarHBondContact O-N 3.18Å |
| 119 | Q | 52.1 | Low | 60.4 | Low | 143 Ų | 143 | 93.2 Ų | 93.2 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -84.2 | -36.5 | -176.7 | -166.4 | 157.3 | -22.1 | 0 | 0 | 111.6 | K122 K123 | Q119-K122 PolarHBondContact O-N 3.01Å; Q119-K123 PolarHBondContact O-N 2.83Å |
| 120 | E | 51.8 | Low | 60.1 | Low | 97 Ų | 97 | 91.5 Ų | 91.5 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 177.5 | -71.6 | -96.4 | 131.3 | 0 | 0 | 112.8 | L115 K122 K123 L124 | L115-E120 HydrophobicContact CD1-CG 3.95Å; L115-E120 HydrophobicContact CD2-CB 3.67Å; L115-E120 HydrophobicContact CD2-CG 3.54Å; L115-E120 WeakPolarHBondContact CD2-OE2 3.28Å; L115-E120 HydrophobicContact CG-CB 4.4Å; L115-E120 HydrophobicContact CG-CG 3.79Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.46Å; E120-K123 PolarHBondContact O-N 3.28Å; E120-L124 WeakPolarHBondContact O-CB 3.47Å; E120-L124 PolarHBondContact O-N 2.96Å |
| 121 | K | 53.8 | Low | 60.2 | Low | 137 Ų | 137 | 89.7 Ų | 89.7 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.8 | -37.4 | 173.5 | -83.3 | 177.4 | -172.9 | 177.4 | 0 | 112.3 | T117 V125 | T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 WeakPolarHBondContact O-CD 3.47Å; T117-K121 WeakPolarHBondContact O-CG 3.29Å; K121-V125 WeakPolarHBondContact O-CB 3.37Å; K121-V125 WeakPolarHBondContact O-CG2 3.13Å; K121-V125 PolarHBondContact O-N 3.22Å; K121-V125 VanDerWaalsContact O-N 3.08Å |
| 122 | K | 54.1 | Low | 60.1 | Low | 165 Ų | 165 | 89.6 Ų | 89.6 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -70.7 | -42.5 | 177.8 | -68.8 | -177.4 | 179.1 | -179.8 | 0 | 111.8 | Q119 E120 F126 | Q119-K122 PolarHBondContact O-N 3.01Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.46Å; K122-F126 WeakPolarHBondContact O-CB 3.32Å; K122-F126 PolarHBondContact O-N 3.2Å |
| 123 | K | 53.3 | Low | 60.2 | Low | 126 Ų | 126 | 91.3 Ų | 91.3 | 55% | 0.548 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176 | -76 | -170 | 171.5 | -169.6 | 0 | 112.4 | Q119 E120 F126 Y127 | Q119-K123 PolarHBondContact O-N 2.83Å; E120-K123 PolarHBondContact O-N 3.28Å; K123-F126 WeakPolarHBondContact O-CB 3.42Å; K123-F126 PolarHBondContact O-N 3.2Å; K123-Y127 PolarHBondContact O-N 2.92Å |
| 124 | L | 55.4 | Low | 60.4 | Low | 117 Ų | 117 | 91.9 Ų | 91.9 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 178.2 | -171.7 | 68.6 | 0 | 0 | 0 | 111.7 | E120 F126 Y127 V128 | E120-L124 WeakPolarHBondContact O-CB 3.47Å; E120-L124 PolarHBondContact O-N 2.96Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.48Å; L124-Y127 PolarHBondContact O-N 3.4Å; L124-V128 WeakPolarHBondContact O-CB 3.26Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.28Å; L124-V128 PolarHBondContact O-N 3.39Å |
| 125 | V | 61.4 | Low | 61.1 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 175 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | K121 V128 V129 | K121-V125 WeakPolarHBondContact O-CB 3.37Å; K121-V125 WeakPolarHBondContact O-CG2 3.13Å; K121-V125 PolarHBondContact O-N 3.22Å; K121-V125 VanDerWaalsContact O-N 3.08Å; V125-V128 PolarHBondContact O-N 3.03Å; V125-V129 HydrophobicContact CG1-CG2 4.36Å; V125-V129 WeakPolarHBondContact O-CB 3.45Å; V125-V129 WeakPolarHBondContact O-CG2 3.34Å; V125-V129 PolarHBondContact O-N 2.95Å |
| 126 | F | 61.8 | Low | 62.5 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58 | -52.7 | 175 | 178.4 | -101.8 | 0 | 0 | 0 | 111.4 | K122 K123 L124 V128 V129 V130 D353 F357 | K122-F126 WeakPolarHBondContact O-CB 3.32Å; K122-F126 PolarHBondContact O-N 3.2Å; K123-F126 WeakPolarHBondContact O-CB 3.42Å; K123-F126 PolarHBondContact O-N 3.2Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.48Å; F126-V128 PolarHBondContact O-N 3.44Å; F126-V129 PolarHBondContact O-N 3.22Å; F126-V129 VanDerWaalsContact O-N 3.16Å; F126-V130 HydrophobicContact CD1-CG2 4.1Å; F126-V130 HydrophobicContact CD2-CG2 4.38Å; F126-V130 HydrophobicContact CE1-CG2 3.84Å; F126-V130 HydrophobicContact CE2-CG2 4.14Å; F126-V130 HydrophobicContact CG-CG2 4.37Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.46Å; F126-V130 PolarHBondContact O-N 2.98Å; F126-D353 HydrophobicContact CE1-CB 4.23Å; F126-D353 HydrophobicContact CZ-CB 4.48Å; F126-F357 HydrophobicContact CZ-CB 4.18Å |
| 127 | Y | 60.4 | Low | 63.9 | Low | 141 Ų | 141 | 89.7 Ų | 89.7 | 55% | 0.553 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | -179.6 | -168.7 | -90.5 | 0 | 0 | 0 | 112.8 | K123 L124 V129 V130 Q131 | K123-Y127 PolarHBondContact O-N 2.92Å; L124-Y127 PolarHBondContact O-N 3.4Å; Y127-V129 PolarHBondContact O-N 3.4Å; Y127-V130 PolarHBondContact O-N 2.84Å; Y127-Q131 WeakPolarHBondContact O-CB 3.49Å; Y127-Q131 PolarHBondContact O-N 3.43Å |
| 128 | V | 63.4 | Low | 65.3 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L124 V125 F126 Q131 T132 | L124-V128 WeakPolarHBondContact O-CB 3.26Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.28Å; L124-V128 PolarHBondContact O-N 3.39Å; V125-V128 PolarHBondContact O-N 3.03Å; F126-V128 PolarHBondContact O-N 3.44Å; V128-Q131 PolarHBondContact O-N 3.01Å; V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.97Å; V128-T132 PolarHBondContact O-OG1 2.96Å |
| 129 | V | 67.9 | Low | 67.1 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | V125 F126 Y127 Q131 T132 L133 | V125-V129 HydrophobicContact CG1-CG2 4.36Å; V125-V129 WeakPolarHBondContact O-CB 3.45Å; V125-V129 WeakPolarHBondContact O-CG2 3.34Å; V125-V129 PolarHBondContact O-N 2.95Å; F126-V129 PolarHBondContact O-N 3.22Å; F126-V129 VanDerWaalsContact O-N 3.16Å; Y127-V129 PolarHBondContact O-N 3.4Å; V129-Q131 PolarHBondContact O-N 3.09Å; V129-T132 PolarHBondContact O-N 2.79Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 3.45Å |
| 130 | V | 65.6 | Low | 68.9 | Low | 12 Ų | 12 | 76.1 Ų | 76.1 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | F126 Y127 L133 Y134 F357 | F126-V130 HydrophobicContact CD1-CG2 4.1Å; F126-V130 HydrophobicContact CD2-CG2 4.38Å; F126-V130 HydrophobicContact CE1-CG2 3.84Å; F126-V130 HydrophobicContact CE2-CG2 4.14Å; F126-V130 HydrophobicContact CG-CG2 4.37Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.46Å; F126-V130 PolarHBondContact O-N 2.98Å; Y127-V130 PolarHBondContact O-N 2.84Å; V130-L133 PolarHBondContact O-N 3.34Å; V130-Y134 WeakPolarHBondContact O-CD1 3.29Å; V130-Y134 PolarHBondContact O-N 2.93Å; V130-F357 HydrophobicContact CB-CD2 4.29Å; V130-F357 HydrophobicContact CG1-CD2 4.12Å; V130-F357 HydrophobicContact CG2-CD2 3.54Å; V130-F357 HydrophobicContact CG2-CE2 4.22Å |
| 131 | Q | 66.9 | Low | 70.8 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | -179.9 | 174.4 | 171 | -7.4 | 0 | 0 | 113.2 | Y127 V128 V129 L133 Y134 T135 | Y127-Q131 WeakPolarHBondContact O-CB 3.49Å; Y127-Q131 PolarHBondContact O-N 3.43Å; V128-Q131 PolarHBondContact O-N 3.01Å; V129-Q131 PolarHBondContact O-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.26Å; Q131-Y134 HydrophobicContact CB-CD1 4.38Å; Q131-Y134 HydrophobicContact CB-CE1 3.79Å; Q131-Y134 HydrophobicContact CG-CE1 3.74Å; Q131-Y134 WeakPolarHBondContact O-CD1 3.27Å; Q131-T135 WeakPolarHBondContact O-CB 3.08Å; Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 3.46Å |
| 132 | T | 68.7 | Low | 72.6 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | V128 V129 T135 L136 | V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.97Å; V128-T132 PolarHBondContact O-OG1 2.96Å; V129-T132 PolarHBondContact O-N 2.79Å; T132-T135 PolarHBondContact O-N 3.39Å; T132-L136 HydrophobicContact CG2-CD1 3.95Å; T132-L136 HydrophobicContact CG2-CG 4.42Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.22Å; T132-L136 WeakPolarHBondContact O-CG 3.41Å; T132-L136 PolarHBondContact O-N 3.14Å |
| 133 | L | 75.1 | Confident | 74.5 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | -179.6 | -74.3 | 170.2 | 0 | 0 | 0 | 112.6 | V129 V130 Q131 T135 L136 G137 F357 | V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 3.45Å; V130-L133 PolarHBondContact O-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.26Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.96Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-G137 PolarHBondContact O-N 3.28Å; L133-F357 HydrophobicContact CD1-CE2 3.85Å; L133-F357 HydrophobicContact CD1-CZ 4.25Å |
| 134 | Y | 75.9 | Confident | 76.4 | Confident | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.5 | 83.4 | -117 | 0 | 0 | 0 | 111.4 | V130 Q131 G137 H138 D184 L360 | V130-Y134 WeakPolarHBondContact O-CD1 3.29Å; V130-Y134 PolarHBondContact O-N 2.93Å; Q131-Y134 HydrophobicContact CB-CD1 4.38Å; Q131-Y134 HydrophobicContact CB-CE1 3.79Å; Q131-Y134 HydrophobicContact CG-CE1 3.74Å; Q131-Y134 WeakPolarHBondContact O-CD1 3.27Å; Y134-G137 PolarHBondContact O-N 2.92Å; Y134-H138 PolarHBondContact O-CD2 3.27Å; Y134-H138 PolarHBondContact O-N 3.05Å; Y134-D184 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D184 VanDerWaalsContact OH-CG 3.29Å; Y134-D184 PolarHBondContact OH-OD2 3.26Å; Y134-L360 HydrophobicContact CD1-CD2 4.03Å; Y134-L360 HydrophobicContact CE1-CD2 4.48Å |
| 135 | T | 77.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | -178.8 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | Q131 T132 L133 S139 L181 | Q131-T135 WeakPolarHBondContact O-CB 3.08Å; Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 3.46Å; T132-T135 PolarHBondContact O-N 3.39Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.96Å; T135-S139 WeakPolarHBondContact O-CB 3.3Å; T135-S139 PolarHBondContact O-N 2.78Å; T135-S139 PolarHBondContact O-OG 3.48Å; T135-L181 HydrophobicContact CG2-CD2 4.26Å |
| 136 | L | 84.1 | Confident | 79.7 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 173.3 | -72.4 | 173.9 | 0 | 0 | 0 | 111.3 | T132 L133 S139 L140 | T132-L136 HydrophobicContact CG2-CD1 3.95Å; T132-L136 HydrophobicContact CG2-CG 4.42Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.22Å; T132-L136 WeakPolarHBondContact O-CG 3.41Å; T132-L136 PolarHBondContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.29Å; L136-S139 PolarHBondContact O-N 3.38Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.8Å |
| 137 | G | 85.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L133 Y134 S139 L140 S141 S364 | L133-G137 PolarHBondContact O-N 3.28Å; Y134-G137 PolarHBondContact O-N 2.92Å; G137-S139 PolarHBondContact O-N 3.46Å; G137-L140 PolarHBondContact O-N 2.99Å; G137-S141 VanDerWaalsContact O-CB 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.33Å; G137-S141 PolarHBondContact O-N 3.34Å; G137-S364 CarbonylContact C-O 3.47Å |
| 138 | H | 84.8 | Confident | 82.6 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.3 | -80.3 | -49.4 | 0 | 0 | 0 | 112.8 | Y134 S141 L142 A177 | Y134-H138 PolarHBondContact O-CD2 3.27Å; Y134-H138 PolarHBondContact O-N 3.05Å; H138-S141 PolarHBondContact O-N 2.75Å; H138-L142 VanDerWaalsContact O-CB 3.24Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 PolarHBondContact O-N 3.49Å; H138-A177 HydrophobicContact CB-CB 4.47Å |
| 139 | S | 89.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | T135 L136 G137 L142 I143 | T135-S139 WeakPolarHBondContact O-CB 3.3Å; T135-S139 PolarHBondContact O-N 2.78Å; T135-S139 PolarHBondContact O-OG 3.48Å; L136-S139 PolarHBondContact O-N 3.38Å; G137-S139 PolarHBondContact O-N 3.46Å; S139-L142 PolarHBondContact O-N 3.17Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 2.96Å; S139-I143 VanDerWaalsContact O-N 3.08Å |
| 140 | L | 90.6 | Very high | 84.9 | Confident | 91 Ų | 91 | 41 Ų | 41 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.5 | -72.6 | 170.4 | 0 | 0 | 0 | 111.7 | L136 G137 L142 I143 A144 | L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.8Å; G137-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.7Å; L140-I143 PolarHBondContact O-N 3.04Å; L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.35Å |
| 141 | S | 91.4 | Very high | 86.1 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | G137 H138 A144 L145 G367 L368 | G137-S141 VanDerWaalsContact O-CB 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.33Å; G137-S141 PolarHBondContact O-N 3.34Å; H138-S141 PolarHBondContact O-N 2.75Å; S141-A144 PolarHBondContact O-N 2.76Å; S141-L145 VanDerWaalsContact O-CB 3.28Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 WeakPolarHBondContact O-CD1 3.35Å; S141-L145 VanDerWaalsContact O-CG 3.24Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.03Å; S141-L145 WeakPolarHBondContact OG-CD1 3.25Å; S141-G367 WeakPolarHBondContact OG-CA 3.49Å; S141-L368 PolarHBondContact OG-N 2.92Å; S141-L368 VanDerWaalsContact OG-N 3.13Å |
| 142 | L | 92.6 | Very high | 87 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 179 | -174.4 | 69.2 | 0 | 0 | 0 | 111.5 | H138 S139 L140 T146 I174 V178 L181 | H138-L142 VanDerWaalsContact O-CB 3.24Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 PolarHBondContact O-N 3.49Å; S139-L142 PolarHBondContact O-N 3.17Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.7Å; L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.25Å; L142-T146 PolarHBondContact O-N 2.94Å; L142-T146 PolarHBondContact O-OG1 3.42Å; L142-I174 HydrophobicContact CD1-CB 4.28Å; L142-I174 HydrophobicContact CD1-CG1 4.32Å; L142-I174 HydrophobicContact CD1-CG2 3.78Å; L142-V178 HydrophobicContact CD1-CG2 3.96Å; L142-L181 HydrophobicContact CD2-CD1 4.49Å |
| 143 | I | 94 | Very high | 87.9 | Confident | 110 Ų | 110 | 39.9 Ų | 39.9 | 56% | 0.564 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.8 | -47.6 | 177.7 | -65.7 | 165 | 0 | 0 | 0 | 110.6 | S139 L140 T147 | S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 2.96Å; S139-I143 VanDerWaalsContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 3.04Å; I143-T147 WeakPolarHBondContact O-CB 3.41Å; I143-T147 PolarHBondContact O-N 3.01Å; I143-T147 PolarHBondContact O-OG1 2.85Å |
| 144 | A | 92.8 | Very high | 88.4 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 S141 T147 G148 L368 A371 F376 | L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.35Å; S141-A144 PolarHBondContact O-N 2.76Å; A144-T147 PolarHBondContact O-N 3.39Å; A144-G148 PolarHBondContact O-N 3.48Å; A144-L368 HydrophobicContact CB-CD1 3.47Å; A144-L368 VanDerWaalsContact CB-CD1 3.47Å; A144-A371 HydrophobicContact CB-CB 4.11Å; A144-F376 HydrophobicContact CB-CE2 4.31Å |
| 145 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.2 | -73.7 | 165.3 | 0 | 0 | 0 | 112.2 | S141 T147 G148 S149 F170 F173 I174 G367 A371 | S141-L145 VanDerWaalsContact O-CB 3.28Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 WeakPolarHBondContact O-CD1 3.35Å; S141-L145 VanDerWaalsContact O-CG 3.24Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.03Å; S141-L145 WeakPolarHBondContact OG-CD1 3.25Å; L145-T147 VanDerWaalsContact C-N 3.32Å; L145-T147 PolarHBondContact O-N 3.14Å; L145-G148 PolarHBondContact O-N 3.26Å; L145-S149 WeakPolarHBondContact O-CB 3.45Å; L145-S149 PolarHBondContact O-N 3.32Å; L145-F170 HydrophobicContact CD2-CB 4.04Å; L145-F170 HydrophobicContact CD2-CD1 3.91Å; L145-F170 HydrophobicContact CD2-CG 3.91Å; L145-F173 HydrophobicContact CD1-CB 3.48Å; L145-F173 VanDerWaalsContact CD1-CB 3.48Å; L145-F173 HydrophobicContact CD1-CG 4.42Å; L145-F173 HydrophobicContact CD2-CB 4.47Å; L145-I174 HydrophobicContact CB-CD1 4.02Å; L145-I174 HydrophobicContact CB-CG1 3.69Å; L145-I174 HydrophobicContact CD1-CG1 4.28Å; L145-G367 WeakPolarHBondContact CD2-O 3.42Å; L145-A371 HydrophobicContact CD2-CB 3.94Å; L145-A371 HydrophobicContact CG-CB 4.26Å |
| 146 | T | 93.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | L142 S149 A150 | L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.25Å; L142-T146 PolarHBondContact O-N 2.94Å; L142-T146 PolarHBondContact O-OG1 3.42Å; T146-S149 PolarHBondContact O-N 3.48Å; T146-A150 WeakPolarHBondContact O-CB 3.37Å; T146-A150 PolarHBondContact O-N 3.23Å |
| 147 | T | 92.3 | Very high | 88.6 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | I143 A144 L145 A150 I151 F376 | I143-T147 WeakPolarHBondContact O-CB 3.41Å; I143-T147 PolarHBondContact O-N 3.01Å; I143-T147 PolarHBondContact O-OG1 2.85Å; A144-T147 PolarHBondContact O-N 3.39Å; L145-T147 VanDerWaalsContact C-N 3.32Å; L145-T147 PolarHBondContact O-N 3.14Å; T147-A150 PolarHBondContact O-N 2.87Å; T147-I151 HydrophobicContact CG2-CD1 4.1Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.28Å; T147-I151 PolarHBondContact O-N 2.96Å; T147-F376 HydrophobicContact CG2-CE1 4.4Å; T147-F376 HydrophobicContact CG2-CZ 4.26Å |
| 148 | G | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A144 L145 A150 I151 L152 C375 | A144-G148 PolarHBondContact O-N 3.48Å; L145-G148 PolarHBondContact O-N 3.26Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 3.21Å; G148-I151 PolarHBondContact O-N 3.45Å; G148-L152 WeakPolarHBondContact O-CG 3.43Å; G148-L152 PolarHBondContact O-N 2.84Å; G148-C375 VanDerWaalsContact CA-SG 3.54Å |
| 149 | S | 90.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L145 T146 I151 L152 C153 L167 | L145-S149 WeakPolarHBondContact O-CB 3.45Å; L145-S149 PolarHBondContact O-N 3.32Å; T146-S149 PolarHBondContact O-N 3.48Å; S149-I151 PolarHBondContact O-N 3.02Å; S149-L152 PolarHBondContact O-N 3.24Å; S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.91Å; S149-C153 PolarHBondContact O-SG 2.83Å; S149-L167 WeakPolarHBondContact OG-CD1 3.33Å |
| 150 | A | 90.2 | Very high | 87.8 | Confident | 44 Ų | 44 | 61 Ų | 61 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T146 T147 G148 C153 L154 | T146-A150 WeakPolarHBondContact O-CB 3.37Å; T146-A150 PolarHBondContact O-N 3.23Å; T147-A150 PolarHBondContact O-N 2.87Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 3.21Å; A150-C153 PolarHBondContact O-N 2.99Å; A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.41Å |
| 151 | I | 89.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -52 | 176 | -71.2 | 166.2 | 0 | 0 | 0 | 110.3 | T147 G148 S149 C153 L154 F155 F376 V381 | T147-I151 HydrophobicContact CG2-CD1 4.1Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.28Å; T147-I151 PolarHBondContact O-N 2.96Å; G148-I151 PolarHBondContact O-N 3.45Å; S149-I151 PolarHBondContact O-N 3.02Å; I151-C153 VanDerWaalsContact C-N 3.3Å; I151-C153 PolarHBondContact O-N 3.48Å; I151-L154 PolarHBondContact O-N 3Å; I151-F155 HydrophobicContact CG2-CD2 3.82Å; I151-F155 HydrophobicContact CG2-CE2 3.94Å; I151-F155 WeakPolarHBondContact O-CD2 3.3Å; I151-F155 PolarHBondContact O-N 3.31Å; I151-F376 HydrophobicContact CD1-CE1 4.06Å; I151-V381 HydrophobicContact CG2-CG1 3.75Å |
| 152 | L | 86.6 | Confident | 87 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -35.9 | -179.3 | -66 | 179.1 | 0 | 0 | 0 | 112.6 | G148 S149 L158 H159 F170 V381 | G148-L152 WeakPolarHBondContact O-CG 3.43Å; G148-L152 PolarHBondContact O-N 2.84Å; S149-L152 PolarHBondContact O-N 3.24Å; L152-L158 HydrophobicContact CD2-CD1 4.24Å; L152-H159 PolarHBondContact O-CD2 2.8Å; L152-H159 PolarHBondContact O-NE2 3.05Å; L152-F170 HydrophobicContact CD1-CD2 4.19Å; L152-F170 HydrophobicContact CD1-CE2 3.63Å; L152-F170 HydrophobicContact CD1-CZ 4.4Å; L152-V381 HydrophobicContact CD2-CG2 4.25Å |
| 153 | C | 87.1 | Confident | 86.7 | Confident | 63 Ų | 63 | 61 Ų | 61 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 176.2 | -72 | 0 | 0 | 0 | 0 | 113 | S149 A150 I151 H159 | S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.91Å; S149-C153 PolarHBondContact O-SG 2.83Å; A150-C153 PolarHBondContact O-N 2.99Å; I151-C153 VanDerWaalsContact C-N 3.3Å; I151-C153 PolarHBondContact O-N 3.48Å; C153-H159 PolarHBondContact O-NE2 2.99Å |
| 154 | L | 86.3 | Confident | 86.5 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.1 | -34.9 | -174.8 | -71.9 | 171.2 | 0 | 0 | 0 | 113.3 | A150 I151 R156 | A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.41Å; I151-L154 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.25Å |
| 155 | F | 84.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 18% | 0.184 | 29% | 0.294 | C | S | . | . | trans | -89 | 90.6 | 179.7 | -67 | -71.5 | 0 | 0 | 0 | 110.8 | I151 R157 L158 L385 K388 | I151-F155 HydrophobicContact CG2-CD2 3.82Å; I151-F155 HydrophobicContact CG2-CE2 3.94Å; I151-F155 WeakPolarHBondContact O-CD2 3.3Å; I151-F155 PolarHBondContact O-N 3.31Å; F155-R157 PolarHBondContact O-N 3.08Å; F155-L158 HydrophobicContact CB-CB 4.44Å; F155-L158 HydrophobicContact CB-CD1 3.83Å; F155-L158 HydrophobicContact CB-CG 4Å; F155-L158 HydrophobicContact CD2-CD1 4.45Å; F155-L158 HydrophobicContact CG-CD1 4.43Å; F155-L158 WeakPolarHBondContact O-CB 3.35Å; F155-L158 PolarHBondContact O-N 3.31Å; F155-L385 HydrophobicContact CE2-CD2 4Å; F155-L385 HydrophobicContact CZ-CD2 4.05Å; F155-K388 HydrophobicContact CE1-CB 4.17Å; F155-K388 HydrophobicContact CE1-CG 4.2Å | ||
| 156 | R | 79.6 | Confident | 86.1 | Confident | 216 Ų | 216 | 60.8 Ų | 60.8 | 82% | 0.815 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -53 | -26.4 | 176.6 | -168.2 | 174.7 | 178.9 | 167.9 | 0.4 | 114.1 | L154 L158 H159 | L154-R156 PolarHBondContact O-N 3.25Å; R156-L158 PolarHBondContact O-N 2.99Å; R156-H159 WeakPolarHBondContact O-CB 3.44Å; R156-H159 PolarHBondContact O-N 2.72Å |
| 157 | R | 75.8 | Confident | 85.9 | Confident | 188 Ų | 188 | 58.7 Ų | 58.7 | 71% | 0.709 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.6 | 174.2 | -86.2 | -167.2 | 175.8 | -169.6 | -2 | 114.4 | F155 | F155-R157 PolarHBondContact O-N 3.08Š|
| 158 | L | 79.3 | Confident | 85.9 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -97.1 | 7.3 | 178.3 | -59.6 | 177.7 | 0 | 0 | 0 | 112 | L152 F155 R156 C160 N163 E380 V381 E384 | L152-L158 HydrophobicContact CD2-CD1 4.24Å; F155-L158 HydrophobicContact CB-CB 4.44Å; F155-L158 HydrophobicContact CB-CD1 3.83Å; F155-L158 HydrophobicContact CB-CG 4Å; F155-L158 HydrophobicContact CD2-CD1 4.45Å; F155-L158 HydrophobicContact CG-CD1 4.43Å; F155-L158 WeakPolarHBondContact O-CB 3.35Å; F155-L158 PolarHBondContact O-N 3.31Å; R156-L158 PolarHBondContact O-N 2.99Å; L158-C160 PolarHBondContact O-N 3.25Å; L158-N163 VanDerWaalsContact O-CB 3.28Å; L158-N163 WeakPolarHBondContact O-CB 3.11Å; L158-N163 PolarHBondContact O-ND2 3.47Å; L158-E380 HydrophobicContact CD2-CB 4.32Å; L158-V381 HydrophobicContact CD1-CG2 4.04Å; L158-E384 HydrophobicContact CD2-CG 3.94Å; L158-E384 HydrophobicContact CG-CG 4.27Å |
| 159 | H | 81.3 | Confident | 85.9 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | trans | -78.8 | 90 | 178.7 | -69.5 | -174.8 | 0 | 0 | 0 | 110.3 | L152 C153 R156 Y164 | L152-H159 PolarHBondContact O-CD2 2.8Å; L152-H159 PolarHBondContact O-NE2 3.05Å; C153-H159 PolarHBondContact O-NE2 2.99Å; R156-H159 WeakPolarHBondContact O-CB 3.44Å; R156-H159 PolarHBondContact O-N 2.72Å; H159-Y164 HydrophobicContact CB-CE2 4.25Å | ||
| 160 | C | 82.8 | Confident | 86 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | trans | -122.7 | 157.1 | 173.1 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | L158 R162 N163 Y164 | L158-C160 PolarHBondContact O-N 3.25Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 3.47Å; C160-N163 WeakPolarHBondContact O-CA 3.24Å; C160-N163 PolarHBondContact O-N 3.33Å; C160-Y164 VanDerWaalsContact O-CD2 3.26Å; C160-Y164 WeakPolarHBondContact O-CD2 3.15Å; C160-Y164 PolarHBondContact O-N 3.31Å | ||
| 161 | T | 82.3 | Confident | 86.2 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -49.5 | -47 | 176.4 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | N163 Y164 I165 | T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 2.95Å; T161-Y164 WeakPolarHBondContact O-CB 3.45Å; T161-Y164 PolarHBondContact O-N 3Å; T161-I165 PolarHBondContact O-N 3.36Å; T161-I165 VanDerWaalsContact O-N 3.09Å |
| 162 | R | 83.1 | Confident | 86.4 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.4 | -47.2 | 172.8 | -179.6 | -177.4 | 67.5 | -180 | -4.9 | 112.8 | C160 Y164 I165 H166 Y227 E380 | C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 3.47Å; R162-Y164 VanDerWaalsContact C-N 3.32Å; R162-Y164 PolarHBondContact O-N 3.04Å; R162-I165 PolarHBondContact O-N 3.26Å; R162-H166 VanDerWaalsContact CG-NE2 3.28Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact O-CD2 2.85Å; R162-H166 PolarHBondContact O-N 3.23Å; R162-Y227 HydrophobicContact CB-CE1 4.18Å; R162-Y227 HydrophobicContact CG-CE1 4.2Å; R162-E380 IonicContact CZ-OE1 3.82Å; R162-E380 IonicContact NH1-OE1 3.95Å; R162-E380 IonicContact NH2-OE1 2.79Å; R162-E380 PolarHBondContact NH2-OE1 3.37Å; R162-E380 IonicContact NH2-OE2 2.97Å; R162-E380 PolarHBondContact NH2-OE2 2.88Å |
| 163 | N | 86.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.3 | -26.4 | -176.8 | -66.3 | -6.6 | 0 | 0 | 0 | 111.6 | L158 C160 T161 L167 | L158-N163 VanDerWaalsContact O-CB 3.28Å; L158-N163 WeakPolarHBondContact O-CB 3.11Å; L158-N163 PolarHBondContact O-ND2 3.47Å; C160-N163 WeakPolarHBondContact O-CA 3.24Å; C160-N163 PolarHBondContact O-N 3.33Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 2.95Å; N163-L167 VanDerWaalsContact O-CB 3.25Å; N163-L167 WeakPolarHBondContact O-CB 3.3Å; N163-L167 PolarHBondContact O-N 3.38Å |
| 164 | Y | 88.2 | Confident | 86.9 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 38% | 0.384 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 167.8 | -78.6 | -70.8 | 0 | 0 | 0 | 112.6 | H159 C160 T161 R162 L167 N168 | H159-Y164 HydrophobicContact CB-CE2 4.25Å; C160-Y164 VanDerWaalsContact O-CD2 3.26Å; C160-Y164 WeakPolarHBondContact O-CD2 3.15Å; C160-Y164 PolarHBondContact O-N 3.31Å; T161-Y164 WeakPolarHBondContact O-CB 3.45Å; T161-Y164 PolarHBondContact O-N 3Å; R162-Y164 VanDerWaalsContact C-N 3.32Å; R162-Y164 PolarHBondContact O-N 3.04Å; Y164-L167 PolarHBondContact O-N 2.89Å; Y164-N168 PolarHBondContact O-N 2.59Å; Y164-N168 PolarHBondContact O-ND2 2.92Å |
| 165 | I | 88.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 174.2 | -61.7 | -63.2 | 0 | 0 | 0 | 110.4 | T161 R162 L167 N168 L169 W220 V223 Y227 F242 | T161-I165 PolarHBondContact O-N 3.36Å; T161-I165 VanDerWaalsContact O-N 3.09Å; R162-I165 PolarHBondContact O-N 3.26Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.72Å; I165-N168 PolarHBondContact O-N 3.4Å; I165-L169 PolarHBondContact O-N 3.49Å; I165-W220 HydrophobicContact CD1-CZ3 4.2Å; I165-W220 HydrophobicContact CG2-CZ3 4.41Å; I165-V223 HydrophobicContact CD1-CG1 4.32Å; I165-V223 HydrophobicContact CG2-CG1 4.41Å; I165-Y227 HydrophobicContact CG1-CD2 4.49Å; I165-F242 HydrophobicContact CD1-CD2 4.06Å; I165-F242 HydrophobicContact CD1-CE2 3.78Å; I165-F242 HydrophobicContact CG1-CE2 4.41Å |
| 166 | H | 88.2 | Confident | 87.4 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 175.5 | -63.2 | -52.4 | 0 | 0 | 0 | 112.6 | R162 L169 F170 E224 Y374 | R162-H166 VanDerWaalsContact CG-NE2 3.28Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact O-CD2 2.85Å; R162-H166 PolarHBondContact O-N 3.23Å; H166-L169 WeakPolarHBondContact O-CB 3.06Å; H166-L169 PolarHBondContact O-N 3.15Å; H166-F170 HydrophobicContact CB-CE1 4.48Å; H166-F170 WeakPolarHBondContact O-CD1 3.45Å; H166-F170 VanDerWaalsContact O-CG 3.24Å; H166-F170 WeakPolarHBondContact O-CG 3.24Å; H166-F170 PolarHBondContact O-N 3.03Å; H166-E224 IonicContact CE1-OE1 3.09Å; H166-E224 PolarHBondContact CE1-OE1 3.37Å; H166-E224 IonicContact ND1-OE1 3.94Å; H166-E224 PolarHBondContact ND1-OE1 3.37Å; H166-Y374 AromaticContact CE1-CD1 3.63Å; H166-Y374 AromaticContact CE1-CE1 3.51Å; H166-Y374 AromaticContact CE1-CZ 3.97Å; H166-Y374 AromaticContact ND1-CD1 3.98Å |
| 167 | L | 90.4 | Very high | 87.9 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 175.6 | -178.6 | 67.5 | 0 | 0 | 0 | 111.5 | S149 N163 Y164 I165 L169 F170 I171 | S149-L167 WeakPolarHBondContact OG-CD1 3.33Å; N163-L167 VanDerWaalsContact O-CB 3.25Å; N163-L167 WeakPolarHBondContact O-CB 3.3Å; N163-L167 PolarHBondContact O-N 3.38Å; Y164-L167 PolarHBondContact O-N 2.89Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.72Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.48Å; L167-F170 PolarHBondContact O-N 2.85Å; L167-I171 HydrophobicContact CD1-CD1 4.48Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.66Å |
| 168 | N | 92.3 | Very high | 88.6 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 176.6 | -79.3 | -81.9 | 0 | 0 | 0 | 111.9 | Y164 I165 I171 S172 W220 W250 | Y164-N168 PolarHBondContact O-N 2.59Å; Y164-N168 PolarHBondContact O-ND2 2.92Å; I165-N168 PolarHBondContact O-N 3.4Å; N168-I171 PolarHBondContact O-N 3.03Å; N168-S172 PolarHBondContact O-N 3.03Å; N168-W220 HydrophobicContact CB-CD2 3.94Å; N168-W220 HydrophobicContact CB-CE3 3.67Å; N168-W220 HydrophobicContact CB-CH2 3.23Å; N168-W220 HydrophobicContact CB-CZ2 3.52Å; N168-W220 HydrophobicContact CB-CZ3 3.31Å; N168-W250 PolarHBondContact OD1-NE1 2.88Å |
| 169 | L | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 171.5 | -177.9 | 72.6 | 0 | 0 | 0 | 111.4 | I165 H166 L167 I171 S172 F173 W220 L221 E224 V370 | I165-L169 PolarHBondContact O-N 3.49Å; H166-L169 WeakPolarHBondContact O-CB 3.06Å; H166-L169 PolarHBondContact O-N 3.15Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.48Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 3.14Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 2.79Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.07Å; L169-F173 HydrophobicContact CD1-CD2 4.29Å; L169-F173 HydrophobicContact CD1-CE2 3.88Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 HydrophobicContact CG-CD2 4.09Å; L169-F173 HydrophobicContact CG-CE2 3.96Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 3.3Å; L169-F173 VanDerWaalsContact O-N 3.07Å; L169-W220 HydrophobicContact CD1-CB 3.88Å; L169-L221 HydrophobicContact CD1-CD2 3.86Å; L169-L221 HydrophobicContact CD1-CG 4.02Å; L169-E224 VanDerWaalsContact CD2-CD 3.42Å; L169-E224 WeakPolarHBondContact CD2-OE1 3.26Å; L169-E224 WeakPolarHBondContact CD2-OE2 3.42Å; L169-V370 HydrophobicContact CD2-CG1 4.18Å |
| 170 | F | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 177.5 | -66.9 | 0.1 | 0 | 0 | 0 | 111.4 | L145 L152 H166 L167 S172 F173 I174 V370 Y374 C375 | L145-F170 HydrophobicContact CD2-CB 4.04Å; L145-F170 HydrophobicContact CD2-CD1 3.91Å; L145-F170 HydrophobicContact CD2-CG 3.91Å; L152-F170 HydrophobicContact CD1-CD2 4.19Å; L152-F170 HydrophobicContact CD1-CE2 3.63Å; L152-F170 HydrophobicContact CD1-CZ 4.4Å; H166-F170 HydrophobicContact CB-CE1 4.48Å; H166-F170 WeakPolarHBondContact O-CD1 3.45Å; H166-F170 VanDerWaalsContact O-CG 3.24Å; H166-F170 WeakPolarHBondContact O-CG 3.24Å; H166-F170 PolarHBondContact O-N 3.03Å; L167-F170 PolarHBondContact O-N 2.85Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 3.46Å; F170-F173 PolarHBondContact O-N 3.09Å; F170-I174 VanDerWaalsContact O-CG1 3.31Å; F170-I174 WeakPolarHBondContact O-CG1 3.02Å; F170-I174 PolarHBondContact O-N 3.22Å; F170-V370 HydrophobicContact CD1-CG1 3.78Å; F170-V370 HydrophobicContact CE1-CG1 3.47Å; F170-V370 VanDerWaalsContact CE1-CG1 3.47Å; F170-Y374 HydrophobicContact CE1-CD2 4.4Å; F170-C375 HydrophobicContact CE2-CB 4.17Å; F170-C375 HydrophobicContact CZ-CB 4.32Å |
| 171 | I | 93.6 | Very high | 89 | Confident | 59 Ų | 59 | 28.9 Ų | 28.9 | 30% | 0.303 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 175 | -68.5 | 166.3 | 0 | 0 | 0 | 110.4 | L167 N168 L169 F173 I174 L175 W250 | L167-I171 HydrophobicContact CD1-CD1 4.48Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.66Å; N168-I171 PolarHBondContact O-N 3.03Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 3.14Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 2.8Å; I171-I174 PolarHBondContact O-N 3.06Å; I171-L175 HydrophobicContact CG2-CD1 3.76Å; I171-L175 HydrophobicContact CG2-CG 4.26Å; I171-L175 WeakPolarHBondContact O-CB 3.06Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.19Å; I171-L175 PolarHBondContact O-N 2.87Å; I171-W250 HydrophobicContact CG2-CH2 4.3Å; I171-W250 HydrophobicContact CG2-CZ2 4.3Å |
| 172 | S | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.5 | 84 | 0 | 0 | 0 | 0 | 112.5 | N168 L169 F170 R176 N217 | N168-S172 PolarHBondContact O-N 3.03Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 2.79Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.07Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 3.46Å; S172-R176 WeakPolarHBondContact O-CB 3.44Å; S172-R176 PolarHBondContact O-N 3.23Å; S172-N217 PolarHBondContact OG-ND2 3.3Å; S172-N217 VanDerWaalsContact OG-ND2 3.14Å |
| 173 | F | 91.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.9 | -39.1 | 175.9 | -85.1 | -73.3 | 0 | 0 | 0 | 112.6 | L145 L169 F170 I171 R176 A177 N217 L221 Q366 V370 | L145-F173 HydrophobicContact CD1-CB 3.48Å; L145-F173 VanDerWaalsContact CD1-CB 3.48Å; L145-F173 HydrophobicContact CD1-CG 4.42Å; L145-F173 HydrophobicContact CD2-CB 4.47Å; L169-F173 HydrophobicContact CD1-CD2 4.29Å; L169-F173 HydrophobicContact CD1-CE2 3.88Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 HydrophobicContact CG-CD2 4.09Å; L169-F173 HydrophobicContact CG-CE2 3.96Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 3.3Å; L169-F173 VanDerWaalsContact O-N 3.07Å; F170-F173 PolarHBondContact O-N 3.09Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 2.8Å; F173-R176 PolarHBondContact O-N 3.01Å; F173-A177 WeakPolarHBondContact O-CB 3.29Å; F173-A177 PolarHBondContact O-N 3.31Å; F173-N217 VanDerWaalsContact CD1-ND2 3.33Å; F173-N217 WeakPolarHBondContact CD1-ND2 3.42Å; F173-N217 WeakPolarHBondContact CD2-ND2 3.19Å; F173-N217 WeakPolarHBondContact CE1-ND2 3.32Å; F173-N217 WeakPolarHBondContact CE2-ND2 3.5Å; F173-N217 VanDerWaalsContact CG-ND2 3.35Å; F173-N217 WeakPolarHBondContact CG-ND2 3.41Å; F173-N217 WeakPolarHBondContact CZ-ND2 3.29Å; F173-L221 HydrophobicContact CE2-CD2 4.04Å; F173-L221 HydrophobicContact CE2-CG 4.46Å; F173-L221 HydrophobicContact CZ-CD1 4.15Å; F173-L221 HydrophobicContact CZ-CD2 4Å; F173-L221 HydrophobicContact CZ-CG 4.31Å; F173-Q366 HydrophobicContact CE1-CB 4.31Å; F173-Q366 HydrophobicContact CE1-CG 3.95Å; F173-Q366 HydrophobicContact CZ-CG 4.05Å; F173-V370 HydrophobicContact CD2-CG2 4.3Å; F173-V370 HydrophobicContact CE2-CG1 4.48Å; F173-V370 HydrophobicContact CE2-CG2 3.7Å; F173-V370 HydrophobicContact CZ-CG2 3.92Å |
| 174 | I | 92.9 | Very high | 87.8 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 16% | 0.159 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.3 | -50.7 | 173.9 | -71.9 | 167.2 | 0 | 0 | 0 | 109.5 | L142 L145 F170 I171 R176 A177 V178 | L142-I174 HydrophobicContact CD1-CB 4.28Å; L142-I174 HydrophobicContact CD1-CG1 4.32Å; L142-I174 HydrophobicContact CD1-CG2 3.78Å; L145-I174 HydrophobicContact CB-CD1 4.02Å; L145-I174 HydrophobicContact CB-CG1 3.69Å; L145-I174 HydrophobicContact CD1-CG1 4.28Å; F170-I174 VanDerWaalsContact O-CG1 3.31Å; F170-I174 WeakPolarHBondContact O-CG1 3.02Å; F170-I174 PolarHBondContact O-N 3.22Å; I171-I174 PolarHBondContact O-N 3.06Å; I174-R176 PolarHBondContact O-N 3.07Å; I174-A177 PolarHBondContact O-N 3.26Å; I174-V178 HydrophobicContact CG2-CG2 4.44Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.45Å; I174-V178 PolarHBondContact O-N 3.36Å |
| 175 | L | 92.6 | Very high | 87 | Confident | 50 Ų | 50 | 26.8 Ų | 26.8 | 26% | 0.262 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 179.9 | -70.1 | 168.7 | 0 | 0 | 0 | 111.8 | I171 V178 A179 F213 W250 | I171-L175 HydrophobicContact CG2-CD1 3.76Å; I171-L175 HydrophobicContact CG2-CG 4.26Å; I171-L175 WeakPolarHBondContact O-CB 3.06Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.19Å; I171-L175 PolarHBondContact O-N 2.87Å; L175-V178 PolarHBondContact O-N 3.31Å; L175-A179 VanDerWaalsContact O-CB 3.28Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 3.45Å; L175-F213 HydrophobicContact CB-CB 4.37Å; L175-F213 HydrophobicContact CB-CD1 3.59Å; L175-F213 HydrophobicContact CB-CE1 3.91Å; L175-F213 HydrophobicContact CB-CG 3.93Å; L175-F213 HydrophobicContact CB-CZ 4.47Å; L175-F213 HydrophobicContact CD1-CD1 4.02Å; L175-F213 HydrophobicContact CD1-CE1 3.79Å; L175-F213 HydrophobicContact CD2-CE1 3.96Å; L175-F213 HydrophobicContact CD2-CZ 4.05Å; L175-F213 HydrophobicContact CG-CD1 4.25Å; L175-F213 HydrophobicContact CG-CE1 4.1Å; L175-W250 HydrophobicContact CD1-CH2 3.72Å; L175-W250 HydrophobicContact CD1-CZ3 4.1Å |
| 176 | R | 90.3 | Very high | 86 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.8 | 179.6 | 179.4 | 173.4 | -169 | -2.6 | 111.8 | S172 F173 I174 A179 V180 I214 N217 Y342 | S172-R176 WeakPolarHBondContact O-CB 3.44Å; S172-R176 PolarHBondContact O-N 3.23Å; F173-R176 PolarHBondContact O-N 3.01Å; I174-R176 PolarHBondContact O-N 3.07Å; R176-A179 PolarHBondContact O-N 3.05Å; R176-V180 VanDerWaalsContact O-CG2 3.31Å; R176-V180 WeakPolarHBondContact O-CG2 3.35Å; R176-V180 PolarHBondContact O-N 2.7Å; R176-I214 HydrophobicContact CG-CG1 4.27Å; R176-N217 HydrophobicContact CB-CB 4.32Å; R176-N217 VanDerWaalsContact CD-OD1 3.31Å; R176-N217 WeakPolarHBondContact CD-OD1 3.15Å; R176-N217 PolarHBondContact NH1-OD1 2.86Å; R176-Y342 PolarHBondContact NH2-OH 3.11Å |
| 177 | A | 89.1 | Confident | 84.6 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H138 F173 I174 A179 V180 L181 | H138-A177 HydrophobicContact CB-CB 4.47Å; F173-A177 WeakPolarHBondContact O-CB 3.29Å; F173-A177 PolarHBondContact O-N 3.31Å; I174-A177 PolarHBondContact O-N 3.26Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.36Å; A177-V180 PolarHBondContact O-N 3.28Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 3.31Å |
| 178 | V | 90.1 | Very high | 83 | Confident | 61 Ų | 61 | 32.6 Ų | 32.6 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L142 I174 L175 V180 L181 V182 | L142-V178 HydrophobicContact CD1-CG2 3.96Å; I174-V178 HydrophobicContact CG2-CG2 4.44Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.45Å; I174-V178 PolarHBondContact O-N 3.36Å; L175-V178 PolarHBondContact O-N 3.31Å; V178-V180 PolarHBondContact O-N 3.07Å; V178-L181 PolarHBondContact O-N 3.29Å; V178-V182 HydrophobicContact CG1-CG2 4.11Å; V178-V182 WeakPolarHBondContact O-CB 3.42Å; V178-V182 WeakPolarHBondContact O-CG2 2.98Å; V178-V182 PolarHBondContact O-N 2.95Å |
| 179 | A | 87.3 | Confident | 81 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 5% | 0.05 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L175 R176 A177 K183 F210 F213 | L175-A179 VanDerWaalsContact O-CB 3.28Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 3.45Å; R176-A179 PolarHBondContact O-N 3.05Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.36Å; A179-K183 WeakPolarHBondContact O-CB 3.33Å; A179-K183 PolarHBondContact O-N 3.38Å; A179-F210 HydrophobicContact CB-CD2 4.4Å; A179-F213 HydrophobicContact CB-CB 4.12Å; A179-F213 HydrophobicContact CB-CD2 3.61Å; A179-F213 HydrophobicContact CB-CG 4.32Å |
| 180 | V | 80.8 | Confident | 79 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | R176 A177 V178 V182 K183 D184 F210 | R176-V180 VanDerWaalsContact O-CG2 3.31Å; R176-V180 WeakPolarHBondContact O-CG2 3.35Å; R176-V180 PolarHBondContact O-N 2.7Å; A177-V180 PolarHBondContact O-N 3.28Å; V178-V180 PolarHBondContact O-N 3.07Å; V180-V182 VanDerWaalsContact C-N 3.33Å; V180-V182 PolarHBondContact O-N 3.47Å; V180-K183 WeakPolarHBondContact O-CB 3.29Å; V180-K183 PolarHBondContact O-N 3.29Å; V180-D184 PolarHBondContact O-N 3.18Å; V180-F210 HydrophobicContact CG2-CD2 4.48Å; V180-F210 HydrophobicContact CG2-CE2 3.87Å |
| 181 | L | 83.4 | Confident | 76.7 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 179.8 | -68.5 | 174.8 | 0 | 0 | 0 | 112.8 | T135 L142 A177 V178 D184 A185 | T135-L181 HydrophobicContact CG2-CD2 4.26Å; L142-L181 HydrophobicContact CD2-CD1 4.49Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 3.31Å; V178-L181 PolarHBondContact O-N 3.29Å; L181-D184 PolarHBondContact O-N 3.09Å; L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 3.02Å |
| 182 | V | 82.8 | Confident | 74 | Confident | 63 Ų | 63 | 44.1 Ų | 44.1 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.1 | -42.8 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | V178 V180 D184 A185 I186 | V178-V182 HydrophobicContact CG1-CG2 4.11Å; V178-V182 WeakPolarHBondContact O-CB 3.42Å; V178-V182 WeakPolarHBondContact O-CG2 2.98Å; V178-V182 PolarHBondContact O-N 2.95Å; V180-V182 VanDerWaalsContact C-N 3.33Å; V180-V182 PolarHBondContact O-N 3.47Å; V182-D184 VanDerWaalsContact C-N 3.32Å; V182-D184 PolarHBondContact O-N 2.95Å; V182-A185 PolarHBondContact O-N 3.45Å; V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CB 3.35Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.96Å |
| 183 | K | 75.6 | Confident | 71.6 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.1 | -171 | -164.9 | 103.3 | 81.7 | 0 | 110.2 | A179 V180 I186 V187 F210 E274 | A179-K183 WeakPolarHBondContact O-CB 3.33Å; A179-K183 PolarHBondContact O-N 3.38Å; V180-K183 WeakPolarHBondContact O-CB 3.29Å; V180-K183 PolarHBondContact O-N 3.29Å; K183-I186 PolarHBondContact O-N 3.19Å; K183-V187 HydrophobicContact CG-CG2 4.41Å; K183-V187 WeakPolarHBondContact O-CB 3.45Å; K183-V187 VanDerWaalsContact O-CG2 3.22Å; K183-V187 WeakPolarHBondContact O-CG2 3.37Å; K183-V187 PolarHBondContact O-N 3.25Å; K183-F210 HydrophobicContact CB-CD2 4.26Å; K183-F210 HydrophobicContact CD-CD1 4.29Å; K183-F210 HydrophobicContact CD-CD2 3.92Å; K183-F210 HydrophobicContact CD-CE1 4.16Å; K183-F210 HydrophobicContact CD-CE2 3.77Å; K183-F210 HydrophobicContact CD-CG 4.16Å; K183-F210 HydrophobicContact CD-CZ 3.88Å; K183-E274 IonicContact NZ-OE1 3.74Å |
| 184 | D | 70.2 | Confident | 69.7 | Low | 23 Ų | 23 | 53 Ų | 53 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 179.7 | -67.5 | -26.1 | 0 | 0 | 0 | 110.8 | Y134 V180 L181 V182 I186 V187 F188 | Y134-D184 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D184 VanDerWaalsContact OH-CG 3.29Å; Y134-D184 PolarHBondContact OH-OD2 3.26Å; V180-D184 PolarHBondContact O-N 3.18Å; L181-D184 PolarHBondContact O-N 3.09Å; V182-D184 VanDerWaalsContact C-N 3.32Å; V182-D184 PolarHBondContact O-N 2.95Å; D184-I186 VanDerWaalsContact C-N 3.27Å; D184-I186 PolarHBondContact O-N 3.44Å; D184-V187 PolarHBondContact O-N 3.11Å; D184-F188 HydrophobicContact CB-CD2 4Å; D184-F188 HydrophobicContact CB-CE2 4.01Å; D184-F188 WeakPolarHBondContact O-CB 3.45Å; D184-F188 WeakPolarHBondContact O-CD2 3.17Å; D184-F188 PolarHBondContact O-N 3.44Å |
| 185 | A | 71.1 | Confident | 67.3 | Low | 58 Ų | 58 | 56.4 Ų | 56.4 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L181 V182 N189 | L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 3.02Å; V182-A185 PolarHBondContact O-N 3.45Å; A185-N189 WeakPolarHBondContact O-CB 3.17Å; A185-N189 PolarHBondContact O-N 2.91Å |
| 186 | I | 66.9 | Low | 65 | Low | 50 Ų | 50 | 61 Ų | 61 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 177.4 | -68.7 | 166.2 | 0 | 0 | 0 | 111.3 | V182 K183 D184 R190 S206 | V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CB 3.35Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.96Å; K183-I186 PolarHBondContact O-N 3.19Å; D184-I186 VanDerWaalsContact C-N 3.27Å; D184-I186 PolarHBondContact O-N 3.44Å; I186-R190 PolarHBondContact O-N 2.76Å; I186-S206 VanDerWaalsContact CD1-CB 3.5Å; I186-S206 VanDerWaalsContact CD1-OG 3.31Å; I186-S206 WeakPolarHBondContact CD1-OG 3.46Å |
| 187 | V | 60.3 | Low | 62.9 | Low | 40 Ų | 40 | 67.9 Ų | 67.9 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | T20 K183 D184 R190 | T20-V187 HydrophobicContact CG2-CG1 4.42Å; K183-V187 HydrophobicContact CG-CG2 4.41Å; K183-V187 WeakPolarHBondContact O-CB 3.45Å; K183-V187 VanDerWaalsContact O-CG2 3.22Å; K183-V187 WeakPolarHBondContact O-CG2 3.37Å; K183-V187 PolarHBondContact O-N 3.25Å; D184-V187 PolarHBondContact O-N 3.11Å; V187-R190 VanDerWaalsContact O-CB 3.24Å; V187-R190 WeakPolarHBondContact O-CB 3.31Å; V187-R190 PolarHBondContact O-N 3.07Å |
| 188 | F | 55.5 | Low | 61 | Low | 77 Ų | 77 | 70.8 Ų | 70.8 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.3 | -35.7 | 177.8 | -72.2 | -67.4 | 0 | 0 | 0 | 112.6 | D184 R190 S191 | D184-F188 HydrophobicContact CB-CD2 4Å; D184-F188 HydrophobicContact CB-CE2 4.01Å; D184-F188 WeakPolarHBondContact O-CB 3.45Å; D184-F188 WeakPolarHBondContact O-CD2 3.17Å; D184-F188 PolarHBondContact O-N 3.44Å; F188-R190 PolarHBondContact O-N 3.42Å; F188-S191 WeakPolarHBondContact O-CB 3.47Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 PolarHBondContact O-OG 2.94Å |
| 189 | N | 50.1 | Low | 59.5 | Low | 117 Ų | 117 | 71.7 Ų | 71.7 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.1 | -22.7 | 175.5 | -164.4 | 30.1 | 0 | 0 | 0 | 112 | A185 S191 S192 | A185-N189 WeakPolarHBondContact O-CB 3.17Å; A185-N189 PolarHBondContact O-N 2.91Å; N189-S191 PolarHBondContact O-N 3.31Å; N189-S191 VanDerWaalsContact O-N 3.13Å; N189-S192 PolarHBondContact O-N 2.96Å |
| 190 | R | 49.5 | Very low | 58.6 | Low | 65 Ų | 65 | 75.2 Ų | 75.2 | 25% | 0.245 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.1 | 168.8 | -146.3 | 175.3 | -171.3 | 142 | 6.8 | 113.9 | I186 V187 F188 | I186-R190 PolarHBondContact O-N 2.76Å; V187-R190 VanDerWaalsContact O-CB 3.24Å; V187-R190 WeakPolarHBondContact O-CB 3.31Å; V187-R190 PolarHBondContact O-N 3.07Å; F188-R190 PolarHBondContact O-N 3.42Å |
| 191 | S | 43.7 | Very low | 58.2 | Low | 66 Ų | 66 | 79.6 Ų | 79.6 | 46% | 0.462 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 1 | 179.4 | 73 | 0 | 0 | 0 | 0 | 114.8 | F188 N189 | F188-S191 WeakPolarHBondContact O-CB 3.47Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 PolarHBondContact O-OG 2.94Å; N189-S191 PolarHBondContact O-N 3.31Å; N189-S191 VanDerWaalsContact O-N 3.13Å |
| 192 | S | 37.2 | Very low | 57.7 | Low | 75 Ų | 75 | 78.9 Ų | 78.9 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -141.1 | 153.8 | 176 | 71.7 | 0 | 0 | 0 | 0 | 113 | N189 | N189-S192 PolarHBondContact O-N 2.96Š|
| 193 | P | 43.8 | Very low | 57.5 | Low | 110 Ų | 110 | 76.4 Ų | 76.4 | 71% | 0.714 | 45% | 0.454 | S | S | * | . | -63.6 | 152.5 | -97.3 | 32.2 | -20.5 | 0 | 0 | 0 | 114.4 | S195 | P193-S195 PolarHBondContact O-N 3.42Š| |||
| 194 | C | 50.7 | Low | 57.6 | Low | 87 Ų | 87 | 75.6 Ų | 75.6 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 22.8 | -174 | -57.1 | 0 | 0 | 0 | 0 | 118.2 | C25 L28 | C25-C194 VanDerWaalsContact SG-SG 3.62Å; L28-C194 HydrophobicContact CD2-CB 4.16Å |
| 195 | S | 42.3 | Very low | 58.2 | Low | 101 Ų | 101 | 76.3 Ų | 76.3 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -18.4 | -173.2 | -154.4 | 0 | 0 | 0 | 0 | 114.7 | P193 | P193-S195 PolarHBondContact O-N 3.42Š|
| 196 | N | 44.2 | Very low | 58.7 | Low | 146 Ų | 146 | 74.3 Ų | 74.3 | 78% | 0.781 | 44% | 0.441 | S | S | * | . | trans | -122.3 | 91.2 | 179.2 | -71.8 | -22 | 0 | 0 | 0 | 109.6 | P198 | N196-P198 WeakPolarHBondContact O-CD 3.39Š| ||
| 197 | Q | 47.3 | Very low | 59.4 | Low | 168 Ų | 168 | 72.5 Ų | 72.5 | 79% | 0.785 | 43% | 0.432 | S | S | * | . | trans | -59.1 | 109.7 | 171.3 | -149.7 | 173 | 11.5 | 0 | 0 | 107.4 | S199 | Q197-S199 PolarHBondContact O-N 3.15Š| ||
| 198 | P | 48.8 | Very low | 60.8 | Low | 63 Ų | 63 | 72.2 Ų | 72.2 | 41% | 0.409 | 43% | 0.43 | S | S | . | . | trans | -57.1 | 135.2 | 167.3 | 24.6 | -31.2 | 0 | 0 | 0 | 106.7 | N196 L200 | N196-P198 WeakPolarHBondContact O-CD 3.39Å; P198-L200 PolarHBondContact O-N 3.41Å; P198-L200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | S | 58.4 | Low | 62.3 | Low | 80 Ų | 80 | 74.1 Ų | 74.1 | 56% | 0.559 | 44% | 0.439 | S | S | * | . | trans | -45.7 | 124.8 | -174.3 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | Q197 V201 G202 C203 | Q197-S199 PolarHBondContact O-N 3.15Å; S199-V201 PolarHBondContact O-N 2.88Å; S199-G202 WeakPolarHBondContact O-CA 3.5Å; S199-G202 PolarHBondContact O-N 3.19Å; S199-G202 PolarHBondContact OG-N 3.2Å; S199-C203 PolarHBondContact O-N 3.27Å | ||
| 200 | L | 68.6 | Low | 64.1 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.414 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -48.7 | -33.7 | 178.4 | -174.3 | 66.1 | 0 | 0 | 0 | 111.3 | P198 C203 K204 G271 | P198-L200 PolarHBondContact O-N 3.41Å; P198-L200 VanDerWaalsContact O-N 3.13Å; L200-C203 PolarHBondContact O-N 3.36Å; L200-K204 WeakPolarHBondContact O-CG 3.33Å; L200-K204 PolarHBondContact O-N 3.33Å; L200-K204 VanDerWaalsContact O-N 3.13Å; L200-G271 WeakPolarHBondContact CD1-O 3.45Å |
| 201 | V | 72.6 | Confident | 65.9 | Low | 112 Ų | 112 | 68.7 Ų | 68.7 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | S199 C203 K204 A205 | S199-V201 PolarHBondContact O-N 2.88Å; V201-C203 PolarHBondContact O-N 3.45Å; V201-K204 PolarHBondContact O-N 2.91Å; V201-A205 VanDerWaalsContact O-CB 3.29Å; V201-A205 WeakPolarHBondContact O-CB 3.35Å; V201-A205 PolarHBondContact O-N 2.9Å |
| 202 | G | 73.1 | Confident | 68.2 | Low | 31 Ų | 31 | 67.9 Ų | 67.9 | 32% | 0.32 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S199 S206 | S199-G202 WeakPolarHBondContact O-CA 3.5Å; S199-G202 PolarHBondContact O-N 3.19Å; S199-G202 PolarHBondContact OG-N 3.2Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.91Å |
| 203 | C | 77 | Confident | 70.8 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 174.5 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | S199 L200 V201 S206 L207 C272 | S199-C203 PolarHBondContact O-N 3.27Å; L200-C203 PolarHBondContact O-N 3.36Å; V201-C203 PolarHBondContact O-N 3.45Å; C203-S206 PolarHBondContact O-N 3.47Å; C203-L207 PolarHBondContact O-N 2.81Å; C203-L207 VanDerWaalsContact O-N 3.16Å; C203-C272 VanDerWaalsContact C-SG 3.58Å; C203-C272 HydrophobicContact CB-CB 4.01Å; C203-C272 WeakPolarHBondContact CB-SG 3.44Å; C203-C272 WeakPolarHBondContact SG-CB 3.38Å; C203-C272 CovalentContact SG-SG 2.03Å; C203-C272 PolarHBondContact SG-SG 2.03Å |
| 204 | K | 78.6 | Confident | 72.9 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 175.3 | -70.4 | 178.3 | -178.7 | -176.1 | 0 | 111.4 | L200 V201 S206 L207 V208 D269 G271 W273 | L200-K204 WeakPolarHBondContact O-CG 3.33Å; L200-K204 PolarHBondContact O-N 3.33Å; L200-K204 VanDerWaalsContact O-N 3.13Å; V201-K204 PolarHBondContact O-N 2.91Å; K204-S206 PolarHBondContact O-N 2.98Å; K204-L207 PolarHBondContact O-N 3.4Å; K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.01Å; K204-D269 IonicContact NZ-OD1 3Å; K204-D269 PolarHBondContact NZ-OD1 3.26Å; K204-D269 IonicContact NZ-OD2 3.84Å; K204-D269 PolarHBondContact NZ-OD2 3.48Å; K204-G271 WeakPolarHBondContact CE-O 3.09Å; K204-W273 HydrophobicContact CB-CD2 4.48Å; K204-W273 HydrophobicContact CB-CE3 4.32Å; K204-W273 HydrophobicContact CB-CZ3 4.48Å; K204-W273 HydrophobicContact CD-CD2 4.46Å; K204-W273 HydrophobicContact CD-CZ2 4.13Å; K204-W273 HydrophobicContact CG-CD2 4.15Å; K204-W273 HydrophobicContact CG-CE3 4.48Å; K204-W273 HydrophobicContact CG-CG 4.43Å |
| 205 | A | 82.6 | Confident | 74.7 | Confident | 37 Ų | 37 | 58 Ų | 58 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V201 L207 V208 F209 | V201-A205 VanDerWaalsContact O-CB 3.29Å; V201-A205 WeakPolarHBondContact O-CB 3.35Å; V201-A205 PolarHBondContact O-N 2.9Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.07Å; A205-V208 PolarHBondContact O-N 2.89Å; A205-F209 HydrophobicContact CB-CE2 4.41Å; A205-F209 WeakPolarHBondContact O-CD2 3.38Å; A205-F209 PolarHBondContact O-N 3.24Å |
| 206 | S | 81.6 | Confident | 77.1 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 178 | -173.1 | 0 | 0 | 0 | 0 | 112.8 | I186 G202 C203 K204 F209 F210 | I186-S206 VanDerWaalsContact CD1-CB 3.5Å; I186-S206 VanDerWaalsContact CD1-OG 3.31Å; I186-S206 WeakPolarHBondContact CD1-OG 3.46Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.91Å; C203-S206 PolarHBondContact O-N 3.47Å; K204-S206 PolarHBondContact O-N 2.98Å; S206-F209 PolarHBondContact O-N 2.99Å; S206-F210 VanDerWaalsContact O-CB 3.31Å; S206-F210 WeakPolarHBondContact O-CB 3.43Å; S206-F210 PolarHBondContact O-N 3.41Å |
| 207 | L | 81.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 176.1 | -80.3 | 161.3 | 0 | 0 | 0 | 111.8 | C203 K204 A205 F209 F210 H211 C272 W273 E274 | C203-L207 PolarHBondContact O-N 2.81Å; C203-L207 VanDerWaalsContact O-N 3.16Å; K204-L207 PolarHBondContact O-N 3.4Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.07Å; L207-F209 PolarHBondContact O-N 2.95Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.93Å; L207-H211 PolarHBondContact O-CD2 3.33Å; L207-H211 PolarHBondContact O-N 3.3Å; L207-C272 WeakPolarHBondContact CD1-SG 3.22Å; L207-W273 HydrophobicContact CD1-CB 4.11Å; L207-E274 HydrophobicContact CD1-CB 4.33Å |
| 208 | V | 88.5 | Confident | 81.2 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | K204 A205 F210 H211 Y212 V257 W260 V261 W273 | K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.01Å; A205-V208 PolarHBondContact O-N 2.89Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 3.36Å; V208-H211 PolarHBondContact O-N 3.29Å; V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 3.15Å; V208-V257 HydrophobicContact CG1-CG1 3.95Å; V208-W260 HydrophobicContact CG2-CZ3 4.12Å; V208-V261 HydrophobicContact CG1-CG2 3.92Å; V208-V261 HydrophobicContact CG2-CG2 3.75Å; V208-W273 HydrophobicContact CG2-CE3 4.01Å; V208-W273 HydrophobicContact CG2-CZ3 3.6Å |
| 209 | F | 88.8 | Confident | 83.3 | Confident | 117 Ų | 117 | 36.3 Ų | 36.3 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.9 | -76.1 | -60.3 | 0 | 0 | 0 | 112 | A205 S206 L207 Y212 F213 | A205-F209 HydrophobicContact CB-CE2 4.41Å; A205-F209 WeakPolarHBondContact O-CD2 3.38Å; A205-F209 PolarHBondContact O-N 3.24Å; S206-F209 PolarHBondContact O-N 2.99Å; L207-F209 PolarHBondContact O-N 2.95Å; F209-Y212 PolarHBondContact O-N 3.16Å; F209-F213 HydrophobicContact CB-CD2 4.16Å; F209-F213 HydrophobicContact CB-CE2 3.84Å; F209-F213 AromaticContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CZ 4.11Å; F209-F213 HydrophobicContact CG-CE2 4.27Å; F209-F213 WeakPolarHBondContact O-CD2 3.47Å; F209-F213 WeakPolarHBondContact O-CG 3.48Å; F209-F213 PolarHBondContact O-N 3.01Å |
| 210 | F | 87.2 | Confident | 84.9 | Confident | 36 Ų | 36 | 32.5 Ų | 32.5 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.8 | -51.5 | 176 | 174 | -100.4 | 0 | 0 | 0 | 112.3 | A179 V180 K183 S206 L207 V208 Y212 F213 I214 | A179-F210 HydrophobicContact CB-CD2 4.4Å; V180-F210 HydrophobicContact CG2-CD2 4.48Å; V180-F210 HydrophobicContact CG2-CE2 3.87Å; K183-F210 HydrophobicContact CB-CD2 4.26Å; K183-F210 HydrophobicContact CD-CD1 4.29Å; K183-F210 HydrophobicContact CD-CD2 3.92Å; K183-F210 HydrophobicContact CD-CE1 4.16Å; K183-F210 HydrophobicContact CD-CE2 3.77Å; K183-F210 HydrophobicContact CD-CG 4.16Å; K183-F210 HydrophobicContact CD-CZ 3.88Å; S206-F210 VanDerWaalsContact O-CB 3.31Å; S206-F210 WeakPolarHBondContact O-CB 3.43Å; S206-F210 PolarHBondContact O-N 3.41Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.93Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 3.36Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 2.98Å; F210-F213 PolarHBondContact O-N 3.41Å; F210-I214 HydrophobicContact CD1-CD1 3.86Å; F210-I214 HydrophobicContact CD2-CD1 3.98Å; F210-I214 HydrophobicContact CE1-CD1 3.38Å; F210-I214 HydrophobicContact CE2-CD1 3.52Å; F210-I214 HydrophobicContact CE2-CG1 4.45Å; F210-I214 HydrophobicContact CG-CD1 4.14Å; F210-I214 HydrophobicContact CZ-CD1 3.2Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 3.36Å |
| 211 | H | 87.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 15% | 0.148 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.8 | -73.6 | -61.5 | 0 | 0 | 0 | 112.4 | L207 V208 M215 W260 I285 | L207-H211 PolarHBondContact O-CD2 3.33Å; L207-H211 PolarHBondContact O-N 3.3Å; V208-H211 PolarHBondContact O-N 3.29Å; H211-M215 WeakPolarHBondContact O-CB 3.45Å; H211-M215 PolarHBondContact O-N 3.44Å; H211-W260 AromaticContact CD2-CH2 3.56Å; H211-W260 AromaticContact CD2-CZ2 3.98Å; H211-W260 AromaticContact NE2-CH2 3.96Å; H211-I285 HydrophobicContact CB-CD1 4.02Å; H211-I285 HydrophobicContact CB-CG1 4.4Å |
| 212 | Y | 91.9 | Very high | 86.5 | Confident | 49 Ų | 49 | 24.1 Ų | 24.1 | 19% | 0.192 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 176.4 | 174.7 | -105.7 | 0 | 0 | 0 | 112.8 | V208 F209 F210 I214 M215 A216 P253 T254 V257 | V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 3.15Å; F209-Y212 PolarHBondContact O-N 3.16Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 2.98Å; Y212-I214 PolarHBondContact O-N 3.3Å; Y212-M215 PolarHBondContact O-N 3.49Å; Y212-A216 VanDerWaalsContact O-CB 3.25Å; Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 2.82Å; Y212-P253 HydrophobicContact CD2-CB 4.14Å; Y212-P253 HydrophobicContact CE2-CB 3.95Å; Y212-T254 WeakPolarHBondContact CE2-OG1 3.25Å; Y212-V257 HydrophobicContact CD2-CG2 4.39Å |
| 213 | F | 91.9 | Very high | 87.3 | Confident | 36 Ų | 36 | 22.7 Ų | 22.7 | 16% | 0.158 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.8 | -31.6 | -177.3 | -64.4 | -48.9 | 0 | 0 | 0 | 113 | L175 A179 F209 F210 N217 | L175-F213 HydrophobicContact CB-CB 4.37Å; L175-F213 HydrophobicContact CB-CD1 3.59Å; L175-F213 HydrophobicContact CB-CE1 3.91Å; L175-F213 HydrophobicContact CB-CG 3.93Å; L175-F213 HydrophobicContact CB-CZ 4.47Å; L175-F213 HydrophobicContact CD1-CD1 4.02Å; L175-F213 HydrophobicContact CD1-CE1 3.79Å; L175-F213 HydrophobicContact CD2-CE1 3.96Å; L175-F213 HydrophobicContact CD2-CZ 4.05Å; L175-F213 HydrophobicContact CG-CD1 4.25Å; L175-F213 HydrophobicContact CG-CE1 4.1Å; A179-F213 HydrophobicContact CB-CB 4.12Å; A179-F213 HydrophobicContact CB-CD2 3.61Å; A179-F213 HydrophobicContact CB-CG 4.32Å; F209-F213 HydrophobicContact CB-CD2 4.16Å; F209-F213 HydrophobicContact CB-CE2 3.84Å; F209-F213 AromaticContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CZ 4.11Å; F209-F213 HydrophobicContact CG-CE2 4.27Å; F209-F213 WeakPolarHBondContact O-CD2 3.47Å; F209-F213 WeakPolarHBondContact O-CG 3.48Å; F209-F213 PolarHBondContact O-N 3.01Å; F210-F213 PolarHBondContact O-N 3.41Å; F213-N217 WeakPolarHBondContact O-CB 3.39Å; F213-N217 PolarHBondContact O-N 2.91Å |
| 214 | I | 86.8 | Confident | 87.8 | Confident | 28 Ų | 28 | 22.4 Ų | 22.4 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -51.1 | 170.3 | -72 | 173 | 0 | 0 | 0 | 110.4 | R176 F210 Y212 N217 F218 | R176-I214 HydrophobicContact CG-CG1 4.27Å; F210-I214 HydrophobicContact CD1-CD1 3.86Å; F210-I214 HydrophobicContact CD2-CD1 3.98Å; F210-I214 HydrophobicContact CE1-CD1 3.38Å; F210-I214 HydrophobicContact CE2-CD1 3.52Å; F210-I214 HydrophobicContact CE2-CG1 4.45Å; F210-I214 HydrophobicContact CG-CD1 4.14Å; F210-I214 HydrophobicContact CZ-CD1 3.2Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 3.36Å; Y212-I214 PolarHBondContact O-N 3.3Å; I214-N217 WeakPolarHBondContact O-CB 3.48Å; I214-N217 PolarHBondContact O-N 3.46Å; I214-F218 HydrophobicContact CG2-CD2 3.97Å; I214-F218 HydrophobicContact CG2-CE2 3.68Å; I214-F218 VanDerWaalsContact O-CD2 3.24Å; I214-F218 WeakPolarHBondContact O-CD2 3.48Å; I214-F218 PolarHBondContact O-N 2.99Å |
| 215 | M | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | -179.1 | -171.7 | 175.7 | -72 | 0 | 0 | 110.9 | H211 Y212 N217 F218 F219 P253 F256 V257 I285 P288 I289 | H211-M215 WeakPolarHBondContact O-CB 3.45Å; H211-M215 PolarHBondContact O-N 3.44Å; Y212-M215 PolarHBondContact O-N 3.49Å; M215-N217 PolarHBondContact O-N 3.3Å; M215-F218 PolarHBondContact O-N 3.16Å; M215-F219 HydrophobicContact CG-CD2 3.7Å; M215-F219 HydrophobicContact CG-CE2 3.62Å; M215-F219 WeakPolarHBondContact O-CD2 3.29Å; M215-F219 PolarHBondContact O-N 3.05Å; M215-F219 HydrophobicContact SD-CE2 4.17Å; M215-P253 HydrophobicContact CB-CB 4.29Å; M215-P253 HydrophobicContact CG-CB 3.97Å; M215-P253 HydrophobicContact CG-CG 4.35Å; M215-P253 HydrophobicContact SD-CB 4.18Å; M215-F256 HydrophobicContact CE-CB 4.07Å; M215-F256 HydrophobicContact SD-CB 3.65Å; M215-F256 HydrophobicContact SD-CD2 4.36Å; M215-F256 HydrophobicContact SD-CG 4.4Å; M215-V257 HydrophobicContact CE-CG2 4.48Å; M215-V257 HydrophobicContact SD-CG2 4.18Å; M215-I285 HydrophobicContact CE-CD1 3.56Å; M215-I285 HydrophobicContact CE-CG1 4.39Å; M215-P288 HydrophobicContact CE-CB 4.24Å; M215-I289 HydrophobicContact CE-CD1 4.37Å; M215-I289 HydrophobicContact CE-CG1 4Å |
| 216 | A | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.3 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y212 F219 W220 W250 P253 | Y212-A216 VanDerWaalsContact O-CB 3.25Å; Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 2.82Å; A216-F219 PolarHBondContact O-N 3.01Å; A216-W220 WeakPolarHBondContact O-CB 3.39Å; A216-W220 VanDerWaalsContact O-CD1 3.25Å; A216-W220 PolarHBondContact O-N 3.28Å; A216-W250 HydrophobicContact CB-CE3 4.03Å; A216-W250 HydrophobicContact CB-CZ3 3.86Å; A216-P253 HydrophobicContact CB-CB 4.28Å; A216-P253 HydrophobicContact CB-CG 4.22Å |
| 217 | N | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.4 | 179.8 | -119.4 | 0 | 0 | 0 | 112.6 | S172 F173 R176 F213 I214 M215 W220 L221 | S172-N217 PolarHBondContact OG-ND2 3.3Å; S172-N217 VanDerWaalsContact OG-ND2 3.14Å; F173-N217 VanDerWaalsContact CD1-ND2 3.33Å; F173-N217 WeakPolarHBondContact CD1-ND2 3.42Å; F173-N217 WeakPolarHBondContact CD2-ND2 3.19Å; F173-N217 WeakPolarHBondContact CE1-ND2 3.32Å; F173-N217 WeakPolarHBondContact CE2-ND2 3.5Å; F173-N217 VanDerWaalsContact CG-ND2 3.35Å; F173-N217 WeakPolarHBondContact CG-ND2 3.41Å; F173-N217 WeakPolarHBondContact CZ-ND2 3.29Å; R176-N217 HydrophobicContact CB-CB 4.32Å; R176-N217 VanDerWaalsContact CD-OD1 3.31Å; R176-N217 WeakPolarHBondContact CD-OD1 3.15Å; R176-N217 PolarHBondContact NH1-OD1 2.86Å; F213-N217 WeakPolarHBondContact O-CB 3.39Å; F213-N217 PolarHBondContact O-N 2.91Å; I214-N217 WeakPolarHBondContact O-CB 3.48Å; I214-N217 PolarHBondContact O-N 3.46Å; M215-N217 PolarHBondContact O-N 3.3Å; N217-W220 PolarHBondContact O-N 2.89Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.41Å |
| 218 | F | 87.9 | Confident | 88.5 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 175.7 | -74.9 | -67.1 | 0 | 0 | 0 | 113.1 | I214 M215 L221 L222 I289 I293 N296 Y342 | I214-F218 HydrophobicContact CG2-CD2 3.97Å; I214-F218 HydrophobicContact CG2-CE2 3.68Å; I214-F218 VanDerWaalsContact O-CD2 3.24Å; I214-F218 WeakPolarHBondContact O-CD2 3.48Å; I214-F218 PolarHBondContact O-N 2.99Å; M215-F218 PolarHBondContact O-N 3.16Å; F218-L221 HydrophobicContact CD1-CD1 4.48Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.91Å; F218-L222 PolarHBondContact O-N 3.46Å; F218-I289 HydrophobicContact CD2-CG2 3.87Å; F218-I289 HydrophobicContact CE2-CG2 3.78Å; F218-I289 HydrophobicContact CZ-CG2 4.4Å; F218-I293 HydrophobicContact CD1-CG1 4Å; F218-I293 HydrophobicContact CE1-CD1 4.02Å; F218-I293 HydrophobicContact CE1-CG1 3.86Å; F218-I293 HydrophobicContact CZ-CD1 4.14Å; F218-I293 HydrophobicContact CZ-CG1 4.46Å; F218-N296 PolarHBondContact O-ND2 3.08Å; F218-Y342 AromaticContact CE1-CD2 3.79Å; F218-Y342 HydrophobicContact CE1-CD2 3.79Å; F218-Y342 AromaticContact CE1-CE2 3.57Å; F218-Y342 HydrophobicContact CE1-CE2 3.57Å; F218-Y342 AromaticContact CZ-CD2 3.92Å; F218-Y342 HydrophobicContact CZ-CD2 3.92Å; F218-Y342 AromaticContact CZ-CE2 3.48Å; F218-Y342 HydrophobicContact CZ-CE2 3.48Å; F218-Y342 VanDerWaalsContact CZ-CE2 3.48Å; F218-Y342 AromaticContact CZ-CZ 3.9Å |
| 219 | F | 91.1 | Very high | 88.2 | Confident | 16 Ų | 16 | 25.1 Ų | 25.1 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.4 | -34.8 | 176 | -84.5 | -89.1 | 0 | 0 | 0 | 112.3 | M215 A216 L222 V223 I248 I252 P253 F256 | M215-F219 HydrophobicContact CG-CD2 3.7Å; M215-F219 HydrophobicContact CG-CE2 3.62Å; M215-F219 WeakPolarHBondContact O-CD2 3.29Å; M215-F219 PolarHBondContact O-N 3.05Å; M215-F219 HydrophobicContact SD-CE2 4.17Å; A216-F219 PolarHBondContact O-N 3.01Å; F219-L222 HydrophobicContact CD1-CD2 4.31Å; F219-L222 WeakPolarHBondContact O-CB 2.98Å; F219-L222 PolarHBondContact O-N 3.45Å; F219-V223 WeakPolarHBondContact O-CG2 3.15Å; F219-V223 PolarHBondContact O-N 3.46Å; F219-I248 HydrophobicContact CD1-CG2 4.39Å; F219-I252 HydrophobicContact CD1-CB 4.28Å; F219-I252 HydrophobicContact CD1-CG2 4.16Å; F219-I252 HydrophobicContact CE1-CB 4Å; F219-I252 HydrophobicContact CE1-CD1 4.4Å; F219-I252 HydrophobicContact CE1-CG2 3.4Å; F219-I252 VanDerWaalsContact CE1-CG2 3.4Å; F219-I252 HydrophobicContact CE2-CG2 4.39Å; F219-I252 HydrophobicContact CZ-CB 4.47Å; F219-I252 HydrophobicContact CZ-CG2 3.54Å; F219-P253 HydrophobicContact CB-CG 3.85Å; F219-P253 HydrophobicContact CD2-CG 3.68Å; F219-P253 HydrophobicContact CE2-CG 4.4Å; F219-P253 HydrophobicContact CG-CG 3.81Å; F219-F256 HydrophobicContact CZ-CD2 4.32Å; F219-F256 HydrophobicContact CZ-CE2 4.16Å |
| 220 | W | 92.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.6 | -36.1 | 172.7 | -88.9 | 102.3 | 0 | 0 | 0 | 112.9 | I165 N168 L169 A216 N217 L222 V223 E224 M246 W250 | I165-W220 HydrophobicContact CD1-CZ3 4.2Å; I165-W220 HydrophobicContact CG2-CZ3 4.41Å; N168-W220 HydrophobicContact CB-CD2 3.94Å; N168-W220 HydrophobicContact CB-CE3 3.67Å; N168-W220 HydrophobicContact CB-CH2 3.23Å; N168-W220 HydrophobicContact CB-CZ2 3.52Å; N168-W220 HydrophobicContact CB-CZ3 3.31Å; L169-W220 HydrophobicContact CD1-CB 3.88Å; A216-W220 WeakPolarHBondContact O-CB 3.39Å; A216-W220 VanDerWaalsContact O-CD1 3.25Å; A216-W220 PolarHBondContact O-N 3.28Å; N217-W220 PolarHBondContact O-N 2.89Å; W220-L222 VanDerWaalsContact C-N 3.29Å; W220-V223 HydrophobicContact CE3-CB 4.27Å; W220-V223 HydrophobicContact CE3-CG1 4.14Å; W220-V223 HydrophobicContact CZ3-CG1 3.92Å; W220-V223 PolarHBondContact O-N 3.38Å; W220-E224 PolarHBondContact O-N 3.07Å; W220-M246 HydrophobicContact CH2-CE 4.32Å; W220-M246 HydrophobicContact CH2-SD 4.07Å; W220-M246 HydrophobicContact CZ2-SD 3.88Å; W220-W250 AromaticContact CE2-CD1 3.9Å; W220-W250 AromaticContact CE2-CE2 3.67Å; W220-W250 AromaticContact CE2-NE1 3.49Å; W220-W250 AromaticContact CZ2-CD1 3.46Å; W220-W250 VanDerWaalsContact CZ2-CD1 3.46Å; W220-W250 HydrophobicContact CZ2-CD2 4.49Å; W220-W250 AromaticContact CZ2-CE2 3.86Å; W220-W250 HydrophobicContact CZ2-CG 4.27Å; W220-W250 HydrophobicContact CZ2-CZ2 4.49Å; W220-W250 AromaticContact CZ2-NE1 3.16Å; W220-W250 AromaticContact NE1-CD1 3.73Å; W220-W250 AromaticContact NE1-CD2 3.32Å; W220-W250 VanDerWaalsContact NE1-CD2 3.32Å; W220-W250 AromaticContact NE1-CE2 3.06Å; W220-W250 AromaticContact NE1-CE3 3.84Å; W220-W250 AromaticContact NE1-CG 3.75Å; W220-W250 AromaticContact NE1-CH2 3.87Å; W220-W250 AromaticContact NE1-CZ2 3.36Å; W220-W250 AromaticContact NE1-NE1 3.35Å |
| 221 | L | 86.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 169 | -73.7 | 166.8 | 0 | 0 | 0 | 111.4 | L169 F173 N217 F218 E224 G225 L337 | L169-L221 HydrophobicContact CD1-CD2 3.86Å; L169-L221 HydrophobicContact CD1-CG 4.02Å; F173-L221 HydrophobicContact CE2-CD2 4.04Å; F173-L221 HydrophobicContact CE2-CG 4.46Å; F173-L221 HydrophobicContact CZ-CD1 4.15Å; F173-L221 HydrophobicContact CZ-CD2 4Å; F173-L221 HydrophobicContact CZ-CG 4.31Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.41Å; F218-L221 HydrophobicContact CD1-CD1 4.48Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.91Å; L221-E224 PolarHBondContact O-N 2.62Å; L221-G225 PolarHBondContact O-N 3.25Å; L221-L337 WeakPolarHBondContact CD2-O 3.1Å |
| 222 | L | 88 | Confident | 86.9 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 173.9 | 178.3 | 64.8 | 0 | 0 | 0 | 112.4 | F218 F219 W220 E224 G225 L226 V295 N296 | F218-L222 PolarHBondContact O-N 3.46Å; F219-L222 HydrophobicContact CD1-CD2 4.31Å; F219-L222 WeakPolarHBondContact O-CB 2.98Å; F219-L222 PolarHBondContact O-N 3.45Å; W220-L222 VanDerWaalsContact C-N 3.29Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.99Å; L222-G225 PolarHBondContact O-N 3.43Å; L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.09Å; L222-L226 HydrophobicContact CG-CD1 3.9Å; L222-L226 HydrophobicContact CG-CG 4.3Å; L222-L226 WeakPolarHBondContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.98Å; L222-V295 HydrophobicContact CD1-CB 4.21Å; L222-V295 HydrophobicContact CD1-CG1 3.54Å; L222-N296 WeakPolarHBondContact CA-OD1 3.29Å; L222-N296 WeakPolarHBondContact CB-OD1 3.37Å; L222-N296 WeakPolarHBondContact CD1-OD1 3.4Å; L222-N296 PolarHBondContact N-OD1 3.02Å |
| 223 | V | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | I165 F219 W220 L226 Y227 Y245 I248 | I165-V223 HydrophobicContact CD1-CG1 4.32Å; I165-V223 HydrophobicContact CG2-CG1 4.41Å; F219-V223 WeakPolarHBondContact O-CG2 3.15Å; F219-V223 PolarHBondContact O-N 3.46Å; W220-V223 HydrophobicContact CE3-CB 4.27Å; W220-V223 HydrophobicContact CE3-CG1 4.14Å; W220-V223 HydrophobicContact CZ3-CG1 3.92Å; W220-V223 PolarHBondContact O-N 3.38Å; V223-L226 PolarHBondContact O-N 3.5Å; V223-Y227 WeakPolarHBondContact O-CB 3.05Å; V223-Y227 PolarHBondContact O-N 3.33Å; V223-Y245 HydrophobicContact CG1-CD1 4.25Å; V223-Y245 HydrophobicContact CG1-CG 4.19Å; V223-I248 HydrophobicContact CG2-CB 3.89Å; V223-I248 HydrophobicContact CG2-CG2 3.58Å |
| 224 | E | 87 | Confident | 85.3 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.9 | -176.6 | 175.4 | -129.5 | 0 | 0 | 111.7 | H166 L169 W220 L221 L222 Y227 L228 Y374 | H166-E224 IonicContact CE1-OE1 3.09Å; H166-E224 PolarHBondContact CE1-OE1 3.37Å; H166-E224 IonicContact ND1-OE1 3.94Å; H166-E224 PolarHBondContact ND1-OE1 3.37Å; L169-E224 VanDerWaalsContact CD2-CD 3.42Å; L169-E224 WeakPolarHBondContact CD2-OE1 3.26Å; L169-E224 WeakPolarHBondContact CD2-OE2 3.42Å; W220-E224 PolarHBondContact O-N 3.07Å; L221-E224 PolarHBondContact O-N 2.62Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.99Å; E224-Y227 PolarHBondContact O-N 3.21Å; E224-L228 WeakPolarHBondContact O-CB 3.34Å; E224-L228 PolarHBondContact O-N 3.16Å; E224-Y374 VanDerWaalsContact CD-OH 3.28Å; E224-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E224-Y374 WeakPolarHBondContact OE1-CE2 3.42Å; E224-Y374 PolarHBondContact OE1-OH 3.07Å; E224-Y374 VanDerWaalsContact OE1-OH 3.06Å; E224-Y374 PolarHBondContact OE2-OH 2.88Å |
| 225 | G | 85 | Confident | 84.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L221 L222 L228 H229 | L221-G225 PolarHBondContact O-N 3.25Å; L222-G225 PolarHBondContact O-N 3.43Å; G225-L228 PolarHBondContact O-N 2.94Å; G225-H229 WeakPolarHBondContact O-CB 3.31Å; G225-H229 PolarHBondContact O-N 3.45Å |
| 226 | L | 87.1 | Confident | 82.4 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 177 | -72.6 | 173.1 | 0 | 0 | 0 | 111.7 | L222 V223 H229 T230 | L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.09Å; L222-L226 HydrophobicContact CG-CD1 3.9Å; L222-L226 HydrophobicContact CG-CG 4.3Å; L222-L226 WeakPolarHBondContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.98Å; V223-L226 PolarHBondContact O-N 3.5Å; L226-H229 PolarHBondContact O-N 3.49Å; L226-T230 WeakPolarHBondContact O-CB 3.21Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 PolarHBondContact O-OG1 3.44Å |
| 227 | Y | 85.5 | Confident | 80.4 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | 176.5 | 174.2 | -99.1 | 0 | 0 | 0 | 111 | R162 I165 V223 E224 H229 T230 L231 Y245 | R162-Y227 HydrophobicContact CB-CE1 4.18Å; R162-Y227 HydrophobicContact CG-CE1 4.2Å; I165-Y227 HydrophobicContact CG1-CD2 4.49Å; V223-Y227 WeakPolarHBondContact O-CB 3.05Å; V223-Y227 PolarHBondContact O-N 3.33Å; E224-Y227 PolarHBondContact O-N 3.21Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.36Å; Y227-T230 PolarHBondContact O-N 2.75Å; Y227-L231 WeakPolarHBondContact O-CB 3.35Å; Y227-L231 PolarHBondContact O-N 3.28Å; Y227-Y245 HydrophobicContact CD2-CD2 4.48Å; Y227-Y245 AromaticContact CD2-CE2 3.99Å; Y227-Y245 HydrophobicContact CD2-CE2 3.99Å |
| 228 | L | 81.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.1 | -175.4 | 63.5 | 0 | 0 | 0 | 111.8 | E224 G225 L231 L232 I303 | E224-L228 WeakPolarHBondContact O-CB 3.34Å; E224-L228 PolarHBondContact O-N 3.16Å; G225-L228 PolarHBondContact O-N 2.94Å; L228-L231 PolarHBondContact O-N 2.87Å; L228-L232 HydrophobicContact CG-CD1 4.36Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.89Å; L228-L232 VanDerWaalsContact O-N 3.13Å; L228-I303 HydrophobicContact CD2-CD1 4.12Å; L228-I303 HydrophobicContact CD2-CG2 4.07Å |
| 229 | H | 82 | Confident | 77.5 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 22% | 0.218 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.8 | -179.5 | -103.5 | 0 | 0 | 0 | 112.8 | G225 L226 Y227 L231 L232 V233 Q299 I303 | G225-H229 WeakPolarHBondContact O-CB 3.31Å; G225-H229 PolarHBondContact O-N 3.45Å; L226-H229 PolarHBondContact O-N 3.49Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.36Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.44Å; H229-L232 PolarHBondContact O-N 3.43Å; H229-L232 VanDerWaalsContact O-N 3.15Å; H229-V233 WeakPolarHBondContact O-CG2 3.47Å; H229-V233 PolarHBondContact O-N 2.91Å; H229-Q299 VanDerWaalsContact CB-CD 3.43Å; H229-Q299 HydrophobicContact CB-CG 4.48Å; H229-Q299 PolarHBondContact CD2-NE2 2.83Å; H229-I303 HydrophobicContact CB-CG1 4.43Å |
| 230 | T | 82.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | L226 Y227 L232 V233 V234 | L226-T230 WeakPolarHBondContact O-CB 3.21Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 PolarHBondContact O-OG1 3.44Å; Y227-T230 PolarHBondContact O-N 2.75Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 PolarHBondContact O-N 3.25Å; T230-V233 PolarHBondContact O-N 2.91Å; T230-V234 HydrophobicContact CG2-CB 4.35Å; T230-V234 WeakPolarHBondContact O-CA 3.27Å; T230-V234 PolarHBondContact O-N 3.46Å |
| 231 | L | 79.4 | Confident | 75.5 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 175.7 | -173.3 | 72.7 | 0 | 0 | 0 | 113 | Y227 L228 H229 | Y227-L231 WeakPolarHBondContact O-CB 3.35Å; Y227-L231 PolarHBondContact O-N 3.28Å; L228-L231 PolarHBondContact O-N 2.87Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.44Å |
| 232 | L | 75.4 | Confident | 75.2 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -80.1 | -29.3 | -179.2 | -71.4 | 174.1 | 0 | 0 | 0 | 113.7 | L228 H229 T230 I303 I306 | L228-L232 HydrophobicContact CG-CD1 4.36Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.89Å; L228-L232 VanDerWaalsContact O-N 3.13Å; H229-L232 PolarHBondContact O-N 3.43Å; H229-L232 VanDerWaalsContact O-N 3.15Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 PolarHBondContact O-N 3.25Å; L232-I303 HydrophobicContact CD1-CG2 4.32Å; L232-I306 HydrophobicContact CB-CG2 4.22Å; L232-I306 HydrophobicContact CD1-CG2 4.31Å |
| 233 | V | 76.2 | Confident | 75.1 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -99.8 | -41.8 | -174.7 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | H229 T230 I306 | H229-V233 WeakPolarHBondContact O-CG2 3.47Å; H229-V233 PolarHBondContact O-N 2.91Å; T230-V233 PolarHBondContact O-N 2.91Å; V233-I306 HydrophobicContact CG2-CD1 3.7Å |
| 234 | V | 73.3 | Confident | 75 | Confident | 82 Ų | 82 | 84.9 Ų | 84.9 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | trans | -114 | 106.7 | -173.4 | -176 | 0 | 0 | 0 | 0 | 109 | T230 F236 | T230-V234 HydrophobicContact CG2-CB 4.35Å; T230-V234 WeakPolarHBondContact O-CA 3.27Å; T230-V234 PolarHBondContact O-N 3.46Å; V234-F236 PolarHBondContact O-N 3.44Å | ||
| 235 | I | 61.3 | Low | 75.2 | Confident | 147 Ų | 147 | 85.8 Ų | 85.8 | 75% | 0.754 | 44% | 0.439 | S | S | * | . | trans | -77.9 | 96.5 | 164.5 | -54.9 | 167.4 | 0 | 0 | 0 | 104.6 | ||||
| 236 | F | 52.9 | Low | 75.4 | Confident | 188 Ų | 188 | 88.5 Ų | 88.5 | 83% | 0.825 | 45% | 0.452 | S | S | * | . | trans | 166.9 | 144 | 154.3 | -90.4 | -65.5 | 0 | 0 | 0 | 115.5 | V234 | V234-F236 PolarHBondContact O-N 3.44Š| ||
| 237 | S | 51.8 | Low | 75.7 | Confident | 91 Ų | 91 | 92.4 Ų | 92.4 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | trans | 55.9 | 99 | 164.4 | -152.3 | 0 | 0 | 0 | 0 | 120.6 | H241 | S237-H241 PolarHBondContact O-ND1 3.25Å; S237-H241 VanDerWaalsContact O-ND1 3.17Å | ||
| 238 | E | 57.2 | Low | 76 | Confident | 126 Ų | 126 | 92.2 Ų | 92.2 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | trans | -80.6 | -28.5 | -167.5 | -66.2 | -173.3 | 143.4 | 0 | 0 | 116.8 | ||||
| 239 | N | 60.3 | Low | 76.5 | Confident | 130 Ų | 130 | 89.7 Ų | 89.7 | 70% | 0.695 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.5 | -158.6 | -78.9 | -13.1 | 0 | 0 | 0 | 116.3 | ||
| 240 | Q | 66.1 | Low | 77.1 | Confident | 164 Ų | 164 | 89.7 Ų | 89.7 | 77% | 0.766 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.4 | -175.5 | -164.1 | 168.5 | -21.5 | 0 | 0 | 113.1 | ||
| 241 | H | 75.6 | Confident | 77.6 | Confident | 88 Ų | 88 | 88.1 Ų | 88.1 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77.8 | -22.9 | -177.9 | -64 | 92.8 | 0 | 0 | 0 | 113.4 | S237 I243 I244 Y245 | S237-H241 PolarHBondContact O-ND1 3.25Å; S237-H241 VanDerWaalsContact O-ND1 3.17Å; H241-I243 PolarHBondContact O-N 2.91Å; H241-I244 WeakPolarHBondContact O-CB 3.31Å; H241-I244 PolarHBondContact O-N 3.49Å; H241-Y245 HydrophobicContact CB-CD2 4.46Å; H241-Y245 HydrophobicContact CB-CE2 3.86Å; H241-Y245 WeakPolarHBondContact O-CD2 3.26Å; H241-Y245 PolarHBondContact O-N 3.02Å; H241-Y245 VanDerWaalsContact O-N 3.08Å |
| 242 | F | 81.4 | Confident | 78.2 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 26% | 0.259 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | -177 | -176.2 | -100.4 | 0 | 0 | 0 | 113.4 | I165 I244 Y245 M246 | I165-F242 HydrophobicContact CD1-CD2 4.06Å; I165-F242 HydrophobicContact CD1-CE2 3.78Å; I165-F242 HydrophobicContact CG1-CE2 4.41Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 2.79Å; F242-Y245 PolarHBondContact O-N 3.34Å; F242-M246 HydrophobicContact CE1-CE 3.8Å; F242-M246 HydrophobicContact CZ-CE 3.66Å; F242-M246 PolarHBondContact O-N 3.47Å |
| 243 | I | 84.8 | Confident | 79.1 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 65% | 0.651 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 177.7 | -62.1 | 175.5 | 0 | 0 | 0 | 110.6 | H241 M246 F247 | H241-I243 PolarHBondContact O-N 2.91Å; I243-M246 WeakPolarHBondContact O-CB 3.26Å; I243-M246 PolarHBondContact O-N 3.32Å; I243-F247 PolarHBondContact O-N 3.5Å |
| 244 | I | 88.9 | Confident | 79.9 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 46% | 0.456 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 177 | -60.7 | 172.6 | 0 | 0 | 0 | 110 | H241 F242 M246 F247 I248 | H241-I244 WeakPolarHBondContact O-CB 3.31Å; H241-I244 PolarHBondContact O-N 3.49Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 2.79Å; I244-M246 VanDerWaalsContact C-N 3.3Å; I244-M246 PolarHBondContact O-N 3.26Å; I244-F247 PolarHBondContact O-N 2.97Å; I244-F247 VanDerWaalsContact O-N 3.17Å; I244-I248 HydrophobicContact CG2-CD1 3.89Å; I244-I248 HydrophobicContact CG2-CG1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.39Å; I244-I248 PolarHBondContact O-N 2.92Å |
| 245 | Y | 89.9 | Confident | 80.9 | Confident | 25 Ų | 25 | 81.6 Ų | 81.6 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 175.6 | -64.9 | -43.6 | 0 | 0 | 0 | 112.7 | V223 Y227 H241 F242 I248 G249 | V223-Y245 HydrophobicContact CG1-CD1 4.25Å; V223-Y245 HydrophobicContact CG1-CG 4.19Å; Y227-Y245 HydrophobicContact CD2-CD2 4.48Å; Y227-Y245 AromaticContact CD2-CE2 3.99Å; Y227-Y245 HydrophobicContact CD2-CE2 3.99Å; H241-Y245 HydrophobicContact CB-CD2 4.46Å; H241-Y245 HydrophobicContact CB-CE2 3.86Å; H241-Y245 WeakPolarHBondContact O-CD2 3.26Å; H241-Y245 PolarHBondContact O-N 3.02Å; H241-Y245 VanDerWaalsContact O-N 3.08Å; F242-Y245 PolarHBondContact O-N 3.34Å; Y245-I248 PolarHBondContact O-N 3.48Å; Y245-G249 PolarHBondContact O-N 3Å |
| 246 | M | 90.6 | Very high | 82.4 | Confident | 57 Ų | 57 | 78.3 Ų | 78.3 | 28% | 0.281 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175 | -165.7 | 64.5 | 63.3 | 0 | 0 | 112.1 | W220 F242 I243 I244 G249 W250 | W220-M246 HydrophobicContact CH2-CE 4.32Å; W220-M246 HydrophobicContact CH2-SD 4.07Å; W220-M246 HydrophobicContact CZ2-SD 3.88Å; F242-M246 HydrophobicContact CE1-CE 3.8Å; F242-M246 HydrophobicContact CZ-CE 3.66Å; F242-M246 PolarHBondContact O-N 3.47Å; I243-M246 WeakPolarHBondContact O-CB 3.26Å; I243-M246 PolarHBondContact O-N 3.32Å; I244-M246 VanDerWaalsContact C-N 3.3Å; I244-M246 PolarHBondContact O-N 3.26Å; M246-G249 PolarHBondContact O-N 2.92Å; M246-W250 PolarHBondContact O-N 3.32Å; M246-W250 VanDerWaalsContact O-N 3.07Å |
| 247 | F | 91.9 | Very high | 84.2 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -66.1 | -40.3 | 176.6 | -176.7 | -96.8 | 0 | 0 | 0 | 112.2 | I243 I244 G251 I252 | I243-F247 PolarHBondContact O-N 3.5Å; I244-F247 PolarHBondContact O-N 2.97Å; I244-F247 VanDerWaalsContact O-N 3.17Å; F247-G251 WeakPolarHBondContact O-CA 3.44Å; F247-G251 PolarHBondContact O-N 3.38Å; F247-I252 HydrophobicContact CE1-CG1 4.29Å; F247-I252 PolarHBondContact O-N 3.33Å; F247-I252 VanDerWaalsContact O-N 3.13Å |
| 248 | I | 91.9 | Very high | 86.1 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -65 | -44.5 | 176.2 | -65.8 | 167.6 | 0 | 0 | 0 | 110.7 | F219 V223 I244 Y245 I252 | F219-I248 HydrophobicContact CD1-CG2 4.39Å; V223-I248 HydrophobicContact CG2-CB 3.89Å; V223-I248 HydrophobicContact CG2-CG2 3.58Å; I244-I248 HydrophobicContact CG2-CD1 3.89Å; I244-I248 HydrophobicContact CG2-CG1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.39Å; I244-I248 PolarHBondContact O-N 2.92Å; Y245-I248 PolarHBondContact O-N 3.48Å; I248-I252 HydrophobicContact CB-CD1 4.26Å; I248-I252 HydrophobicContact CG1-CD1 4.14Å; I248-I252 HydrophobicContact CG2-CD1 4.18Å |
| 249 | G | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -70.8 | -42.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y245 M246 P253 | Y245-G249 PolarHBondContact O-N 3Å; M246-G249 PolarHBondContact O-N 2.92Å; G249-P253 WeakPolarHBondContact O-CG 3.29Å |
| 250 | W | 94.9 | Very high | 89.1 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -108.2 | -39.6 | -177.6 | -64.3 | 116 | 0 | 0 | 0 | 113.8 | N168 I171 L175 A216 W220 M246 P253 T254 | N168-W250 PolarHBondContact OD1-NE1 2.88Å; I171-W250 HydrophobicContact CG2-CH2 4.3Å; I171-W250 HydrophobicContact CG2-CZ2 4.3Å; L175-W250 HydrophobicContact CD1-CH2 3.72Å; L175-W250 HydrophobicContact CD1-CZ3 4.1Å; A216-W250 HydrophobicContact CB-CE3 4.03Å; A216-W250 HydrophobicContact CB-CZ3 3.86Å; W220-W250 AromaticContact CE2-CD1 3.9Å; W220-W250 AromaticContact CE2-CE2 3.67Å; W220-W250 AromaticContact CE2-NE1 3.49Å; W220-W250 AromaticContact CZ2-CD1 3.46Å; W220-W250 VanDerWaalsContact CZ2-CD1 3.46Å; W220-W250 HydrophobicContact CZ2-CD2 4.49Å; W220-W250 AromaticContact CZ2-CE2 3.86Å; W220-W250 HydrophobicContact CZ2-CG 4.27Å; W220-W250 HydrophobicContact CZ2-CZ2 4.49Å; W220-W250 AromaticContact CZ2-NE1 3.16Å; W220-W250 AromaticContact NE1-CD1 3.73Å; W220-W250 AromaticContact NE1-CD2 3.32Å; W220-W250 VanDerWaalsContact NE1-CD2 3.32Å; W220-W250 AromaticContact NE1-CE2 3.06Å; W220-W250 AromaticContact NE1-CE3 3.84Å; W220-W250 AromaticContact NE1-CG 3.75Å; W220-W250 AromaticContact NE1-CH2 3.87Å; W220-W250 AromaticContact NE1-CZ2 3.36Å; W220-W250 AromaticContact NE1-NE1 3.35Å; M246-W250 PolarHBondContact O-N 3.32Å; M246-W250 VanDerWaalsContact O-N 3.07Å; W250-P253 WeakPolarHBondContact O-CD 3.43Å; W250-T254 PolarHBondContact O-N 2.88Å; W250-T254 PolarHBondContact O-OG1 3.41Å |
| 251 | G | 94.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -70.5 | -49.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F247 T254 V255 | F247-G251 WeakPolarHBondContact O-CA 3.44Å; F247-G251 PolarHBondContact O-N 3.38Å; G251-T254 WeakPolarHBondContact O-CB 3.24Å; G251-T254 PolarHBondContact O-N 2.81Å; G251-T254 VanDerWaalsContact O-N 3.1Å; G251-V255 PolarHBondContact O-N 3.45Å; G251-V255 VanDerWaalsContact O-N 3.1Å |
| 252 | I | 92.4 | Very high | 90.8 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | -179.6 | -62.8 | 179.1 | 0 | 0 | 0 | 112.1 | F219 F247 I248 T254 V255 F256 | F219-I252 HydrophobicContact CD1-CB 4.28Å; F219-I252 HydrophobicContact CD1-CG2 4.16Å; F219-I252 HydrophobicContact CE1-CB 4Å; F219-I252 HydrophobicContact CE1-CD1 4.4Å; F219-I252 HydrophobicContact CE1-CG2 3.4Å; F219-I252 VanDerWaalsContact CE1-CG2 3.4Å; F219-I252 HydrophobicContact CE2-CG2 4.39Å; F219-I252 HydrophobicContact CZ-CB 4.47Å; F219-I252 HydrophobicContact CZ-CG2 3.54Å; F247-I252 HydrophobicContact CE1-CG1 4.29Å; F247-I252 PolarHBondContact O-N 3.33Å; F247-I252 VanDerWaalsContact O-N 3.13Å; I248-I252 HydrophobicContact CB-CD1 4.26Å; I248-I252 HydrophobicContact CG1-CD1 4.14Å; I248-I252 HydrophobicContact CG2-CD1 4.18Å; I252-T254 VanDerWaalsContact C-N 3.31Å; I252-T254 PolarHBondContact O-N 2.87Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.17Å; I252-F256 HydrophobicContact CG2-CD2 3.59Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 WeakPolarHBondContact O-CD2 3.28Å; I252-F256 PolarHBondContact O-N 2.94Å; I252-F256 VanDerWaalsContact O-N 3.15Å |
| 253 | P | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.5 | -40.9 | 172.1 | -27 | 32.6 | 0 | 0 | 0 | 114.2 | Y212 M215 A216 F219 G249 W250 V255 F256 V257 | Y212-P253 HydrophobicContact CD2-CB 4.14Å; Y212-P253 HydrophobicContact CE2-CB 3.95Å; M215-P253 HydrophobicContact CB-CB 4.29Å; M215-P253 HydrophobicContact CG-CB 3.97Å; M215-P253 HydrophobicContact CG-CG 4.35Å; M215-P253 HydrophobicContact SD-CB 4.18Å; A216-P253 HydrophobicContact CB-CB 4.28Å; A216-P253 HydrophobicContact CB-CG 4.22Å; F219-P253 HydrophobicContact CB-CG 3.85Å; F219-P253 HydrophobicContact CD2-CG 3.68Å; F219-P253 HydrophobicContact CE2-CG 4.4Å; F219-P253 HydrophobicContact CG-CG 3.81Å; G249-P253 WeakPolarHBondContact O-CG 3.29Å; W250-P253 WeakPolarHBondContact O-CD 3.43Å; P253-V255 VanDerWaalsContact C-N 3.31Å; P253-V255 PolarHBondContact O-N 2.92Å; P253-F256 PolarHBondContact O-N 3.34Å; P253-V257 WeakPolarHBondContact O-CB 3.39Å; P253-V257 VanDerWaalsContact O-CG2 3.29Å; P253-V257 WeakPolarHBondContact O-CG2 3.27Å; P253-V257 PolarHBondContact O-N 3.44Å |
| 254 | T | 93.1 | Very high | 90.9 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 43% | 0.429 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | Y212 W250 G251 I252 S258 | Y212-T254 WeakPolarHBondContact CE2-OG1 3.25Å; W250-T254 PolarHBondContact O-N 2.88Å; W250-T254 PolarHBondContact O-OG1 3.41Å; G251-T254 WeakPolarHBondContact O-CB 3.24Å; G251-T254 PolarHBondContact O-N 2.81Å; G251-T254 VanDerWaalsContact O-N 3.1Å; I252-T254 VanDerWaalsContact C-N 3.31Å; I252-T254 PolarHBondContact O-N 2.87Å; T254-S258 VanDerWaalsContact O-CB 3.26Å; T254-S258 WeakPolarHBondContact O-CB 3.26Å; T254-S258 PolarHBondContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.42Å |
| 255 | V | 93.9 | Very high | 90.6 | Very high | 79 Ų | 79 | 46 Ų | 46 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -53.6 | 179 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | G251 I252 P253 V257 S258 V259 | G251-V255 PolarHBondContact O-N 3.45Å; G251-V255 VanDerWaalsContact O-N 3.1Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.17Å; P253-V255 VanDerWaalsContact C-N 3.31Å; P253-V255 PolarHBondContact O-N 2.92Å; V255-V257 PolarHBondContact O-N 3.46Å; V255-S258 PolarHBondContact O-N 2.89Å; V255-S258 PolarHBondContact O-OG 2.96Å; V255-V259 WeakPolarHBondContact O-CG2 3.32Å; V255-V259 PolarHBondContact O-N 2.88Å |
| 256 | F | 92.7 | Very high | 90.2 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 34% | 0.342 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | -178.4 | -75.3 | -64 | 0 | 0 | 0 | 113.1 | M215 F219 I252 P253 S258 V259 W260 P288 | M215-F256 HydrophobicContact CE-CB 4.07Å; M215-F256 HydrophobicContact SD-CB 3.65Å; M215-F256 HydrophobicContact SD-CD2 4.36Å; M215-F256 HydrophobicContact SD-CG 4.4Å; F219-F256 HydrophobicContact CZ-CD2 4.32Å; F219-F256 HydrophobicContact CZ-CE2 4.16Å; I252-F256 HydrophobicContact CG2-CD2 3.59Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 WeakPolarHBondContact O-CD2 3.28Å; I252-F256 PolarHBondContact O-N 2.94Å; I252-F256 VanDerWaalsContact O-N 3.15Å; P253-F256 PolarHBondContact O-N 3.34Å; F256-S258 VanDerWaalsContact C-N 3.35Å; F256-V259 PolarHBondContact O-N 3.37Å; F256-W260 PolarHBondContact O-N 2.66Å; F256-P288 HydrophobicContact CB-CG 4.45Å; F256-P288 HydrophobicContact CD1-CB 4.17Å; F256-P288 HydrophobicContact CD1-CG 3.56Å; F256-P288 HydrophobicContact CD2-CB 4.1Å; F256-P288 HydrophobicContact CD2-CG 4.38Å; F256-P288 HydrophobicContact CE1-CB 4.29Å; F256-P288 HydrophobicContact CE1-CG 3.79Å; F256-P288 HydrophobicContact CE2-CB 4.2Å; F256-P288 HydrophobicContact CG-CB 4.08Å; F256-P288 HydrophobicContact CG-CG 3.9Å; F256-P288 HydrophobicContact CZ-CB 4.31Å; F256-P288 HydrophobicContact CZ-CG 4.28Å |
| 257 | V | 91.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V208 Y212 M215 P253 V255 V259 W260 V261 I285 | V208-V257 HydrophobicContact CG1-CG1 3.95Å; Y212-V257 HydrophobicContact CD2-CG2 4.39Å; M215-V257 HydrophobicContact CE-CG2 4.48Å; M215-V257 HydrophobicContact SD-CG2 4.18Å; P253-V257 WeakPolarHBondContact O-CB 3.39Å; P253-V257 VanDerWaalsContact O-CG2 3.29Å; P253-V257 WeakPolarHBondContact O-CG2 3.27Å; P253-V257 PolarHBondContact O-N 3.44Å; V255-V257 PolarHBondContact O-N 3.46Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 PolarHBondContact O-N 2.95Å; V257-W260 WeakPolarHBondContact O-CB 3.37Å; V257-W260 PolarHBondContact O-N 2.73Å; V257-V261 HydrophobicContact CG1-CG2 4.29Å; V257-V261 WeakPolarHBondContact O-CG2 3.26Å; V257-V261 PolarHBondContact O-N 3.17Å; V257-I285 HydrophobicContact CG2-CD1 4.25Å |
| 258 | S | 91 | Very high | 87.9 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.2 | 72.8 | 0 | 0 | 0 | 0 | 112.1 | T254 V255 F256 W260 V261 M262 | T254-S258 VanDerWaalsContact O-CB 3.26Å; T254-S258 WeakPolarHBondContact O-CB 3.26Å; T254-S258 PolarHBondContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.42Å; V255-S258 PolarHBondContact O-N 2.89Å; V255-S258 PolarHBondContact O-OG 2.96Å; F256-S258 VanDerWaalsContact C-N 3.35Å; S258-W260 VanDerWaalsContact C-N 3.33Å; S258-W260 PolarHBondContact O-N 3.05Å; S258-V261 PolarHBondContact O-N 3.3Å; S258-M262 VanDerWaalsContact O-CG 3.3Å; S258-M262 WeakPolarHBondContact O-CG 3.41Å; S258-M262 PolarHBondContact O-N 3.08Å |
| 259 | V | 91.6 | Very high | 86.7 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | V255 F256 V257 M262 T263 V284 | V255-V259 WeakPolarHBondContact O-CG2 3.32Å; V255-V259 PolarHBondContact O-N 2.88Å; F256-V259 PolarHBondContact O-N 3.37Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 PolarHBondContact O-N 2.95Å; V259-M262 PolarHBondContact O-N 3.02Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.26Å; V259-T263 PolarHBondContact O-OG1 3.2Å; V259-V284 HydrophobicContact CG1-CG1 4.24Å |
| 260 | W | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.2 | 177.4 | 79.3 | 0 | 0 | 0 | 112.1 | V208 H211 F256 V257 S258 M262 T263 R264 W273 P281 V284 I285 | V208-W260 HydrophobicContact CG2-CZ3 4.12Å; H211-W260 AromaticContact CD2-CH2 3.56Å; H211-W260 AromaticContact CD2-CZ2 3.98Å; H211-W260 AromaticContact NE2-CH2 3.96Å; F256-W260 PolarHBondContact O-N 2.66Å; V257-W260 WeakPolarHBondContact O-CB 3.37Å; V257-W260 PolarHBondContact O-N 2.73Å; S258-W260 VanDerWaalsContact C-N 3.33Å; S258-W260 PolarHBondContact O-N 3.05Å; W260-M262 VanDerWaalsContact C-N 3.34Å; W260-M262 PolarHBondContact O-N 3.48Å; W260-T263 WeakPolarHBondContact O-CB 3.26Å; W260-T263 PolarHBondContact O-N 3.41Å; W260-R264 HydrophobicContact CD2-CG 4.04Å; W260-R264 HydrophobicContact CE3-CG 4.49Å; W260-R264 HydrophobicContact CG-CG 4.49Å; W260-R264 HydrophobicContact CH2-CG 4.43Å; W260-R264 HydrophobicContact CZ2-CG 3.99Å; W260-R264 VanDerWaalsContact CZ2-NH1 3.29Å; W260-R264 VanDerWaalsContact O-CG 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.41Å; W260-R264 PolarHBondContact O-N 3.41Å; W260-W273 HydrophobicContact CH2-CB 4.46Å; W260-W273 HydrophobicContact CH2-CE3 4.19Å; W260-W273 HydrophobicContact CZ3-CE3 4.15Å; W260-P281 PolarHBondContact NE1-O 2.68Å; W260-P281 VanDerWaalsContact NE1-O 3.08Å; W260-V284 HydrophobicContact CB-CG1 4.05Å; W260-I285 HydrophobicContact CB-CD1 4.44Å; W260-I285 HydrophobicContact CG-CB 4.08Å; W260-I285 HydrophobicContact CG-CD1 4.28Å |
| 261 | V | 88.9 | Confident | 83.9 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V208 V257 S258 R264 I265 W273 | V208-V261 HydrophobicContact CG1-CG2 3.92Å; V208-V261 HydrophobicContact CG2-CG2 3.75Å; V257-V261 HydrophobicContact CG1-CG2 4.29Å; V257-V261 WeakPolarHBondContact O-CG2 3.26Å; V257-V261 PolarHBondContact O-N 3.17Å; S258-V261 PolarHBondContact O-N 3.3Å; V261-R264 PolarHBondContact O-N 2.93Å; V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.45Å; V261-I265 WeakPolarHBondContact O-CG1 3.37Å; V261-I265 PolarHBondContact O-N 2.88Å; V261-W273 HydrophobicContact CG1-CH2 4.07Å; V261-W273 HydrophobicContact CG1-CZ3 4.24Å; V261-W273 HydrophobicContact CG2-CZ3 4.35Å |
| 262 | M | 88 | Confident | 82.6 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 51% | 0.507 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 176.7 | -68.9 | -61.2 | 166.8 | 0 | 0 | 111 | S258 V259 W260 R264 I265 Y266 | S258-M262 VanDerWaalsContact O-CG 3.3Å; S258-M262 WeakPolarHBondContact O-CG 3.41Å; S258-M262 PolarHBondContact O-N 3.08Å; V259-M262 PolarHBondContact O-N 3.02Å; W260-M262 VanDerWaalsContact C-N 3.34Å; W260-M262 PolarHBondContact O-N 3.48Å; M262-R264 PolarHBondContact O-N 3.17Å; M262-I265 PolarHBondContact O-N 3.36Å; M262-I265 VanDerWaalsContact O-N 3.14Å; M262-Y266 HydrophobicContact CB-CD2 4.48Å; M262-Y266 HydrophobicContact CB-CE2 4.42Å; M262-Y266 WeakPolarHBondContact O-CD2 3.14Å; M262-Y266 PolarHBondContact O-N 2.78Å |
| 263 | T | 85 | Confident | 81.5 | Confident | 32 Ų | 32 | 57 Ų | 57 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.4 | -41.1 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | V259 W260 Y266 L267 P281 | V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.26Å; V259-T263 PolarHBondContact O-OG1 3.2Å; W260-T263 WeakPolarHBondContact O-CB 3.26Å; W260-T263 PolarHBondContact O-N 3.41Å; T263-Y266 PolarHBondContact O-N 3.3Å; T263-L267 HydrophobicContact CG2-CD1 3.59Å; T263-L267 WeakPolarHBondContact O-CB 3.05Å; T263-L267 PolarHBondContact O-N 3.48Å; T263-P281 HydrophobicContact CG2-CG 4.48Å |
| 264 | R | 82.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66 | -44.8 | 176.9 | -70.3 | -63.3 | -67 | -108.7 | 19.7 | 112.8 | W260 V261 M262 Y266 E268 W273 R275 N276 P281 | W260-R264 HydrophobicContact CD2-CG 4.04Å; W260-R264 HydrophobicContact CE3-CG 4.49Å; W260-R264 HydrophobicContact CG-CG 4.49Å; W260-R264 HydrophobicContact CH2-CG 4.43Å; W260-R264 HydrophobicContact CZ2-CG 3.99Å; W260-R264 VanDerWaalsContact CZ2-NH1 3.29Å; W260-R264 VanDerWaalsContact O-CG 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.41Å; W260-R264 PolarHBondContact O-N 3.41Å; V261-R264 PolarHBondContact O-N 2.93Å; M262-R264 PolarHBondContact O-N 3.17Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.37Å; R264-E268 CarbonylContact O-C 3.39Å; R264-E268 PolarHBondContact O-N 2.84Å; R264-E268 VanDerWaalsContact O-O 3.09Å; R264-W273 HydrophobicContact CB-CD2 4.4Å; R264-W273 HydrophobicContact CB-CZ2 4.32Å; R264-W273 PolarHBondContact NH1-O 2.94Å; R264-R275 PolarHBondContact NH2-O 3.28Å; R264-N276 PolarHBondContact NH1-OD1 3.13Å; R264-P281 HydrophobicContact CG-CB 4.34Å |
| 265 | I | 83.1 | Confident | 78 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.415 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 178.6 | -67.4 | 166 | 0 | 0 | 0 | 111 | V261 M262 W273 | V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.45Å; V261-I265 WeakPolarHBondContact O-CG1 3.37Å; V261-I265 PolarHBondContact O-N 2.88Å; M262-I265 PolarHBondContact O-N 3.36Å; M262-I265 VanDerWaalsContact O-N 3.14Å; I265-W273 HydrophobicContact CD1-CH2 4.4Å; I265-W273 HydrophobicContact CG1-CH2 3.96Å; I265-W273 HydrophobicContact CG1-CZ2 3.87Å |
| 266 | Y | 81.4 | Confident | 76.3 | Confident | 190 Ų | 190 | 60.7 Ų | 60.7 | 75% | 0.745 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.5 | -36.2 | -178.5 | -75.1 | -68 | 0 | 0 | 0 | 114.4 | M262 T263 R264 | M262-Y266 HydrophobicContact CB-CD2 4.48Å; M262-Y266 HydrophobicContact CB-CE2 4.42Å; M262-Y266 WeakPolarHBondContact O-CD2 3.14Å; M262-Y266 PolarHBondContact O-N 2.78Å; T263-Y266 PolarHBondContact O-N 3.3Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.37Å |
| 267 | L | 70.3 | Confident | 74.7 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -88.2 | -47.6 | -178 | -92.3 | 144 | 0 | 0 | 0 | 112.6 | T263 I280 P281 | T263-L267 HydrophobicContact CG2-CD1 3.59Å; T263-L267 WeakPolarHBondContact O-CB 3.05Å; T263-L267 PolarHBondContact O-N 3.48Å; L267-I280 HydrophobicContact CD1-CG2 4.48Å; L267-P281 HydrophobicContact CD1-CG 4.23Å |
| 268 | E | 64.9 | Low | 73.5 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | trans | -154.4 | 97 | -171.4 | -69.6 | -176 | 145.4 | 0 | 0 | 112.8 | R264 T270 N278 | R264-E268 CarbonylContact O-C 3.39Å; R264-E268 PolarHBondContact O-N 2.84Å; R264-E268 VanDerWaalsContact O-O 3.09Å; E268-T270 PolarHBondContact O-N 2.98Å; E268-N278 PolarHBondContact OE1-ND2 2.91Å; E268-N278 PolarHBondContact OE2-ND2 3.19Å | ||
| 269 | D | 65.8 | Low | 72.6 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -94.2 | 31.1 | 174.1 | -162.2 | 39.4 | 0 | 0 | 0 | 114.5 | K204 W273 | K204-D269 IonicContact NZ-OD1 3Å; K204-D269 PolarHBondContact NZ-OD1 3.26Å; K204-D269 IonicContact NZ-OD2 3.84Å; K204-D269 PolarHBondContact NZ-OD2 3.48Å; D269-W273 PolarHBondContact OD1-NE1 3.13Å | ||
| 270 | T | 62.7 | Low | 71.7 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 69% | 0.693 | 35% | 0.352 | S | S | * | . | trans | -90.7 | 123.3 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | E268 | E268-T270 PolarHBondContact O-N 2.98Š| ||
| 271 | G | 65.8 | Low | 71 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 69.6 | -145.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L200 K204 | L200-G271 WeakPolarHBondContact CD1-O 3.45Å; K204-G271 WeakPolarHBondContact CE-O 3.09Å |
| 272 | C | 66.4 | Low | 70.4 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | trans | -98.6 | 133.8 | 173.2 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | C203 L207 E274 | C203-C272 VanDerWaalsContact C-SG 3.58Å; C203-C272 HydrophobicContact CB-CB 4.01Å; C203-C272 WeakPolarHBondContact CB-SG 3.44Å; C203-C272 WeakPolarHBondContact SG-CB 3.38Å; C203-C272 CovalentContact SG-SG 2.03Å; C203-C272 PolarHBondContact SG-SG 2.03Å; L207-C272 WeakPolarHBondContact CD1-SG 3.22Å; C272-E274 PolarHBondContact O-N 2.89Å | ||
| 273 | W | 69 | Low | 70 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 6% | 0.057 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 31.9 | -170.4 | -63.9 | -26.3 | 0 | 0 | 0 | 115.3 | K204 L207 V208 W260 V261 R264 I265 D269 | K204-W273 HydrophobicContact CB-CD2 4.48Å; K204-W273 HydrophobicContact CB-CE3 4.32Å; K204-W273 HydrophobicContact CB-CZ3 4.48Å; K204-W273 HydrophobicContact CD-CD2 4.46Å; K204-W273 HydrophobicContact CD-CZ2 4.13Å; K204-W273 HydrophobicContact CG-CD2 4.15Å; K204-W273 HydrophobicContact CG-CE3 4.48Å; K204-W273 HydrophobicContact CG-CG 4.43Å; L207-W273 HydrophobicContact CD1-CB 4.11Å; V208-W273 HydrophobicContact CG2-CE3 4.01Å; V208-W273 HydrophobicContact CG2-CZ3 3.6Å; W260-W273 HydrophobicContact CH2-CB 4.46Å; W260-W273 HydrophobicContact CH2-CE3 4.19Å; W260-W273 HydrophobicContact CZ3-CE3 4.15Å; V261-W273 HydrophobicContact CG1-CH2 4.07Å; V261-W273 HydrophobicContact CG1-CZ3 4.24Å; V261-W273 HydrophobicContact CG2-CZ3 4.35Å; R264-W273 HydrophobicContact CB-CD2 4.4Å; R264-W273 HydrophobicContact CB-CZ2 4.32Å; R264-W273 PolarHBondContact NH1-O 2.94Å; I265-W273 HydrophobicContact CD1-CH2 4.4Å; I265-W273 HydrophobicContact CG1-CH2 3.96Å; I265-W273 HydrophobicContact CG1-CZ2 3.87Å; D269-W273 PolarHBondContact OD1-NE1 3.13Å |
| 274 | E | 59.3 | Low | 69.9 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -27.3 | 177.8 | -170.3 | 162.9 | -150.6 | 0 | 0 | 111.7 | K183 L207 C272 | K183-E274 IonicContact NZ-OE1 3.74Å; L207-E274 HydrophobicContact CD1-CB 4.33Å; C272-E274 PolarHBondContact O-N 2.89Å |
| 275 | R | 55.1 | Low | 69.8 | Low | 116 Ų | 116 | 74.7 Ų | 74.7 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | trans | -92.2 | 132.3 | 176.4 | -155.6 | 173.6 | -161.9 | 153.5 | 14.2 | 110.8 | D17 R264 D277 | D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NH2 3.82Å; D17-R275 PolarHBondContact OD1-NH2 2.94Å; R264-R275 PolarHBondContact NH2-O 3.28Å; R275-D277 VanDerWaalsContact CD-OD1 3.26Å; R275-D277 WeakPolarHBondContact CD-OD1 3.09Å; R275-D277 VanDerWaalsContact CD-OD2 3.27Å; R275-D277 WeakPolarHBondContact CD-OD2 3.43Å; R275-D277 VanDerWaalsContact CG-OD1 3.26Å; R275-D277 WeakPolarHBondContact CG-OD1 3.31Å; R275-D277 IonicContact NE-OD1 3.09Å; R275-D277 PolarHBondContact NE-OD1 3.36Å; R275-D277 IonicContact NE-OD2 3.73Å | ||
| 276 | N | 59.3 | Low | 69.6 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | trans | -120.2 | 73.6 | 176.9 | -69.3 | -14.4 | 0 | 0 | 0 | 108.7 | R264 N278 N282 | R264-N276 PolarHBondContact NH1-OD1 3.13Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.47Å; N276-N282 HydrophobicContact CB-CB 4.16Å; N276-N282 PolarHBondContact ND2-OD1 2.84Å | ||
| 277 | D | 58.8 | Low | 69.7 | Low | 108 Ų | 108 | 65.6 Ų | 65.6 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | trans | -70.9 | -26.6 | -179.7 | -62.7 | -41.8 | 0 | 0 | 0 | 111.3 | R275 | R275-D277 VanDerWaalsContact CD-OD1 3.26Å; R275-D277 WeakPolarHBondContact CD-OD1 3.09Å; R275-D277 VanDerWaalsContact CD-OD2 3.27Å; R275-D277 WeakPolarHBondContact CD-OD2 3.43Å; R275-D277 VanDerWaalsContact CG-OD1 3.26Å; R275-D277 WeakPolarHBondContact CG-OD1 3.31Å; R275-D277 IonicContact NE-OD1 3.09Å; R275-D277 PolarHBondContact NE-OD1 3.36Å; R275-D277 IonicContact NE-OD2 3.73Å | ||
| 278 | N | 65.3 | Low | 70.4 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -91.8 | 139.1 | 172.9 | -75.8 | -51.3 | 0 | 0 | 0 | 113.3 | E268 N276 I280 P281 | E268-N278 PolarHBondContact OE1-ND2 2.91Å; E268-N278 PolarHBondContact OE2-ND2 3.19Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.47Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 2.84Å; N278-P281 HydrophobicContact CB-CG 4.36Å; N278-P281 WeakPolarHBondContact O-CD 3.22Å |
| 279 | P | 72 | Confident | 71.3 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 63% | 0.63 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.4 | -26.4 | 178.4 | 27.5 | -34 | 0 | 0 | 0 | 113.1 | N282 W283 | P279-N282 PolarHBondContact O-N 3.32Å; P279-W283 WeakPolarHBondContact O-CB 3.43Å; P279-W283 PolarHBondContact O-N 2.97Å |
| 280 | I | 73.9 | Confident | 72.1 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 55% | 0.554 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.8 | -55.7 | -172.6 | -55.7 | 170.8 | 0 | 0 | 0 | 111.7 | L267 N278 N282 W283 V284 | L267-I280 HydrophobicContact CD1-CG2 4.48Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 2.84Å; I280-N282 PolarHBondContact O-N 3.37Å; I280-W283 PolarHBondContact O-N 3.31Å; I280-V284 WeakPolarHBondContact O-CG2 3.5Å; I280-V284 PolarHBondContact O-N 3.48Å; I280-V284 VanDerWaalsContact O-N 3.16Å |
| 281 | P | 73.1 | Confident | 73.2 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.019 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -28.1 | -179.8 | -17.6 | 31.8 | 0 | 0 | 0 | 113 | W260 T263 R264 L267 N278 | W260-P281 PolarHBondContact NE1-O 2.68Å; W260-P281 VanDerWaalsContact NE1-O 3.08Å; T263-P281 HydrophobicContact CG2-CG 4.48Å; R264-P281 HydrophobicContact CG-CB 4.34Å; L267-P281 HydrophobicContact CD1-CG 4.23Å; N278-P281 HydrophobicContact CB-CG 4.36Å; N278-P281 WeakPolarHBondContact O-CD 3.22Å |
| 282 | N | 76.4 | Confident | 74.1 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.6 | -168.2 | 51.2 | 0 | 0 | 0 | 111.7 | N276 P279 I280 I285 N286 | N276-N282 HydrophobicContact CB-CB 4.16Å; N276-N282 PolarHBondContact ND2-OD1 2.84Å; P279-N282 PolarHBondContact O-N 3.32Å; I280-N282 PolarHBondContact O-N 3.37Å; N282-I285 VanDerWaalsContact O-CG2 3.3Å; N282-I285 WeakPolarHBondContact O-CG2 3.22Å; N282-N286 PolarHBondContact ND2-ND2 3.02Å; N282-N286 WeakPolarHBondContact O-CB 3.38Å; N282-N286 PolarHBondContact O-N 3.34Å; N282-N286 VanDerWaalsContact O-N 3.09Å; N282-N286 PolarHBondContact O-ND2 2.88Å; N282-N286 VanDerWaalsContact O-ND2 3.15Å; N282-N286 PolarHBondContact OD1-ND2 3.33Å |
| 283 | W | 79.8 | Confident | 74.8 | Confident | 201 Ų | 201 | 58.5 Ų | 58.5 | 76% | 0.761 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.1 | -35 | 179.6 | -167.6 | 80.2 | 0 | 0 | 0 | 112.6 | P279 I280 I285 N286 G287 | P279-W283 WeakPolarHBondContact O-CB 3.43Å; P279-W283 PolarHBondContact O-N 2.97Å; I280-W283 PolarHBondContact O-N 3.31Å; W283-I285 VanDerWaalsContact C-N 3.28Å; W283-I285 PolarHBondContact O-N 3.47Å; W283-N286 PolarHBondContact O-N 3.27Å; W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 3Å |
| 284 | V | 83.4 | Confident | 75.5 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -36.5 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | V259 W260 I280 P288 | V259-V284 HydrophobicContact CG1-CG1 4.24Å; W260-V284 HydrophobicContact CB-CG1 4.05Å; I280-V284 WeakPolarHBondContact O-CG2 3.5Å; I280-V284 PolarHBondContact O-N 3.48Å; I280-V284 VanDerWaalsContact O-N 3.16Å; V284-P288 WeakPolarHBondContact O-CD 3.29Å; V284-P288 WeakPolarHBondContact O-CG 3.35Å |
| 285 | I | 81.1 | Confident | 76.8 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -86.4 | -41.4 | 178.3 | -168.9 | 71.2 | 0 | 0 | 0 | 112.6 | H211 M215 V257 W260 N282 W283 I289 | H211-I285 HydrophobicContact CB-CD1 4.02Å; H211-I285 HydrophobicContact CB-CG1 4.4Å; M215-I285 HydrophobicContact CE-CD1 3.56Å; M215-I285 HydrophobicContact CE-CG1 4.39Å; V257-I285 HydrophobicContact CG2-CD1 4.25Å; W260-I285 HydrophobicContact CB-CD1 4.44Å; W260-I285 HydrophobicContact CG-CB 4.08Å; W260-I285 HydrophobicContact CG-CD1 4.28Å; N282-I285 VanDerWaalsContact O-CG2 3.3Å; N282-I285 WeakPolarHBondContact O-CG2 3.22Å; W283-I285 VanDerWaalsContact C-N 3.28Å; W283-I285 PolarHBondContact O-N 3.47Å; I285-I289 WeakPolarHBondContact O-CD1 3.24Å; I285-I289 WeakPolarHBondContact O-CG1 3.34Å |
| 286 | N | 78.9 | Confident | 78.2 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79 | -32.2 | -174.9 | -68.5 | -32.9 | 0 | 0 | 0 | 112.9 | N282 W283 I289 V290 | N282-N286 PolarHBondContact ND2-ND2 3.02Å; N282-N286 WeakPolarHBondContact O-CB 3.38Å; N282-N286 PolarHBondContact O-N 3.34Å; N282-N286 VanDerWaalsContact O-N 3.09Å; N282-N286 PolarHBondContact O-ND2 2.88Å; N282-N286 VanDerWaalsContact O-ND2 3.15Å; N282-N286 PolarHBondContact OD1-ND2 3.33Å; W283-N286 PolarHBondContact O-N 3.27Å; N286-I289 WeakPolarHBondContact O-CB 3.24Å; N286-I289 PolarHBondContact O-N 3.08Å; N286-V290 WeakPolarHBondContact O-CG2 3.33Å; N286-V290 PolarHBondContact O-N 2.93Å |
| 287 | G | 82.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.7 | -55.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | W283 I289 V290 V291 | W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 3Å; G287-I289 VanDerWaalsContact C-N 3.26Å; G287-I289 PolarHBondContact O-N 3.47Å; G287-V290 PolarHBondContact O-N 3.3Å; G287-V291 WeakPolarHBondContact O-CG2 3.36Å; G287-V291 PolarHBondContact O-N 2.85Å |
| 288 | P | 85.8 | Confident | 80.5 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -34.8 | 177.3 | -25.6 | 34.6 | 0 | 0 | 0 | 113.7 | M215 F256 V284 S292 | M215-P288 HydrophobicContact CE-CB 4.24Å; F256-P288 HydrophobicContact CB-CG 4.45Å; F256-P288 HydrophobicContact CD1-CB 4.17Å; F256-P288 HydrophobicContact CD1-CG 3.56Å; F256-P288 HydrophobicContact CD2-CB 4.1Å; F256-P288 HydrophobicContact CD2-CG 4.38Å; F256-P288 HydrophobicContact CE1-CB 4.29Å; F256-P288 HydrophobicContact CE1-CG 3.79Å; F256-P288 HydrophobicContact CE2-CB 4.2Å; F256-P288 HydrophobicContact CG-CB 4.08Å; F256-P288 HydrophobicContact CG-CG 3.9Å; F256-P288 HydrophobicContact CZ-CB 4.31Å; F256-P288 HydrophobicContact CZ-CG 4.28Å; V284-P288 WeakPolarHBondContact O-CD 3.29Å; V284-P288 WeakPolarHBondContact O-CG 3.35Å; P288-S292 WeakPolarHBondContact O-CB 3.1Å; P288-S292 PolarHBondContact O-N 3.47Å |
| 289 | I | 82.7 | Confident | 81.3 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -49.1 | 177.5 | -62.9 | 171.3 | 0 | 0 | 0 | 110 | M215 F218 I285 N286 G287 V291 S292 I293 | M215-I289 HydrophobicContact CE-CD1 4.37Å; M215-I289 HydrophobicContact CE-CG1 4Å; F218-I289 HydrophobicContact CD2-CG2 3.87Å; F218-I289 HydrophobicContact CE2-CG2 3.78Å; F218-I289 HydrophobicContact CZ-CG2 4.4Å; I285-I289 WeakPolarHBondContact O-CD1 3.24Å; I285-I289 WeakPolarHBondContact O-CG1 3.34Å; N286-I289 WeakPolarHBondContact O-CB 3.24Å; N286-I289 PolarHBondContact O-N 3.08Å; G287-I289 VanDerWaalsContact C-N 3.26Å; G287-I289 PolarHBondContact O-N 3.47Å; I289-V291 VanDerWaalsContact C-N 3.34Å; I289-V291 PolarHBondContact O-N 2.77Å; I289-S292 PolarHBondContact O-N 3.39Å; I289-I293 HydrophobicContact CG2-CD1 3.83Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.33Å; I289-I293 PolarHBondContact O-N 2.79Å |
| 290 | V | 82 | Confident | 81.7 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | N286 G287 S292 I293 L294 | N286-V290 WeakPolarHBondContact O-CG2 3.33Å; N286-V290 PolarHBondContact O-N 2.93Å; G287-V290 PolarHBondContact O-N 3.3Å; V290-S292 PolarHBondContact O-N 2.91Å; V290-I293 PolarHBondContact O-N 3.01Å; V290-L294 PolarHBondContact O-N 3.49Å |
| 291 | V | 85.9 | Confident | 82 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | G287 I289 I293 L294 V295 | G287-V291 WeakPolarHBondContact O-CG2 3.36Å; G287-V291 PolarHBondContact O-N 2.85Å; I289-V291 VanDerWaalsContact C-N 3.34Å; I289-V291 PolarHBondContact O-N 2.77Å; V291-I293 VanDerWaalsContact C-N 3.32Å; V291-I293 PolarHBondContact O-N 2.99Å; V291-L294 PolarHBondContact O-N 2.87Å; V291-V295 HydrophobicContact CG1-CG2 4.45Å; V291-V295 WeakPolarHBondContact O-CG2 3.33Å; V291-V295 PolarHBondContact O-N 3.03Å |
| 292 | S | 84.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | P288 I289 V290 V295 N296 | P288-S292 WeakPolarHBondContact O-CB 3.1Å; P288-S292 PolarHBondContact O-N 3.47Å; I289-S292 PolarHBondContact O-N 3.39Å; V290-S292 PolarHBondContact O-N 2.91Å; S292-V295 PolarHBondContact O-N 3.26Å; S292-N296 WeakPolarHBondContact O-CB 3.36Å; S292-N296 PolarHBondContact O-N 3.44Å; S292-N296 PolarHBondContact O-ND2 3.45Å |
| 293 | I | 81.8 | Confident | 82.7 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.7 | -68.3 | 164.6 | 0 | 0 | 0 | 110.5 | F218 I289 V290 V291 N296 F297 Y342 V343 | F218-I293 HydrophobicContact CD1-CG1 4Å; F218-I293 HydrophobicContact CE1-CD1 4.02Å; F218-I293 HydrophobicContact CE1-CG1 3.86Å; F218-I293 HydrophobicContact CZ-CD1 4.14Å; F218-I293 HydrophobicContact CZ-CG1 4.46Å; I289-I293 HydrophobicContact CG2-CD1 3.83Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.33Å; I289-I293 PolarHBondContact O-N 2.79Å; V290-I293 PolarHBondContact O-N 3.01Å; V291-I293 VanDerWaalsContact C-N 3.32Å; V291-I293 PolarHBondContact O-N 2.99Å; I293-N296 WeakPolarHBondContact O-CB 3.2Å; I293-N296 PolarHBondContact O-N 3.33Å; I293-F297 PolarHBondContact O-N 3.01Å; I293-Y342 HydrophobicContact CD1-CD2 4.33Å; I293-Y342 HydrophobicContact CD1-CG 4.22Å; I293-V343 HydrophobicContact CG2-CG2 3.49Å; I293-V343 VanDerWaalsContact CG2-CG2 3.49Å |
| 294 | L | 83.9 | Confident | 82.6 | Confident | 98 Ų | 98 | 42.1 Ų | 42.1 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.6 | -179.4 | 63.1 | 0 | 0 | 0 | 111.9 | V290 V291 F297 I298 | V290-L294 PolarHBondContact O-N 3.49Å; V291-L294 PolarHBondContact O-N 2.87Å; L294-F297 WeakPolarHBondContact O-CB 3.43Å; L294-F297 PolarHBondContact O-N 3.4Å; L294-I298 HydrophobicContact CG-CD1 4.26Å; L294-I298 WeakPolarHBondContact O-CG1 3.05Å; L294-I298 PolarHBondContact O-N 3.47Å |
| 295 | V | 86.6 | Confident | 82.6 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | L222 V291 S292 F297 I298 Q299 | L222-V295 HydrophobicContact CD1-CB 4.21Å; L222-V295 HydrophobicContact CD1-CG1 3.54Å; V291-V295 HydrophobicContact CG1-CG2 4.45Å; V291-V295 WeakPolarHBondContact O-CG2 3.33Å; V291-V295 PolarHBondContact O-N 3.03Å; S292-V295 PolarHBondContact O-N 3.26Å; V295-F297 VanDerWaalsContact C-N 3.28Å; V295-F297 PolarHBondContact O-N 2.89Å; V295-I298 PolarHBondContact O-N 3.41Å; V295-Q299 WeakPolarHBondContact O-CB 3.32Å; V295-Q299 PolarHBondContact O-N 2.92Å |
| 296 | N | 83.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -42 | 173.8 | -77.5 | -21.5 | 0 | 0 | 0 | 112 | F218 L222 S292 I293 Q299 F300 | F218-N296 PolarHBondContact O-ND2 3.08Å; L222-N296 WeakPolarHBondContact CA-OD1 3.29Å; L222-N296 WeakPolarHBondContact CB-OD1 3.37Å; L222-N296 WeakPolarHBondContact CD1-OD1 3.4Å; L222-N296 PolarHBondContact N-OD1 3.02Å; S292-N296 WeakPolarHBondContact O-CB 3.36Å; S292-N296 PolarHBondContact O-N 3.44Å; S292-N296 PolarHBondContact O-ND2 3.45Å; I293-N296 WeakPolarHBondContact O-CB 3.2Å; I293-N296 PolarHBondContact O-N 3.33Å; N296-Q299 PolarHBondContact O-N 3.17Å; N296-F300 WeakPolarHBondContact O-CB 3.43Å; N296-F300 PolarHBondContact O-N 2.98Å |
| 297 | F | 82.2 | Confident | 82.3 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.7 | -178.5 | -103 | 0 | 0 | 0 | 112.2 | I293 L294 V295 Q299 F300 I301 I340 | I293-F297 PolarHBondContact O-N 3.01Å; L294-F297 WeakPolarHBondContact O-CB 3.43Å; L294-F297 PolarHBondContact O-N 3.4Å; V295-F297 VanDerWaalsContact C-N 3.28Å; V295-F297 PolarHBondContact O-N 2.89Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.27Å; F297-F300 WeakPolarHBondContact O-CB 3.45Å; F297-F300 PolarHBondContact O-N 2.97Å; F297-I301 HydrophobicContact CD1-CG1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 4.47Å; F297-I301 HydrophobicContact CE1-CG1 4.06Å; F297-I301 HydrophobicContact CE2-CD1 4.32Å; F297-I301 HydrophobicContact CZ-CD1 4.01Å; F297-I301 HydrophobicContact CZ-CG1 4.09Å; F297-I301 WeakPolarHBondContact O-CG1 3.19Å; F297-I301 PolarHBondContact O-N 3.33Å; F297-I340 HydrophobicContact CD2-CD1 4.41Å; F297-I340 HydrophobicContact CD2-CG1 4.15Å; F297-I340 HydrophobicContact CD2-CG2 4.39Å; F297-I340 HydrophobicContact CE2-CG2 4.25Å |
| 298 | I | 84.6 | Confident | 82 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 176 | -66.1 | 165.4 | 0 | 0 | 0 | 110.3 | L294 V295 F300 I301 N302 | L294-I298 HydrophobicContact CG-CD1 4.26Å; L294-I298 WeakPolarHBondContact O-CG1 3.05Å; L294-I298 PolarHBondContact O-N 3.47Å; V295-I298 PolarHBondContact O-N 3.41Å; I298-F300 VanDerWaalsContact C-N 3.31Å; I298-F300 PolarHBondContact O-N 2.9Å; I298-I301 PolarHBondContact O-N 3.29Å; I298-N302 PolarHBondContact O-N 3.41Å; I298-N302 PolarHBondContact O-ND2 3.22Å |
| 299 | Q | 81.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 179.3 | -172.5 | 54.3 | 85.4 | 0 | 0 | 111.8 | H229 V295 N296 F297 N302 I303 | H229-Q299 VanDerWaalsContact CB-CD 3.43Å; H229-Q299 HydrophobicContact CB-CG 4.48Å; H229-Q299 PolarHBondContact CD2-NE2 2.83Å; V295-Q299 WeakPolarHBondContact O-CB 3.32Å; V295-Q299 PolarHBondContact O-N 2.92Å; N296-Q299 PolarHBondContact O-N 3.17Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.27Å; Q299-N302 PolarHBondContact O-N 3.37Å; Q299-I303 HydrophobicContact CG-CD1 3.97Å; Q299-I303 WeakPolarHBondContact O-CD1 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.24Å; Q299-I303 PolarHBondContact O-N 3.49Å |
| 300 | F | 80 | Confident | 80.9 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 174.5 | 170.8 | -98.4 | 0 | 0 | 0 | 111.9 | N296 F297 I298 N302 I303 I304 I335 F338 I340 | N296-F300 WeakPolarHBondContact O-CB 3.43Å; N296-F300 PolarHBondContact O-N 2.98Å; F297-F300 WeakPolarHBondContact O-CB 3.45Å; F297-F300 PolarHBondContact O-N 2.97Å; I298-F300 VanDerWaalsContact C-N 3.31Å; I298-F300 PolarHBondContact O-N 2.9Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.81Å; F300-I303 PolarHBondContact O-N 2.83Å; F300-I304 HydrophobicContact CD1-CG1 4.38Å; F300-I304 HydrophobicContact CD2-CG1 4.18Å; F300-I304 HydrophobicContact CE1-CG1 3.86Å; F300-I304 HydrophobicContact CE2-CD1 3.82Å; F300-I304 HydrophobicContact CE2-CG1 3.64Å; F300-I304 HydrophobicContact CZ-CD1 3.84Å; F300-I304 HydrophobicContact CZ-CG1 3.43Å; F300-I304 VanDerWaalsContact CZ-CG1 3.43Å; F300-I304 WeakPolarHBondContact O-CG1 3.03Å; F300-I304 PolarHBondContact O-N 2.83Å; F300-I335 HydrophobicContact CE2-CG1 4.02Å; F300-I335 HydrophobicContact CZ-CD1 4.31Å; F300-I335 HydrophobicContact CZ-CG1 3.62Å; F300-F338 HydrophobicContact CB-CD2 4.3Å; F300-F338 HydrophobicContact CB-CG 4.42Å; F300-F338 AromaticContact CD2-CD2 3.51Å; F300-F338 HydrophobicContact CD2-CD2 3.51Å; F300-F338 AromaticContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CG 4.38Å; F300-F338 HydrophobicContact CE2-CD2 4.27Å; F300-F338 HydrophobicContact CG-CD2 4.24Å; F300-I340 HydrophobicContact CD1-CD1 3.53Å; F300-I340 HydrophobicContact CD2-CD1 4.29Å; F300-I340 HydrophobicContact CE1-CD1 3.59Å; F300-I340 HydrophobicContact CE2-CD1 4.34Å; F300-I340 HydrophobicContact CG-CD1 3.91Å; F300-I340 HydrophobicContact CZ-CD1 4.03Å |
| 301 | I | 81.9 | Confident | 80 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 42% | 0.415 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 178.1 | -62.4 | -60.2 | 0 | 0 | 0 | 111.1 | F297 I298 I304 R305 | F297-I301 HydrophobicContact CD1-CG1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 4.47Å; F297-I301 HydrophobicContact CE1-CG1 4.06Å; F297-I301 HydrophobicContact CE2-CD1 4.32Å; F297-I301 HydrophobicContact CZ-CD1 4.01Å; F297-I301 HydrophobicContact CZ-CG1 4.09Å; F297-I301 WeakPolarHBondContact O-CG1 3.19Å; F297-I301 PolarHBondContact O-N 3.33Å; I298-I301 PolarHBondContact O-N 3.29Å; I301-I304 PolarHBondContact O-N 2.91Å; I301-R305 WeakPolarHBondContact O-CB 3.27Å; I301-R305 PolarHBondContact O-N 3.49Å |
| 302 | N | 82.9 | Confident | 79.1 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177 | -71.3 | -24.1 | 0 | 0 | 0 | 112.2 | I298 Q299 F300 R305 I306 | I298-N302 PolarHBondContact O-N 3.41Å; I298-N302 PolarHBondContact O-ND2 3.22Å; Q299-N302 PolarHBondContact O-N 3.37Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.81Å; N302-R305 PolarHBondContact O-N 3.27Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.25Å; N302-I306 PolarHBondContact O-N 3.48Å |
| 303 | I | 80.6 | Confident | 77.8 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.9 | -69.3 | 158.4 | 0 | 0 | 0 | 110.5 | L228 H229 L232 Q299 F300 R305 I306 L307 | L228-I303 HydrophobicContact CD2-CD1 4.12Å; L228-I303 HydrophobicContact CD2-CG2 4.07Å; H229-I303 HydrophobicContact CB-CG1 4.43Å; L232-I303 HydrophobicContact CD1-CG2 4.32Å; Q299-I303 HydrophobicContact CG-CD1 3.97Å; Q299-I303 WeakPolarHBondContact O-CD1 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.24Å; Q299-I303 PolarHBondContact O-N 3.49Å; F300-I303 PolarHBondContact O-N 2.83Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.39Å; I303-I306 PolarHBondContact O-N 3.04Å; I303-L307 VanDerWaalsContact O-CB 3.27Å; I303-L307 WeakPolarHBondContact O-CB 3.27Å; I303-L307 PolarHBondContact O-N 3.41Å |
| 304 | I | 78.3 | Confident | 76.5 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.9 | -66.9 | -61.2 | 0 | 0 | 0 | 110.8 | F300 I301 I306 L307 V308 T331 | F300-I304 HydrophobicContact CD1-CG1 4.38Å; F300-I304 HydrophobicContact CD2-CG1 4.18Å; F300-I304 HydrophobicContact CE1-CG1 3.86Å; F300-I304 HydrophobicContact CE2-CD1 3.82Å; F300-I304 HydrophobicContact CE2-CG1 3.64Å; F300-I304 HydrophobicContact CZ-CD1 3.84Å; F300-I304 HydrophobicContact CZ-CG1 3.43Å; F300-I304 VanDerWaalsContact CZ-CG1 3.43Å; F300-I304 WeakPolarHBondContact O-CG1 3.03Å; F300-I304 PolarHBondContact O-N 2.83Å; I301-I304 PolarHBondContact O-N 2.91Å; I304-I306 PolarHBondContact O-N 2.9Å; I304-L307 PolarHBondContact O-N 2.77Å; I304-V308 HydrophobicContact CG2-CG2 4.12Å; I304-V308 WeakPolarHBondContact O-CB 3.43Å; I304-V308 VanDerWaalsContact O-CG2 3.24Å; I304-V308 WeakPolarHBondContact O-CG2 3.41Å; I304-V308 PolarHBondContact O-N 3.32Å; I304-T331 HydrophobicContact CD1-CG2 3.97Å |
| 305 | R | 83.3 | Confident | 75.1 | Confident | 161 Ų | 161 | 77.2 Ų | 77.2 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.3 | -48.5 | 176.8 | -176.2 | -178.8 | 178.7 | -179.2 | 1.8 | 111.4 | I301 N302 I303 V308 Q309 | I301-R305 WeakPolarHBondContact O-CB 3.27Å; I301-R305 PolarHBondContact O-N 3.49Å; N302-R305 PolarHBondContact O-N 3.27Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.39Å; R305-V308 PolarHBondContact O-N 2.91Å; R305-Q309 WeakPolarHBondContact O-CB 3.35Å; R305-Q309 WeakPolarHBondContact O-CG 3.32Å; R305-Q309 PolarHBondContact O-N 3.38Å |
| 306 | I | 78.3 | Confident | 73.5 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.9 | -65.8 | 164.9 | 0 | 0 | 0 | 110.6 | L232 V233 N302 I303 I304 V308 Q309 K310 | L232-I306 HydrophobicContact CB-CG2 4.22Å; L232-I306 HydrophobicContact CD1-CG2 4.31Å; V233-I306 HydrophobicContact CG2-CD1 3.7Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.25Å; N302-I306 PolarHBondContact O-N 3.48Å; I303-I306 PolarHBondContact O-N 3.04Å; I304-I306 PolarHBondContact O-N 2.9Å; I306-V308 PolarHBondContact O-N 3.28Å; I306-Q309 PolarHBondContact O-N 2.9Å; I306-K310 HydrophobicContact CG2-CG 4.43Å; I306-K310 WeakPolarHBondContact O-CG 3.03Å; I306-K310 PolarHBondContact O-N 2.85Å |
| 307 | L | 75.3 | Confident | 71.8 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 178.9 | -177.4 | 65.5 | 0 | 0 | 0 | 111.3 | I303 I304 K310 L311 T331 | I303-L307 VanDerWaalsContact O-CB 3.27Å; I303-L307 WeakPolarHBondContact O-CB 3.27Å; I303-L307 PolarHBondContact O-N 3.41Å; I304-L307 PolarHBondContact O-N 2.77Å; L307-K310 PolarHBondContact O-N 2.75Å; L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD2-CD1 4.49Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 WeakPolarHBondContact O-CD1 3.37Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.95Å; L307-T331 HydrophobicContact CD2-CG2 3.86Å |
| 308 | V | 75.8 | Confident | 70.8 | Confident | 74 Ų | 74 | 85.8 Ų | 85.8 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I304 R305 I306 L311 R312 | I304-V308 HydrophobicContact CG2-CG2 4.12Å; I304-V308 WeakPolarHBondContact O-CB 3.43Å; I304-V308 VanDerWaalsContact O-CG2 3.24Å; I304-V308 WeakPolarHBondContact O-CG2 3.41Å; I304-V308 PolarHBondContact O-N 3.32Å; R305-V308 PolarHBondContact O-N 2.91Å; I306-V308 PolarHBondContact O-N 3.28Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.49Å; V308-R312 VanDerWaalsContact O-CB 3.32Å; V308-R312 WeakPolarHBondContact O-CB 3.22Å; V308-R312 PolarHBondContact O-N 2.91Å |
| 309 | Q | 75.6 | Confident | 69.4 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 174.3 | -76.8 | 172.5 | -11.6 | 0 | 0 | 111.4 | R305 I306 R312 C313 | R305-Q309 WeakPolarHBondContact O-CB 3.35Å; R305-Q309 WeakPolarHBondContact O-CG 3.32Å; R305-Q309 PolarHBondContact O-N 3.38Å; I306-Q309 PolarHBondContact O-N 2.9Å; Q309-R312 PolarHBondContact O-N 3.35Å; Q309-C313 PolarHBondContact O-N 3.29Å |
| 310 | K | 70 | Confident | 68.1 | Low | 139 Ų | 139 | 90.3 Ų | 90.3 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -38.4 | 176.2 | -69.9 | -73.4 | -175.4 | 177.2 | 0 | 112.5 | I306 L307 R312 | I306-K310 HydrophobicContact CG2-CG 4.43Å; I306-K310 WeakPolarHBondContact O-CG 3.03Å; I306-K310 PolarHBondContact O-N 2.85Å; L307-K310 PolarHBondContact O-N 2.75Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.74Å |
| 311 | L | 63.8 | Low | 66.8 | Low | 63 Ų | 63 | 97.7 Ų | 97.7 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -31.1 | 173.6 | -85.1 | 157.3 | 0 | 0 | 0 | 113.3 | L307 V308 Y324 A328 | L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD2-CD1 4.49Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 WeakPolarHBondContact O-CD1 3.37Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.95Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.49Å; L311-Y324 HydrophobicContact CD2-CD1 3.5Å; L311-Y324 HydrophobicContact CD2-CG 3.74Å; L311-Y324 HydrophobicContact CG-CD1 3.93Å; L311-A328 HydrophobicContact CD1-CB 4.13Å |
| 312 | R | 65.9 | Low | 65.5 | Low | 212 Ų | 212 | 96.6 Ų | 96.6 | 80% | 0.8 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -92.1 | -9.9 | -173.7 | -159.6 | 171.1 | -172.6 | 171 | 1.8 | 113.6 | V308 Q309 K310 P314 | V308-R312 VanDerWaalsContact O-CB 3.32Å; V308-R312 WeakPolarHBondContact O-CB 3.22Å; V308-R312 PolarHBondContact O-N 2.91Å; Q309-R312 PolarHBondContact O-N 3.35Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.74Å; R312-P314 VanDerWaalsContact O-CD 3.29Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å |
| 313 | C | 58.2 | Low | 64.2 | Low | 100 Ų | 100 | 98.5 Ų | 98.5 | 68% | 0.676 | 53% | 0.532 | S | S | * | . | trans | -92.7 | 100.5 | 171.4 | -71.8 | 0 | 0 | 0 | 0 | 109.7 | Q309 D315 | Q309-C313 PolarHBondContact O-N 3.29Å; C313-D315 PolarHBondContact O-N 2.9Å | ||
| 314 | P | 53.9 | Low | 62.9 | Low | 120 Ų | 120 | 103.1 Ų | 103.1 | 78% | 0.779 | 55% | 0.55 | S | S | * | . | trans | -97.6 | 75.7 | -174.4 | 34.9 | -19.8 | 0 | 0 | 0 | 108.9 | R312 | R312-P314 VanDerWaalsContact O-CD 3.29Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å | ||
| 315 | D | 53.8 | Low | 61.9 | Low | 155 Ų | 155 | 109.9 Ų | 109.9 | 83% | 0.829 | 57% | 0.572 | S | S | * | * | trans | -93.4 | 105.4 | 164.1 | -102.9 | -30.6 | 0 | 0 | 0 | 109.2 | C313 | C313-D315 PolarHBondContact O-N 2.9Š| ||
| 316 | I | 52.8 | Low | 60.6 | Low | 157 Ų | 157 | 110.2 Ų | 110.2 | 81% | 0.805 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 83.3 | 106 | 162 | -54.8 | 155 | 0 | 0 | 0 | 116.6 | ||
| 317 | G | 48.3 | Very low | 59.4 | Low | 57 Ų | 57 | 113.2 Ų | 113.2 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | trans | 106.5 | 104.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | N319 | G317-N319 PolarHBondContact O-N 3.39Š| ||
| 318 | G | 62.4 | Low | 58.4 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 93% | 0.928 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 99.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 319 | N | 53.7 | Low | 57.7 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.3 | -26.5 | 153.9 | -172.5 | 33.9 | 0 | 0 | 0 | 109.1 | G317 Q321 S322 | G317-N319 PolarHBondContact O-N 3.39Å; N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.49Å; N319-S322 PolarHBondContact O-N 2.82Å; N319-S322 PolarHBondContact O-OG 3.47Å |
| 320 | D | 55.2 | Low | 56.6 | Low | 77 Ų | 77 | 113.9 Ų | 113.9 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.7 | -21.9 | -177.1 | -69.2 | -27.5 | 0 | 0 | 0 | 114 | S322 Q323 Y324 | D320-S322 PolarHBondContact O-N 3.47Å; D320-Q323 WeakPolarHBondContact O-CB 3.22Å; D320-Q323 PolarHBondContact O-N 2.95Å; D320-Y324 HydrophobicContact CB-CD2 4.24Å; D320-Y324 WeakPolarHBondContact O-CB 3.5Å; D320-Y324 WeakPolarHBondContact O-CD2 3.41Å; D320-Y324 PolarHBondContact O-N 3.39Å |
| 321 | Q | 52.1 | Low | 56 | Low | 172 Ų | 172 | 108.4 Ų | 108.4 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.3 | -32.5 | 174.5 | -159.7 | -175 | 16.5 | 0 | 0 | 112.2 | N319 R325 | N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.49Å; Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.21Å; Q321-R325 PolarHBondContact O-N 3.29Å |
| 322 | S | 54.7 | Low | 55.5 | Low | 58 Ų | 58 | 111 Ų | 111 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.9 | -37.5 | 175.6 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | N319 D320 R326 | N319-S322 PolarHBondContact O-N 2.82Å; N319-S322 PolarHBondContact O-OG 3.47Å; D320-S322 PolarHBondContact O-N 3.47Å; S322-R326 VanDerWaalsContact O-CB 3.29Å; S322-R326 WeakPolarHBondContact O-CB 3.46Å; S322-R326 PolarHBondContact O-N 3.37Å |
| 323 | Q | 55.8 | Low | 55 | Low | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.4 | -45.2 | 173.3 | -88.3 | -151.2 | 12.7 | 0 | 0 | 111.3 | D320 R326 L327 | D320-Q323 WeakPolarHBondContact O-CB 3.22Å; D320-Q323 PolarHBondContact O-N 2.95Å; Q323-R326 CarbonylContact O-C 3.54Å; Q323-R326 WeakPolarHBondContact O-CA 3.32Å; Q323-R326 WeakPolarHBondContact O-CB 3.36Å; Q323-R326 PolarHBondContact O-N 2.95Å; Q323-R326 VanDerWaalsContact O-N 3.17Å; Q323-L327 WeakPolarHBondContact O-CB 3.49Å; Q323-L327 PolarHBondContact O-N 3.33Å |
| 324 | Y | 53.3 | Low | 54.9 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | -179.8 | -98.5 | -70.1 | 0 | 0 | 0 | 112.5 | L311 D320 R326 L327 A328 | L311-Y324 HydrophobicContact CD2-CD1 3.5Å; L311-Y324 HydrophobicContact CD2-CG 3.74Å; L311-Y324 HydrophobicContact CG-CD1 3.93Å; D320-Y324 HydrophobicContact CB-CD2 4.24Å; D320-Y324 WeakPolarHBondContact O-CB 3.5Å; D320-Y324 WeakPolarHBondContact O-CD2 3.41Å; D320-Y324 PolarHBondContact O-N 3.39Å; Y324-R326 VanDerWaalsContact C-N 3.31Å; Y324-R326 PolarHBondContact O-N 2.92Å; Y324-L327 PolarHBondContact O-N 2.74Å; Y324-A328 VanDerWaalsContact O-CB 3.26Å; Y324-A328 WeakPolarHBondContact O-CB 3.39Å; Y324-A328 PolarHBondContact O-N 2.85Å |
| 325 | R | 57 | Low | 54.9 | Low | 191 Ų | 191 | 98.3 Ų | 98.3 | 72% | 0.721 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | 169.7 | -168.7 | 175.4 | 73 | -162.1 | 3.5 | 112.1 | Q321 K329 | Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.21Å; Q321-R325 PolarHBondContact O-N 3.29Å; R325-K329 VanDerWaalsContact O-CB 3.29Å; R325-K329 WeakPolarHBondContact O-CB 3.43Å; R325-K329 PolarHBondContact O-N 3.34Å |
| 326 | R | 57.3 | Low | 54.8 | Low | 167 Ų | 167 | 93.7 Ų | 93.7 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.9 | -38.1 | 174.3 | -167.6 | 177.5 | 70.3 | -164.9 | 1.5 | 111.8 | S322 Q323 Y324 K329 S330 | S322-R326 VanDerWaalsContact O-CB 3.29Å; S322-R326 WeakPolarHBondContact O-CB 3.46Å; S322-R326 PolarHBondContact O-N 3.37Å; Q323-R326 CarbonylContact O-C 3.54Å; Q323-R326 WeakPolarHBondContact O-CA 3.32Å; Q323-R326 WeakPolarHBondContact O-CB 3.36Å; Q323-R326 PolarHBondContact O-N 2.95Å; Q323-R326 VanDerWaalsContact O-N 3.17Å; Y324-R326 VanDerWaalsContact C-N 3.31Å; Y324-R326 PolarHBondContact O-N 2.92Å; R326-K329 PolarHBondContact O-N 3.36Å; R326-S330 PolarHBondContact O-N 3.16Å |
| 327 | L | 52.7 | Low | 55 | Low | 91 Ų | 91 | 86.3 Ų | 86.3 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -49.9 | 173.4 | -133.3 | 80.8 | 0 | 0 | 0 | 110.2 | Q323 Y324 K329 S330 T331 | Q323-L327 WeakPolarHBondContact O-CB 3.49Å; Q323-L327 PolarHBondContact O-N 3.33Å; Y324-L327 PolarHBondContact O-N 2.74Å; L327-K329 VanDerWaalsContact C-N 3.32Å; L327-K329 PolarHBondContact O-N 2.89Å; L327-S330 CarbonylContact O-C 3.56Å; L327-S330 WeakPolarHBondContact O-CA 3.44Å; L327-S330 VanDerWaalsContact O-CB 3.28Å; L327-S330 WeakPolarHBondContact O-CB 3.5Å; L327-S330 PolarHBondContact O-N 2.92Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.4Å |
| 328 | A | 54 | Low | 55.5 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L311 Y324 S330 T331 L332 | L311-A328 HydrophobicContact CD1-CB 4.13Å; Y324-A328 VanDerWaalsContact O-CB 3.26Å; Y324-A328 WeakPolarHBondContact O-CB 3.39Å; Y324-A328 PolarHBondContact O-N 2.85Å; A328-S330 VanDerWaalsContact C-N 3.31Å; A328-S330 PolarHBondContact O-N 2.94Å; A328-T331 CarbonylContact O-C 3.56Å; A328-T331 PolarHBondContact O-N 2.97Å; A328-L332 WeakPolarHBondContact O-CB 3.44Å; A328-L332 PolarHBondContact O-N 3.39Å |
| 329 | K | 60.5 | Low | 55.4 | Low | 151 Ų | 151 | 79.6 Ų | 79.6 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 172.6 | -171 | 176.2 | -179.4 | 179.7 | 0 | 112.3 | R325 R326 L327 L333 | R325-K329 VanDerWaalsContact O-CB 3.29Å; R325-K329 WeakPolarHBondContact O-CB 3.43Å; R325-K329 PolarHBondContact O-N 3.34Å; R326-K329 PolarHBondContact O-N 3.36Å; L327-K329 VanDerWaalsContact C-N 3.32Å; L327-K329 PolarHBondContact O-N 2.89Å; K329-L333 PolarHBondContact O-N 3.46Å; K329-L333 VanDerWaalsContact O-N 3.09Å |
| 330 | S | 53 | Low | 55.6 | Low | 46 Ų | 46 | 74.9 Ų | 74.9 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.9 | -33.6 | 173.2 | -159.9 | 0 | 0 | 0 | 0 | 112.6 | R326 L327 A328 L333 L334 | R326-S330 PolarHBondContact O-N 3.16Å; L327-S330 CarbonylContact O-C 3.56Å; L327-S330 WeakPolarHBondContact O-CA 3.44Å; L327-S330 VanDerWaalsContact O-CB 3.28Å; L327-S330 WeakPolarHBondContact O-CB 3.5Å; L327-S330 PolarHBondContact O-N 2.92Å; A328-S330 VanDerWaalsContact C-N 3.31Å; A328-S330 PolarHBondContact O-N 2.94Å; S330-L333 WeakPolarHBondContact O-CB 3.44Å; S330-L333 PolarHBondContact O-N 3.48Å; S330-L334 PolarHBondContact O-N 3.39Å |
| 331 | T | 57.5 | Low | 55.9 | Low | 24 Ų | 24 | 72 Ų | 72 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.5 | -29.2 | 171.9 | -42.8 | 0 | 0 | 0 | 0 | 111.7 | I304 L307 L327 A328 L333 L334 | I304-T331 HydrophobicContact CD1-CG2 3.97Å; L307-T331 HydrophobicContact CD2-CG2 3.86Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.4Å; A328-T331 CarbonylContact O-C 3.56Å; A328-T331 PolarHBondContact O-N 2.97Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L334 HydrophobicContact CG2-CD2 4.44Å; T331-L334 WeakPolarHBondContact O-CA 3.38Å; T331-L334 WeakPolarHBondContact O-CB 3.34Å; T331-L334 PolarHBondContact O-N 3.04Å |
| 332 | L | 53.9 | Low | 56.2 | Low | 118 Ų | 118 | 66 Ų | 66 | 62% | 0.618 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.3 | -31.5 | 169.6 | -132.9 | 112.5 | 0 | 0 | 0 | 111.2 | A328 L334 I335 | A328-L332 WeakPolarHBondContact O-CB 3.44Å; A328-L332 PolarHBondContact O-N 3.39Å; L332-L334 PolarHBondContact O-N 3.03Å; L332-I335 HydrophobicContact CB-CD1 4.28Å; L332-I335 HydrophobicContact CD2-CD1 4.23Å; L332-I335 HydrophobicContact CG-CD1 3.63Å; L332-I335 WeakPolarHBondContact O-CB 3.48Å; L332-I335 WeakPolarHBondContact O-CD1 3.5Å; L332-I335 WeakPolarHBondContact O-CG1 3.21Å; L332-I335 PolarHBondContact O-N 3.45Å |
| 333 | L | 54.2 | Low | 56.3 | Low | 91 Ų | 91 | 65.3 Ų | 65.3 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.9 | 169 | -79.6 | 161.7 | 0 | 0 | 0 | 113.1 | K329 S330 T331 I335 P336 L373 | K329-L333 PolarHBondContact O-N 3.46Å; K329-L333 VanDerWaalsContact O-N 3.09Å; S330-L333 WeakPolarHBondContact O-CB 3.44Å; S330-L333 PolarHBondContact O-N 3.48Å; T331-L333 VanDerWaalsContact C-N 3.31Å; L333-I335 VanDerWaalsContact C-N 3.31Å; L333-P336 WeakPolarHBondContact O-CD 3.19Å; L333-L373 HydrophobicContact CB-CD1 4.07Å; L333-L373 HydrophobicContact CB-CD2 4.41Å; L333-L373 HydrophobicContact CD1-CD2 4.44Å |
| 334 | L | 56.3 | Low | 56.3 | Low | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.2 | 171.6 | -129.5 | 70.8 | 0 | 0 | 0 | 112.1 | S330 T331 L332 L337 F338 L373 Y374 | S330-L334 PolarHBondContact O-N 3.39Å; T331-L334 HydrophobicContact CG2-CD2 4.44Å; T331-L334 WeakPolarHBondContact O-CA 3.38Å; T331-L334 WeakPolarHBondContact O-CB 3.34Å; T331-L334 PolarHBondContact O-N 3.04Å; L332-L334 PolarHBondContact O-N 3.03Å; L334-L337 HydrophobicContact CD1-CD2 3.72Å; L334-L337 HydrophobicContact CG-CB 4.31Å; L334-L337 HydrophobicContact CG-CD2 3.85Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 3.5Å; L334-F338 HydrophobicContact CB-CE2 4.32Å; L334-F338 HydrophobicContact CD2-CE2 3.77Å; L334-F338 HydrophobicContact CD2-CZ 4.07Å; L334-F338 HydrophobicContact CG-CE2 3.99Å; L334-F338 WeakPolarHBondContact O-CD2 3.12Å; L334-L373 HydrophobicContact CD1-CD1 3.85Å; L334-Y374 HydrophobicContact CD1-CE2 4.35Å |
| 335 | I | 54.5 | Low | 56.3 | Low | 61 Ų | 61 | 60.9 Ų | 60.9 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -42.3 | 179.5 | -69 | 177.5 | 0 | 0 | 0 | 113.4 | F300 L332 L333 L337 I340 | F300-I335 HydrophobicContact CE2-CG1 4.02Å; F300-I335 HydrophobicContact CZ-CD1 4.31Å; F300-I335 HydrophobicContact CZ-CG1 3.62Å; L332-I335 HydrophobicContact CB-CD1 4.28Å; L332-I335 HydrophobicContact CD2-CD1 4.23Å; L332-I335 HydrophobicContact CG-CD1 3.63Å; L332-I335 WeakPolarHBondContact O-CB 3.48Å; L332-I335 WeakPolarHBondContact O-CD1 3.5Å; L332-I335 WeakPolarHBondContact O-CG1 3.21Å; L332-I335 PolarHBondContact O-N 3.45Å; L333-I335 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 3Å; I335-I340 HydrophobicContact CG2-CD1 4.14Å; I335-I340 WeakPolarHBondContact O-CD1 3.24Å; I335-I340 WeakPolarHBondContact O-CG1 3.11Å |
| 336 | P | 51.3 | Low | 56.1 | Low | 58 Ų | 58 | 57.2 Ų | 57.2 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.6 | 172.6 | -15.3 | 31.2 | 0 | 0 | 0 | 112.9 | L333 | L333-P336 WeakPolarHBondContact O-CD 3.19Š|
| 337 | L | 57.8 | Low | 55.6 | Low | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -29.9 | -168.8 | -139.7 | 85.1 | 0 | 0 | 0 | 113.7 | L221 L334 I335 G339 Q366 V369 V370 Y374 | L221-L337 WeakPolarHBondContact CD2-O 3.1Å; L334-L337 HydrophobicContact CD1-CD2 3.72Å; L334-L337 HydrophobicContact CG-CB 4.31Å; L334-L337 HydrophobicContact CG-CD2 3.85Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 3.5Å; I335-L337 PolarHBondContact O-N 3Å; L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.39Å; L337-Q366 HydrophobicContact CD1-CG 4.4Å; L337-Q366 PolarHBondContact O-NE2 3.08Å; L337-V369 HydrophobicContact CD1-CB 4.47Å; L337-V369 HydrophobicContact CD1-CG1 4.24Å; L337-V370 HydrophobicContact CD1-CB 4.17Å; L337-V370 HydrophobicContact CD1-CG2 3.22Å; L337-V370 HydrophobicContact CD2-CG2 3.93Å; L337-V370 HydrophobicContact CG-CG2 3.66Å; L337-Y374 HydrophobicContact CD2-CE2 3.87Å |
| 338 | F | 59.2 | Low | 55.6 | Low | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 9.7 | -176.6 | -70.9 | -71.9 | 0 | 0 | 0 | 114.3 | F300 L334 I340 | F300-F338 HydrophobicContact CB-CD2 4.3Å; F300-F338 HydrophobicContact CB-CG 4.42Å; F300-F338 AromaticContact CD2-CD2 3.51Å; F300-F338 HydrophobicContact CD2-CD2 3.51Å; F300-F338 AromaticContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CG 4.38Å; F300-F338 HydrophobicContact CE2-CD2 4.27Å; F300-F338 HydrophobicContact CG-CD2 4.24Å; L334-F338 HydrophobicContact CB-CE2 4.32Å; L334-F338 HydrophobicContact CD2-CE2 3.77Å; L334-F338 HydrophobicContact CD2-CZ 4.07Å; L334-F338 HydrophobicContact CG-CE2 3.99Å; L334-F338 WeakPolarHBondContact O-CD2 3.12Å; F338-I340 HydrophobicContact CB-CG1 4.3Å |
| 339 | G | 58.5 | Low | 55.3 | Low | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 23.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L337 H341 Y342 | L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.39Å; G339-H341 PolarHBondContact O-N 2.98Å; G339-Y342 WeakPolarHBondContact O-CB 3.21Å; G339-Y342 PolarHBondContact O-N 3.42Å; G339-Y342 VanDerWaalsContact O-N 3.07Å |
| 340 | I | 59.7 | Low | 54.8 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 177.4 | -56.9 | -175.6 | 0 | 0 | 0 | 110.8 | F297 F300 I335 F338 Y342 V343 V344 | F297-I340 HydrophobicContact CD2-CD1 4.41Å; F297-I340 HydrophobicContact CD2-CG1 4.15Å; F297-I340 HydrophobicContact CD2-CG2 4.39Å; F297-I340 HydrophobicContact CE2-CG2 4.25Å; F300-I340 HydrophobicContact CD1-CD1 3.53Å; F300-I340 HydrophobicContact CD2-CD1 4.29Å; F300-I340 HydrophobicContact CE1-CD1 3.59Å; F300-I340 HydrophobicContact CE2-CD1 4.34Å; F300-I340 HydrophobicContact CG-CD1 3.91Å; F300-I340 HydrophobicContact CZ-CD1 4.03Å; I335-I340 HydrophobicContact CG2-CD1 4.14Å; I335-I340 WeakPolarHBondContact O-CD1 3.24Å; I335-I340 WeakPolarHBondContact O-CG1 3.11Å; F338-I340 HydrophobicContact CB-CG1 4.3Å; I340-Y342 PolarHBondContact O-N 3.48Å; I340-V343 PolarHBondContact O-N 3.46Å; I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.06Å |
| 341 | H | 60.2 | Low | 55 | Low | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.069 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57 | -38.7 | 173 | 60 | -76.5 | 0 | 0 | 0 | 111.5 | G339 V343 V344 F345 D359 L362 | G339-H341 PolarHBondContact O-N 2.98Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.22Å; H341-V344 PolarHBondContact O-N 2.92Å; H341-F345 HydrophobicContact CB-CE2 4.46Å; H341-F345 WeakPolarHBondContact O-CD2 3.38Å; H341-F345 PolarHBondContact O-N 3.44Å; H341-D359 IonicContact CD2-OD1 3.82Å; H341-L362 HydrophobicContact CB-CD1 4.05Å |
| 342 | Y | 59.5 | Low | 55 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 175.9 | -62.2 | -67.3 | 0 | 0 | 0 | 113.7 | R176 F218 I293 G339 I340 I346 | R176-Y342 PolarHBondContact NH2-OH 3.11Å; F218-Y342 AromaticContact CE1-CD2 3.79Å; F218-Y342 HydrophobicContact CE1-CD2 3.79Å; F218-Y342 AromaticContact CE1-CE2 3.57Å; F218-Y342 HydrophobicContact CE1-CE2 3.57Å; F218-Y342 AromaticContact CZ-CD2 3.92Å; F218-Y342 HydrophobicContact CZ-CD2 3.92Å; F218-Y342 AromaticContact CZ-CE2 3.48Å; F218-Y342 HydrophobicContact CZ-CE2 3.48Å; F218-Y342 VanDerWaalsContact CZ-CE2 3.48Å; F218-Y342 AromaticContact CZ-CZ 3.9Å; I293-Y342 HydrophobicContact CD1-CD2 4.33Å; I293-Y342 HydrophobicContact CD1-CG 4.22Å; G339-Y342 WeakPolarHBondContact O-CB 3.21Å; G339-Y342 PolarHBondContact O-N 3.42Å; G339-Y342 VanDerWaalsContact O-N 3.07Å; I340-Y342 PolarHBondContact O-N 3.48Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å |
| 343 | V | 56.3 | Low | 55.1 | Low | 44 Ų | 44 | 63.4 Ų | 63.4 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81 | -39.7 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | I293 I340 H341 F345 I346 | I293-V343 HydrophobicContact CG2-CG2 3.49Å; I293-V343 VanDerWaalsContact CG2-CG2 3.49Å; I340-V343 PolarHBondContact O-N 3.46Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.22Å; V343-F345 PolarHBondContact O-N 3.42Å; V343-I346 WeakPolarHBondContact O-CB 3.47Å; V343-I346 PolarHBondContact O-N 3.13Å; V343-I346 VanDerWaalsContact O-N 3.14Å |
| 344 | V | 55.7 | Low | 55.4 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -29.4 | -179.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | I340 H341 | I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.06Å; H341-V344 PolarHBondContact O-N 2.92Å |
| 345 | F | 53.7 | Low | 55.5 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.7 | 177.6 | -67.2 | -66.5 | 0 | 0 | 0 | 114.8 | H341 V343 I350 K355 F358 D359 | H341-F345 HydrophobicContact CB-CE2 4.46Å; H341-F345 WeakPolarHBondContact O-CD2 3.38Å; H341-F345 PolarHBondContact O-N 3.44Å; V343-F345 PolarHBondContact O-N 3.42Å; F345-I350 HydrophobicContact CD1-CD1 4.22Å; F345-I350 HydrophobicContact CE1-CD1 3.97Å; F345-K355 HydrophobicContact CB-CD 3.93Å; F345-K355 HydrophobicContact CB-CG 3.89Å; F345-K355 HydrophobicContact CD1-CB 4.21Å; F345-K355 HydrophobicContact CD1-CG 4.16Å; F345-K355 HydrophobicContact CG-CG 4.07Å; F345-K355 VanDerWaalsContact O-CE 3.27Å; F345-K355 WeakPolarHBondContact O-CE 3.26Å; F345-K355 PolarHBondContact O-NZ 3.23Å; F345-F358 HydrophobicContact CE1-CB 4.39Å; F345-F358 HydrophobicContact CE2-CB 3.67Å; F345-F358 HydrophobicContact CE2-CG 4.42Å; F345-F358 HydrophobicContact CZ-CB 3.43Å; F345-F358 VanDerWaalsContact CZ-CB 3.43Å; F345-F358 HydrophobicContact CZ-CD1 4.41Å; F345-F358 HydrophobicContact CZ-CD2 4.35Å; F345-F358 AromaticContact CZ-CG 3.84Å; F345-F358 HydrophobicContact CZ-CG 3.84Å; F345-D359 VanDerWaalsContact CD2-OD1 3.32Å; F345-D359 WeakPolarHBondContact CD2-OD1 3.32Å |
| 346 | I | 52.5 | Low | 55.6 | Low | 114 Ų | 114 | 70.1 Ų | 70.1 | 59% | 0.585 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.9 | 170.8 | -66.5 | 176.6 | 0 | 0 | 0 | 111 | Y342 V343 E348 | Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; V343-I346 WeakPolarHBondContact O-CB 3.47Å; V343-I346 PolarHBondContact O-N 3.13Å; V343-I346 VanDerWaalsContact O-N 3.14Å; I346-E348 PolarHBondContact O-N 2.95Å |
| 347 | D | 47.4 | Very low | 56.1 | Low | 110 Ų | 110 | 70.2 Ų | 70.2 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -74.9 | 121.5 | 175.6 | -162.3 | 59.5 | 0 | 0 | 0 | 110.8 | S349 | D347-S349 PolarHBondContact O-N 3.3Å; D347-S349 WeakPolarHBondContact OD2-CB 3.35Å; D347-S349 PolarHBondContact OD2-OG 3.26Å |
| 348 | E | 51.3 | Low | 56.4 | Low | 168 Ų | 168 | 74.7 Ų | 74.7 | 79% | 0.785 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 4.8 | -172.8 | -72.9 | -179.5 | 154.7 | 0 | 0 | 114.7 | I346 | I346-E348 PolarHBondContact O-N 2.95Š|
| 349 | S | 48.9 | Very low | 56.6 | Low | 93 Ų | 93 | 75.8 Ų | 75.8 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.3 | -168.5 | 63.9 | 0 | 0 | 0 | 0 | 115.2 | D347 | D347-S349 PolarHBondContact O-N 3.3Å; D347-S349 WeakPolarHBondContact OD2-CB 3.35Å; D347-S349 PolarHBondContact OD2-OG 3.26Å |
| 350 | I | 49.8 | Very low | 56.8 | Low | 77 Ų | 77 | 79.1 Ų | 79.1 | 40% | 0.395 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -107.3 | 130.8 | -179.3 | -57.5 | -173.5 | 0 | 0 | 0 | 110.3 | F345 E352 | F345-I350 HydrophobicContact CD1-CD1 4.22Å; F345-I350 HydrophobicContact CE1-CD1 3.97Å; I350-E352 PolarHBondContact O-N 2.86Å |
| 351 | T | 57.4 | Low | 57.1 | Low | 86 Ų | 86 | 78.9 Ų | 78.9 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | trans | -48.2 | 129.2 | 177.9 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | D353 Y354 K355 | T351-D353 PolarHBondContact O-N 3.34Å; T351-Y354 PolarHBondContact O-N 2.98Å; T351-K355 PolarHBondContact O-N 3Å | ||
| 352 | E | 57.3 | Low | 57.4 | Low | 136 Ų | 136 | 81.4 Ų | 81.4 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -51.1 | -33.7 | -173.1 | -60.6 | -173.7 | 159.2 | 0 | 0 | 113.5 | I350 Y354 K355 I356 | I350-E352 PolarHBondContact O-N 2.86Å; E352-Y354 PolarHBondContact O-N 3.43Å; E352-K355 PolarHBondContact O-N 2.91Å; E352-I356 WeakPolarHBondContact O-CG1 3.4Å; E352-I356 PolarHBondContact O-N 2.93Å; E352-I356 VanDerWaalsContact O-N 3.17Å |
| 353 | D | 55.9 | Low | 58 | Low | 82 Ų | 82 | 79.4 Ų | 79.4 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.8 | -66.5 | -34 | 0 | 0 | 0 | 113.5 | F126 T351 F357 | F126-D353 HydrophobicContact CE1-CB 4.23Å; F126-D353 HydrophobicContact CZ-CB 4.48Å; T351-D353 PolarHBondContact O-N 3.34Å; D353-F357 PolarHBondContact O-N 3.4Å |
| 354 | Y | 60.5 | Low | 59.1 | Low | 135 Ų | 135 | 77.4 Ų | 77.4 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 178.8 | -67.8 | -67.6 | 0 | 0 | 0 | 111.9 | T351 E352 F357 F358 | T351-Y354 PolarHBondContact O-N 2.98Å; E352-Y354 PolarHBondContact O-N 3.43Å; Y354-F357 PolarHBondContact O-N 2.88Å; Y354-F358 WeakPolarHBondContact O-CB 3.31Å; Y354-F358 PolarHBondContact O-N 2.83Å |
| 355 | K | 58.2 | Low | 60.3 | Low | 80 Ų | 80 | 76.6 Ų | 76.6 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 175.4 | 175 | 169.7 | 176.3 | 169.3 | 0 | 110.9 | F345 T351 E352 F357 F358 D359 | F345-K355 HydrophobicContact CB-CD 3.93Å; F345-K355 HydrophobicContact CB-CG 3.89Å; F345-K355 HydrophobicContact CD1-CB 4.21Å; F345-K355 HydrophobicContact CD1-CG 4.16Å; F345-K355 HydrophobicContact CG-CG 4.07Å; F345-K355 VanDerWaalsContact O-CE 3.27Å; F345-K355 WeakPolarHBondContact O-CE 3.26Å; F345-K355 PolarHBondContact O-NZ 3.23Å; T351-K355 PolarHBondContact O-N 3Å; E352-K355 PolarHBondContact O-N 2.91Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-F357 PolarHBondContact O-N 2.53Å; K355-F358 PolarHBondContact O-N 2.9Å; K355-D359 VanDerWaalsContact O-CB 3.29Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.94Å |
| 356 | I | 57.4 | Low | 61.7 | Low | 91 Ų | 91 | 76 Ų | 76 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.5 | -64.1 | 168.4 | 0 | 0 | 0 | 110.5 | E352 D359 L360 | E352-I356 WeakPolarHBondContact O-CG1 3.4Å; E352-I356 PolarHBondContact O-N 2.93Å; E352-I356 VanDerWaalsContact O-N 3.17Å; I356-D359 PolarHBondContact O-N 3.41Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CD2 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.16Å; I356-L360 VanDerWaalsContact O-CD1 3.26Å; I356-L360 WeakPolarHBondContact O-CD1 3.35Å; I356-L360 PolarHBondContact O-N 3.25Å |
| 357 | F | 62 | Low | 63.4 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 178.5 | 177 | -103.5 | 0 | 0 | 0 | 112.6 | F126 V130 L133 D353 Y354 K355 A361 | F126-F357 HydrophobicContact CZ-CB 4.18Å; V130-F357 HydrophobicContact CB-CD2 4.29Å; V130-F357 HydrophobicContact CG1-CD2 4.12Å; V130-F357 HydrophobicContact CG2-CD2 3.54Å; V130-F357 HydrophobicContact CG2-CE2 4.22Å; L133-F357 HydrophobicContact CD1-CE2 3.85Å; L133-F357 HydrophobicContact CD1-CZ 4.25Å; D353-F357 PolarHBondContact O-N 3.4Å; Y354-F357 PolarHBondContact O-N 2.88Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-F357 PolarHBondContact O-N 2.53Å; F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 2.04Å |
| 358 | F | 63.1 | Low | 65.3 | Low | 95 Ų | 95 | 67.4 Ų | 67.4 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 179.9 | -96 | -83.9 | 0 | 0 | 0 | 112.2 | F345 Y354 K355 L362 | F345-F358 HydrophobicContact CE1-CB 4.39Å; F345-F358 HydrophobicContact CE2-CB 3.67Å; F345-F358 HydrophobicContact CE2-CG 4.42Å; F345-F358 HydrophobicContact CZ-CB 3.43Å; F345-F358 VanDerWaalsContact CZ-CB 3.43Å; F345-F358 HydrophobicContact CZ-CD1 4.41Å; F345-F358 HydrophobicContact CZ-CD2 4.35Å; F345-F358 AromaticContact CZ-CG 3.84Å; F345-F358 HydrophobicContact CZ-CG 3.84Å; Y354-F358 WeakPolarHBondContact O-CB 3.31Å; Y354-F358 PolarHBondContact O-N 2.83Å; K355-F358 PolarHBondContact O-N 2.9Å; F358-L362 HydrophobicContact CD1-CD1 3.71Å; F358-L362 HydrophobicContact CD1-CG 4.03Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 VanDerWaalsContact O-CG 3.29Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.28Å |
| 359 | D | 62.6 | Low | 66.8 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 15% | 0.15 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.7 | -78.5 | -19.7 | 0 | 0 | 0 | 112.2 | H341 F345 K355 I356 G363 | H341-D359 IonicContact CD2-OD1 3.82Å; F345-D359 VanDerWaalsContact CD2-OD1 3.32Å; F345-D359 WeakPolarHBondContact CD2-OD1 3.32Å; K355-D359 VanDerWaalsContact O-CB 3.29Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.94Å; I356-D359 PolarHBondContact O-N 3.41Å; D359-G363 WeakPolarHBondContact O-CA 3.41Å; D359-G363 PolarHBondContact O-N 2.96Å; D359-G363 VanDerWaalsContact O-N 3.08Å |
| 360 | L | 64.2 | Low | 68.5 | Low | 72 Ų | 72 | 57.2 Ų | 57.2 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -74.4 | -43.6 | 178.6 | -86.1 | 68.7 | 0 | 0 | 0 | 111.5 | Y134 I356 S364 | Y134-L360 HydrophobicContact CD1-CD2 4.03Å; Y134-L360 HydrophobicContact CE1-CD2 4.48Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CD2 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.16Å; I356-L360 VanDerWaalsContact O-CD1 3.26Å; I356-L360 WeakPolarHBondContact O-CD1 3.35Å; I356-L360 PolarHBondContact O-N 3.25Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 2.81Å |
| 361 | A | 65.4 | Low | 70.3 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -53.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F357 G363 S364 F365 | F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 2.04Å; A361-G363 VanDerWaalsContact C-N 3.32Å; A361-G363 PolarHBondContact O-N 3.22Å; A361-S364 PolarHBondContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 2.7Å; A361-F365 WeakPolarHBondContact O-CD2 3.34Å; A361-F365 PolarHBondContact O-N 3.28Å |
| 362 | L | 67.3 | Low | 71.6 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 36% | 0.356 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.2 | -66.3 | 179.5 | 0 | 0 | 0 | 111.6 | H341 F358 S364 F365 Q366 | H341-L362 HydrophobicContact CB-CD1 4.05Å; F358-L362 HydrophobicContact CD1-CD1 3.71Å; F358-L362 HydrophobicContact CD1-CG 4.03Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 VanDerWaalsContact O-CG 3.29Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.28Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.88Å; L362-F365 PolarHBondContact O-N 3.08Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.28Å |
| 363 | G | 71.1 | Confident | 72.7 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D359 A361 Q366 | D359-G363 WeakPolarHBondContact O-CA 3.41Å; D359-G363 PolarHBondContact O-N 2.96Å; D359-G363 VanDerWaalsContact O-N 3.08Å; A361-G363 VanDerWaalsContact C-N 3.32Å; A361-G363 PolarHBondContact O-N 3.22Å; G363-Q366 WeakPolarHBondContact O-CB 3.45Å; G363-Q366 PolarHBondContact O-N 3.03Å |
| 364 | S | 78.7 | Confident | 73.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | G137 L360 A361 L362 | G137-S364 CarbonylContact C-O 3.47Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 2.81Å; A361-S364 PolarHBondContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 2.7Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.88Å |
| 365 | F | 81.8 | Confident | 74.9 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -87.7 | -11.8 | 178.2 | -66.1 | -70.1 | 0 | 0 | 0 | 113.7 | A361 L362 G367 L368 V369 | A361-F365 WeakPolarHBondContact O-CD2 3.34Å; A361-F365 PolarHBondContact O-N 3.28Å; L362-F365 PolarHBondContact O-N 3.08Å; F365-G367 VanDerWaalsContact C-N 3.32Å; F365-G367 PolarHBondContact O-N 3.12Å; F365-L368 HydrophobicContact CD1-CD2 4.19Å; F365-L368 WeakPolarHBondContact O-CB 3.4Å; F365-L368 PolarHBondContact O-N 3.29Å; F365-V369 PolarHBondContact O-N 3.34Å; F365-V369 VanDerWaalsContact O-N 3.08Å |
| 366 | Q | 83.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.2 | -50.4 | -178.5 | -170.6 | -178.4 | -11 | 0 | 0 | 111.1 | F173 L337 L362 G363 L368 V369 V370 | F173-Q366 HydrophobicContact CE1-CB 4.31Å; F173-Q366 HydrophobicContact CE1-CG 3.95Å; F173-Q366 HydrophobicContact CZ-CG 4.05Å; L337-Q366 HydrophobicContact CD1-CG 4.4Å; L337-Q366 PolarHBondContact O-NE2 3.08Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.28Å; G363-Q366 WeakPolarHBondContact O-CB 3.45Å; G363-Q366 PolarHBondContact O-N 3.03Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 2.89Å; Q366-V369 PolarHBondContact O-N 3.09Å; Q366-V369 VanDerWaalsContact O-N 3.16Å; Q366-V370 VanDerWaalsContact O-CG2 3.25Å; Q366-V370 WeakPolarHBondContact O-CG2 3.21Å; Q366-V370 PolarHBondContact O-N 3.29Å |
| 367 | G | 86.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -30.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S141 L145 F365 V370 A371 | S141-G367 WeakPolarHBondContact OG-CA 3.49Å; L145-G367 WeakPolarHBondContact CD2-O 3.42Å; F365-G367 VanDerWaalsContact C-N 3.32Å; F365-G367 PolarHBondContact O-N 3.12Å; G367-V370 WeakPolarHBondContact O-CB 3.13Å; G367-V370 PolarHBondContact O-N 3.48Å; G367-A371 WeakPolarHBondContact O-CB 3.11Å; G367-A371 PolarHBondContact O-N 3.4Å |
| 368 | L | 86.9 | Confident | 78 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 173.3 | 177 | 64.4 | 0 | 0 | 0 | 110.8 | S141 A144 F365 Q366 A371 I372 | S141-L368 PolarHBondContact OG-N 2.92Å; S141-L368 VanDerWaalsContact OG-N 3.13Å; A144-L368 HydrophobicContact CB-CD1 3.47Å; A144-L368 VanDerWaalsContact CB-CD1 3.47Å; F365-L368 HydrophobicContact CD1-CD2 4.19Å; F365-L368 WeakPolarHBondContact O-CB 3.4Å; F365-L368 PolarHBondContact O-N 3.29Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 2.89Å; L368-A371 PolarHBondContact O-N 2.87Å; L368-I372 HydrophobicContact CD1-CD1 4.03Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 3.97Å; L368-I372 VanDerWaalsContact O-CG1 3.32Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 2.88Å |
| 369 | V | 84.3 | Confident | 78.6 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 177 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | L337 F365 Q366 A371 I372 L373 | L337-V369 HydrophobicContact CD1-CB 4.47Å; L337-V369 HydrophobicContact CD1-CG1 4.24Å; F365-V369 PolarHBondContact O-N 3.34Å; F365-V369 VanDerWaalsContact O-N 3.08Å; Q366-V369 PolarHBondContact O-N 3.09Å; Q366-V369 VanDerWaalsContact O-N 3.16Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.45Å; V369-I372 PolarHBondContact O-N 3.32Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.27Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 2.98Å |
| 370 | V | 84.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.3 | -52.1 | 173.7 | 177 | 0 | 0 | 0 | 0 | 110.6 | L169 F170 F173 L337 Q366 G367 I372 L373 Y374 | L169-V370 HydrophobicContact CD2-CG1 4.18Å; F170-V370 HydrophobicContact CD1-CG1 3.78Å; F170-V370 HydrophobicContact CE1-CG1 3.47Å; F170-V370 VanDerWaalsContact CE1-CG1 3.47Å; F173-V370 HydrophobicContact CD2-CG2 4.3Å; F173-V370 HydrophobicContact CE2-CG1 4.48Å; F173-V370 HydrophobicContact CE2-CG2 3.7Å; F173-V370 HydrophobicContact CZ-CG2 3.92Å; L337-V370 HydrophobicContact CD1-CB 4.17Å; L337-V370 HydrophobicContact CD1-CG2 3.22Å; L337-V370 HydrophobicContact CD2-CG2 3.93Å; L337-V370 HydrophobicContact CG-CG2 3.66Å; Q366-V370 VanDerWaalsContact O-CG2 3.25Å; Q366-V370 WeakPolarHBondContact O-CG2 3.21Å; Q366-V370 PolarHBondContact O-N 3.29Å; G367-V370 WeakPolarHBondContact O-CB 3.13Å; G367-V370 PolarHBondContact O-N 3.48Å; V370-I372 PolarHBondContact O-N 3.2Å; V370-L373 PolarHBondContact O-N 2.95Å; V370-Y374 HydrophobicContact CG1-CD2 3.78Å; V370-Y374 HydrophobicContact CG1-CE2 4.26Å; V370-Y374 PolarHBondContact O-N 3.39Å |
| 371 | A | 87.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A144 L145 G367 L368 V369 C375 F376 | A144-A371 HydrophobicContact CB-CB 4.11Å; L145-A371 HydrophobicContact CD2-CB 3.94Å; L145-A371 HydrophobicContact CG-CB 4.26Å; G367-A371 WeakPolarHBondContact O-CB 3.11Å; G367-A371 PolarHBondContact O-N 3.4Å; L368-A371 PolarHBondContact O-N 2.87Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.45Å; A371-C375 WeakPolarHBondContact O-CA 3.31Å; A371-C375 VanDerWaalsContact O-CB 3.22Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 2.88Å; A371-F376 HydrophobicContact CB-CE2 4.35Å; A371-F376 PolarHBondContact O-N 2.9Å; A371-F376 VanDerWaalsContact O-N 3.16Å |
| 372 | I | 84.9 | Confident | 81.3 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -63.8 | -47.2 | 177.8 | -68.2 | 168.3 | 0 | 0 | 0 | 111.1 | L368 V369 V370 F376 L377 | L368-I372 HydrophobicContact CD1-CD1 4.03Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 3.97Å; L368-I372 VanDerWaalsContact O-CG1 3.32Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 2.88Å; V369-I372 PolarHBondContact O-N 3.32Å; V370-I372 PolarHBondContact O-N 3.2Å; I372-F376 HydrophobicContact CG1-CD2 4.07Å; I372-F376 PolarHBondContact O-N 3.37Å; I372-L377 HydrophobicContact CG2-CD1 3.71Å; I372-L377 HydrophobicContact CG2-CG 3.88Å; I372-L377 WeakPolarHBondContact O-CB 3.49Å; I372-L377 WeakPolarHBondContact O-CG 3.4Å; I372-L377 PolarHBondContact O-N 2.78Å |
| 373 | L | 80.1 | Confident | 82 | Confident | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -70.5 | -52 | -176.2 | -65.8 | 176.6 | 0 | 0 | 0 | 112.4 | L333 L334 V369 V370 L377 | L333-L373 HydrophobicContact CB-CD1 4.07Å; L333-L373 HydrophobicContact CB-CD2 4.41Å; L333-L373 HydrophobicContact CD1-CD2 4.44Å; L334-L373 HydrophobicContact CD1-CD1 3.85Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.27Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 2.98Å; V370-L373 PolarHBondContact O-N 2.95Å; L373-L377 HydrophobicContact CD2-CD1 4.2Å |
| 374 | Y | 78.8 | Confident | 82.7 | Confident | 40 Ų | 40 | 39 Ų | 39 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -84 | -25 | -172 | -70.5 | -59.4 | 0 | 0 | 0 | 114.2 | H166 F170 E224 L334 L337 V370 N378 | H166-Y374 AromaticContact CE1-CD1 3.63Å; H166-Y374 AromaticContact CE1-CE1 3.51Å; H166-Y374 AromaticContact CE1-CZ 3.97Å; H166-Y374 AromaticContact ND1-CD1 3.98Å; F170-Y374 HydrophobicContact CE1-CD2 4.4Å; E224-Y374 VanDerWaalsContact CD-OH 3.28Å; E224-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E224-Y374 WeakPolarHBondContact OE1-CE2 3.42Å; E224-Y374 PolarHBondContact OE1-OH 3.07Å; E224-Y374 VanDerWaalsContact OE1-OH 3.06Å; E224-Y374 PolarHBondContact OE2-OH 2.88Å; L334-Y374 HydrophobicContact CD1-CE2 4.35Å; L337-Y374 HydrophobicContact CD2-CE2 3.87Å; V370-Y374 HydrophobicContact CG1-CD2 3.78Å; V370-Y374 HydrophobicContact CG1-CE2 4.26Å; V370-Y374 PolarHBondContact O-N 3.39Å; Y374-N378 VanDerWaalsContact O-CB 3.3Å; Y374-N378 WeakPolarHBondContact O-CB 3.47Å; Y374-N378 PolarHBondContact O-ND2 2.94Å |
| 375 | C | 84.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -109.2 | -62.3 | -179.8 | -170.6 | 0 | 0 | 0 | 0 | 112.6 | G148 F170 A371 N378 V381 | G148-C375 VanDerWaalsContact CA-SG 3.54Å; F170-C375 HydrophobicContact CE2-CB 4.17Å; F170-C375 HydrophobicContact CZ-CB 4.32Å; A371-C375 WeakPolarHBondContact O-CA 3.31Å; A371-C375 VanDerWaalsContact O-CB 3.22Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 2.88Å; C375-N378 PolarHBondContact O-N 3.48Å; C375-V381 WeakPolarHBondContact O-CB 3.47Å; C375-V381 WeakPolarHBondContact O-CG1 2.98Å |
| 376 | F | 82.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 31% | 0.311 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -74.2 | -34.9 | -168.8 | -62.5 | -57 | 0 | 0 | 0 | 114.4 | A144 T147 I151 A371 I372 Q382 | A144-F376 HydrophobicContact CB-CE2 4.31Å; T147-F376 HydrophobicContact CG2-CE1 4.4Å; T147-F376 HydrophobicContact CG2-CZ 4.26Å; I151-F376 HydrophobicContact CD1-CE1 4.06Å; A371-F376 HydrophobicContact CB-CE2 4.35Å; A371-F376 PolarHBondContact O-N 2.9Å; A371-F376 VanDerWaalsContact O-N 3.16Å; I372-F376 HydrophobicContact CG1-CD2 4.07Å; I372-F376 PolarHBondContact O-N 3.37Å; F376-Q382 WeakPolarHBondContact O-CG 3.31Å; F376-Q382 PolarHBondContact O-NE2 3.36Å |
| 377 | L | 79.3 | Confident | 83.1 | Confident | 103 Ų | 103 | 50.4 Ų | 50.4 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -90.9 | -3.6 | 177.8 | -66.2 | -179.5 | 0 | 0 | 0 | 113.4 | I372 L373 S379 | I372-L377 HydrophobicContact CG2-CD1 3.71Å; I372-L377 HydrophobicContact CG2-CG 3.88Å; I372-L377 WeakPolarHBondContact O-CB 3.49Å; I372-L377 WeakPolarHBondContact O-CG 3.4Å; I372-L377 PolarHBondContact O-N 2.78Å; L373-L377 HydrophobicContact CD2-CD1 4.2Å; L377-S379 PolarHBondContact O-N 3.1Å |
| 378 | N | 81 | Confident | 82.9 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | trans | -70.6 | 120.4 | 178.6 | -172.2 | -23.9 | 0 | 0 | 0 | 110.2 | Y374 C375 E380 V381 Q382 | Y374-N378 VanDerWaalsContact O-CB 3.3Å; Y374-N378 WeakPolarHBondContact O-CB 3.47Å; Y374-N378 PolarHBondContact O-ND2 2.94Å; C375-N378 PolarHBondContact O-N 3.48Å; N378-E380 PolarHBondContact O-N 3.12Å; N378-E380 WeakPolarHBondContact OD1-CB 3.31Å; N378-E380 PolarHBondContact OD1-N 2.96Å; N378-E380 VanDerWaalsContact OD1-N 3.07Å; N378-V381 HydrophobicContact CB-CB 4.19Å; N378-V381 HydrophobicContact CB-CG2 3.82Å; N378-V381 PolarHBondContact O-N 3.45Å; N378-V381 VanDerWaalsContact O-N 3.15Å; N378-Q382 WeakPolarHBondContact O-CG 3.36Å; N378-Q382 PolarHBondContact O-N 3.32Å | ||
| 379 | S | 75.8 | Confident | 82.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | -176.8 | 54.3 | 0 | 0 | 0 | 0 | 113 | L377 G383 | L377-S379 PolarHBondContact O-N 3.1Å; S379-G383 PolarHBondContact O-N 3.29Å |
| 380 | E | 81.7 | Confident | 82.9 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 174.2 | -65.7 | 172.5 | -154.4 | 0 | 0 | 110.5 | L158 R162 N378 G383 E384 | L158-E380 HydrophobicContact CD2-CB 4.32Å; R162-E380 IonicContact CZ-OE1 3.82Å; R162-E380 IonicContact NH1-OE1 3.95Å; R162-E380 IonicContact NH2-OE1 2.79Å; R162-E380 PolarHBondContact NH2-OE1 3.37Å; R162-E380 IonicContact NH2-OE2 2.97Å; R162-E380 PolarHBondContact NH2-OE2 2.88Å; N378-E380 PolarHBondContact O-N 3.12Å; N378-E380 WeakPolarHBondContact OD1-CB 3.31Å; N378-E380 PolarHBondContact OD1-N 2.96Å; N378-E380 VanDerWaalsContact OD1-N 3.07Å; E380-G383 PolarHBondContact O-N 3.17Å; E380-E384 PolarHBondContact O-N 3.26Å |
| 381 | V | 82.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | I151 L152 L158 C375 N378 G383 E384 L385 | I151-V381 HydrophobicContact CG2-CG1 3.75Å; L152-V381 HydrophobicContact CD2-CG2 4.25Å; L158-V381 HydrophobicContact CD1-CG2 4.04Å; C375-V381 WeakPolarHBondContact O-CB 3.47Å; C375-V381 WeakPolarHBondContact O-CG1 2.98Å; N378-V381 HydrophobicContact CB-CB 4.19Å; N378-V381 HydrophobicContact CB-CG2 3.82Å; N378-V381 PolarHBondContact O-N 3.45Å; N378-V381 VanDerWaalsContact O-N 3.15Å; V381-G383 VanDerWaalsContact C-N 3.26Å; V381-G383 PolarHBondContact O-N 3.08Å; V381-E384 PolarHBondContact O-N 3.04Å; V381-L385 HydrophobicContact CG1-CD1 4Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 WeakPolarHBondContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.02Å; V381-L385 PolarHBondContact O-N 3.08Å |
| 382 | Q | 83.4 | Confident | 82.5 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 175 | -70.3 | -176.2 | -1.6 | 0 | 0 | 111.8 | F376 N378 K386 | F376-Q382 WeakPolarHBondContact O-CG 3.31Å; F376-Q382 PolarHBondContact O-NE2 3.36Å; N378-Q382 WeakPolarHBondContact O-CG 3.36Å; N378-Q382 PolarHBondContact O-N 3.32Å; Q382-K386 WeakPolarHBondContact O-CB 2.98Å; Q382-K386 PolarHBondContact O-N 3.02Å |
| 383 | G | 81.9 | Confident | 82.4 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S379 E380 V381 K386 R387 | S379-G383 PolarHBondContact O-N 3.29Å; E380-G383 PolarHBondContact O-N 3.17Å; V381-G383 VanDerWaalsContact C-N 3.26Å; V381-G383 PolarHBondContact O-N 3.08Å; G383-K386 PolarHBondContact O-N 3.18Å; G383-R387 VanDerWaalsContact O-CG 3.3Å; G383-R387 WeakPolarHBondContact O-CG 3.19Å; G383-R387 PolarHBondContact O-N 3.3Å |
| 384 | E | 85.5 | Confident | 82.1 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 178 | -66.3 | -61.5 | 168.9 | 0 | 0 | 112.3 | L158 E380 V381 K386 R387 K388 | L158-E384 HydrophobicContact CD2-CG 3.94Å; L158-E384 HydrophobicContact CG-CG 4.27Å; E380-E384 PolarHBondContact O-N 3.26Å; V381-E384 PolarHBondContact O-N 3.04Å; E384-K386 VanDerWaalsContact C-N 3.35Å; E384-K386 PolarHBondContact O-N 3.39Å; E384-R387 PolarHBondContact O-N 3.41Å; E384-R387 IonicContact OE1-CZ 2.62Å; E384-R387 IonicContact OE1-NH1 3.02Å; E384-R387 PolarHBondContact OE1-NH1 3.26Å; E384-R387 IonicContact OE1-NH2 3.73Å; E384-R387 IonicContact OE2-CZ 2.66Å; E384-R387 IonicContact OE2-NH1 3.58Å; E384-R387 PolarHBondContact OE2-NH1 3.46Å; E384-K388 WeakPolarHBondContact O-CB 3.44Å; E384-K388 PolarHBondContact O-N 3.46Å |
| 385 | L | 83.6 | Confident | 81.8 | Confident | 69 Ų | 69 | 83 Ų | 83 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.4 | -79.9 | 169.1 | 0 | 0 | 0 | 111.1 | F155 V381 R387 K388 W389 | F155-L385 HydrophobicContact CE2-CD2 4Å; F155-L385 HydrophobicContact CZ-CD2 4.05Å; V381-L385 HydrophobicContact CG1-CD1 4Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 WeakPolarHBondContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.02Å; V381-L385 PolarHBondContact O-N 3.08Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.36Å; L385-K388 PolarHBondContact O-N 2.91Å; L385-W389 VanDerWaalsContact O-CB 3.26Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 2.9Å |
| 386 | K | 85.6 | Confident | 81.2 | Confident | 123 Ų | 123 | 86.8 Ų | 86.8 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 177.8 | -171.6 | 175 | -173.3 | 177.2 | 0 | 112 | Q382 G383 E384 R390 | Q382-K386 WeakPolarHBondContact O-CB 2.98Å; Q382-K386 PolarHBondContact O-N 3.02Å; G383-K386 PolarHBondContact O-N 3.18Å; E384-K386 VanDerWaalsContact C-N 3.35Å; E384-K386 PolarHBondContact O-N 3.39Å; K386-R390 VanDerWaalsContact CE-NH2 3.33Å; K386-R390 WeakPolarHBondContact O-CB 3.36Å; K386-R390 VanDerWaalsContact O-CG 3.25Å; K386-R390 WeakPolarHBondContact O-CG 3.42Å; K386-R390 PolarHBondContact O-N 3.1Å |
| 387 | R | 84.6 | Confident | 80.5 | Confident | 128 Ų | 128 | 89.6 Ų | 89.6 | 48% | 0.483 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.1 | -74 | -178.2 | -137.5 | 150.4 | -0.3 | 111.6 | G383 E384 L385 R390 S391 | G383-R387 VanDerWaalsContact O-CG 3.3Å; G383-R387 WeakPolarHBondContact O-CG 3.19Å; G383-R387 PolarHBondContact O-N 3.3Å; E384-R387 PolarHBondContact O-N 3.41Å; E384-R387 IonicContact OE1-CZ 2.62Å; E384-R387 IonicContact OE1-NH1 3.02Å; E384-R387 PolarHBondContact OE1-NH1 3.26Å; E384-R387 IonicContact OE1-NH2 3.73Å; E384-R387 IonicContact OE2-CZ 2.66Å; E384-R387 IonicContact OE2-NH1 3.58Å; E384-R387 PolarHBondContact OE2-NH1 3.46Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.36Å; R387-R390 PolarHBondContact O-N 3.06Å; R387-S391 WeakPolarHBondContact O-CB 3.41Å; R387-S391 PolarHBondContact O-N 2.9Å |
| 388 | K | 83.3 | Confident | 79.9 | Confident | 131 Ų | 131 | 89.4 Ų | 89.4 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 177.5 | -166.1 | 70.3 | 174.8 | -174.7 | 0 | 111.3 | F155 E384 L385 S391 M392 | F155-K388 HydrophobicContact CE1-CB 4.17Å; F155-K388 HydrophobicContact CE1-CG 4.2Å; E384-K388 WeakPolarHBondContact O-CB 3.44Å; E384-K388 PolarHBondContact O-N 3.46Å; L385-K388 PolarHBondContact O-N 2.91Å; K388-S391 PolarHBondContact O-N 2.93Å; K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 PolarHBondContact O-N 2.91Å |
| 389 | W | 85.4 | Confident | 79.2 | Confident | 176 Ų | 176 | 91.2 Ų | 91.2 | 67% | 0.667 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.4 | -46 | 174.4 | -174 | -87.9 | 0 | 0 | 0 | 112 | L385 M392 C393 | L385-W389 VanDerWaalsContact O-CB 3.26Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 2.9Å; W389-M392 HydrophobicContact CE3-CE 3.97Å; W389-M392 HydrophobicContact CZ3-CE 4.09Å; W389-M392 PolarHBondContact O-N 3.46Å; W389-C393 WeakPolarHBondContact O-CB 3.33Å; W389-C393 PolarHBondContact O-N 2.76Å |
| 390 | R | 85.1 | Confident | 78.7 | Confident | 158 Ų | 158 | 96.2 Ų | 96.2 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.4 | -77 | 173.9 | 176.8 | -171.1 | -4.4 | 112 | K386 R387 C393 L394 | K386-R390 VanDerWaalsContact CE-NH2 3.33Å; K386-R390 WeakPolarHBondContact O-CB 3.36Å; K386-R390 VanDerWaalsContact O-CG 3.25Å; K386-R390 WeakPolarHBondContact O-CG 3.42Å; K386-R390 PolarHBondContact O-N 3.1Å; R387-R390 PolarHBondContact O-N 3.06Å; R390-C393 PolarHBondContact O-N 3.22Å; R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 PolarHBondContact O-N 2.93Å |
| 391 | S | 82.9 | Confident | 77.7 | Confident | 61 Ų | 61 | 95.2 Ų | 95.2 | 43% | 0.427 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | R387 K388 N395 | R387-S391 WeakPolarHBondContact O-CB 3.41Å; R387-S391 PolarHBondContact O-N 2.9Å; K388-S391 PolarHBondContact O-N 2.93Å; S391-N395 WeakPolarHBondContact O-CB 3.4Å; S391-N395 PolarHBondContact O-N 2.02Å |
| 392 | M | 80.9 | Confident | 76.5 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 177 | -171.9 | 174 | 70.5 | 0 | 0 | 112 | K388 W389 L394 N395 C396 | K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 PolarHBondContact O-N 2.91Å; W389-M392 HydrophobicContact CE3-CE 3.97Å; W389-M392 HydrophobicContact CZ3-CE 4.09Å; W389-M392 PolarHBondContact O-N 3.46Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 2.76Å; M392-N395 PolarHBondContact O-N 2.86Å; M392-C396 WeakPolarHBondContact O-CB 3.36Å; M392-C396 PolarHBondContact O-N 3.26Å; M392-C396 PolarHBondContact O-SG 3.08Å; M392-C396 VanDerWaalsContact O-SG 3.37Å |
| 393 | C | 81.9 | Confident | 75.3 | Confident | 55 Ų | 55 | 103.8 Ų | 103.8 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | W389 R390 N395 C396 H397 | W389-C393 WeakPolarHBondContact O-CB 3.33Å; W389-C393 PolarHBondContact O-N 2.76Å; R390-C393 PolarHBondContact O-N 3.22Å; C393-N395 PolarHBondContact O-N 2.9Å; C393-C396 PolarHBondContact O-N 2.85Å; C393-H397 PolarHBondContact O-CD2 2.86Å; C393-H397 VanDerWaalsContact O-CD2 3.28Å; C393-H397 PolarHBondContact O-N 3.27Å |
| 394 | L | 73.6 | Confident | 74.2 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176.1 | -162.4 | 75.5 | 0 | 0 | 0 | 111.8 | R390 M392 H397 L398 | R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 PolarHBondContact O-N 2.93Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 2.76Å; L394-H397 PolarHBondContact O-N 2.72Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 PolarHBondContact O-N 3.41Å |
| 395 | N | 73.3 | Confident | 72.8 | Confident | 98 Ų | 98 | 111.9 Ų | 111.9 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 175.1 | -88.1 | -2.1 | 0 | 0 | 0 | 113 | S391 M392 C393 L398 S399 | S391-N395 WeakPolarHBondContact O-CB 3.4Å; S391-N395 PolarHBondContact O-N 2.02Å; M392-N395 PolarHBondContact O-N 2.86Å; C393-N395 PolarHBondContact O-N 2.9Å; N395-L398 PolarHBondContact O-N 3.13Å; N395-S399 VanDerWaalsContact O-CB 3.27Å; N395-S399 WeakPolarHBondContact O-CB 3.26Å; N395-S399 PolarHBondContact O-N 3.48Å |
| 396 | C | 71.1 | Confident | 71.5 | Confident | 79 Ų | 79 | 114.1 Ų | 114.1 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 174.2 | -76.7 | 0 | 0 | 0 | 0 | 111.3 | M392 C393 S399 R400 | M392-C396 WeakPolarHBondContact O-CB 3.36Å; M392-C396 PolarHBondContact O-N 3.26Å; M392-C396 PolarHBondContact O-SG 3.08Å; M392-C396 VanDerWaalsContact O-SG 3.37Å; C393-C396 PolarHBondContact O-N 2.85Å; C396-S399 PolarHBondContact O-N 2.83Å; C396-R400 WeakPolarHBondContact O-CB 2.99Å; C396-R400 PolarHBondContact O-N 2.93Å |
| 397 | H | 68 | Low | 69.9 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 61% | 0.606 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62 | -44.9 | 173.8 | -88.2 | -84 | 0 | 0 | 0 | 112 | C393 L394 S399 R400 A401 | C393-H397 PolarHBondContact O-CD2 2.86Å; C393-H397 VanDerWaalsContact O-CD2 3.28Å; C393-H397 PolarHBondContact O-N 3.27Å; L394-H397 PolarHBondContact O-N 2.72Å; H397-S399 PolarHBondContact O-N 2.92Å; H397-R400 PolarHBondContact O-N 3.17Å; H397-A401 WeakPolarHBondContact O-CB 3.05Å; H397-A401 PolarHBondContact O-N 3.24Å |
| 398 | L | 65.8 | Low | 68.4 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -35.2 | 177.6 | -157.3 | 89.8 | 0 | 0 | 0 | 112.5 | L394 N395 R402 | L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 PolarHBondContact O-N 3.41Å; N395-L398 PolarHBondContact O-N 3.13Å; L398-R402 WeakPolarHBondContact O-CG 3.33Å; L398-R402 PolarHBondContact O-N 2.62Å; L398-R402 PolarHBondContact O-NE 2.97Å |
| 399 | S | 66.7 | Low | 66.9 | Low | 67 Ų | 67 | 110.3 Ų | 110.3 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -41.5 | 174.3 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | N395 C396 H397 R402 H403 | N395-S399 VanDerWaalsContact O-CB 3.27Å; N395-S399 WeakPolarHBondContact O-CB 3.26Å; N395-S399 PolarHBondContact O-N 3.48Å; C396-S399 PolarHBondContact O-N 2.83Å; H397-S399 PolarHBondContact O-N 2.92Å; S399-R402 PolarHBondContact O-N 3.15Å; S399-H403 PolarHBondContact O-N 2.81Å |
| 400 | R | 65 | Low | 65.2 | Low | 197 Ų | 197 | 106.9 Ų | 106.9 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -37.9 | 176.6 | -162.6 | 172.4 | -173.2 | 174 | 1.5 | 112 | C396 H397 H403 F404 | C396-R400 WeakPolarHBondContact O-CB 2.99Å; C396-R400 PolarHBondContact O-N 2.93Å; H397-R400 PolarHBondContact O-N 3.17Å; R400-H403 PolarHBondContact O-N 2.76Å; R400-F404 PolarHBondContact O-N 2.84Å |
| 401 | A | 61.5 | Low | 63.5 | Low | 60 Ų | 60 | 109.7 Ų | 109.7 | 50% | 0.496 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H397 H403 F404 S405 | H397-A401 WeakPolarHBondContact O-CB 3.05Å; H397-A401 PolarHBondContact O-N 3.24Å; A401-H403 VanDerWaalsContact C-N 3.34Å; A401-H403 PolarHBondContact O-N 2.04Å; A401-F404 PolarHBondContact O-N 3.17Å; A401-S405 WeakPolarHBondContact O-CB 3.4Å; A401-S405 PolarHBondContact O-N 2.92Å |
| 402 | R | 56.3 | Low | 61.7 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.7 | -39.6 | 173.7 | -80.7 | -176.8 | -72.7 | 171.1 | -2.1 | 112.6 | L398 S399 F404 S405 N406 | L398-R402 WeakPolarHBondContact O-CG 3.33Å; L398-R402 PolarHBondContact O-N 2.62Å; L398-R402 PolarHBondContact O-NE 2.97Å; S399-R402 PolarHBondContact O-N 3.15Å; R402-F404 VanDerWaalsContact C-N 3.35Å; R402-F404 PolarHBondContact O-N 3.1Å; R402-S405 PolarHBondContact O-N 3.03Å; R402-N406 PolarHBondContact O-N 2.92Å |
| 403 | H | 59.2 | Low | 59.9 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.4 | -34.5 | 176.8 | -161.5 | -65.7 | 0 | 0 | 0 | 112.6 | S399 R400 A401 N407 | S399-H403 PolarHBondContact O-N 2.81Å; R400-H403 PolarHBondContact O-N 2.76Å; A401-H403 VanDerWaalsContact C-N 3.34Å; A401-H403 PolarHBondContact O-N 2.04Å; H403-N407 PolarHBondContact O-N 2.83Å |
| 404 | F | 58.4 | Low | 58.1 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.9 | -39.1 | 176 | -137.4 | -91.1 | 0 | 0 | 0 | 112.1 | R400 A401 R402 N407 F408 | R400-F404 PolarHBondContact O-N 2.84Å; A401-F404 PolarHBondContact O-N 3.17Å; R402-F404 VanDerWaalsContact C-N 3.35Å; R402-F404 PolarHBondContact O-N 3.1Å; F404-N407 PolarHBondContact O-N 3.22Å; F404-F408 PolarHBondContact O-N 2.89Å |
| 405 | S | 57.1 | Low | 56.8 | Low | 77 Ų | 77 | 115.9 Ų | 115.9 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -39.2 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | A401 R402 F408 A409 | A401-S405 WeakPolarHBondContact O-CB 3.4Å; A401-S405 PolarHBondContact O-N 2.92Å; R402-S405 PolarHBondContact O-N 3.03Å; S405-F408 PolarHBondContact O-N 3.19Å; S405-A409 WeakPolarHBondContact O-CB 3.5Å; S405-A409 PolarHBondContact O-N 3.33Å |
| 406 | N | 54.8 | Low | 55 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 62% | 0.62 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -36.4 | 174.3 | -79.9 | 1.2 | 0 | 0 | 0 | 112.9 | R402 F408 S410 | R402-N406 PolarHBondContact O-N 2.92Å; N406-F408 VanDerWaalsContact C-N 3.34Å; N406-S410 WeakPolarHBondContact O-CB 3.38Å; N406-S410 PolarHBondContact O-N 2.9Å; N406-S410 VanDerWaalsContact O-N 3.09Å |
| 407 | N | 53.2 | Low | 53.3 | Low | 102 Ų | 102 | 125.4 Ų | 125.4 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.5 | -28.3 | 175.1 | -87.7 | 1.2 | 0 | 0 | 0 | 113.2 | H403 F404 | H403-N407 PolarHBondContact O-N 2.83Å; F404-N407 PolarHBondContact O-N 3.22Å |
| 408 | F | 52.7 | Low | 51.7 | Low | 132 Ų | 132 | 126.8 Ų | 126.8 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81 | -38.7 | 175.3 | -127.4 | -90.9 | 0 | 0 | 0 | 112 | F404 S405 N406 S410 R411 N412 | F404-F408 PolarHBondContact O-N 2.89Å; S405-F408 PolarHBondContact O-N 3.19Å; N406-F408 VanDerWaalsContact C-N 3.34Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 2.88Å; F408-R411 PolarHBondContact O-N 3.09Å; F408-R411 VanDerWaalsContact O-N 3.1Å; F408-N412 PolarHBondContact O-N 2.72Å |
| 409 | A | 52.2 | Low | 50.3 | Low | 68 Ų | 68 | 129.8 Ų | 129.8 | 56% | 0.562 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.7 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S405 R411 | S405-A409 WeakPolarHBondContact O-CB 3.5Å; S405-A409 PolarHBondContact O-N 3.33Å; A409-R411 VanDerWaalsContact C-N 3.25Å; A409-R411 PolarHBondContact O-N 3.5Å |
| 410 | S | 49.4 | Very low | 48.5 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -13.8 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 113.9 | N406 F408 | N406-S410 WeakPolarHBondContact O-CB 3.38Å; N406-S410 PolarHBondContact O-N 2.9Å; N406-S410 VanDerWaalsContact O-N 3.09Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 2.88Å |
| 411 | R | 48.6 | Very low | 46.9 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -13 | -172.9 | -162.6 | 162.7 | 156.5 | 173.5 | -7 | 114.1 | F408 A409 | F408-R411 PolarHBondContact O-N 3.09Å; F408-R411 VanDerWaalsContact O-N 3.1Å; A409-R411 VanDerWaalsContact C-N 3.25Å; A409-R411 PolarHBondContact O-N 3.5Å |
| 412 | N | 45.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -115.2 | 20.4 | 174 | -77.8 | 8.4 | 0 | 0 | 0 | 113.1 | F408 S414 | F408-N412 PolarHBondContact O-N 2.72Å; N412-S414 PolarHBondContact O-N 3.39Å; N412-S414 VanDerWaalsContact O-N 3.12Å |
| 413 | G | 43.8 | Very low | 44.1 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -80.1 | 29 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 414 | S | 44.4 | Very low | 43 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -136.2 | 119.7 | 165.4 | 55.9 | 0 | 0 | 0 | 0 | 107.6 | N412 | N412-S414 PolarHBondContact O-N 3.39Å; N412-S414 VanDerWaalsContact O-N 3.12Å |
| 415 | E | 46.1 | Very low | 41.7 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 85.7 | 81.5 | -178.4 | -50.2 | -161.4 | 154.1 | 0 | 0 | 116.3 | ||
| 416 | Q | 34.5 | Very low | 40.8 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 173 | 101.2 | 104.5 | -89.6 | 178.2 | 5.5 | 0 | 0 | 108.9 | |||||
| 417 | M | 35.9 | Very low | 39.7 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | trans | -76.9 | 115.5 | 161.6 | -179 | 159.6 | 89.9 | 0 | 0 | 107.2 | ||||
| 418 | M | 33.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -179 | 113.2 | 145.2 | -90.6 | -102.4 | -145.4 | 0 | 0 | 110.9 | ||||
| 419 | Q | 37.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 75.7 | 98.9 | 130 | -142 | 160.7 | 7.9 | 0 | 0 | 118.3 | ||||
| 420 | F | 28 | Very low | 36.7 | Very low | 211 Ų | 211 | 154.9 Ų | 154.9 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -160.3 | 120.1 | 119.1 | -128.1 | -96.4 | 0 | 0 | 0 | 111.4 | |||||
| 421 | Q | 32.6 | Very low | 36 | Very low | 180 Ų | 180 | 158 Ų | 158 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -95.4 | 161 | 175 | -166.2 | 176.6 | -14.4 | 0 | 0 | 108.8 | ||||
| 422 | R | 31.1 | Very low | 35.1 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | 87.4 | 130.6 | 171.5 | -118 | 169.6 | -176.1 | 162.8 | 0.9 | 114.6 | ||||
| 423 | S | 26.7 | Very low | 34.5 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -157.2 | 136.9 | 23.6 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 424 | S | 37.3 | Very low | 34 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -59 | 140.2 | 157.4 | -89.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 425 | R | 29.6 | Very low | 33.4 | Very low | 233 Ų | 233 | 158.6 Ų | 158.6 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -164.4 | 113.3 | 133.4 | -124.6 | 176.2 | 180 | 165 | -0.6 | 110.8 | ||||
| 426 | A | 39.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 150.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 427 | Q | 32.2 | Very low | 32.5 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -143.5 | 126.4 | 159.6 | -113.2 | 172.9 | -11.3 | 0 | 0 | 110.8 | ||||
| 428 | S | 29.9 | Very low | 32.3 | Very low | 96 Ų | 96 | 157.2 Ų | 157.2 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | trans | -117.4 | 148.9 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 429 | I | 33.2 | Very low | 32.2 | Very low | 149 Ų | 149 | 157 Ų | 157 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | 86.5 | 129.1 | 142.2 | -68 | 160.2 | 0 | 0 | 0 | 120.2 | ||||
| 430 | L | 30.9 | Very low | 31.9 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | 72.7 | 105 | 149.9 | -111.8 | 65.1 | 0 | 0 | 0 | 124 | ||||
| 431 | Q | 34.5 | Very low | 32.2 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | 32.4 | 118.3 | 106 | -141.7 | 174.1 | -3.8 | 0 | 0 | 122 | |||||
| 432 | S | 30.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | 160 | 112.6 | 134.3 | -79.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 433 | E | 33.1 | Very low | 32.2 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 73.2 | 138.4 | 94.5 | -99.4 | -166.5 | 163.9 | 0 | 0 | 116.5 | |||||
| 434 | T | 33.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | trans | 83.7 | 104.8 | 155 | 45.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 435 | T | 30.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | 80.8 | 135.8 | 117.2 | 62.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 436 | V | 31.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | 69.6 | 107.1 | 153.5 | -139.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 437 | L | 30.2 | Very low | 31.8 | Very low | 242 Ų | 242 | 149.1 Ų | 149.1 | 100% | 1.267 | 81% | 0.813 | S | S | * | * | -163.6 | 0 | 106.1 | -110.9 | 154.4 | 0 | 0 | 0 | 111.1 |
Retrieved 437 of 437 residues in 133.1 ms
(Link to these results)