| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33 | Very low | 32.5 | Very low | 235 Ų | 235 | 154.1 Ų | 154.1 | 100% | 1.158 | 86% | 0.858 | S | S | * | * | 0 | 111.4 | 0 | -100.5 | 167.7 | 169 | 0 | 0 | 108.7 | F3 | M1-F3 PolarHBondContact O-N 3.46Š| |||
| 2 | K | 29.7 | Very low | 34.1 | Very low | 216 Ų | 216 | 153.9 Ų | 153.9 | 94% | 0.939 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 116.5 | 173.8 | -78.8 | 174.1 | 173.7 | 176.4 | 0 | 107.9 | ||
| 3 | F | 27.6 | Very low | 36.7 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 82% | 0.82 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 131.8 | 166.4 | -83.6 | -89.2 | 0 | 0 | 0 | 108.5 | M1 L5 | M1-F3 PolarHBondContact O-N 3.46Å; F3-L5 PolarHBondContact O-N 3.1Å |
| 4 | P | 30.8 | Very low | 40.1 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.4 | -179.5 | 28.7 | -30.5 | 0 | 0 | 0 | 109.2 | ||
| 5 | L | 35.8 | Very low | 43.2 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 135.3 | 159.2 | -82.8 | 150.7 | 0 | 0 | 0 | 107.6 | F3 | F3-L5 PolarHBondContact O-N 3.1Š|
| 6 | N | 35.3 | Very low | 46.3 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | 90.8 | 86.9 | 171.8 | -54.8 | -17.3 | 0 | 0 | 0 | 116.8 | ||||
| 7 | A | 30.7 | Very low | 49 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | S | Bend | -169.2 | 112.1 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||
| 8 | G | 29.6 | Very low | 51.3 | Low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 110 | 56 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 9 | M | 32.2 | Very low | 53.5 | Low | 158 Ų | 158 | 119.3 Ų | 119.3 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | trans | -148.7 | 76.6 | 153 | -72.5 | -168 | 78.5 | 0 | 0 | 109.4 | K11 | M9-K11 HydrophobicContact CE-CG 4.08Å; M9-K11 PolarHBondContact O-N 3.29Å | ||
| 10 | A | 32.3 | Very low | 55.4 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 83% | 0.826 | 66% | 0.657 | S | S | * | * | trans | -64.4 | 91.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | D12 | A10-D12 PolarHBondContact O-N 3.12Å; A10-D12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | K | 40.8 | Very low | 57.2 | Low | 172 Ų | 172 | 115.6 Ų | 115.6 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | trans | -58 | 116.6 | 163.7 | -91.6 | -176.5 | 172.8 | -178.6 | 0 | 104.8 | M9 A13 | M9-K11 HydrophobicContact CE-CG 4.08Å; M9-K11 PolarHBondContact O-N 3.29Å; K11-A13 PolarHBondContact O-N 3.3Å | ||
| 12 | D | 52 | Low | 60.2 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | trans | -43.9 | 116.5 | 171 | -71.2 | -45.2 | 0 | 0 | 0 | 108.3 | A10 R14 | A10-D12 PolarHBondContact O-N 3.12Å; A10-D12 VanDerWaalsContact O-N 3.12Å; D12-R14 PolarHBondContact O-N 3.06Å; D12-R14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | A | 67.5 | Low | 63.3 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 78% | 0.777 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | K11 D15 | K11-A13 PolarHBondContact O-N 3.3Å; A13-D15 PolarHBondContact O-N 3.47Å |
| 14 | R | 83.8 | Confident | 66.6 | Low | 46 Ų | 46 | 86.4 Ų | 86.4 | 17% | 0.174 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -51 | 136.6 | 174.2 | -179.1 | 172.1 | -71.4 | -152.2 | -0.5 | 108 | D12 R79 S273 Y274 D429 | D12-R14 PolarHBondContact O-N 3.06Å; D12-R14 VanDerWaalsContact O-N 3.15Å; R14-R79 PolarHBondContact NE-O 3.49Å; R14-R79 PolarHBondContact NH1-O 3.09Å; R14-R79 PolarHBondContact NH2-O 2.94Å; R14-S273 WeakPolarHBondContact CD-O 3.41Å; R14-S273 PolarHBondContact NH1-OG 3.22Å; R14-Y274 HydrophobicContact CG-CD1 3.53Å; R14-Y274 HydrophobicContact CG-CE1 3.56Å; R14-D429 IonicContact CZ-OD1 3.28Å; R14-D429 IonicContact NH2-OD1 3.08Å; R14-D429 PolarHBondContact NH2-OD1 3.48Å; R14-D429 IonicContact NH2-OD2 3.99Å; R14-D429 PolarHBondContact NH2-OD2 2.96Å |
| 15 | D | 87.6 | Confident | 69.8 | Low | 33 Ų | 33 | 82 Ų | 82 | 18% | 0.176 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 158.1 | 176.3 | -70.3 | -59.3 | 0 | 0 | 0 | 110.3 | A13 V198 K199 Y274 R428 | A13-D15 PolarHBondContact O-N 3.47Å; D15-V198 HydrophobicContact CB-CG2 3.8Å; D15-K199 WeakPolarHBondContact OD1-CE 3.24Å; D15-K199 IonicContact OD1-NZ 2.74Å; D15-K199 PolarHBondContact OD1-NZ 2.92Å; D15-Y274 HydrophobicContact CB-CD1 4.36Å; D15-Y274 VanDerWaalsContact O-CD1 3.3Å; D15-Y274 WeakPolarHBondContact O-CD1 3.49Å; D15-R428 IonicContact OD2-NH1 3.39Å |
| 16 | N | 91.4 | Very high | 72.7 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | trans | -121.9 | 155.5 | 173.5 | -59.8 | -51.1 | 0 | 0 | 0 | 109.9 | R79 Y274 | N16-R79 PolarHBondContact OD1-NH2 2.9Å; N16-Y274 VanDerWaalsContact CA-O 3.25Å; N16-Y274 WeakPolarHBondContact CA-O 3.29Å | ||
| 17 | W | 93.5 | Very high | 75.6 | Confident | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.049 | 41% | 0.409 | C | S | . | . | trans | -59.5 | 143.2 | 162.1 | -61 | 106 | 0 | 0 | 0 | 110.2 | S19 Q22 F23 A26 V198 T201 F271 Y274 | W17-S19 VanDerWaalsContact C-N 3.29Å; W17-S19 PolarHBondContact O-N 2.86Å; W17-Q22 HydrophobicContact CE3-CG 4.03Å; W17-Q22 HydrophobicContact CZ3-CG 4.5Å; W17-F23 HydrophobicContact CB-CB 4.45Å; W17-F23 AromaticContact CD1-CD2 3.91Å; W17-F23 HydrophobicContact CD2-CB 4.4Å; W17-F23 HydrophobicContact CG-CB 4.02Å; W17-F23 AromaticContact NE1-CD2 3.52Å; W17-A26 HydrophobicContact CH2-CB 3.78Å; W17-A26 HydrophobicContact CZ2-CB 4.27Å; W17-A26 HydrophobicContact CZ3-CB 4.17Å; W17-V198 HydrophobicContact CD2-CB 4.47Å; W17-V198 HydrophobicContact CE3-CB 4.14Å; W17-V198 HydrophobicContact CH2-CB 4.04Å; W17-V198 HydrophobicContact CH2-CG1 3.85Å; W17-V198 HydrophobicContact CZ2-CB 4.35Å; W17-V198 HydrophobicContact CZ2-CG1 3.85Å; W17-V198 HydrophobicContact CZ3-CB 3.91Å; W17-V198 HydrophobicContact CZ3-CG1 4.26Å; W17-T201 HydrophobicContact CH2-CG2 4.36Å; W17-F271 HydrophobicContact CH2-CD1 4.39Å; W17-F271 HydrophobicContact CH2-CE1 4.48Å; W17-F271 HydrophobicContact CZ2-CB 4.33Å; W17-F271 AromaticContact CZ2-CD1 3.89Å; W17-F271 HydrophobicContact CZ2-CD1 3.89Å; W17-F271 HydrophobicContact CZ2-CE1 4.42Å; W17-F271 HydrophobicContact CZ2-CG 4.23Å; W17-F271 PolarHBondContact NE1-O 3.34Å; W17-Y274 PolarHBondContact N-O 3.49Å | ||
| 18 | E | 90.7 | Very high | 78.8 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 60% | 0.598 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -68.8 | -31.9 | -179.9 | -64.2 | 177.7 | 161.7 | 0 | 0 | 111.2 | Q22 | E18-Q22 PolarHBondContact OE2-NE2 3.27Š|
| 19 | S | 92.2 | Very high | 81.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | trans | -149.4 | 156.3 | 176.5 | 70 | 0 | 0 | 0 | 0 | 112.7 | W17 T21 Q22 F23 | W17-S19 VanDerWaalsContact C-N 3.29Å; W17-S19 PolarHBondContact O-N 2.86Å; S19-T21 PolarHBondContact O-N 2.98Å; S19-Q22 WeakPolarHBondContact O-CB 3.31Å; S19-Q22 PolarHBondContact O-N 3.32Å; S19-Q22 VanDerWaalsContact O-N 3.15Å; S19-Q22 PolarHBondContact OG-N 2.94Å; S19-F23 PolarHBondContact O-N 2.99Å | ||
| 20 | P | 92.4 | Very high | 84.9 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.3 | -33.3 | 172.7 | -26.3 | 35.7 | 0 | 0 | 0 | 113.6 | Q22 F23 V24 | P20-Q22 VanDerWaalsContact C-N 3.35Å; P20-F23 PolarHBondContact O-N 3.02Å; P20-V24 WeakPolarHBondContact O-CG2 3.43Å; P20-V24 PolarHBondContact O-N 2.91Å |
| 21 | T | 92.6 | Very high | 87.9 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | S19 F23 V24 L25 | S19-T21 PolarHBondContact O-N 2.98Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.24Å; T21-V24 PolarHBondContact O-N 3.48Å; T21-L25 HydrophobicContact CG2-CD1 4.21Å; T21-L25 HydrophobicContact CG2-CG 4.43Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 2.96Å |
| 22 | Q | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.5 | -172.2 | 178.4 | 54.6 | 0 | 0 | 111.6 | W17 E18 S19 P20 L25 A26 G202 V205 Y206 | W17-Q22 HydrophobicContact CE3-CG 4.03Å; W17-Q22 HydrophobicContact CZ3-CG 4.5Å; E18-Q22 PolarHBondContact OE2-NE2 3.27Å; S19-Q22 WeakPolarHBondContact O-CB 3.31Å; S19-Q22 PolarHBondContact O-N 3.32Å; S19-Q22 VanDerWaalsContact O-N 3.15Å; S19-Q22 PolarHBondContact OG-N 2.94Å; P20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-L25 PolarHBondContact O-N 3.49Å; Q22-A26 WeakPolarHBondContact O-CB 3.3Å; Q22-A26 PolarHBondContact O-N 3.33Å; Q22-G202 VanDerWaalsContact CD-CA 3.48Å; Q22-G202 WeakPolarHBondContact CG-O 3.44Å; Q22-G202 PolarHBondContact NE2-O 3.39Å; Q22-V205 HydrophobicContact CG-CG2 4.47Å; Q22-Y206 HydrophobicContact CG-CE2 4.26Å |
| 23 | F | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 172.4 | 168.3 | -102.7 | 0 | 0 | 0 | 111.9 | W17 S19 P20 T21 L25 A26 C27 L72 F271 N275 Q284 | W17-F23 HydrophobicContact CB-CB 4.45Å; W17-F23 AromaticContact CD1-CD2 3.91Å; W17-F23 HydrophobicContact CD2-CB 4.4Å; W17-F23 HydrophobicContact CG-CB 4.02Å; W17-F23 AromaticContact NE1-CD2 3.52Å; S19-F23 PolarHBondContact O-N 2.99Å; P20-F23 PolarHBondContact O-N 3.02Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.24Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.47Å; F23-A26 WeakPolarHBondContact O-CB 3.43Å; F23-A26 PolarHBondContact O-N 3.23Å; F23-C27 WeakPolarHBondContact CE2-SG 3.5Å; F23-C27 VanDerWaalsContact CZ-SG 3.5Å; F23-C27 PolarHBondContact O-N 3.4Å; F23-C27 PolarHBondContact O-SG 3.02Å; F23-L72 HydrophobicContact CE1-CD1 4.28Å; F23-L72 HydrophobicContact CZ-CD1 4.03Å; F23-L72 HydrophobicContact CZ-CD2 3.98Å; F23-F271 HydrophobicContact CD2-CB 4.44Å; F23-F271 HydrophobicContact CE2-CB 3.93Å; F23-N275 VanDerWaalsContact CD2-OD1 3.29Å; F23-N275 WeakPolarHBondContact CD2-OD1 3.5Å; F23-N275 WeakPolarHBondContact CE2-ND2 3.4Å; F23-N275 WeakPolarHBondContact CG-OD1 3.45Å; F23-N275 WeakPolarHBondContact CZ-ND2 3.28Å; F23-Q284 HydrophobicContact CE1-CB 4.18Å |
| 24 | V | 96.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | P20 T21 A26 C27 V28 Q284 V288 | P20-V24 WeakPolarHBondContact O-CG2 3.43Å; P20-V24 PolarHBondContact O-N 2.91Å; T21-V24 PolarHBondContact O-N 3.48Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 3.38Å; V24-C27 PolarHBondContact O-N 3.31Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CG2 3.44Å; V24-V28 PolarHBondContact O-N 3.3Å; V24-Q284 HydrophobicContact CG2-CB 4.16Å; V24-Q284 HydrophobicContact CG2-CG 3.65Å; V24-V288 HydrophobicContact CG1-CG2 4.04Å |
| 25 | L | 96.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 17% | 0.168 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 177.3 | -71.1 | 174.4 | 0 | 0 | 0 | 112.4 | T21 Q22 F23 V28 S29 V205 Y206 A209 | T21-L25 HydrophobicContact CG2-CD1 4.21Å; T21-L25 HydrophobicContact CG2-CG 4.43Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 2.96Å; Q22-L25 PolarHBondContact O-N 3.49Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.47Å; L25-V28 PolarHBondContact O-N 2.95Å; L25-S29 VanDerWaalsContact O-CB 3.25Å; L25-S29 WeakPolarHBondContact O-CB 3.19Å; L25-S29 PolarHBondContact O-N 2.9Å; L25-V205 HydrophobicContact CB-CG2 4.29Å; L25-Y206 HydrophobicContact CD1-CD1 3.45Å; L25-Y206 VanDerWaalsContact CD1-CD1 3.45Å; L25-Y206 HydrophobicContact CD1-CE1 3.44Å; L25-Y206 VanDerWaalsContact CD1-CE1 3.44Å; L25-Y206 HydrophobicContact CD1-CG 4.19Å; L25-A209 HydrophobicContact CB-CB 4.49Å; L25-A209 HydrophobicContact CD2-CB 4.15Å |
| 26 | A | 96.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W17 Q22 F23 V24 S29 Y30 V205 | W17-A26 HydrophobicContact CH2-CB 3.78Å; W17-A26 HydrophobicContact CZ2-CB 4.27Å; W17-A26 HydrophobicContact CZ3-CB 4.17Å; Q22-A26 WeakPolarHBondContact O-CB 3.3Å; Q22-A26 PolarHBondContact O-N 3.33Å; F23-A26 WeakPolarHBondContact O-CB 3.43Å; F23-A26 PolarHBondContact O-N 3.23Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 3.38Å; A26-S29 PolarHBondContact O-N 2.97Å; A26-Y30 WeakPolarHBondContact O-CB 3.4Å; A26-Y30 PolarHBondContact O-N 3.31Å; A26-V205 HydrophobicContact CB-CG1 4.09Å; A26-V205 HydrophobicContact CB-CG2 4.36Å |
| 27 | C | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 174.9 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | F23 V24 Y30 A31 V288 | F23-C27 WeakPolarHBondContact CE2-SG 3.5Å; F23-C27 VanDerWaalsContact CZ-SG 3.5Å; F23-C27 PolarHBondContact O-N 3.4Å; F23-C27 PolarHBondContact O-SG 3.02Å; V24-C27 PolarHBondContact O-N 3.31Å; C27-Y30 PolarHBondContact O-N 2.97Å; C27-A31 VanDerWaalsContact O-CB 3.28Å; C27-A31 WeakPolarHBondContact O-CB 3.41Å; C27-A31 PolarHBondContact O-N 3.36Å; C27-V288 HydrophobicContact CB-CG1 3.99Å; C27-V288 HydrophobicContact CB-CG2 3.9Å |
| 28 | V | 96.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 174.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | V24 L25 Y30 A31 V32 Y213 V288 I291 | V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 WeakPolarHBondContact O-CG2 3.44Å; V24-V28 PolarHBondContact O-N 3.3Å; L25-V28 PolarHBondContact O-N 2.95Å; V28-Y30 PolarHBondContact O-N 2.98Å; V28-A31 PolarHBondContact O-N 3.47Å; V28-V32 HydrophobicContact CG1-CB 4.49Å; V28-V32 HydrophobicContact CG1-CG2 4.02Å; V28-V32 WeakPolarHBondContact O-CA 3.39Å; V28-V32 VanDerWaalsContact O-CB 3.24Å; V28-V32 WeakPolarHBondContact O-CB 3.44Å; V28-V32 PolarHBondContact O-N 3.02Å; V28-Y213 HydrophobicContact CG1-CE2 4.26Å; V28-V288 HydrophobicContact CG2-CG1 4.37Å; V28-V288 HydrophobicContact CG2-CG2 4.26Å; V28-I291 HydrophobicContact CG1-CG2 3.98Å; V28-I291 HydrophobicContact CG2-CB 4.44Å; V28-I291 HydrophobicContact CG2-CD1 4.17Å; V28-I291 HydrophobicContact CG2-CG2 3.99Å |
| 29 | S | 95.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -27.7 | 177.9 | -167.6 | 0 | 0 | 0 | 0 | 112.9 | L25 A26 T208 G414 S415 | L25-S29 VanDerWaalsContact O-CB 3.25Å; L25-S29 WeakPolarHBondContact O-CB 3.19Å; L25-S29 PolarHBondContact O-N 2.9Å; A26-S29 PolarHBondContact O-N 2.97Å; S29-T208 PolarHBondContact OG-OG1 2.88Å; S29-G414 CarbonylContact O-C 3.58Å; S29-G414 WeakPolarHBondContact O-CA 3.28Å; S29-G414 VanDerWaalsContact OG-CA 3.24Å; S29-G414 WeakPolarHBondContact OG-CA 3.19Å; S29-S415 PolarHBondContact O-N 3.44Å |
| 30 | Y | 95.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 15.8 Ų | 15.8 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -80.5 | -50.3 | 176.4 | 168.9 | -121.3 | 0 | 0 | 0 | 112 | A26 C27 V28 G262 F265 S267 L268 F271 S415 N419 | A26-Y30 WeakPolarHBondContact O-CB 3.4Å; A26-Y30 PolarHBondContact O-N 3.31Å; C27-Y30 PolarHBondContact O-N 2.97Å; V28-Y30 PolarHBondContact O-N 2.98Å; Y30-G262 WeakPolarHBondContact OH-CA 3.43Å; Y30-F265 WeakPolarHBondContact OH-CD2 3.45Å; Y30-S267 VanDerWaalsContact CZ-CB 3.41Å; Y30-S267 VanDerWaalsContact CZ-OG 3.29Å; Y30-S267 WeakPolarHBondContact OH-CB 3.4Å; Y30-S267 PolarHBondContact OH-OG 3.46Å; Y30-L268 HydrophobicContact CD1-CD2 3.95Å; Y30-L268 HydrophobicContact CE1-CD2 3.98Å; Y30-L268 HydrophobicContact CE1-CG 4.26Å; Y30-F271 HydrophobicContact CD1-CE2 4.39Å; Y30-F271 HydrophobicContact CG-CE2 4.18Å; Y30-S415 PolarHBondContact O-OG 2.86Å; Y30-N419 WeakPolarHBondContact CE2-OD1 3.43Å |
| 31 | A | 94.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.8 | -41.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C27 V28 G33 N36 S260 N292 | C27-A31 VanDerWaalsContact O-CB 3.28Å; C27-A31 WeakPolarHBondContact O-CB 3.41Å; C27-A31 PolarHBondContact O-N 3.36Å; V28-A31 PolarHBondContact O-N 3.47Å; A31-G33 PolarHBondContact O-N 3.12Å; A31-N36 PolarHBondContact O-OD1 3.48Å; A31-S260 CarbonylContact C-O 3.59Å; A31-S260 WeakPolarHBondContact CA-O 3.43Å; A31-S260 WeakPolarHBondContact CB-O 3.41Å; A31-N292 HydrophobicContact CB-CB 4.27Å; A31-N292 PolarHBondContact O-OD1 2.9Å |
| 32 | V | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 9.6 Ų | 9.6 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -84.7 | 101.5 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | V28 N36 N292 T295 L411 | V28-V32 HydrophobicContact CG1-CB 4.49Å; V28-V32 HydrophobicContact CG1-CG2 4.02Å; V28-V32 WeakPolarHBondContact O-CA 3.39Å; V28-V32 VanDerWaalsContact O-CB 3.24Å; V28-V32 WeakPolarHBondContact O-CB 3.44Å; V28-V32 PolarHBondContact O-N 3.02Å; V32-N36 WeakPolarHBondContact CA-OD1 3.45Å; V32-N292 HydrophobicContact CG2-CB 4.33Å; V32-T295 HydrophobicContact CG1-CG2 3.64Å; V32-T295 HydrophobicContact CG2-CG2 4.47Å; V32-L411 HydrophobicContact CG1-CD2 3.92Å |
| 33 | G | 89.8 | Confident | 92.6 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 3% | 0.031 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -135.4 | -161.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A31 G35 N36 | A31-G33 PolarHBondContact O-N 3.12Å; G33-G35 PolarHBondContact O-N 3.11Å; G33-N36 PolarHBondContact N-OD1 2.93Å; G33-N36 PolarHBondContact O-N 2.98Å; G33-N36 VanDerWaalsContact O-N 3.13Å; G33-N36 PolarHBondContact O-OD1 2.92Å |
| 34 | L | 87.3 | Confident | 92.4 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.3 | -33.4 | -179.4 | -64.2 | 159.1 | 0 | 0 | 0 | 112.4 | N36 V37 W38 Y111 I114 L408 | L34-N36 PolarHBondContact O-N 2.99Å; L34-V37 PolarHBondContact O-N 3.01Å; L34-V37 VanDerWaalsContact O-N 3.1Å; L34-W38 HydrophobicContact CB-CD2 4.01Å; L34-W38 HydrophobicContact CB-CE3 4.09Å; L34-W38 HydrophobicContact CB-CH2 4.1Å; L34-W38 HydrophobicContact CB-CZ2 3.81Å; L34-W38 HydrophobicContact CB-CZ3 4.19Å; L34-W38 HydrophobicContact CD1-CH2 4.15Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD2-CE3 4.12Å; L34-W38 HydrophobicContact CD2-CH2 4.32Å; L34-W38 HydrophobicContact CD2-CZ3 3.88Å; L34-W38 HydrophobicContact CG-CH2 4.42Å; L34-W38 HydrophobicContact CG-CZ3 4.42Å; L34-W38 VanDerWaalsContact O-CG 3.29Å; L34-W38 PolarHBondContact O-N 2.9Å; L34-Y111 HydrophobicContact CD1-CD1 4.33Å; L34-I114 HydrophobicContact CD1-CB 4.03Å; L34-I114 HydrophobicContact CD1-CD1 3.96Å; L34-I114 HydrophobicContact CD1-CG2 3.57Å; L34-I114 HydrophobicContact CD2-CG2 4.17Å; L34-I114 HydrophobicContact CG-CG2 4.48Å; L34-L408 HydrophobicContact CD2-CB 4.29Å; L34-L408 HydrophobicContact CD2-CD2 3.79Å |
| 35 | G | 87.8 | Confident | 91.9 | Very high | 14 Ų | 14 | 9.1 Ų | 9.1 | 14% | 0.144 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -60.3 | -30.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G33 R39 F40 | G33-G35 PolarHBondContact O-N 3.11Å; G35-R39 WeakPolarHBondContact O-CB 3.41Å; G35-R39 PolarHBondContact O-N 3.47Å; G35-R39 VanDerWaalsContact O-N 3.08Å; G35-F40 PolarHBondContact O-N 3.39Å |
| 36 | N | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -72.9 | -30.8 | 177.2 | -55 | 78.7 | 0 | 0 | 0 | 112 | A31 V32 G33 L34 S260 N292 S296 | A31-N36 PolarHBondContact O-OD1 3.48Å; V32-N36 WeakPolarHBondContact CA-OD1 3.45Å; G33-N36 PolarHBondContact N-OD1 2.93Å; G33-N36 PolarHBondContact O-N 2.98Å; G33-N36 VanDerWaalsContact O-N 3.13Å; G33-N36 PolarHBondContact O-OD1 2.92Å; L34-N36 PolarHBondContact O-N 2.99Å; N36-S260 PolarHBondContact ND2-OG 3.34Å; N36-N292 PolarHBondContact ND2-O 2.92Å; N36-N292 PolarHBondContact ND2-OD1 3.48Å; N36-S296 PolarHBondContact ND2-OG 2.87Å |
| 37 | V | 86.4 | Confident | 91.2 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.012 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -92.1 | -31.5 | -174.2 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | L34 P41 A299 T303 M407 L408 L411 | L34-V37 PolarHBondContact O-N 3.01Å; L34-V37 VanDerWaalsContact O-N 3.1Å; V37-P41 WeakPolarHBondContact O-CG 3.44Å; V37-A299 HydrophobicContact CG2-CB 4.26Å; V37-T303 PolarHBondContact O-OG1 3.4Å; V37-M407 HydrophobicContact CG1-CE 4.34Å; V37-L408 HydrophobicContact CG1-CD2 4.22Å; V37-L411 HydrophobicContact CG2-CD1 3.5Å; V37-L411 VanDerWaalsContact CG2-CD1 3.5Å |
| 38 | W | 84.5 | Confident | 90.6 | Very high | 17 Ų | 17 | 12.7 Ų | 12.7 | 6% | 0.064 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -116.9 | -37 | -179.7 | 65.2 | 56.6 | 0 | 0 | 0 | 114.7 | L34 Y42 I114 L382 A383 F384 | L34-W38 HydrophobicContact CB-CD2 4.01Å; L34-W38 HydrophobicContact CB-CE3 4.09Å; L34-W38 HydrophobicContact CB-CH2 4.1Å; L34-W38 HydrophobicContact CB-CZ2 3.81Å; L34-W38 HydrophobicContact CB-CZ3 4.19Å; L34-W38 HydrophobicContact CD1-CH2 4.15Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD2-CE3 4.12Å; L34-W38 HydrophobicContact CD2-CH2 4.32Å; L34-W38 HydrophobicContact CD2-CZ3 3.88Å; L34-W38 HydrophobicContact CG-CH2 4.42Å; L34-W38 HydrophobicContact CG-CZ3 4.42Å; L34-W38 VanDerWaalsContact O-CG 3.29Å; L34-W38 PolarHBondContact O-N 2.9Å; W38-Y42 WeakPolarHBondContact O-CB 3.31Å; W38-Y42 PolarHBondContact O-N 2.97Å; W38-I114 HydrophobicContact CH2-CB 4.09Å; W38-I114 HydrophobicContact CH2-CD1 3.45Å; W38-I114 VanDerWaalsContact CH2-CD1 3.45Å; W38-I114 HydrophobicContact CH2-CG1 3.71Å; W38-I114 HydrophobicContact CH2-CG2 3.31Å; W38-I114 HydrophobicContact CZ2-CD1 3.52Å; W38-I114 HydrophobicContact CZ2-CG1 4.27Å; W38-I114 HydrophobicContact CZ2-CG2 4.4Å; W38-I114 HydrophobicContact CZ3-CG2 3.66Å; W38-L382 HydrophobicContact CB-CB 4.43Å; W38-L382 HydrophobicContact CB-CD2 4.1Å; W38-L382 WeakPolarHBondContact O-CD2 3.37Å; W38-A383 HydrophobicContact CB-CB 4.45Å; W38-A383 HydrophobicContact CD2-CB 4.33Å; W38-A383 HydrophobicContact CE3-CB 3.35Å; W38-A383 HydrophobicContact CZ3-CB 3.71Å; W38-F384 HydrophobicContact CZ3-CE2 4.22Å |
| 39 | R | 89.6 | Confident | 90.2 | Very high | 37 Ų | 37 | 12.5 Ų | 12.5 | 14% | 0.14 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -84.1 | -46.2 | -167.5 | -173.4 | 176.8 | 178.5 | 179.9 | -0.6 | 109.2 | G35 Y42 L43 Q256 F259 | G35-R39 WeakPolarHBondContact O-CB 3.41Å; G35-R39 PolarHBondContact O-N 3.47Å; G35-R39 VanDerWaalsContact O-N 3.08Å; R39-Y42 WeakPolarHBondContact O-CB 3.29Å; R39-Y42 PolarHBondContact O-N 3.39Å; R39-L43 HydrophobicContact CG-CD1 4.09Å; R39-L43 HydrophobicContact CG-CG 4.34Å; R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 3.19Å; R39-Q256 VanDerWaalsContact CD-OE1 3.29Å; R39-F259 VanDerWaalsContact NH1-CD2 3.31Å |
| 40 | F | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 179.4 | -176.6 | -80.1 | 0 | 0 | 0 | 112.7 | G35 Y42 L43 C44 F52 L53 Y56 Q256 I297 S300 | G35-F40 PolarHBondContact O-N 3.39Å; F40-Y42 VanDerWaalsContact C-N 3.32Å; F40-Y42 PolarHBondContact O-N 2.78Å; F40-L43 PolarHBondContact O-N 3.35Å; F40-C44 WeakPolarHBondContact O-CB 3.39Å; F40-C44 PolarHBondContact O-N 3.42Å; F40-F52 HydrophobicContact CD2-CE1 4.35Å; F40-F52 HydrophobicContact CE2-CE1 4.04Å; F40-L53 HydrophobicContact CE1-CD2 4.23Å; F40-L53 HydrophobicContact CZ-CD2 3.78Å; F40-Y56 HydrophobicContact CD2-CD2 4.19Å; F40-Y56 HydrophobicContact CD2-CE1 4.45Å; F40-Y56 AromaticContact CD2-CE2 3.8Å; F40-Y56 HydrophobicContact CD2-CE2 3.8Å; F40-Y56 AromaticContact CD2-CZ 3.95Å; F40-Y56 AromaticContact CE2-CD1 3.62Å; F40-Y56 HydrophobicContact CE2-CD1 3.62Å; F40-Y56 AromaticContact CE2-CD2 3.58Å; F40-Y56 HydrophobicContact CE2-CD2 3.58Å; F40-Y56 AromaticContact CE2-CE1 3.51Å; F40-Y56 HydrophobicContact CE2-CE1 3.51Å; F40-Y56 AromaticContact CE2-CE2 3.46Å; F40-Y56 HydrophobicContact CE2-CE2 3.46Å; F40-Y56 VanDerWaalsContact CE2-CE2 3.46Å; F40-Y56 AromaticContact CE2-CG 3.64Å; F40-Y56 HydrophobicContact CE2-CG 3.64Å; F40-Y56 AromaticContact CE2-CZ 3.43Å; F40-Y56 VanDerWaalsContact CE2-CZ 3.43Å; F40-Y56 HydrophobicContact CZ-CD1 4.01Å; F40-Y56 HydrophobicContact CZ-CE1 4.02Å; F40-Y56 HydrophobicContact CZ-CG 4.32Å; F40-Q256 HydrophobicContact CD2-CG 3.93Å; F40-I297 HydrophobicContact CE1-CG1 4.48Å; F40-I297 HydrophobicContact CZ-CG1 4.27Å; F40-S300 WeakPolarHBondContact CD1-OG 3.48Å; F40-S300 VanDerWaalsContact CE1-OG 3.29Å; F40-S300 WeakPolarHBondContact CE1-OG 3.39Å |
| 41 | P | 92.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.013 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 175.9 | -23 | 33.6 | 0 | 0 | 0 | 112.9 | V37 C44 Q45 T303 F304 | V37-P41 WeakPolarHBondContact O-CG 3.44Å; P41-C44 WeakPolarHBondContact O-CB 3.45Å; P41-C44 PolarHBondContact O-N 3.06Å; P41-Q45 PolarHBondContact O-N 2.94Å; P41-T303 HydrophobicContact CB-CG2 3.89Å; P41-T303 HydrophobicContact CG-CG2 4.23Å; P41-F304 HydrophobicContact CB-CD2 4.49Å; P41-F304 HydrophobicContact CB-CE2 4.09Å |
| 42 | Y | 90.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 11.9 Ų | 11.9 | 11% | 0.11 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 174.4 | 167 | -103.8 | 0 | 0 | 0 | 112.1 | W38 R39 F40 C44 Q45 M46 A376 V377 E378 | W38-Y42 WeakPolarHBondContact O-CB 3.31Å; W38-Y42 PolarHBondContact O-N 2.97Å; R39-Y42 WeakPolarHBondContact O-CB 3.29Å; R39-Y42 PolarHBondContact O-N 3.39Å; F40-Y42 VanDerWaalsContact C-N 3.32Å; F40-Y42 PolarHBondContact O-N 2.78Å; Y42-C44 VanDerWaalsContact C-N 3.28Å; Y42-C44 PolarHBondContact O-N 3.48Å; Y42-Q45 WeakPolarHBondContact O-CB 3.47Å; Y42-Q45 PolarHBondContact O-N 3.48Å; Y42-Q45 VanDerWaalsContact O-N 3.1Å; Y42-M46 HydrophobicContact CD2-CG 3.98Å; Y42-M46 HydrophobicContact CE1-CG 4.21Å; Y42-M46 HydrophobicContact CE2-CG 3.44Å; Y42-M46 VanDerWaalsContact CE2-CG 3.44Å; Y42-M46 HydrophobicContact CE2-SD 4.15Å; Y42-M46 WeakPolarHBondContact O-CG 3.36Å; Y42-M46 PolarHBondContact O-N 3.03Å; Y42-A376 HydrophobicContact CD2-CB 3.94Å; Y42-A376 HydrophobicContact CE2-CB 3.81Å; Y42-V377 WeakPolarHBondContact CD2-O 3.32Å; Y42-E378 HydrophobicContact CD1-CB 4.29Å; Y42-E378 HydrophobicContact CD1-CG 3.8Å; Y42-E378 HydrophobicContact CD2-CB 4.09Å; Y42-E378 HydrophobicContact CD2-CG 4.49Å; Y42-E378 HydrophobicContact CE1-CB 3.82Å; Y42-E378 HydrophobicContact CE1-CG 3.36Å; Y42-E378 WeakPolarHBondContact CE1-OE1 3.32Å; Y42-E378 WeakPolarHBondContact CE1-OE2 3.34Å; Y42-E378 HydrophobicContact CE2-CB 3.61Å; Y42-E378 HydrophobicContact CE2-CG 4.15Å; Y42-E378 HydrophobicContact CG-CB 4.4Å; Y42-E378 HydrophobicContact CG-CG 4.33Å; Y42-E378 VanDerWaalsContact CZ-CB 3.44Å; Y42-E378 VanDerWaalsContact CZ-CD 3.44Å; Y42-E378 VanDerWaalsContact CZ-OE2 3.3Å; Y42-E378 PolarHBondContact OH-OE2 3.45Å |
| 43 | L | 91.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.6 | -69.9 | 177.3 | 0 | 0 | 0 | 111.7 | R39 F40 M46 H47 F52 N252 Q256 | R39-L43 HydrophobicContact CG-CD1 4.09Å; R39-L43 HydrophobicContact CG-CG 4.34Å; R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 3.19Å; F40-L43 PolarHBondContact O-N 3.35Å; L43-M46 PolarHBondContact O-N 3.43Å; L43-H47 WeakPolarHBondContact O-CB 3.49Å; L43-H47 PolarHBondContact O-CD2 3.31Å; L43-H47 PolarHBondContact O-N 3.24Å; L43-F52 HydrophobicContact CB-CE1 3.91Å; L43-F52 HydrophobicContact CB-CE2 4.32Å; L43-F52 HydrophobicContact CB-CZ 3.77Å; L43-F52 HydrophobicContact CD1-CZ 4.22Å; L43-N252 HydrophobicContact CD2-CB 4.15Å; L43-Q256 HydrophobicContact CD1-CB 3.87Å; L43-Q256 HydrophobicContact CD1-CG 4.06Å |
| 44 | C | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | F40 P41 Y42 G49 F52 F304 | F40-C44 WeakPolarHBondContact O-CB 3.39Å; F40-C44 PolarHBondContact O-N 3.42Å; P41-C44 WeakPolarHBondContact O-CB 3.45Å; P41-C44 PolarHBondContact O-N 3.06Å; Y42-C44 VanDerWaalsContact C-N 3.28Å; Y42-C44 PolarHBondContact O-N 3.48Å; C44-G49 WeakPolarHBondContact O-CA 3.21Å; C44-G49 PolarHBondContact O-N 2.91Å; C44-G49 PolarHBondContact SG-O 2.91Å; C44-F52 HydrophobicContact CB-CD1 4.14Å; C44-F304 HydrophobicContact CB-CE2 4.36Å |
| 45 | Q | 87.9 | Confident | 90.2 | Very high | 11 Ų | 11 | 16 Ų | 16 | 5% | 0.051 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.6 | -164.9 | 179.6 | -0.5 | 0 | 0 | 112.5 | P41 Y42 Y235 F304 L373 A376 | P41-Q45 PolarHBondContact O-N 2.94Å; Y42-Q45 WeakPolarHBondContact O-CB 3.47Å; Y42-Q45 PolarHBondContact O-N 3.48Å; Y42-Q45 VanDerWaalsContact O-N 3.1Å; Q45-Y235 HydrophobicContact CG-CE1 3.94Å; Q45-F304 HydrophobicContact CB-CE1 4.28Å; Q45-F304 HydrophobicContact CB-CZ 3.84Å; Q45-F304 HydrophobicContact CG-CE1 4.27Å; Q45-F304 HydrophobicContact CG-CZ 4.34Å; Q45-L373 PolarHBondContact NE2-O 3.36Å; Q45-A376 HydrophobicContact CG-CB 4.16Å |
| 46 | M | 87.5 | Confident | 90.6 | Very high | 89 Ų | 89 | 15.4 Ų | 15.4 | 44% | 0.438 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -73.9 | -34.2 | -175.2 | -72.9 | -61 | -71.9 | 0 | 0 | 113.7 | Y42 L43 G48 A376 | Y42-M46 HydrophobicContact CD2-CG 3.98Å; Y42-M46 HydrophobicContact CE1-CG 4.21Å; Y42-M46 HydrophobicContact CE2-CG 3.44Å; Y42-M46 VanDerWaalsContact CE2-CG 3.44Å; Y42-M46 HydrophobicContact CE2-SD 4.15Å; Y42-M46 WeakPolarHBondContact O-CG 3.36Å; Y42-M46 PolarHBondContact O-N 3.03Å; L43-M46 PolarHBondContact O-N 3.43Å; M46-G48 PolarHBondContact O-N 3.34Å; M46-A376 HydrophobicContact CG-CB 3.9Å; M46-A376 HydrophobicContact SD-CB 3.38Å; M46-A376 WeakPolarHBondContact SD-CB 3.38Å |
| 47 | H | 90 | Very high | 90.9 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 42.1 | -175.4 | -66.8 | -69.2 | 0 | 0 | 0 | 113 | L43 F52 T249 N252 | L43-H47 WeakPolarHBondContact O-CB 3.49Å; L43-H47 PolarHBondContact O-CD2 3.31Å; L43-H47 PolarHBondContact O-N 3.24Å; H47-F52 HydrophobicContact CB-CB 4.09Å; H47-F52 HydrophobicContact CB-CD2 3.55Å; H47-F52 HydrophobicContact CB-CE2 4.34Å; H47-F52 HydrophobicContact CB-CG 4.12Å; H47-F52 PolarHBondContact O-N 3.36Å; H47-T249 HydrophobicContact CB-CG2 3.92Å; H47-T249 PolarHBondContact ND1-OG1 3.44Å; H47-T249 VanDerWaalsContact ND1-OG1 3.08Å; H47-N252 PolarHBondContact CE1-ND2 3.23Å; H47-N252 PolarHBondContact NE2-ND2 3.34Å |
| 48 | G | 84.6 | Confident | 91.3 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 26.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | M46 G50 G51 K240 | M46-G48 PolarHBondContact O-N 3.34Å; G48-G50 PolarHBondContact O-N 3.31Å; G48-G50 VanDerWaalsContact O-N 3.13Å; G48-G51 PolarHBondContact O-N 2.97Å; G48-K240 PolarHBondContact O-N 3.15Å |
| 49 | G | 87.4 | Confident | 91.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | 60.2 | -114.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C44 G51 F52 M236 | C44-G49 WeakPolarHBondContact O-CA 3.21Å; C44-G49 PolarHBondContact O-N 2.91Å; C44-G49 PolarHBondContact SG-O 2.91Å; G49-G51 PolarHBondContact O-N 3.36Å; G49-F52 WeakPolarHBondContact O-CB 3.33Å; G49-F52 PolarHBondContact O-N 2.93Å; G49-F52 VanDerWaalsContact O-N 3.14Å; G49-M236 CarbonylContact C-O 3.46Å |
| 50 | G | 87.4 | Confident | 92.2 | Very high | 9 Ų | 9 | 21 Ų | 21 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -22.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G48 F52 L53 M236 | G48-G50 PolarHBondContact O-N 3.31Å; G48-G50 VanDerWaalsContact O-N 3.13Å; G50-F52 VanDerWaalsContact C-N 3.32Å; G50-F52 PolarHBondContact O-N 3.37Å; G50-L53 WeakPolarHBondContact O-CB 3.45Å; G50-L53 PolarHBondContact O-N 3.42Å; G50-M236 VanDerWaalsContact CA-O 3.25Å; G50-M236 WeakPolarHBondContact CA-O 3.31Å; G50-M236 PolarHBondContact N-O 3.27Å |
| 51 | G | 91.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G48 G49 L53 I54 P55 | G48-G51 PolarHBondContact O-N 2.97Å; G49-G51 PolarHBondContact O-N 3.36Å; G51-L53 PolarHBondContact O-N 3.33Å; G51-I54 PolarHBondContact O-N 2.94Å; G51-P55 WeakPolarHBondContact O-CD 3.47Å |
| 52 | F | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.7 | -25.1 | -180 | -176.8 | -107.5 | 0 | 0 | 0 | 113.9 | F40 L43 C44 H47 G49 G50 I54 P55 Y56 T249 A253 | F40-F52 HydrophobicContact CD2-CE1 4.35Å; F40-F52 HydrophobicContact CE2-CE1 4.04Å; L43-F52 HydrophobicContact CB-CE1 3.91Å; L43-F52 HydrophobicContact CB-CE2 4.32Å; L43-F52 HydrophobicContact CB-CZ 3.77Å; L43-F52 HydrophobicContact CD1-CZ 4.22Å; C44-F52 HydrophobicContact CB-CD1 4.14Å; H47-F52 HydrophobicContact CB-CB 4.09Å; H47-F52 HydrophobicContact CB-CD2 3.55Å; H47-F52 HydrophobicContact CB-CE2 4.34Å; H47-F52 HydrophobicContact CB-CG 4.12Å; H47-F52 PolarHBondContact O-N 3.36Å; G49-F52 WeakPolarHBondContact O-CB 3.33Å; G49-F52 PolarHBondContact O-N 2.93Å; G49-F52 VanDerWaalsContact O-N 3.14Å; G50-F52 VanDerWaalsContact C-N 3.32Å; G50-F52 PolarHBondContact O-N 3.37Å; F52-I54 PolarHBondContact O-N 3.5Å; F52-P55 WeakPolarHBondContact O-CD 3.43Å; F52-P55 VanDerWaalsContact O-CG 3.29Å; F52-P55 WeakPolarHBondContact O-CG 3.35Å; F52-Y56 WeakPolarHBondContact O-CB 3.49Å; F52-Y56 PolarHBondContact O-N 3.06Å; F52-T249 HydrophobicContact CD2-CG2 4.16Å; F52-A253 HydrophobicContact CE2-CB 3.83Å; F52-A253 HydrophobicContact CZ-CB 4.12Å |
| 53 | L | 94.4 | Very high | 92.8 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.12 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -29.2 | 179.4 | -61.1 | 180 | 0 | 0 | 0 | 112.1 | F40 G50 G51 L57 F237 I297 | F40-L53 HydrophobicContact CE1-CD2 4.23Å; F40-L53 HydrophobicContact CZ-CD2 3.78Å; G50-L53 WeakPolarHBondContact O-CB 3.45Å; G50-L53 PolarHBondContact O-N 3.42Å; G51-L53 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CB 3.29Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.25Å; L53-F237 HydrophobicContact CD1-CD1 4.32Å; L53-F237 HydrophobicContact CD1-CE1 4.08Å; L53-I297 HydrophobicContact CD2-CG1 4.36Å |
| 54 | I | 94.7 | Very high | 93.1 | Very high | 75 Ų | 75 | 25.9 Ų | 25.9 | 39% | 0.385 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.5 | -60.9 | 178.9 | -59.4 | 170.6 | 0 | 0 | 0 | 111.3 | G51 F52 Y56 L57 L58 L244 | G51-I54 PolarHBondContact O-N 2.94Å; F52-I54 PolarHBondContact O-N 3.5Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 3.49Å; I54-L57 PolarHBondContact O-N 3.4Å; I54-L58 HydrophobicContact CG2-CD1 4.02Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.2Å; I54-L244 HydrophobicContact CD1-CD1 4.2Å |
| 55 | P | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 178.4 | 25 | -33.8 | 0 | 0 | 0 | 111.5 | G51 F52 L58 M59 L244 T249 W250 A253 | G51-P55 WeakPolarHBondContact O-CD 3.47Å; F52-P55 WeakPolarHBondContact O-CD 3.43Å; F52-P55 VanDerWaalsContact O-CG 3.29Å; F52-P55 WeakPolarHBondContact O-CG 3.35Å; P55-L58 PolarHBondContact O-N 3.39Å; P55-M59 WeakPolarHBondContact O-CB 3.15Å; P55-M59 WeakPolarHBondContact O-CG 3.32Å; P55-M59 PolarHBondContact O-N 2.97Å; P55-L244 HydrophobicContact CG-CD2 4.21Å; P55-T249 HydrophobicContact CG-CG2 3.95Å; P55-W250 HydrophobicContact CB-CD2 3.75Å; P55-W250 HydrophobicContact CB-CE3 3.47Å; P55-W250 VanDerWaalsContact CB-CE3 3.47Å; P55-W250 HydrophobicContact CB-CG 4.44Å; P55-W250 HydrophobicContact CB-CH2 4.08Å; P55-W250 HydrophobicContact CB-CZ2 4.29Å; P55-W250 HydrophobicContact CB-CZ3 3.66Å; P55-A253 HydrophobicContact CB-CB 3.88Å; P55-A253 HydrophobicContact CG-CB 4.27Å |
| 56 | Y | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -49.8 | 176.6 | 177.6 | -103.2 | 0 | 0 | 0 | 113.2 | F40 F52 I54 L58 M59 L60 Q256 I257 S293 S296 | F40-Y56 HydrophobicContact CD2-CD2 4.19Å; F40-Y56 HydrophobicContact CD2-CE1 4.45Å; F40-Y56 AromaticContact CD2-CE2 3.8Å; F40-Y56 HydrophobicContact CD2-CE2 3.8Å; F40-Y56 AromaticContact CD2-CZ 3.95Å; F40-Y56 AromaticContact CE2-CD1 3.62Å; F40-Y56 HydrophobicContact CE2-CD1 3.62Å; F40-Y56 AromaticContact CE2-CD2 3.58Å; F40-Y56 HydrophobicContact CE2-CD2 3.58Å; F40-Y56 AromaticContact CE2-CE1 3.51Å; F40-Y56 HydrophobicContact CE2-CE1 3.51Å; F40-Y56 AromaticContact CE2-CE2 3.46Å; F40-Y56 HydrophobicContact CE2-CE2 3.46Å; F40-Y56 VanDerWaalsContact CE2-CE2 3.46Å; F40-Y56 AromaticContact CE2-CG 3.64Å; F40-Y56 HydrophobicContact CE2-CG 3.64Å; F40-Y56 AromaticContact CE2-CZ 3.43Å; F40-Y56 VanDerWaalsContact CE2-CZ 3.43Å; F40-Y56 HydrophobicContact CZ-CD1 4.01Å; F40-Y56 HydrophobicContact CZ-CE1 4.02Å; F40-Y56 HydrophobicContact CZ-CG 4.32Å; F52-Y56 WeakPolarHBondContact O-CB 3.49Å; F52-Y56 PolarHBondContact O-N 3.06Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 3.49Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.33Å; Y56-M59 PolarHBondContact O-N 3.3Å; Y56-L60 WeakPolarHBondContact O-CB 3.36Å; Y56-L60 PolarHBondContact O-N 3.45Å; Y56-Q256 HydrophobicContact CD2-CG 4.4Å; Y56-Q256 HydrophobicContact CE2-CG 4.03Å; Y56-I257 HydrophobicContact CD2-CD1 3.64Å; Y56-I257 HydrophobicContact CD2-CG1 3.83Å; Y56-I257 HydrophobicContact CE1-CD1 4.24Å; Y56-I257 HydrophobicContact CE2-CD1 3.15Å; Y56-I257 HydrophobicContact CE2-CG1 3.71Å; Y56-I257 HydrophobicContact CG-CD1 4.37Å; Y56-S293 WeakPolarHBondContact OH-CA 3.3Å; Y56-S293 PolarHBondContact OH-OG 2.82Å; Y56-S296 PolarHBondContact OH-OG 2.99Å |
| 57 | L | 96.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 22.1 Ų | 22.1 | 44% | 0.44 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.5 | -33.3 | 179.7 | -70.1 | 173.7 | 0 | 0 | 0 | 112.3 | L53 I54 L60 L61 I297 | L53-L57 WeakPolarHBondContact O-CB 3.29Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.25Å; I54-L57 PolarHBondContact O-N 3.4Å; L57-L60 HydrophobicContact CD2-CD2 4.41Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 2.94Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L57-I297 HydrophobicContact CD2-CD1 4.44Å |
| 58 | L | 96.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 21.2 Ų | 21.2 | 37% | 0.366 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -66.2 | -47.1 | 173.1 | -71.9 | 173.6 | 0 | 0 | 0 | 111.3 | I54 P55 Y56 L60 L61 L62 W250 | I54-L58 HydrophobicContact CG2-CD1 4.02Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.2Å; P55-L58 PolarHBondContact O-N 3.39Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.28Å; L58-L60 PolarHBondContact O-N 3.32Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L58-L62 WeakPolarHBondContact O-CB 3.25Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.88Å; L58-W250 HydrophobicContact CD1-CH2 3.85Å; L58-W250 HydrophobicContact CD1-CZ3 4.06Å |
| 59 | M | 95.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.044 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.1 | -69.5 | -60.7 | 172 | 0 | 0 | 112.1 | P55 Y56 E63 G64 W250 A253 A254 I257 L528 | P55-M59 WeakPolarHBondContact O-CB 3.15Å; P55-M59 WeakPolarHBondContact O-CG 3.32Å; P55-M59 PolarHBondContact O-N 2.97Å; Y56-M59 PolarHBondContact O-N 3.3Å; M59-E63 WeakPolarHBondContact O-CA 3.43Å; M59-E63 WeakPolarHBondContact O-CB 3.47Å; M59-E63 PolarHBondContact O-N 3.02Å; M59-E63 HydrophobicContact SD-CG 4.41Å; M59-G64 PolarHBondContact O-N 3.34Å; M59-W250 HydrophobicContact CE-CE3 3.61Å; M59-W250 HydrophobicContact CE-CZ3 4.2Å; M59-A253 HydrophobicContact CG-CB 4.47Å; M59-A254 HydrophobicContact CB-CB 4.41Å; M59-A254 HydrophobicContact CG-CB 3.96Å; M59-A254 HydrophobicContact SD-CB 3.99Å; M59-I257 HydrophobicContact CB-CG1 4.21Å; M59-L528 HydrophobicContact CE-CD2 4.45Å |
| 60 | L | 97.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.068 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -58.4 | -48.4 | 170.2 | 178.2 | 64.2 | 0 | 0 | 0 | 111.7 | Y56 L57 L58 G64 V65 I257 L261 S293 | Y56-L60 WeakPolarHBondContact O-CB 3.36Å; Y56-L60 PolarHBondContact O-N 3.45Å; L57-L60 HydrophobicContact CD2-CD2 4.41Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L58-L60 VanDerWaalsContact C-N 3.28Å; L58-L60 PolarHBondContact O-N 3.32Å; L60-G64 CarbonylContact O-C 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 2.94Å; L60-V65 HydrophobicContact CD1-CG2 4Å; L60-V65 HydrophobicContact CG-CG2 4.15Å; L60-V65 WeakPolarHBondContact O-CG2 3.47Å; L60-V65 PolarHBondContact O-N 3.46Å; L60-I257 HydrophobicContact CB-CD1 3.71Å; L60-I257 HydrophobicContact CD1-CD1 3.95Å; L60-I257 HydrophobicContact CG-CD1 4.39Å; L60-L261 HydrophobicContact CD1-CD1 4.13Å; L60-S293 VanDerWaalsContact CD1-OG 3.29Å; L60-S293 WeakPolarHBondContact CD1-OG 3.26Å; L60-S293 VanDerWaalsContact CD2-OG 3.22Å; L60-S293 WeakPolarHBondContact CD2-OG 3.45Å |
| 61 | L | 97 | Very high | 96.2 | Very high | 91 Ų | 91 | 20.7 Ų | 20.7 | 48% | 0.476 | 11% | 0.109 | S | C | . | . | I | π-helix | trans | -72.3 | -40.1 | -176.1 | -177.3 | 65.5 | 0 | 0 | 0 | 112.6 | L57 L58 P66 F512 | L57-L61 PolarHBondContact O-N 2.94Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L61-P66 WeakPolarHBondContact O-CD 3.31Å; L61-P66 WeakPolarHBondContact O-CG 3.47Å; L61-F512 HydrophobicContact CD1-CZ 4.04Å; L61-F512 HydrophobicContact CG-CZ 4.37Å |
| 62 | L | 96 | Very high | 96.5 | Very high | 46 Ų | 46 | 20.7 Ų | 20.7 | 24% | 0.241 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -88.1 | -27.8 | -172 | -60.9 | 178.4 | 0 | 0 | 0 | 113.5 | L58 M516 I520 S521 L524 | L58-L62 WeakPolarHBondContact O-CB 3.25Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.88Å; L62-M516 HydrophobicContact CD2-CE 4.3Å; L62-M516 HydrophobicContact CD2-SD 4.01Å; L62-I520 HydrophobicContact CB-CG2 4.46Å; L62-I520 HydrophobicContact CD2-CG2 4.4Å; L62-S521 PolarHBondContact O-OG 3.17Å; L62-L524 HydrophobicContact CB-CD1 3.88Å; L62-L524 HydrophobicContact CD1-CD1 4.06Å |
| 63 | E | 94.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -124.8 | -55.8 | -178.5 | -60.4 | -172.9 | 145 | 0 | 0 | 111.2 | M59 V65 P66 L67 F258 L524 L525 | M59-E63 WeakPolarHBondContact O-CA 3.43Å; M59-E63 WeakPolarHBondContact O-CB 3.47Å; M59-E63 PolarHBondContact O-N 3.02Å; M59-E63 HydrophobicContact SD-CG 4.41Å; E63-V65 PolarHBondContact O-N 3.43Å; E63-P66 WeakPolarHBondContact O-CD 3.3Å; E63-L67 HydrophobicContact CB-CD1 3.93Å; E63-L67 WeakPolarHBondContact O-CB 3.34Å; E63-L67 WeakPolarHBondContact O-CD1 3.4Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; E63-L67 PolarHBondContact O-N 2.88Å; E63-F258 HydrophobicContact CB-CE1 3.94Å; E63-F258 HydrophobicContact CB-CZ 4.38Å; E63-F258 WeakPolarHBondContact OE2-CE1 3.41Å; E63-F258 WeakPolarHBondContact OE2-CZ 3.28Å; E63-L524 HydrophobicContact CG-CB 4.48Å; E63-L524 HydrophobicContact CG-CD1 4.21Å; E63-L524 WeakPolarHBondContact OE1-CB 3.39Å; E63-L525 PolarHBondContact OE1-N 3.21Å |
| 64 | G | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -51 | -64.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M59 L60 L67 F68 I257 | M59-G64 PolarHBondContact O-N 3.34Å; L60-G64 CarbonylContact O-C 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 2.94Å; G64-L67 PolarHBondContact O-N 3.3Å; G64-F68 VanDerWaalsContact O-CB 3.25Å; G64-F68 WeakPolarHBondContact O-CB 2.99Å; G64-F68 PolarHBondContact O-N 3.07Å; G64-I257 VanDerWaalsContact CA-CG2 3.44Å |
| 65 | V | 97.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 10% | 0.097 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | -176.6 | -175.1 | 0 | 0 | 0 | 0 | 112 | L60 E63 L67 F68 Y69 I286 W513 | L60-V65 HydrophobicContact CD1-CG2 4Å; L60-V65 HydrophobicContact CG-CG2 4.15Å; L60-V65 WeakPolarHBondContact O-CG2 3.47Å; L60-V65 PolarHBondContact O-N 3.46Å; E63-V65 PolarHBondContact O-N 3.43Å; V65-L67 PolarHBondContact O-N 3.14Å; V65-F68 PolarHBondContact O-N 3.47Å; V65-Y69 WeakPolarHBondContact O-CB 3.29Å; V65-Y69 PolarHBondContact O-N 2.83Å; V65-I286 HydrophobicContact CG1-CG1 4.25Å; V65-W513 HydrophobicContact CG1-CH2 3.64Å; V65-W513 HydrophobicContact CG1-CZ3 3.92Å |
| 66 | P | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 177.3 | -26.2 | 35.7 | 0 | 0 | 0 | 113.6 | L61 E63 L70 F512 W513 M516 W517 | L61-P66 WeakPolarHBondContact O-CD 3.31Å; L61-P66 WeakPolarHBondContact O-CG 3.47Å; E63-P66 WeakPolarHBondContact O-CD 3.3Å; P66-L70 WeakPolarHBondContact O-CB 3.16Å; P66-L70 PolarHBondContact O-N 3.46Å; P66-L70 VanDerWaalsContact O-N 3.1Å; P66-F512 HydrophobicContact CG-CE1 4.42Å; P66-W513 HydrophobicContact CB-CE3 4.33Å; P66-W513 HydrophobicContact CB-CZ3 4.35Å; P66-W513 HydrophobicContact CG-CE3 4.41Å; P66-W513 HydrophobicContact CG-CZ3 4.16Å; P66-M516 HydrophobicContact CB-CB 3.76Å; P66-M516 HydrophobicContact CB-CG 4.21Å; P66-M516 HydrophobicContact CG-CB 3.82Å; P66-M516 HydrophobicContact CG-CG 3.7Å; P66-M516 HydrophobicContact CG-SD 4.43Å; P66-W517 PolarHBondContact O-NE1 2.89Å |
| 67 | L | 97.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | -179.1 | -63.5 | 172.8 | 0 | 0 | 0 | 111.7 | E63 G64 V65 Y69 L70 E71 F258 L263 V481 V485 | E63-L67 HydrophobicContact CB-CD1 3.93Å; E63-L67 WeakPolarHBondContact O-CB 3.34Å; E63-L67 WeakPolarHBondContact O-CD1 3.4Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; E63-L67 PolarHBondContact O-N 2.88Å; G64-L67 PolarHBondContact O-N 3.3Å; V65-L67 PolarHBondContact O-N 3.14Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 2.79Å; L67-L70 WeakPolarHBondContact O-CB 3.42Å; L67-L70 PolarHBondContact O-N 2.82Å; L67-L70 VanDerWaalsContact O-N 3.12Å; L67-E71 PolarHBondContact O-N 2.87Å; L67-F258 HydrophobicContact CD1-CE1 4.02Å; L67-F258 HydrophobicContact CD1-CZ 4.4Å; L67-L263 HydrophobicContact CB-CD1 3.83Å; L67-L263 HydrophobicContact CB-CD2 4.09Å; L67-L263 HydrophobicContact CD1-CD1 4.08Å; L67-V481 HydrophobicContact CD1-CG1 3.48Å; L67-V481 VanDerWaalsContact CD1-CG1 3.48Å; L67-V481 HydrophobicContact CD2-CG1 4.04Å; L67-V481 HydrophobicContact CG-CG1 4.3Å; L67-V485 HydrophobicContact CD2-CB 4.48Å; L67-V485 HydrophobicContact CD2-CG2 3.02Å |
| 68 | F | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 175.4 | -163.7 | -86 | 0 | 0 | 0 | 111.3 | G64 V65 L70 E71 L72 L261 L263 L268 A285 V288 | G64-F68 VanDerWaalsContact O-CB 3.25Å; G64-F68 WeakPolarHBondContact O-CB 2.99Å; G64-F68 PolarHBondContact O-N 3.07Å; V65-F68 PolarHBondContact O-N 3.47Å; F68-L70 VanDerWaalsContact C-N 3.31Å; F68-L70 PolarHBondContact O-N 2.74Å; F68-E71 PolarHBondContact O-N 3.35Å; F68-L72 HydrophobicContact CD1-CD1 3.95Å; F68-L72 HydrophobicContact CD1-CG 4.01Å; F68-L72 HydrophobicContact CE1-CD1 3.57Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.89Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 3.34Å; F68-L72 VanDerWaalsContact O-N 3.11Å; F68-L261 HydrophobicContact CD2-CB 3.97Å; F68-L261 HydrophobicContact CD2-CD1 4.49Å; F68-L261 HydrophobicContact CD2-CD2 4.31Å; F68-L261 HydrophobicContact CD2-CG 4.49Å; F68-L261 HydrophobicContact CE2-CB 4.38Å; F68-L261 HydrophobicContact CE2-CD2 4.47Å; F68-L261 WeakPolarHBondContact CE2-O 3.16Å; F68-L263 HydrophobicContact CB-CD2 3.95Å; F68-L263 HydrophobicContact CD2-CD2 4.01Å; F68-L263 HydrophobicContact CG-CD2 4.43Å; F68-L268 HydrophobicContact CD2-CD1 3.38Å; F68-L268 HydrophobicContact CD2-CD2 4.39Å; F68-L268 HydrophobicContact CE2-CD1 3.36Å; F68-L268 HydrophobicContact CE2-CD2 3.51Å; F68-L268 HydrophobicContact CE2-CG 4.07Å; F68-L268 HydrophobicContact CG-CD1 4.19Å; F68-L268 HydrophobicContact CZ-CD1 4.14Å; F68-L268 HydrophobicContact CZ-CD2 3.69Å; F68-A285 HydrophobicContact CD1-CB 3.74Å; F68-A285 HydrophobicContact CE1-CB 4.34Å; F68-V288 HydrophobicContact CE1-CB 4.18Å; F68-V288 HydrophobicContact CE1-CG1 4.25Å; F68-V288 HydrophobicContact CE2-CG1 4.35Å; F68-V288 HydrophobicContact CZ-CB 4.12Å; F68-V288 HydrophobicContact CZ-CG1 3.68Å |
| 69 | Y | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 173.9 | -178.3 | -71.6 | 0 | 0 | 0 | 111.6 | V65 L67 L72 A73 F281 E282 A285 I501 W513 W517 | V65-Y69 WeakPolarHBondContact O-CB 3.29Å; V65-Y69 PolarHBondContact O-N 2.83Å; L67-Y69 VanDerWaalsContact C-N 3.32Å; L67-Y69 PolarHBondContact O-N 2.79Å; Y69-L72 PolarHBondContact O-N 2.98Å; Y69-A73 HydrophobicContact CD1-CB 4.42Å; Y69-A73 HydrophobicContact CE1-CB 4.31Å; Y69-A73 WeakPolarHBondContact O-CB 3.47Å; Y69-A73 PolarHBondContact O-N 2.8Å; Y69-F281 HydrophobicContact CD1-CE2 4.26Å; Y69-F281 HydrophobicContact CE1-CD2 4.45Å; Y69-F281 AromaticContact CE1-CE2 3.66Å; Y69-F281 HydrophobicContact CE1-CE2 3.66Å; Y69-F281 HydrophobicContact CE2-CD2 4.44Å; Y69-F281 HydrophobicContact CE2-CE2 4.13Å; Y69-F281 AromaticContact CZ-CE2 3.6Å; Y69-E282 HydrophobicContact CD2-CB 4.15Å; Y69-E282 HydrophobicContact CD2-CG 4.22Å; Y69-E282 HydrophobicContact CE2-CB 3.4Å; Y69-E282 HydrophobicContact CE2-CG 3.53Å; Y69-E282 PolarHBondContact OH-OE2 3.42Å; Y69-A285 HydrophobicContact CD2-CB 4.38Å; Y69-I501 HydrophobicContact CE1-CD1 3.8Å; Y69-I501 HydrophobicContact CE1-CG1 4.48Å; Y69-I501 WeakPolarHBondContact OH-CG2 3.43Å; Y69-W513 HydrophobicContact CD2-CZ2 4.45Å; Y69-W517 AromaticContact CD1-CH2 3.38Å; Y69-W517 HydrophobicContact CD1-CH2 3.38Å; Y69-W517 AromaticContact CD1-CZ2 3.16Å; Y69-W517 HydrophobicContact CD1-CZ2 3.16Å; Y69-W517 AromaticContact CE1-CH2 3.28Å; Y69-W517 HydrophobicContact CE1-CH2 3.28Å; Y69-W517 AromaticContact CE1-CZ2 3.63Å; Y69-W517 HydrophobicContact CE1-CZ2 3.63Å; Y69-W517 HydrophobicContact CE1-CZ3 4.46Å; Y69-W517 HydrophobicContact CG-CH2 4.36Å; Y69-W517 AromaticContact CG-CZ2 3.87Å; Y69-W517 HydrophobicContact CG-CZ2 3.87Å |
| 70 | L | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | -177.1 | -178.5 | 157.5 | 0 | 0 | 0 | 111.3 | P66 L67 F68 A73 I74 V488 F497 W517 | P66-L70 WeakPolarHBondContact O-CB 3.16Å; P66-L70 PolarHBondContact O-N 3.46Å; P66-L70 VanDerWaalsContact O-N 3.1Å; L67-L70 WeakPolarHBondContact O-CB 3.42Å; L67-L70 PolarHBondContact O-N 2.82Å; L67-L70 VanDerWaalsContact O-N 3.12Å; F68-L70 VanDerWaalsContact C-N 3.31Å; F68-L70 PolarHBondContact O-N 2.74Å; L70-A73 PolarHBondContact O-N 3.01Å; L70-I74 HydrophobicContact CD2-CG1 4.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.38Å; L70-V488 HydrophobicContact CD1-CB 4.07Å; L70-V488 HydrophobicContact CD1-CG1 4.15Å; L70-V488 HydrophobicContact CD1-CG2 4.4Å; L70-V488 HydrophobicContact CD2-CB 4.41Å; L70-V488 HydrophobicContact CD2-CG2 3.83Å; L70-V488 HydrophobicContact CG-CB 4.4Å; L70-V488 HydrophobicContact CG-CG1 4.31Å; L70-V488 HydrophobicContact CG-CG2 4.28Å; L70-F497 HydrophobicContact CG-CZ 4.36Å; L70-W517 HydrophobicContact CD1-CD2 4.43Å; L70-W517 HydrophobicContact CD1-CG 4.06Å |
| 71 | E | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.5 | -79.6 | -167.4 | -130 | 0 | 0 | 112.6 | L67 F68 A73 I74 G75 L263 G264 L268 I269 | L67-E71 PolarHBondContact O-N 2.87Å; F68-E71 PolarHBondContact O-N 3.35Å; E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 3.45Å; E71-I74 PolarHBondContact O-N 3.43Å; E71-G75 PolarHBondContact O-N 2.95Å; E71-L263 VanDerWaalsContact OE1-CA 3.28Å; E71-L263 WeakPolarHBondContact OE1-CA 3.35Å; E71-G264 PolarHBondContact OE1-N 3.37Å; E71-L268 HydrophobicContact CB-CB 4.21Å; E71-I269 HydrophobicContact CB-CG1 4.03Å; E71-I269 HydrophobicContact CG-CD1 4.39Å; E71-I269 HydrophobicContact CG-CG1 4.13Å |
| 72 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.1 | -66.9 | -161.4 | 0 | 0 | 0 | 111.8 | F23 F68 Y69 G75 Q76 L268 A272 F281 A285 | F23-L72 HydrophobicContact CE1-CD1 4.28Å; F23-L72 HydrophobicContact CZ-CD1 4.03Å; F23-L72 HydrophobicContact CZ-CD2 3.98Å; F68-L72 HydrophobicContact CD1-CD1 3.95Å; F68-L72 HydrophobicContact CD1-CG 4.01Å; F68-L72 HydrophobicContact CE1-CD1 3.57Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.89Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 3.34Å; F68-L72 VanDerWaalsContact O-N 3.11Å; Y69-L72 PolarHBondContact O-N 2.98Å; L72-G75 PolarHBondContact O-N 2.63Å; L72-Q76 WeakPolarHBondContact O-CB 3.25Å; L72-Q76 PolarHBondContact O-N 2.97Å; L72-L268 HydrophobicContact CD2-CB 3.96Å; L72-A272 HydrophobicContact CB-CB 4.4Å; L72-A272 HydrophobicContact CD2-CB 4.01Å; L72-A272 WeakPolarHBondContact O-CB 3.33Å; L72-F281 HydrophobicContact CB-CB 4.13Å; L72-F281 HydrophobicContact CB-CD2 4.45Å; L72-F281 HydrophobicContact CD1-CB 4.38Å; L72-A285 HydrophobicContact CD1-CB 4.17Å |
| 73 | A | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y69 L70 E71 K77 F281 F497 | Y69-A73 HydrophobicContact CD1-CB 4.42Å; Y69-A73 HydrophobicContact CE1-CB 4.31Å; Y69-A73 WeakPolarHBondContact O-CB 3.47Å; Y69-A73 PolarHBondContact O-N 2.8Å; L70-A73 PolarHBondContact O-N 3.01Å; E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 3.45Å; A73-K77 VanDerWaalsContact O-CB 3.27Å; A73-K77 WeakPolarHBondContact O-CB 3.38Å; A73-K77 PolarHBondContact O-N 3.4Å; A73-F281 HydrophobicContact CB-CD2 4.05Å; A73-F281 HydrophobicContact CB-CE2 3.44Å; A73-F281 VanDerWaalsContact CB-CE2 3.44Å; A73-F281 HydrophobicContact CB-CZ 3.79Å; A73-F497 HydrophobicContact CB-CE2 3.92Å; A73-F497 HydrophobicContact CB-CZ 3.63Å |
| 74 | I | 97 | Very high | 96.3 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 178.2 | -68.6 | -64.5 | 0 | 0 | 0 | 111.1 | L70 E71 Q76 K77 M78 A85 I89 V488 F497 | L70-I74 HydrophobicContact CD2-CG1 4.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.38Å; E71-I74 PolarHBondContact O-N 3.43Å; I74-Q76 PolarHBondContact O-N 3.29Å; I74-K77 PolarHBondContact O-N 2.68Å; I74-M78 HydrophobicContact CG2-CG 4.19Å; I74-M78 WeakPolarHBondContact O-CB 3.43Å; I74-M78 VanDerWaalsContact O-CG 3.29Å; I74-M78 WeakPolarHBondContact O-CG 3.4Å; I74-M78 PolarHBondContact O-N 3.01Å; I74-A85 HydrophobicContact CG2-CB 4.16Å; I74-I89 HydrophobicContact CD1-CD1 4.18Å; I74-V488 HydrophobicContact CD1-CG1 4.4Å; I74-V488 HydrophobicContact CD1-CG2 3.78Å; I74-V488 HydrophobicContact CG1-CG2 3.9Å; I74-F497 HydrophobicContact CD1-CD2 4.04Å; I74-F497 HydrophobicContact CD1-CE2 3.56Å; I74-F497 HydrophobicContact CD1-CZ 4.42Å; I74-F497 HydrophobicContact CG1-CE2 4.01Å; I74-F497 HydrophobicContact CG1-CZ 4.47Å |
| 75 | G | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E71 L72 R79 I269 S273 | E71-G75 PolarHBondContact O-N 2.95Å; L72-G75 PolarHBondContact O-N 2.63Å; G75-R79 PolarHBondContact O-N 3.2Å; G75-I269 WeakPolarHBondContact CA-O 3.46Å; G75-S273 VanDerWaalsContact O-CA 3.27Å; G75-S273 WeakPolarHBondContact O-CA 3.47Å |
| 76 | Q | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 179.3 | -172.8 | 168.5 | -53 | 0 | 0 | 112.2 | L72 I74 R79 A272 N275 Q276 Y277 N279 M504 | L72-Q76 WeakPolarHBondContact O-CB 3.25Å; L72-Q76 PolarHBondContact O-N 2.97Å; I74-Q76 PolarHBondContact O-N 3.29Å; Q76-R79 WeakPolarHBondContact O-CG 3.38Å; Q76-A272 WeakPolarHBondContact CA-O 3.47Å; Q76-A272 HydrophobicContact CB-CB 4.44Å; Q76-N275 HydrophobicContact CG-CB 4.17Å; Q76-N275 PolarHBondContact OE1-ND2 3.29Å; Q76-Q276 PolarHBondContact NE2-O 2.89Å; Q76-Y277 PolarHBondContact NE2-O 3.13Å; Q76-N279 PolarHBondContact NE2-O 2.93Å; Q76-N279 PolarHBondContact OE1-ND2 3.4Å; Q76-N279 PolarHBondContact OE1-O 3.32Å; Q76-M504 HydrophobicContact CB-SD 4.36Å; Q76-M504 HydrophobicContact CG-SD 4.14Å |
| 77 | K | 95.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 15.7 Ų | 15.7 | 21% | 0.213 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.4 | -47.3 | 179.5 | -178 | 63 | -178.1 | -159 | 0 | 112.5 | A73 I74 Y277 D500 M504 | A73-K77 VanDerWaalsContact O-CB 3.27Å; A73-K77 WeakPolarHBondContact O-CB 3.38Å; A73-K77 PolarHBondContact O-N 3.4Å; I74-K77 PolarHBondContact O-N 2.68Å; K77-Y277 HydrophobicContact CD-CE2 4.26Å; K77-Y277 PolarHBondContact NZ-OH 2.99Å; K77-D500 HydrophobicContact CD-CB 4.07Å; K77-D500 WeakPolarHBondContact CE-OD1 3.34Å; K77-D500 HydrophobicContact CG-CB 4.35Å; K77-D500 IonicContact NZ-OD1 3.54Å; K77-D500 PolarHBondContact NZ-OD1 3.24Å; K77-M504 HydrophobicContact CB-CE 3.86Å; K77-M504 HydrophobicContact CB-SD 3.81Å; K77-M504 HydrophobicContact CD-CE 4.31Å; K77-M504 HydrophobicContact CD-CG 4.5Å; K77-M504 HydrophobicContact CD-SD 4.04Å |
| 78 | M | 94.6 | Very high | 96 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -79 | -28.8 | -172.3 | -63.4 | -61.6 | 170.5 | 0 | 0 | 112.2 | I74 L80 A85 A88 I89 Y492 | I74-M78 HydrophobicContact CG2-CG 4.19Å; I74-M78 WeakPolarHBondContact O-CB 3.43Å; I74-M78 VanDerWaalsContact O-CG 3.29Å; I74-M78 WeakPolarHBondContact O-CG 3.4Å; I74-M78 PolarHBondContact O-N 3.01Å; M78-L80 HydrophobicContact CB-CB 4.45Å; M78-L80 WeakPolarHBondContact O-CG 3.35Å; M78-L80 PolarHBondContact O-N 3.4Å; M78-A85 HydrophobicContact CB-CB 4Å; M78-A85 HydrophobicContact CG-CB 4.1Å; M78-A88 HydrophobicContact SD-CB 4.1Å; M78-I89 HydrophobicContact CE-CD1 4.27Å; M78-I89 HydrophobicContact CE-CG1 3.68Å; M78-Y492 HydrophobicContact CE-CE2 4.3Å |
| 79 | R | 94.5 | Very high | 95.9 | Very high | 81 Ų | 81 | 19.5 Ų | 19.5 | 31% | 0.306 | 11% | 0.109 | S | C | . | . | trans | 49.7 | 38.2 | -173.7 | -56 | -158.6 | 74.2 | 179.9 | 3.4 | 112.9 | R14 N16 G75 Q76 S273 | R14-R79 PolarHBondContact NE-O 3.49Å; R14-R79 PolarHBondContact NH1-O 3.09Å; R14-R79 PolarHBondContact NH2-O 2.94Å; N16-R79 PolarHBondContact OD1-NH2 2.9Å; G75-R79 PolarHBondContact O-N 3.2Å; Q76-R79 WeakPolarHBondContact O-CG 3.38Å; R79-S273 PolarHBondContact NE-O 3.14Å | ||
| 80 | L | 93.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 20.6 Ų | 20.6 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -130 | 157.5 | 177.2 | -67.6 | 171 | 0 | 0 | 0 | 108.7 | M78 A88 D429 | M78-L80 HydrophobicContact CB-CB 4.45Å; M78-L80 WeakPolarHBondContact O-CG 3.35Å; M78-L80 PolarHBondContact O-N 3.4Å; L80-A88 HydrophobicContact CD1-CB 4.29Å; L80-D429 WeakPolarHBondContact CA-OD2 3.39Å |
| 81 | G | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -66.6 | 169.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I83 G84 A85 D429 | G81-I83 PolarHBondContact O-N 3.04Å; G81-G84 PolarHBondContact O-N 3.34Å; G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 3.33Å; G81-D429 PolarHBondContact N-OD2 2.95Å | ||
| 82 | S | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -47.8 | -52.2 | -173.8 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | G84 A85 W86 G97 P426 | S82-G84 VanDerWaalsContact C-N 3.34Å; S82-G84 PolarHBondContact O-N 3.32Å; S82-A85 PolarHBondContact O-N 2.66Å; S82-W86 PolarHBondContact O-N 3.09Å; S82-W86 VanDerWaalsContact O-N 3.08Å; S82-G97 PolarHBondContact OG-O 3.14Å; S82-P426 VanDerWaalsContact OG-CG 3.29Å; S82-P426 WeakPolarHBondContact OG-CG 3.34Å |
| 83 | I | 96.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 179.1 | -59.5 | 173.7 | 0 | 0 | 0 | 111.2 | G81 T87 L98 V101 P426 F430 | G81-I83 PolarHBondContact O-N 3.04Å; I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.41Å; I83-T87 PolarHBondContact O-N 3.44Å; I83-T87 VanDerWaalsContact O-N 3.09Å; I83-T87 PolarHBondContact O-OG1 2.71Å; I83-L98 HydrophobicContact CD1-CD1 4.2Å; I83-V101 HydrophobicContact CD1-CG2 4.07Å; I83-V101 HydrophobicContact CG1-CG2 4.27Å; I83-P426 HydrophobicContact CB-CB 4.16Å; I83-P426 HydrophobicContact CD1-CB 3.87Å; I83-P426 HydrophobicContact CG1-CB 3.91Å; I83-F430 HydrophobicContact CD1-CE2 4.29Å; I83-F430 HydrophobicContact CD1-CZ 4.3Å; I83-F430 HydrophobicContact CG2-CZ 4.46Å |
| 84 | G | 94.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 19% | 0.186 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G81 S82 T87 A88 | G81-G84 PolarHBondContact O-N 3.34Å; S82-G84 VanDerWaalsContact C-N 3.34Å; S82-G84 PolarHBondContact O-N 3.32Å; G84-T87 PolarHBondContact O-N 3.37Å; G84-A88 WeakPolarHBondContact O-CB 3.15Å; G84-A88 PolarHBondContact O-N 3.29Å |
| 85 | A | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -49.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I74 M78 G81 S82 A88 I89 I269 | I74-A85 HydrophobicContact CG2-CB 4.16Å; M78-A85 HydrophobicContact CB-CB 4Å; M78-A85 HydrophobicContact CG-CB 4.1Å; G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 3.33Å; S82-A85 PolarHBondContact O-N 2.66Å; A85-A88 PolarHBondContact O-N 3.43Å; A85-I89 PolarHBondContact O-N 3.46Å; A85-I269 HydrophobicContact CB-CG2 4.07Å |
| 86 | W | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -37.4 | 178.9 | -64.9 | 120.7 | 0 | 0 | 0 | 112.4 | S82 A88 I89 S90 L93 I96 I269 E484 V488 | S82-W86 PolarHBondContact O-N 3.09Å; S82-W86 VanDerWaalsContact O-N 3.08Å; W86-A88 VanDerWaalsContact C-N 3.31Å; W86-A88 PolarHBondContact O-N 3.4Å; W86-I89 HydrophobicContact CE3-CD1 3.73Å; W86-I89 HydrophobicContact CZ3-CD1 3.74Å; W86-I89 PolarHBondContact O-N 3.24Å; W86-S90 PolarHBondContact O-N 3.31Å; W86-S90 VanDerWaalsContact O-N 3.14Å; W86-S90 VanDerWaalsContact O-O 3.09Å; W86-L93 HydrophobicContact CB-CB 4.39Å; W86-L93 WeakPolarHBondContact CB-O 3.15Å; W86-I96 HydrophobicContact CB-CB 4.48Å; W86-I96 HydrophobicContact CD2-CB 4.4Å; W86-I96 HydrophobicContact CD2-CG2 4.15Å; W86-I96 HydrophobicContact CE3-CD1 4.43Å; W86-I96 HydrophobicContact CG-CB 4.04Å; W86-I96 HydrophobicContact CG-CG2 4.15Å; W86-I269 HydrophobicContact CZ2-CD1 3.87Å; W86-E484 HydrophobicContact CH2-CB 3.6Å; W86-E484 HydrophobicContact CH2-CG 3.75Å; W86-E484 HydrophobicContact CZ2-CB 3.67Å; W86-E484 VanDerWaalsContact CZ2-CD 3.47Å; W86-E484 HydrophobicContact CZ2-CG 3.28Å; W86-E484 WeakPolarHBondContact CZ2-OE1 3.48Å; W86-E484 HydrophobicContact CZ3-CB 4.5Å; W86-E484 PolarHBondContact NE1-OE1 2.92Å; W86-V488 HydrophobicContact CH2-CG2 3.86Å; W86-V488 HydrophobicContact CZ3-CG2 3.79Å |
| 87 | T | 95.5 | Very high | 95 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 34% | 0.344 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | I83 G84 S90 G94 | I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.41Å; I83-T87 PolarHBondContact O-N 3.44Å; I83-T87 VanDerWaalsContact O-N 3.09Å; I83-T87 PolarHBondContact O-OG1 2.71Å; G84-T87 PolarHBondContact O-N 3.37Å; T87-S90 CarbonylContact O-C 3.33Å; T87-S90 VanDerWaalsContact O-C 3.23Å; T87-G94 WeakPolarHBondContact OG1-CA 3.45Å |
| 88 | A | 93.9 | Very high | 95 | Very high | 62 Ų | 62 | 28.3 Ų | 28.3 | 51% | 0.512 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.5 | -32.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M78 L80 G84 A85 W86 | M78-A88 HydrophobicContact SD-CB 4.1Å; L80-A88 HydrophobicContact CD1-CB 4.29Å; G84-A88 WeakPolarHBondContact O-CB 3.15Å; G84-A88 PolarHBondContact O-N 3.29Å; A85-A88 PolarHBondContact O-N 3.43Å; W86-A88 VanDerWaalsContact C-N 3.31Å; W86-A88 PolarHBondContact O-N 3.4Å |
| 89 | I | 93.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -53.5 | 171.7 | -68.8 | 172 | 0 | 0 | 0 | 110.1 | I74 M78 A85 W86 L93 Y492 | I74-I89 HydrophobicContact CD1-CD1 4.18Å; M78-I89 HydrophobicContact CE-CD1 4.27Å; M78-I89 HydrophobicContact CE-CG1 3.68Å; A85-I89 PolarHBondContact O-N 3.46Å; W86-I89 HydrophobicContact CE3-CD1 3.73Å; W86-I89 HydrophobicContact CZ3-CD1 3.74Å; W86-I89 PolarHBondContact O-N 3.24Å; I89-L93 HydrophobicContact CG2-CD1 3.88Å; I89-Y492 HydrophobicContact CB-CD2 4.28Å; I89-Y492 HydrophobicContact CG1-CD2 3.98Å; I89-Y492 HydrophobicContact CG1-CE2 4.39Å; I89-Y492 HydrophobicContact CG1-CG 4.41Å; I89-Y492 HydrophobicContact CG2-CD2 3.85Å; I89-Y492 HydrophobicContact CG2-CG 4.2Å |
| 90 | S | 94.2 | Very high | 95.2 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | trans | -155.6 | 133.8 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | W86 T87 Y92 L93 | W86-S90 PolarHBondContact O-N 3.31Å; W86-S90 VanDerWaalsContact O-N 3.14Å; W86-S90 VanDerWaalsContact O-O 3.09Å; T87-S90 CarbonylContact O-C 3.33Å; T87-S90 VanDerWaalsContact O-C 3.23Å; S90-Y92 PolarHBondContact O-N 3.39Å; S90-L93 WeakPolarHBondContact O-CB 3.22Å; S90-L93 PolarHBondContact O-N 3.36Å | ||
| 91 | P | 92.9 | Very high | 95.3 | Very high | 49 Ų | 49 | 21 Ų | 21 | 32% | 0.318 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -59 | -21.2 | 179.9 | -31.1 | 40.4 | 0 | 0 | 0 | 115 | L93 I585 | P91-L93 VanDerWaalsContact C-N 3.31Å; P91-I585 HydrophobicContact CB-CG2 4.19Å |
| 92 | Y | 94.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 22.4 Ų | 22.4 | 30% | 0.302 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -76.1 | -17.2 | 176.2 | -64.4 | -77.3 | 0 | 0 | 0 | 113.5 | S90 A582 I585 F586 R589 | S90-Y92 PolarHBondContact O-N 3.39Å; Y92-A582 HydrophobicContact CD1-CB 4.45Å; Y92-A582 WeakPolarHBondContact CD1-O 3.29Å; Y92-I585 HydrophobicContact CD1-CB 4.08Å; Y92-I585 HydrophobicContact CD1-CG2 3.87Å; Y92-I585 HydrophobicContact CE1-CB 4.19Å; Y92-I585 HydrophobicContact CE1-CG2 3.76Å; Y92-I585 HydrophobicContact CG-CG2 4.43Å; Y92-F586 HydrophobicContact CE1-CB 3.94Å; Y92-R589 WeakPolarHBondContact OH-CD 3.37Å |
| 93 | L | 95.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -94.7 | -3.7 | -174.2 | -61.5 | 177.2 | 0 | 0 | 0 | 113.7 | W86 I89 S90 P91 G95 I96 S487 I491 | W86-L93 HydrophobicContact CB-CB 4.39Å; W86-L93 WeakPolarHBondContact CB-O 3.15Å; I89-L93 HydrophobicContact CG2-CD1 3.88Å; S90-L93 WeakPolarHBondContact O-CB 3.22Å; S90-L93 PolarHBondContact O-N 3.36Å; P91-L93 VanDerWaalsContact C-N 3.31Å; L93-G95 PolarHBondContact O-N 3.01Å; L93-I96 HydrophobicContact CB-CD1 4.17Å; L93-I96 HydrophobicContact CD2-CD1 4.06Å; L93-I96 WeakPolarHBondContact O-CB 3.49Å; L93-I96 WeakPolarHBondContact O-CG1 3.31Å; L93-I96 PolarHBondContact O-N 2.92Å; L93-S487 WeakPolarHBondContact CD1-OG 3.26Å; L93-I491 HydrophobicContact CD1-CB 4.5Å; L93-I491 HydrophobicContact CD1-CD1 4.07Å; L93-I491 HydrophobicContact CD1-CG2 4.15Å; L93-I491 HydrophobicContact CD2-CD1 3.87Å; L93-I491 HydrophobicContact CG-CD1 4.46Å |
| 94 | G | 94.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.2 | -23.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T87 I96 G97 L98 | T87-G94 WeakPolarHBondContact OG1-CA 3.45Å; G94-I96 VanDerWaalsContact C-N 3.27Å; G94-I96 PolarHBondContact O-N 3.37Å; G94-G97 PolarHBondContact O-N 2.98Å; G94-L98 PolarHBondContact O-N 3.48Å |
| 95 | G | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -24 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L93 L98 A99 C577 T581 | L93-G95 PolarHBondContact O-N 3.01Å; G95-L98 PolarHBondContact O-N 3.19Å; G95-A99 WeakPolarHBondContact O-CB 3.19Å; G95-A99 PolarHBondContact O-N 2.72Å; G95-C577 WeakPolarHBondContact CA-O 3.18Å; G95-T581 WeakPolarHBondContact CA-OG1 3.23Å |
| 96 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -52.8 | 174 | -61.6 | 175.5 | 0 | 0 | 0 | 109.3 | W86 L93 G94 L98 A99 S100 I480 F483 E484 S487 I578 | W86-I96 HydrophobicContact CB-CB 4.48Å; W86-I96 HydrophobicContact CD2-CB 4.4Å; W86-I96 HydrophobicContact CD2-CG2 4.15Å; W86-I96 HydrophobicContact CE3-CD1 4.43Å; W86-I96 HydrophobicContact CG-CB 4.04Å; W86-I96 HydrophobicContact CG-CG2 4.15Å; L93-I96 HydrophobicContact CB-CD1 4.17Å; L93-I96 HydrophobicContact CD2-CD1 4.06Å; L93-I96 WeakPolarHBondContact O-CB 3.49Å; L93-I96 WeakPolarHBondContact O-CG1 3.31Å; L93-I96 PolarHBondContact O-N 2.92Å; G94-I96 VanDerWaalsContact C-N 3.27Å; G94-I96 PolarHBondContact O-N 3.37Å; I96-L98 VanDerWaalsContact C-N 3.26Å; I96-L98 PolarHBondContact O-N 3.18Å; I96-A99 WeakPolarHBondContact O-CB 3.45Å; I96-A99 PolarHBondContact O-N 2.98Å; I96-S100 PolarHBondContact O-N 3.22Å; I96-S100 PolarHBondContact O-OG 2.68Å; I96-I480 HydrophobicContact CG2-CG2 4.19Å; I96-F483 HydrophobicContact CD1-CB 3.81Å; I96-F483 HydrophobicContact CG1-CB 4.11Å; I96-E484 HydrophobicContact CG2-CG 3.58Å; I96-S487 VanDerWaalsContact CD1-OG 3.31Å; I96-S487 WeakPolarHBondContact CD1-OG 3.37Å; I96-I578 HydrophobicContact CG1-CD1 4.39Å; I96-I578 HydrophobicContact CG1-CG1 4.39Å; I96-I578 HydrophobicContact CG1-CG2 4.44Å |
| 97 | G | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | S82 G94 S100 V101 | S82-G97 PolarHBondContact OG-O 3.14Å; G94-G97 PolarHBondContact O-N 2.98Å; G97-S100 WeakPolarHBondContact O-CB 3.47Å; G97-S100 PolarHBondContact O-N 3.29Å; G97-V101 WeakPolarHBondContact O-CG2 3.46Å; G97-V101 PolarHBondContact O-N 3.47Å |
| 98 | L | 96.2 | Very high | 94.5 | Very high | 67 Ų | 67 | 21.9 Ų | 21.9 | 35% | 0.351 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.2 | -175.7 | 62.8 | 0 | 0 | 0 | 111.3 | I83 G94 G95 I96 S100 V101 V102 C577 | I83-L98 HydrophobicContact CD1-CD1 4.2Å; G94-L98 PolarHBondContact O-N 3.48Å; G95-L98 PolarHBondContact O-N 3.19Å; I96-L98 VanDerWaalsContact C-N 3.26Å; I96-L98 PolarHBondContact O-N 3.18Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-V101 PolarHBondContact O-N 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.07Å; L98-V102 PolarHBondContact O-N 3.3Å; L98-C577 HydrophobicContact CB-CB 4.2Å; L98-C577 HydrophobicContact CD2-CB 4.08Å; L98-C577 HydrophobicContact CG-CB 4.08Å |
| 99 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G95 I96 V101 V102 T103 I480 S574 C577 I578 | G95-A99 WeakPolarHBondContact O-CB 3.19Å; G95-A99 PolarHBondContact O-N 2.72Å; I96-A99 WeakPolarHBondContact O-CB 3.45Å; I96-A99 PolarHBondContact O-N 2.98Å; A99-V101 PolarHBondContact O-N 3.28Å; A99-V102 PolarHBondContact O-N 3.19Å; A99-T103 WeakPolarHBondContact O-CB 3.3Å; A99-T103 PolarHBondContact O-N 2.95Å; A99-T103 PolarHBondContact O-OG1 3.41Å; A99-I480 HydrophobicContact CB-CD1 3.79Å; A99-I480 HydrophobicContact CB-CG1 3.85Å; A99-S574 VanDerWaalsContact CB-O 3.32Å; A99-S574 WeakPolarHBondContact CB-O 3.25Å; A99-S574 PolarHBondContact O-OG 3.42Å; A99-C577 HydrophobicContact CB-CB 4.05Å; A99-I578 HydrophobicContact CB-CG1 4.16Å |
| 100 | S | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.9 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | I96 G97 L98 S104 G264 F265 | I96-S100 PolarHBondContact O-N 3.22Å; I96-S100 PolarHBondContact O-OG 2.68Å; G97-S100 WeakPolarHBondContact O-CB 3.47Å; G97-S100 PolarHBondContact O-N 3.29Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.45Å; S100-S104 VanDerWaalsContact O-CB 3.31Å; S100-S104 WeakPolarHBondContact O-CB 3.3Å; S100-S104 PolarHBondContact O-N 2.96Å; S100-S104 PolarHBondContact O-OG 2.75Å; S100-G264 VanDerWaalsContact CB-O 3.28Å; S100-G264 WeakPolarHBondContact CB-O 3.47Å; S100-G264 PolarHBondContact OG-O 3.13Å; S100-F265 WeakPolarHBondContact CB-O 3.31Å |
| 101 | V | 95.6 | Very high | 94 | Very high | 18 Ų | 18 | 18.6 Ų | 18.6 | 11% | 0.109 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | I83 G97 L98 A99 S104 M105 I423 P426 | I83-V101 HydrophobicContact CD1-CG2 4.07Å; I83-V101 HydrophobicContact CG1-CG2 4.27Å; G97-V101 WeakPolarHBondContact O-CG2 3.46Å; G97-V101 PolarHBondContact O-N 3.47Å; L98-V101 PolarHBondContact O-N 3.24Å; A99-V101 PolarHBondContact O-N 3.28Å; V101-S104 PolarHBondContact O-N 3.31Å; V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 PolarHBondContact O-N 3.5Å; V101-I423 HydrophobicContact CG1-CG1 4.47Å; V101-I423 HydrophobicContact CG1-CG2 4.34Å; V101-P426 HydrophobicContact CG2-CB 4.14Å; V101-P426 HydrophobicContact CG2-CG 3.88Å |
| 102 | V | 95.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 16.3 Ų | 16.3 | 19% | 0.188 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L98 A99 S104 M105 Y106 | L98-V102 WeakPolarHBondContact O-CG2 3.07Å; L98-V102 PolarHBondContact O-N 3.3Å; A99-V102 PolarHBondContact O-N 3.19Å; V102-S104 PolarHBondContact O-N 3.5Å; V102-M105 WeakPolarHBondContact O-CB 3.31Å; V102-M105 PolarHBondContact O-N 3.43Å; V102-Y106 HydrophobicContact CG1-CE1 4.04Å; V102-Y106 HydrophobicContact CG1-CE2 3.82Å; V102-Y106 VanDerWaalsContact CG1-CZ 3.47Å; V102-Y106 WeakPolarHBondContact CG1-OH 3.34Å; V102-Y106 PolarHBondContact O-N 3.15Å; V102-Y106 VanDerWaalsContact O-N 3.11Å |
| 103 | T | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.3 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | A99 M105 Y106 L107 F265 A473 L477 S574 | A99-T103 WeakPolarHBondContact O-CB 3.3Å; A99-T103 PolarHBondContact O-N 2.95Å; A99-T103 PolarHBondContact O-OG1 3.41Å; T103-M105 VanDerWaalsContact C-N 3.28Å; T103-M105 PolarHBondContact O-N 3.03Å; T103-Y106 WeakPolarHBondContact O-CB 3.43Å; T103-Y106 PolarHBondContact O-N 3.03Å; T103-L107 WeakPolarHBondContact O-CD1 3.39Å; T103-L107 PolarHBondContact O-N 2.94Å; T103-F265 HydrophobicContact CG2-CD1 4.17Å; T103-F265 HydrophobicContact CG2-CE1 3.85Å; T103-A473 HydrophobicContact CG2-CB 3.73Å; T103-L477 HydrophobicContact CG2-CD2 4.25Å; T103-L477 HydrophobicContact CG2-CG 4.44Å; T103-S574 PolarHBondContact OG1-OG 2.82Å |
| 104 | S | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.2 | -33.3 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | S100 V101 V102 L107 C108 F265 | S100-S104 VanDerWaalsContact O-CB 3.31Å; S100-S104 WeakPolarHBondContact O-CB 3.3Å; S100-S104 PolarHBondContact O-N 2.96Å; S100-S104 PolarHBondContact O-OG 2.75Å; V101-S104 PolarHBondContact O-N 3.31Å; V102-S104 PolarHBondContact O-N 3.5Å; S104-L107 PolarHBondContact O-N 3.25Å; S104-C108 PolarHBondContact O-N 2.91Å; S104-C108 PolarHBondContact O-SG 3.37Å; S104-F265 PolarHBondContact OG-O 3.24Å |
| 105 | M | 93.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 11.7 Ų | 11.7 | 25% | 0.246 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.5 | -170.2 | 176.4 | -178.3 | 0 | 0 | 110.8 | V101 V102 T103 L107 C108 L109 I423 L448 L452 | V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 PolarHBondContact O-N 3.5Å; V102-M105 WeakPolarHBondContact O-CB 3.31Å; V102-M105 PolarHBondContact O-N 3.43Å; T103-M105 VanDerWaalsContact C-N 3.28Å; T103-M105 PolarHBondContact O-N 3.03Å; M105-L107 PolarHBondContact O-N 2.97Å; M105-C108 WeakPolarHBondContact O-CB 3.41Å; M105-C108 PolarHBondContact O-N 3.26Å; M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.45Å; M105-L109 VanDerWaalsContact O-N 3.13Å; M105-I423 HydrophobicContact CB-CD1 4.13Å; M105-L448 HydrophobicContact CE-CD2 4.22Å; M105-L448 HydrophobicContact CE-CG 4.49Å; M105-L452 HydrophobicContact CE-CD1 3.24Å |
| 106 | Y | 92.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 11.8 Ų | 11.8 | 13% | 0.125 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.5 | -48 | 174.7 | -60.4 | -20.6 | 0 | 0 | 0 | 111.9 | V102 T103 C108 L109 Y110 F468 L570 S573 | V102-Y106 HydrophobicContact CG1-CE1 4.04Å; V102-Y106 HydrophobicContact CG1-CE2 3.82Å; V102-Y106 VanDerWaalsContact CG1-CZ 3.47Å; V102-Y106 WeakPolarHBondContact CG1-OH 3.34Å; V102-Y106 PolarHBondContact O-N 3.15Å; V102-Y106 VanDerWaalsContact O-N 3.11Å; T103-Y106 WeakPolarHBondContact O-CB 3.43Å; T103-Y106 PolarHBondContact O-N 3.03Å; Y106-C108 PolarHBondContact O-N 3.15Å; Y106-L109 WeakPolarHBondContact O-CB 3.27Å; Y106-L109 PolarHBondContact O-N 3.25Å; Y106-Y110 WeakPolarHBondContact O-CD1 3.47Å; Y106-Y110 PolarHBondContact O-N 2.85Å; Y106-F468 HydrophobicContact CD1-CE1 4.07Å; Y106-F468 HydrophobicContact CG-CD1 4.5Å; Y106-F468 HydrophobicContact CG-CE1 4.36Å; Y106-L570 HydrophobicContact CE1-CD2 4.4Å; Y106-L570 HydrophobicContact CE2-CD2 4.24Å; Y106-S573 VanDerWaalsContact OH-CB 3.28Å; Y106-S573 WeakPolarHBondContact OH-CB 3.33Å; Y106-S573 PolarHBondContact OH-OG 3.39Å |
| 107 | L | 90.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 176 | -92 | 70.2 | 0 | 0 | 0 | 112.2 | T103 S104 M105 L109 Y110 Y111 F265 A473 | T103-L107 WeakPolarHBondContact O-CD1 3.39Å; T103-L107 PolarHBondContact O-N 2.94Å; S104-L107 PolarHBondContact O-N 3.25Å; M105-L107 PolarHBondContact O-N 2.97Å; L107-L109 PolarHBondContact O-N 2.9Å; L107-Y110 HydrophobicContact CB-CE1 4.44Å; L107-Y110 HydrophobicContact CD1-CE1 4.11Å; L107-Y110 HydrophobicContact CG-CE1 4.04Å; L107-Y110 PolarHBondContact O-N 3.48Å; L107-Y111 HydrophobicContact CB-CD2 4.12Å; L107-Y111 HydrophobicContact CB-CE2 4.42Å; L107-Y111 HydrophobicContact CD2-CD2 4.45Å; L107-Y111 HydrophobicContact CD2-CE2 3.98Å; L107-Y111 HydrophobicContact CG-CD2 4.01Å; L107-Y111 HydrophobicContact CG-CE2 3.81Å; L107-Y111 VanDerWaalsContact O-CB 3.24Å; L107-Y111 WeakPolarHBondContact O-CB 3.3Å; L107-Y111 WeakPolarHBondContact O-CD2 3.21Å; L107-Y111 PolarHBondContact O-N 3.25Å; L107-F265 HydrophobicContact CD1-CD1 4.49Å; L107-F265 HydrophobicContact CD1-CE1 3.53Å; L107-F265 HydrophobicContact CD1-CZ 4.09Å; L107-F265 HydrophobicContact CD2-CD1 4.12Å; L107-F265 HydrophobicContact CD2-CE1 3.37Å; L107-F265 HydrophobicContact CD2-CE2 4.24Å; L107-F265 HydrophobicContact CD2-CZ 3.41Å; L107-F265 VanDerWaalsContact CD2-CZ 3.41Å; L107-F265 HydrophobicContact CG-CE1 4.05Å; L107-F265 HydrophobicContact CG-CZ 4.39Å; L107-A473 HydrophobicContact CD1-CB 3.55Å |
| 108 | C | 92 | Very high | 94.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -55.3 | -37.7 | 178.5 | -76 | 0 | 0 | 0 | 0 | 112.7 | S104 M105 Y106 W187 M416 N419 I423 | S104-C108 PolarHBondContact O-N 2.91Å; S104-C108 PolarHBondContact O-SG 3.37Å; M105-C108 WeakPolarHBondContact O-CB 3.41Å; M105-C108 PolarHBondContact O-N 3.26Å; Y106-C108 PolarHBondContact O-N 3.15Å; C108-W187 HydrophobicContact CB-CH2 4.22Å; C108-W187 WeakPolarHBondContact O-CZ2 3.28Å; C108-M416 HydrophobicContact CB-CE 4.2Å; C108-N419 WeakPolarHBondContact SG-CB 3.44Å; C108-I423 HydrophobicContact CB-CD1 4.41Å |
| 109 | L | 90.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 7% | 0.068 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.4 | -47.2 | -177.4 | -66.9 | 175.8 | 0 | 0 | 0 | 112.3 | M105 Y106 L107 C449 L452 F456 F468 | M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.45Å; M105-L109 VanDerWaalsContact O-N 3.13Å; Y106-L109 WeakPolarHBondContact O-CB 3.27Å; Y106-L109 PolarHBondContact O-N 3.25Å; L107-L109 PolarHBondContact O-N 2.9Å; L109-C449 HydrophobicContact CD2-CB 4.2Å; L109-C449 VanDerWaalsContact CD2-O 3.31Å; L109-C449 WeakPolarHBondContact CD2-O 3.26Å; L109-L452 HydrophobicContact CD2-CB 3.57Å; L109-F456 HydrophobicContact CB-CE2 3.91Å; L109-F468 HydrophobicContact CD1-CE1 4.44Å |
| 110 | Y | 90.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -94.3 | -29.6 | -174.5 | 81 | -98.7 | 0 | 0 | 0 | 113.7 | Y106 L107 N112 I113 F465 F468 N469 | Y106-Y110 WeakPolarHBondContact O-CD1 3.47Å; Y106-Y110 PolarHBondContact O-N 2.85Å; L107-Y110 HydrophobicContact CB-CE1 4.44Å; L107-Y110 HydrophobicContact CD1-CE1 4.11Å; L107-Y110 HydrophobicContact CG-CE1 4.04Å; L107-Y110 PolarHBondContact O-N 3.48Å; Y110-N112 VanDerWaalsContact C-N 3.27Å; Y110-N112 PolarHBondContact O-N 3.43Å; Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 3.31Å; Y110-I113 VanDerWaalsContact O-N 3.12Å; Y110-F465 HydrophobicContact CD2-CD2 4.03Å; Y110-F465 AromaticContact CD2-CE2 3.55Å; Y110-F465 HydrophobicContact CD2-CE2 3.55Å; Y110-F465 HydrophobicContact CD2-CZ 4.09Å; Y110-F465 HydrophobicContact CE2-CE2 4.44Å; Y110-F465 HydrophobicContact CG-CD2 4.4Å; Y110-F465 HydrophobicContact CG-CE2 4.33Å; Y110-F465 WeakPolarHBondContact O-CE2 3.32Å; Y110-F468 HydrophobicContact CD1-CB 4.02Å; Y110-F468 HydrophobicContact CG-CB 4.41Å; Y110-N469 HydrophobicContact CD2-CB 4.45Å; Y110-N469 HydrophobicContact CE2-CB 3.98Å; Y110-N469 WeakPolarHBondContact CE2-OD1 3.25Å; Y110-N469 PolarHBondContact OH-OD1 3.33Å |
| 111 | Y | 90.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 11.6 Ų | 11.6 | 11% | 0.106 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 178.6 | -94.8 | -111.4 | 0 | 0 | 0 | 112.1 | L34 L107 I113 I114 N115 | L34-Y111 HydrophobicContact CD1-CD1 4.33Å; L107-Y111 HydrophobicContact CB-CD2 4.12Å; L107-Y111 HydrophobicContact CB-CE2 4.42Å; L107-Y111 HydrophobicContact CD2-CD2 4.45Å; L107-Y111 HydrophobicContact CD2-CE2 3.98Å; L107-Y111 HydrophobicContact CG-CD2 4.01Å; L107-Y111 HydrophobicContact CG-CE2 3.81Å; L107-Y111 VanDerWaalsContact O-CB 3.24Å; L107-Y111 WeakPolarHBondContact O-CB 3.3Å; L107-Y111 WeakPolarHBondContact O-CD2 3.21Å; L107-Y111 PolarHBondContact O-N 3.25Å; Y111-I113 PolarHBondContact O-N 3.43Å; Y111-I114 WeakPolarHBondContact O-CB 3.48Å; Y111-I114 PolarHBondContact O-N 3.26Å; Y111-I114 VanDerWaalsContact O-N 3.11Å; Y111-N115 PolarHBondContact O-N 2.93Å |
| 112 | N | 93.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -73.8 | -14.3 | -179.2 | -145.2 | 31.6 | 0 | 0 | 0 | 113.2 | Y110 I114 N115 A116 F183 W187 M416 | Y110-N112 VanDerWaalsContact C-N 3.27Å; Y110-N112 PolarHBondContact O-N 3.43Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-N115 PolarHBondContact O-N 3.05Å; N112-N115 PolarHBondContact OD1-ND2 3.41Å; N112-A116 PolarHBondContact O-N 2.95Å; N112-A116 VanDerWaalsContact O-N 3.09Å; N112-F183 HydrophobicContact CB-CE2 3.96Å; N112-W187 HydrophobicContact CB-CZ2 4.04Å; N112-W187 PolarHBondContact ND2-N 3.35Å; N112-W187 PolarHBondContact ND2-NE1 3.42Å; N112-M416 HydrophobicContact CB-CE 3.92Å; N112-M416 HydrophobicContact CB-SD 4.23Å |
| 113 | I | 95.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.2 | -35.6 | 169.1 | -64 | -71.3 | 0 | 0 | 0 | 110.7 | Y110 Y111 N115 A116 W117 F183 F456 T457 F465 | Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 3.31Å; Y110-I113 VanDerWaalsContact O-N 3.12Å; Y111-I113 PolarHBondContact O-N 3.43Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.87Å; I113-A116 VanDerWaalsContact O-CB 3.28Å; I113-A116 WeakPolarHBondContact O-CB 3.4Å; I113-A116 PolarHBondContact O-N 3.24Å; I113-A116 VanDerWaalsContact O-N 3.14Å; I113-W117 HydrophobicContact CG2-CD2 4.1Å; I113-W117 HydrophobicContact CG2-CE3 4.42Å; I113-W117 HydrophobicContact CG2-CH2 3.88Å; I113-W117 HydrophobicContact CG2-CZ2 3.51Å; I113-W117 HydrophobicContact CG2-CZ3 4.27Å; I113-W117 PolarHBondContact O-N 3.4Å; I113-F183 HydrophobicContact CD1-CD1 4.47Å; I113-F183 HydrophobicContact CD1-CD2 3.43Å; I113-F183 VanDerWaalsContact CD1-CD2 3.43Å; I113-F183 HydrophobicContact CD1-CE1 4.45Å; I113-F183 HydrophobicContact CD1-CE2 3.38Å; I113-F183 HydrophobicContact CD1-CG 3.97Å; I113-F183 HydrophobicContact CD1-CZ 3.92Å; I113-F183 HydrophobicContact CG1-CD2 4.16Å; I113-F183 HydrophobicContact CG1-CE2 3.78Å; I113-F183 HydrophobicContact CG1-CZ 4.45Å; I113-F456 HydrophobicContact CD1-CB 3.5Å; I113-F456 VanDerWaalsContact CD1-CB 3.5Å; I113-F456 HydrophobicContact CD1-CG 4.43Å; I113-F456 HydrophobicContact CG1-CB 3.56Å; I113-F456 HydrophobicContact CG1-CD2 4.22Å; I113-F456 HydrophobicContact CG1-CG 4.09Å; I113-T457 HydrophobicContact CD1-CG2 3.83Å; I113-F465 HydrophobicContact CB-CD2 4.36Å; I113-F465 HydrophobicContact CG2-CD2 4.3Å |
| 114 | I | 94.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 173.9 | -60 | 157.9 | 0 | 0 | 0 | 110.1 | L34 W38 Y111 N112 A116 W117 S118 F384 F465 | L34-I114 HydrophobicContact CD1-CB 4.03Å; L34-I114 HydrophobicContact CD1-CD1 3.96Å; L34-I114 HydrophobicContact CD1-CG2 3.57Å; L34-I114 HydrophobicContact CD2-CG2 4.17Å; L34-I114 HydrophobicContact CG-CG2 4.48Å; W38-I114 HydrophobicContact CH2-CB 4.09Å; W38-I114 HydrophobicContact CH2-CD1 3.45Å; W38-I114 VanDerWaalsContact CH2-CD1 3.45Å; W38-I114 HydrophobicContact CH2-CG1 3.71Å; W38-I114 HydrophobicContact CH2-CG2 3.31Å; W38-I114 HydrophobicContact CZ2-CD1 3.52Å; W38-I114 HydrophobicContact CZ2-CG1 4.27Å; W38-I114 HydrophobicContact CZ2-CG2 4.4Å; W38-I114 HydrophobicContact CZ3-CG2 3.66Å; Y111-I114 WeakPolarHBondContact O-CB 3.48Å; Y111-I114 PolarHBondContact O-N 3.26Å; Y111-I114 VanDerWaalsContact O-N 3.11Å; N112-I114 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 2.72Å; I114-W117 HydrophobicContact CG1-CE3 4.28Å; I114-W117 HydrophobicContact CG1-CZ3 4.23Å; I114-W117 PolarHBondContact O-N 3.47Å; I114-W117 VanDerWaalsContact O-N 3.12Å; I114-S118 PolarHBondContact O-N 2.95Å; I114-S118 PolarHBondContact O-OG 3.4Å; I114-F384 HydrophobicContact CG2-CE2 4.21Å; I114-F384 HydrophobicContact CG2-CZ 4.14Å; I114-F465 HydrophobicContact CD1-CE2 3.88Å; I114-F465 HydrophobicContact CD1-CZ 3.84Å; I114-F465 HydrophobicContact CG1-CE2 3.65Å; I114-F465 HydrophobicContact CG1-CZ 3.79Å |
| 115 | N | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -37.4 | 175.2 | -69.3 | -30.4 | 0 | 0 | 0 | 111.5 | Y111 N112 I113 S118 F119 A186 L409 G412 | Y111-N115 PolarHBondContact O-N 2.93Å; N112-N115 PolarHBondContact O-N 3.05Å; N112-N115 PolarHBondContact OD1-ND2 3.41Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.87Å; N115-S118 PolarHBondContact O-N 2.72Å; N115-F119 WeakPolarHBondContact O-CD2 3.4Å; N115-F119 PolarHBondContact O-N 3.34Å; N115-A186 HydrophobicContact CB-CB 3.97Å; N115-L409 HydrophobicContact CB-CD1 4.1Å; N115-G412 VanDerWaalsContact OD1-CA 3.28Å; N115-G412 WeakPolarHBondContact OD1-CA 3.42Å |
| 116 | A | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N112 I113 I114 S118 F119 W120 C182 F183 | N112-A116 PolarHBondContact O-N 2.95Å; N112-A116 VanDerWaalsContact O-N 3.09Å; I113-A116 VanDerWaalsContact O-CB 3.28Å; I113-A116 WeakPolarHBondContact O-CB 3.4Å; I113-A116 PolarHBondContact O-N 3.24Å; I113-A116 VanDerWaalsContact O-N 3.14Å; I114-A116 PolarHBondContact O-N 2.72Å; A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 3.33Å; A116-F119 PolarHBondContact O-N 2.91Å; A116-W120 PolarHBondContact O-N 3.19Å; A116-C182 HydrophobicContact CB-CB 4.04Å; A116-C182 WeakPolarHBondContact O-CB 3.29Å; A116-F183 HydrophobicContact CB-CB 3.87Å; A116-F183 HydrophobicContact CB-CD2 4.28Å |
| 117 | W | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 173.5 | -62.4 | -28.7 | 0 | 0 | 0 | 112 | I113 I114 F119 W120 Y121 L163 T380 F384 F465 | I113-W117 HydrophobicContact CG2-CD2 4.1Å; I113-W117 HydrophobicContact CG2-CE3 4.42Å; I113-W117 HydrophobicContact CG2-CH2 3.88Å; I113-W117 HydrophobicContact CG2-CZ2 3.51Å; I113-W117 HydrophobicContact CG2-CZ3 4.27Å; I113-W117 PolarHBondContact O-N 3.4Å; I114-W117 HydrophobicContact CG1-CE3 4.28Å; I114-W117 HydrophobicContact CG1-CZ3 4.23Å; I114-W117 PolarHBondContact O-N 3.47Å; I114-W117 VanDerWaalsContact O-N 3.12Å; W117-F119 PolarHBondContact O-N 3.48Å; W117-W120 WeakPolarHBondContact O-CB 3.46Å; W117-W120 PolarHBondContact O-N 3.27Å; W117-Y121 WeakPolarHBondContact O-CD2 3.34Å; W117-Y121 PolarHBondContact O-N 2.9Å; W117-L163 HydrophobicContact CZ2-CD2 3.65Å; W117-T380 HydrophobicContact CE3-CG2 4.15Å; W117-T380 HydrophobicContact CH2-CG2 4.19Å; W117-T380 HydrophobicContact CZ3-CG2 3.4Å; W117-T380 VanDerWaalsContact CZ3-CG2 3.4Å; W117-F384 HydrophobicContact CB-CD1 4.46Å; W117-F384 HydrophobicContact CB-CE1 3.72Å; W117-F384 HydrophobicContact CB-CE2 4.06Å; W117-F384 HydrophobicContact CB-CZ 3.49Å; W117-F384 VanDerWaalsContact CB-CZ 3.49Å; W117-F384 HydrophobicContact CE3-CD2 4.45Å; W117-F384 AromaticContact CE3-CE2 3.87Å; W117-F384 HydrophobicContact CE3-CE2 3.87Å; W117-F384 HydrophobicContact CE3-CZ 4.41Å; W117-F465 HydrophobicContact CH2-CB 4.47Å; W117-F465 AromaticContact CH2-CD1 3.94Å; W117-F465 HydrophobicContact CH2-CD1 3.94Å; W117-F465 AromaticContact CH2-CD2 3.97Å; W117-F465 HydrophobicContact CH2-CD2 3.97Å; W117-F465 HydrophobicContact CH2-CE1 4.19Å; W117-F465 HydrophobicContact CH2-CE2 4.18Å; W117-F465 AromaticContact CH2-CG 3.86Å; W117-F465 HydrophobicContact CH2-CG 3.86Å; W117-F465 HydrophobicContact CH2-CZ 4.31Å; W117-F465 HydrophobicContact CZ3-CD1 4.35Å; W117-F465 HydrophobicContact CZ3-CD2 4.25Å; W117-F465 HydrophobicContact CZ3-CE1 4.13Å; W117-F465 AromaticContact CZ3-CE2 3.99Å; W117-F465 HydrophobicContact CZ3-CE2 3.99Å; W117-F465 HydrophobicContact CZ3-CG 4.44Å; W117-F465 AromaticContact CZ3-CZ 3.96Å; W117-F465 HydrophobicContact CZ3-CZ 3.96Å |
| 118 | S | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | I114 N115 A116 L122 | I114-S118 PolarHBondContact O-N 2.95Å; I114-S118 PolarHBondContact O-OG 3.4Å; N115-S118 PolarHBondContact O-N 2.72Å; A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 3.33Å; S118-L122 WeakPolarHBondContact O-CB 3.29Å; S118-L122 PolarHBondContact O-N 2.85Å |
| 119 | F | 97.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 171.4 | -82.8 | -60.7 | 0 | 0 | 0 | 112 | N115 A116 W117 Y121 L122 F123 C182 L185 A186 I189 L409 M413 | N115-F119 WeakPolarHBondContact O-CD2 3.4Å; N115-F119 PolarHBondContact O-N 3.34Å; A116-F119 PolarHBondContact O-N 2.91Å; W117-F119 PolarHBondContact O-N 3.48Å; F119-Y121 PolarHBondContact O-N 3.45Å; F119-L122 PolarHBondContact O-N 3.21Å; F119-F123 HydrophobicContact CB-CE2 4Å; F119-F123 HydrophobicContact CB-CZ 4.31Å; F119-F123 HydrophobicContact CD1-CE1 4.28Å; F119-F123 HydrophobicContact CD1-CE2 4.33Å; F119-F123 AromaticContact CD1-CZ 3.8Å; F119-F123 HydrophobicContact CD1-CZ 3.8Å; F119-F123 HydrophobicContact CG-CZ 4.39Å; F119-F123 VanDerWaalsContact O-CD2 3.23Å; F119-F123 WeakPolarHBondContact O-CD2 3.31Å; F119-F123 VanDerWaalsContact O-CG 3.24Å; F119-F123 WeakPolarHBondContact O-CG 3.14Å; F119-F123 PolarHBondContact O-N 3.34Å; F119-C182 HydrophobicContact CB-CB 4.13Å; F119-L185 HydrophobicContact CD1-CD2 3.93Å; F119-L185 HydrophobicContact CD2-CD2 4.42Å; F119-L185 HydrophobicContact CE1-CD2 4.03Å; F119-L185 HydrophobicContact CE1-CG 4.5Å; F119-L185 HydrophobicContact CE2-CG 4.35Å; F119-L185 HydrophobicContact CG-CD2 4.16Å; F119-L185 HydrophobicContact CZ-CD2 4.36Å; F119-L185 HydrophobicContact CZ-CG 4.35Å; F119-A186 HydrophobicContact CD2-CB 4.12Å; F119-A186 HydrophobicContact CE2-CB 3.91Å; F119-I189 HydrophobicContact CE1-CD1 3.93Å; F119-I189 HydrophobicContact CE2-CD1 4.12Å; F119-I189 HydrophobicContact CZ-CD1 3.31Å; F119-L409 HydrophobicContact CD1-CD1 4.41Å; F119-L409 HydrophobicContact CD1-CD2 3.97Å; F119-L409 HydrophobicContact CD2-CD1 3.86Å; F119-L409 HydrophobicContact CE1-CD1 4.07Å; F119-L409 HydrophobicContact CE1-CD2 3.34Å; F119-L409 HydrophobicContact CE1-CG 4.34Å; F119-L409 HydrophobicContact CE2-CD1 3.46Å; F119-L409 VanDerWaalsContact CE2-CD1 3.46Å; F119-L409 HydrophobicContact CE2-CD2 4.27Å; F119-L409 HydrophobicContact CE2-CG 4.46Å; F119-L409 HydrophobicContact CG-CD1 4.29Å; F119-L409 HydrophobicContact CZ-CD1 3.55Å; F119-L409 HydrophobicContact CZ-CD2 3.49Å; F119-L409 VanDerWaalsContact CZ-CD2 3.49Å; F119-L409 HydrophobicContact CZ-CG 4.08Å; F119-M413 HydrophobicContact CE2-CE 3.63Å; F119-M413 HydrophobicContact CZ-CE 3.77Å |
| 120 | W | 97.8 | Very high | 95.5 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.1 | -51.4 | 178.6 | 179.5 | -97.3 | 0 | 0 | 0 | 111.4 | A116 W117 F123 H124 F157 T162 | A116-W120 PolarHBondContact O-N 3.19Å; W117-W120 WeakPolarHBondContact O-CB 3.46Å; W117-W120 PolarHBondContact O-N 3.27Å; W120-F123 PolarHBondContact O-N 2.67Å; W120-H124 AromaticContact CD2-CE1 3.67Å; W120-H124 AromaticContact CD2-ND1 3.89Å; W120-H124 AromaticContact CE2-CE1 3.37Å; W120-H124 AromaticContact CE2-ND1 3.79Å; W120-H124 AromaticContact CE3-CE1 3.96Å; W120-H124 AromaticContact CH2-CE1 3.74Å; W120-H124 AromaticContact CZ2-CE1 3.43Å; W120-H124 VanDerWaalsContact CZ2-CE1 3.43Å; W120-H124 WeakPolarHBondContact CZ2-CE1 3.39Å; W120-H124 AromaticContact CZ2-NE2 4Å; W120-H124 AromaticContact CZ3-CE1 3.98Å; W120-H124 AromaticContact NE1-CE1 3.86Å; W120-H124 AromaticContact NE1-ND1 3.89Å; W120-H124 PolarHBondContact O-N 3.12Å; W120-H124 PolarHBondContact O-ND1 3.44Å; W120-F157 AromaticContact NE1-CE1 3.99Å; W120-F157 AromaticContact NE1-CZ 3.7Å; W120-T162 HydrophobicContact CG-CG2 4.29Å; W120-T162 PolarHBondContact NE1-OG1 3.08Å; W120-T162 VanDerWaalsContact NE1-OG1 3.12Å |
| 121 | Y | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -38.3 | 177.6 | -86.3 | -102.6 | 0 | 0 | 0 | 112.8 | W117 F119 F123 H124 S125 W132 F157 F158 T162 F384 F405 | W117-Y121 WeakPolarHBondContact O-CD2 3.34Å; W117-Y121 PolarHBondContact O-N 2.9Å; F119-Y121 PolarHBondContact O-N 3.45Å; Y121-F123 PolarHBondContact O-N 3.1Å; Y121-H124 CarbonylContact O-C 3.26Å; Y121-H124 PolarHBondContact O-N 3.38Å; Y121-S125 PolarHBondContact O-N 3.35Å; Y121-S125 PolarHBondContact O-OG 3.29Å; Y121-W132 HydrophobicContact CD1-CD2 4.49Å; Y121-W132 AromaticContact CD1-CE3 3.98Å; Y121-W132 HydrophobicContact CD1-CE3 3.98Å; Y121-W132 AromaticContact CD1-CH2 3.67Å; Y121-W132 HydrophobicContact CD1-CH2 3.67Å; Y121-W132 HydrophobicContact CD1-CZ2 4.21Å; Y121-W132 AromaticContact CD1-CZ3 3.53Å; Y121-W132 HydrophobicContact CD1-CZ3 3.53Å; Y121-W132 HydrophobicContact CE1-CD2 4.32Å; Y121-W132 AromaticContact CE1-CE3 3.98Å; Y121-W132 HydrophobicContact CE1-CE3 3.98Å; Y121-W132 HydrophobicContact CE1-CH2 4.41Å; Y121-W132 HydrophobicContact CE1-CZ3 4.03Å; Y121-W132 HydrophobicContact CG-CZ3 4.34Å; Y121-F157 HydrophobicContact CD1-CE1 4.12Å; Y121-F157 HydrophobicContact CD2-CE1 4.4Å; Y121-F157 AromaticContact CE1-CD1 3.79Å; Y121-F157 HydrophobicContact CE1-CD1 3.79Å; Y121-F157 AromaticContact CE1-CE1 3.73Å; Y121-F157 HydrophobicContact CE1-CE1 3.73Å; Y121-F157 HydrophobicContact CE2-CD1 4.35Å; Y121-F157 HydrophobicContact CE2-CE1 4.02Å; Y121-F157 HydrophobicContact CG-CE1 4.46Å; Y121-F157 AromaticContact CZ-CD1 3.65Å; Y121-F157 AromaticContact CZ-CE1 3.69Å; Y121-F158 HydrophobicContact CE2-CD2 4.31Å; Y121-F158 WeakPolarHBondContact OH-CD2 3.47Å; Y121-T162 HydrophobicContact CE2-CG2 4.12Å; Y121-F384 HydrophobicContact CD1-CD1 4.47Å; Y121-F384 AromaticContact CD2-CD1 3.56Å; Y121-F384 HydrophobicContact CD2-CD1 3.56Å; Y121-F384 AromaticContact CD2-CE1 3.98Å; Y121-F384 HydrophobicContact CD2-CE1 3.98Å; Y121-F384 HydrophobicContact CE1-CD1 4.45Å; Y121-F384 HydrophobicContact CE2-CB 4.17Å; Y121-F384 AromaticContact CE2-CD1 3.56Å; Y121-F384 HydrophobicContact CE2-CD1 3.56Å; Y121-F384 HydrophobicContact CE2-CE1 4.34Å; Y121-F384 HydrophobicContact CE2-CG 4.18Å; Y121-F384 HydrophobicContact CG-CD1 4.03Å; Y121-F384 HydrophobicContact CG-CE1 4.45Å; Y121-F384 PolarHBondContact OH-O 3.41Å; Y121-F405 HydrophobicContact CD1-CD2 4.45Å; Y121-F405 AromaticContact CD1-CE1 3.76Å; Y121-F405 HydrophobicContact CD1-CE1 3.76Å; Y121-F405 AromaticContact CD1-CE2 3.6Å; Y121-F405 HydrophobicContact CD1-CE2 3.6Å; Y121-F405 AromaticContact CD1-CZ 3.19Å; Y121-F405 HydrophobicContact CD1-CZ 3.19Å; Y121-F405 AromaticContact CE1-CZ 3.95Å; Y121-F405 HydrophobicContact CE1-CZ 3.95Å; Y121-F405 HydrophobicContact CG-CD1 4.24Å; Y121-F405 AromaticContact CG-CE1 3.73Å; Y121-F405 HydrophobicContact CG-CE1 3.73Å; Y121-F405 HydrophobicContact CG-CE2 4.08Å; Y121-F405 AromaticContact CG-CZ 3.65Å; Y121-F405 HydrophobicContact CG-CZ 3.65Å |
| 122 | L | 97.8 | Very high | 96 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 177.2 | 179.7 | 60 | 0 | 0 | 0 | 111.3 | S118 F119 H124 S125 F126 V402 F405 F406 L409 | S118-L122 WeakPolarHBondContact O-CB 3.29Å; S118-L122 PolarHBondContact O-N 2.85Å; F119-L122 PolarHBondContact O-N 3.21Å; L122-H124 VanDerWaalsContact C-N 3.31Å; L122-H124 PolarHBondContact O-N 2.86Å; L122-S125 VanDerWaalsContact O-CB 3.31Å; L122-S125 WeakPolarHBondContact O-CB 3.34Å; L122-S125 PolarHBondContact O-N 3.05Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-F126 HydrophobicContact CD1-CE2 4.08Å; L122-F126 HydrophobicContact CD1-CZ 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.19Å; L122-F126 WeakPolarHBondContact O-CD2 3.49Å; L122-F126 VanDerWaalsContact O-CE2 3.28Å; L122-F126 WeakPolarHBondContact O-CE2 3.27Å; L122-V402 HydrophobicContact CD1-CB 4.48Å; L122-V402 HydrophobicContact CD1-CG1 4.1Å; L122-F405 HydrophobicContact CB-CB 4.12Å; L122-F405 HydrophobicContact CD1-CB 4.5Å; L122-F406 HydrophobicContact CD1-CB 4.27Å; L122-F406 HydrophobicContact CD2-CD2 4.22Å; L122-L409 HydrophobicContact CD2-CD2 4.29Å |
| 123 | F | 97.6 | Very high | 96 | Very high | 107 Ų | 107 | 36 Ų | 36 | 47% | 0.469 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.4 | -62 | -31.6 | 0 | 0 | 0 | 112.5 | F119 W120 Y121 S125 L185 | F119-F123 HydrophobicContact CB-CE2 4Å; F119-F123 HydrophobicContact CB-CZ 4.31Å; F119-F123 HydrophobicContact CD1-CE1 4.28Å; F119-F123 HydrophobicContact CD1-CE2 4.33Å; F119-F123 AromaticContact CD1-CZ 3.8Å; F119-F123 HydrophobicContact CD1-CZ 3.8Å; F119-F123 HydrophobicContact CG-CZ 4.39Å; F119-F123 VanDerWaalsContact O-CD2 3.23Å; F119-F123 WeakPolarHBondContact O-CD2 3.31Å; F119-F123 VanDerWaalsContact O-CG 3.24Å; F119-F123 WeakPolarHBondContact O-CG 3.14Å; F119-F123 PolarHBondContact O-N 3.34Å; W120-F123 PolarHBondContact O-N 2.67Å; Y121-F123 PolarHBondContact O-N 3.1Å; F123-S125 PolarHBondContact O-N 3.19Å; F123-L185 HydrophobicContact CE2-CD2 4.02Å; F123-L185 HydrophobicContact CZ-CD2 3.57Å |
| 124 | H | 97 | Very high | 95.9 | Very high | 41 Ų | 41 | 39 Ų | 39 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.9 | -13.1 | 176 | -75.2 | 90 | 0 | 0 | 0 | 113.8 | W120 Y121 L122 F126 P131 W132 F157 | W120-H124 AromaticContact CD2-CE1 3.67Å; W120-H124 AromaticContact CD2-ND1 3.89Å; W120-H124 AromaticContact CE2-CE1 3.37Å; W120-H124 AromaticContact CE2-ND1 3.79Å; W120-H124 AromaticContact CE3-CE1 3.96Å; W120-H124 AromaticContact CH2-CE1 3.74Å; W120-H124 AromaticContact CZ2-CE1 3.43Å; W120-H124 VanDerWaalsContact CZ2-CE1 3.43Å; W120-H124 WeakPolarHBondContact CZ2-CE1 3.39Å; W120-H124 AromaticContact CZ2-NE2 4Å; W120-H124 AromaticContact CZ3-CE1 3.98Å; W120-H124 AromaticContact NE1-CE1 3.86Å; W120-H124 AromaticContact NE1-ND1 3.89Å; W120-H124 PolarHBondContact O-N 3.12Å; W120-H124 PolarHBondContact O-ND1 3.44Å; Y121-H124 CarbonylContact O-C 3.26Å; Y121-H124 PolarHBondContact O-N 3.38Å; L122-H124 VanDerWaalsContact C-N 3.31Å; L122-H124 PolarHBondContact O-N 2.86Å; H124-F126 VanDerWaalsContact C-N 3.31Å; H124-F126 PolarHBondContact O-N 2.74Å; H124-P131 HydrophobicContact CB-CG 4.01Å; H124-P131 WeakPolarHBondContact O-CD 3.43Å; H124-W132 HydrophobicContact CB-CZ3 3.95Å; H124-F157 HydrophobicContact CB-CZ 4.3Å |
| 125 | S | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -16.1 | 179 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | Y121 L122 F123 Q127 S401 | Y121-S125 PolarHBondContact O-N 3.35Å; Y121-S125 PolarHBondContact O-OG 3.29Å; L122-S125 VanDerWaalsContact O-CB 3.31Å; L122-S125 WeakPolarHBondContact O-CB 3.34Å; L122-S125 PolarHBondContact O-N 3.05Å; L122-S125 VanDerWaalsContact O-N 3.11Å; F123-S125 PolarHBondContact O-N 3.19Å; S125-Q127 PolarHBondContact O-N 2.59Å; S125-S401 WeakPolarHBondContact CB-OG 3.32Å; S125-S401 PolarHBondContact OG-OG 3.2Å |
| 126 | F | 96.3 | Very high | 95.8 | Very high | 145 Ų | 145 | 43.2 Ų | 43.2 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 17.5 | -178.8 | -65.7 | -78.1 | 0 | 0 | 0 | 114 | L122 H124 V402 | L122-F126 HydrophobicContact CD1-CE2 4.08Å; L122-F126 HydrophobicContact CD1-CZ 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.19Å; L122-F126 WeakPolarHBondContact O-CD2 3.49Å; L122-F126 VanDerWaalsContact O-CE2 3.28Å; L122-F126 WeakPolarHBondContact O-CE2 3.27Å; H124-F126 VanDerWaalsContact C-N 3.31Å; H124-F126 PolarHBondContact O-N 2.74Å; F126-V402 HydrophobicContact CD1-CG2 4.24Å; F126-V402 HydrophobicContact CE1-CG1 4.3Å; F126-V402 HydrophobicContact CE1-CG2 3.9Å; F126-V402 HydrophobicContact CE2-CG2 4.47Å; F126-V402 HydrophobicContact CZ-CG1 4.09Å; F126-V402 HydrophobicContact CZ-CG2 4.03Å |
| 127 | Q | 93.8 | Very high | 95.6 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -96.8 | 150.7 | 178.2 | -59.9 | -172.2 | 19.5 | 0 | 0 | 111.6 | S125 V129 Q398 | S125-Q127 PolarHBondContact O-N 2.59Å; Q127-V129 WeakPolarHBondContact CB-O 3.45Å; Q127-V129 PolarHBondContact O-N 2.7Å; Q127-Q398 WeakPolarHBondContact O-CG 3.15Å |
| 128 | S | 89.9 | Confident | 95.3 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.1 | -25.8 | 179.6 | 59 | 0 | 0 | 0 | 0 | 113.4 | Q398 | S128-Q398 PolarHBondContact O-NE2 3.36Š|
| 129 | V | 93.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -127.9 | 130.3 | 169.1 | 179.6 | 0 | 0 | 0 | 0 | 106.3 | Q127 A133 | Q127-V129 WeakPolarHBondContact CB-O 3.45Å; Q127-V129 PolarHBondContact O-N 2.7Å; V129-A133 HydrophobicContact CG1-CB 4.01Å |
| 130 | L | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | trans | -63.8 | 135.8 | 178.8 | -66.4 | 175.1 | 0 | 0 | 0 | 109.8 | W132 A133 I391 Q398 | L130-W132 HydrophobicContact CB-CD2 4.35Å; L130-W132 HydrophobicContact CB-CZ2 4.32Å; L130-W132 HydrophobicContact CD1-CZ2 4.08Å; L130-W132 HydrophobicContact CD2-CH2 4.23Å; L130-W132 HydrophobicContact CD2-CZ2 3.87Å; L130-W132 HydrophobicContact CG-CZ2 4.32Å; L130-W132 PolarHBondContact O-N 3.26Å; L130-W132 VanDerWaalsContact O-N 3.1Å; L130-A133 HydrophobicContact CB-CB 4.28Å; L130-A133 WeakPolarHBondContact O-CB 3.45Å; L130-A133 PolarHBondContact O-N 3.47Å; L130-I391 HydrophobicContact CD1-CG2 4.24Å; L130-Q398 HydrophobicContact CD2-CG 4.26Å | ||
| 131 | P | 95.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 68 Ų | 68 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.6 | -177.6 | -31.3 | 39.9 | 0 | 0 | 0 | 115.1 | H124 F157 | H124-P131 HydrophobicContact CB-CG 4.01Å; H124-P131 WeakPolarHBondContact O-CD 3.43Å; P131-F157 HydrophobicContact CB-CD2 3.86Å; P131-F157 HydrophobicContact CB-CE2 3.45Å; P131-F157 VanDerWaalsContact CB-CE2 3.45Å; P131-F157 HydrophobicContact CB-CZ 4.16Å; P131-F157 HydrophobicContact CG-CE2 4.35Å |
| 132 | W | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.8 | 176.5 | 56.1 | 82.6 | 0 | 0 | 0 | 113.4 | Y121 H124 L130 P153 T154 F157 S401 F405 | Y121-W132 HydrophobicContact CD1-CD2 4.49Å; Y121-W132 AromaticContact CD1-CE3 3.98Å; Y121-W132 HydrophobicContact CD1-CE3 3.98Å; Y121-W132 AromaticContact CD1-CH2 3.67Å; Y121-W132 HydrophobicContact CD1-CH2 3.67Å; Y121-W132 HydrophobicContact CD1-CZ2 4.21Å; Y121-W132 AromaticContact CD1-CZ3 3.53Å; Y121-W132 HydrophobicContact CD1-CZ3 3.53Å; Y121-W132 HydrophobicContact CE1-CD2 4.32Å; Y121-W132 AromaticContact CE1-CE3 3.98Å; Y121-W132 HydrophobicContact CE1-CE3 3.98Å; Y121-W132 HydrophobicContact CE1-CH2 4.41Å; Y121-W132 HydrophobicContact CE1-CZ3 4.03Å; Y121-W132 HydrophobicContact CG-CZ3 4.34Å; H124-W132 HydrophobicContact CB-CZ3 3.95Å; L130-W132 HydrophobicContact CB-CD2 4.35Å; L130-W132 HydrophobicContact CB-CZ2 4.32Å; L130-W132 HydrophobicContact CD1-CZ2 4.08Å; L130-W132 HydrophobicContact CD2-CH2 4.23Å; L130-W132 HydrophobicContact CD2-CZ2 3.87Å; L130-W132 HydrophobicContact CG-CZ2 4.32Å; L130-W132 PolarHBondContact O-N 3.26Å; L130-W132 VanDerWaalsContact O-N 3.1Å; W132-P153 WeakPolarHBondContact O-CB 3.4Å; W132-T154 HydrophobicContact CB-CG2 3.94Å; W132-T154 HydrophobicContact CG-CG2 4.16Å; W132-F157 HydrophobicContact CB-CB 3.74Å; W132-F157 HydrophobicContact CB-CD1 4.21Å; W132-F157 HydrophobicContact CB-CG 3.91Å; W132-F157 HydrophobicContact CD2-CD1 4.41Å; W132-F157 AromaticContact CE3-CD1 3.66Å; W132-F157 HydrophobicContact CE3-CD1 3.66Å; W132-F157 HydrophobicContact CE3-CD2 4.48Å; W132-F157 AromaticContact CE3-CE1 3.46Å; W132-F157 HydrophobicContact CE3-CE1 3.46Å; W132-F157 VanDerWaalsContact CE3-CE1 3.46Å; W132-F157 HydrophobicContact CE3-CE2 4.32Å; W132-F157 HydrophobicContact CE3-CG 4.18Å; W132-F157 AromaticContact CE3-CZ 3.82Å; W132-F157 HydrophobicContact CE3-CZ 3.82Å; W132-F157 HydrophobicContact CZ3-CD1 4.43Å; W132-F157 AromaticContact CZ3-CE1 3.8Å; W132-F157 HydrophobicContact CZ3-CE1 3.8Å; W132-F157 HydrophobicContact CZ3-CZ 4.05Å; W132-S401 VanDerWaalsContact CZ2-OG 3.24Å; W132-S401 WeakPolarHBondContact CZ2-OG 3.34Å; W132-F405 HydrophobicContact CH2-CE2 4.03Å; W132-F405 AromaticContact CZ2-CE2 3.95Å; W132-F405 HydrophobicContact CZ2-CE2 3.95Å |
| 133 | A | 94.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 73.8 Ų | 73.8 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -74.1 | -36.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V129 L130 | V129-A133 HydrophobicContact CG1-CB 4.01Å; L130-A133 HydrophobicContact CB-CB 4.28Å; L130-A133 WeakPolarHBondContact O-CB 3.45Å; L130-A133 PolarHBondContact O-N 3.47Å |
| 134 | A | 93.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -143.2 | 157.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 135 | C | 93.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 72 Ų | 72 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 137.4 | 175.8 | -76.2 | 0 | 0 | 0 | 0 | 111.6 | P144 C148 | C135-P144 HydrophobicContact CB-CB 4.03Å; C135-C148 WeakPolarHBondContact CA-SG 3.31Å; C135-C148 HydrophobicContact CB-CB 3.76Å; C135-C148 WeakPolarHBondContact CB-SG 3.48Å; C135-C148 WeakPolarHBondContact SG-CB 3.43Å; C135-C148 PolarHBondContact SG-O 2.93Å; C135-C148 VanDerWaalsContact SG-O 3.4Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 3.33Å |
| 136 | P | 93.8 | Very high | 92.6 | Very high | 53 Ų | 53 | 77.9 Ų | 77.9 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 153.7 | 171.7 | 27.9 | -32.4 | 0 | 0 | 0 | 110.7 | M145 Y156 | P136-M145 HydrophobicContact CB-CG 4.49Å; P136-M145 HydrophobicContact CG-CB 4.37Å; P136-M145 HydrophobicContact CG-CG 3.99Å; P136-M145 WeakPolarHBondContact O-CG 3.28Å; P136-M145 PolarHBondContact O-N 3.21Å; P136-Y156 HydrophobicContact CG-CD1 4.22Å; P136-Y156 HydrophobicContact CG-CE1 3.62Å |
| 137 | V | 92.4 | Very high | 92.4 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 58% | 0.576 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 143.5 | 177.8 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | R141 G143 | V137-R141 HydrophobicContact CG1-CB 4.41Å; V137-G143 WeakPolarHBondContact CA-O 3.2Å; V137-G143 VanDerWaalsContact CG1-O 3.25Å; V137-G143 WeakPolarHBondContact CG1-O 3.41Å |
| 138 | N | 90.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.193 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 165.3 | 175.8 | 70.4 | 12.8 | 0 | 0 | 0 | 112.8 | N140 R141 T142 G143 M145 | N138-N140 PolarHBondContact O-N 3.15Å; N138-N140 VanDerWaalsContact O-N 3.12Å; N138-N140 PolarHBondContact OD1-N 2.9Å; N138-R141 PolarHBondContact O-N 3.45Å; N138-R141 WeakPolarHBondContact OD1-CA 3.48Å; N138-R141 PolarHBondContact OD1-N 3.33Å; N138-T142 PolarHBondContact ND2-OG1 3.21Å; N138-T142 PolarHBondContact OD1-N 3.08Å; N138-T142 PolarHBondContact OD1-OG1 3.18Å; N138-G143 VanDerWaalsContact CG-O 3.24Å; N138-G143 PolarHBondContact N-O 3.43Å; N138-G143 PolarHBondContact OD1-N 3.13Å; N138-G143 PolarHBondContact OD1-O 3.23Å; N138-M145 HydrophobicContact CB-SD 4.15Å |
| 139 | S | 88.7 | Confident | 92.5 | Very high | 110 Ų | 110 | 67.8 Ų | 67.8 | 77% | 0.769 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.4 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | R141 | S139-R141 VanDerWaalsContact C-N 3.29Š|
| 140 | N | 91.9 | Very high | 92.3 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 66% | 0.658 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.1 | -177.7 | -61.8 | -6.2 | 0 | 0 | 0 | 112.8 | N138 T142 | N138-N140 PolarHBondContact O-N 3.15Å; N138-N140 VanDerWaalsContact O-N 3.12Å; N138-N140 PolarHBondContact OD1-N 2.9Å; N140-T142 HydrophobicContact CB-CG2 4.16Å; N140-T142 PolarHBondContact O-N 3.11Å |
| 141 | R | 88 | Confident | 92 | Very high | 220 Ų | 220 | 68.6 Ų | 68.6 | 83% | 0.83 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 55.4 | 28 | -176.5 | -57.2 | -176.5 | 179.1 | -179 | -0.7 | 114.6 | V137 N138 S139 | V137-R141 HydrophobicContact CG1-CB 4.41Å; N138-R141 PolarHBondContact O-N 3.45Å; N138-R141 WeakPolarHBondContact OD1-CA 3.48Å; N138-R141 PolarHBondContact OD1-N 3.33Å; S139-R141 VanDerWaalsContact C-N 3.29Å |
| 142 | T | 90.7 | Very high | 91.8 | Very high | 115 Ų | 115 | 67.9 Ų | 67.9 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -98.6 | -19.6 | -177.3 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | N138 N140 | N138-T142 PolarHBondContact ND2-OG1 3.21Å; N138-T142 PolarHBondContact OD1-N 3.08Å; N138-T142 PolarHBondContact OD1-OG1 3.18Å; N140-T142 HydrophobicContact CB-CG2 4.16Å; N140-T142 PolarHBondContact O-N 3.11Å |
| 143 | G | 89.3 | Confident | 91.7 | Very high | 23 Ų | 23 | 69 Ų | 69 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -174.9 | -180 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V137 N138 | V137-G143 WeakPolarHBondContact CA-O 3.2Å; V137-G143 VanDerWaalsContact CG1-O 3.25Å; V137-G143 WeakPolarHBondContact CG1-O 3.41Å; N138-G143 VanDerWaalsContact CG-O 3.24Å; N138-G143 PolarHBondContact N-O 3.43Å; N138-G143 PolarHBondContact OD1-N 3.13Å; N138-G143 PolarHBondContact OD1-O 3.23Å |
| 144 | P | 90.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 158.9 | 174.7 | 29.3 | -34.9 | 0 | 0 | 0 | 111.3 | C135 E146 E149 | C135-P144 HydrophobicContact CB-CB 4.03Å; P144-E146 PolarHBondContact O-N 2.96Å; P144-E149 HydrophobicContact CG-CB 4.31Å; P144-E149 HydrophobicContact CG-CG 4.36Å |
| 145 | M | 92.5 | Very high | 91.7 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | trans | -62.3 | 125.8 | 168.7 | -78.1 | -71.6 | -70.5 | 0 | 0 | 110.5 | P136 N138 E147 C148 E149 | P136-M145 HydrophobicContact CB-CG 4.49Å; P136-M145 HydrophobicContact CG-CB 4.37Å; P136-M145 HydrophobicContact CG-CG 3.99Å; P136-M145 WeakPolarHBondContact O-CG 3.28Å; P136-M145 PolarHBondContact O-N 3.21Å; N138-M145 HydrophobicContact CB-SD 4.15Å; M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.29Å; M145-C148 HydrophobicContact CB-CB 4.08Å; M145-C148 WeakPolarHBondContact O-CA 3.35Å; M145-C148 WeakPolarHBondContact O-CB 3.34Å; M145-C148 PolarHBondContact O-N 3.42Å; M145-E149 PolarHBondContact O-N 2.85Å | ||
| 146 | E | 91.9 | Very high | 91.7 | Very high | 123 Ų | 123 | 66.1 Ų | 66.1 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.1 | -42 | -175.3 | -169.2 | -170.3 | 158.3 | 0 | 0 | 113.1 | P144 C148 E149 K150 | P144-E146 PolarHBondContact O-N 2.96Å; E146-C148 PolarHBondContact O-N 3.03Å; E146-E149 PolarHBondContact O-N 3.49Å; E146-K150 HydrophobicContact CG-CD 4.35Å; E146-K150 WeakPolarHBondContact O-CG 3.28Å; E146-K150 PolarHBondContact O-N 2.79Å; E146-K150 VanDerWaalsContact OE1-CE 3.3Å; E146-K150 WeakPolarHBondContact OE1-CE 3.4Å; E146-K150 IonicContact OE1-NZ 2.76Å; E146-K150 PolarHBondContact OE1-NZ 3.03Å |
| 147 | E | 92.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 175.8 | -178.9 | 177.2 | -169.8 | 0 | 0 | 111.6 | M145 A151 Y156 R160 W547 K549 | M145-E147 VanDerWaalsContact C-N 3.34Å; M145-E147 PolarHBondContact O-N 3.29Å; E147-A151 VanDerWaalsContact O-CB 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.32Å; E147-A151 PolarHBondContact O-N 3.26Å; E147-Y156 HydrophobicContact CB-CD2 4.24Å; E147-Y156 HydrophobicContact CB-CE2 4.23Å; E147-Y156 HydrophobicContact CG-CD2 4.03Å; E147-Y156 HydrophobicContact CG-CE2 4.29Å; E147-R160 IonicContact OE1-CZ 2.63Å; E147-R160 IonicContact OE1-NE 2.83Å; E147-R160 PolarHBondContact OE1-NE 2.99Å; E147-R160 IonicContact OE1-NH2 2.83Å; E147-R160 PolarHBondContact OE1-NH2 3.06Å; E147-R160 IonicContact OE2-CZ 3.88Å; E147-R160 IonicContact OE2-NE 3.25Å; E147-R160 PolarHBondContact OE2-NE 3.46Å; E147-R160 IonicContact OE2-NH2 2.97Å; E147-R160 PolarHBondContact OE2-NH2 2.84Å; E147-W547 PolarHBondContact OE1-NE1 3.2Å; E147-K549 HydrophobicContact CB-CG 4.38Å; E147-K549 HydrophobicContact CG-CG 4Å; E147-K549 VanDerWaalsContact OE2-CE 3.27Å; E147-K549 WeakPolarHBondContact OE2-CE 3.34Å |
| 148 | C | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76.5 | -37.5 | -179.8 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | C135 M145 E146 A151 Y156 | C135-C148 WeakPolarHBondContact CA-SG 3.31Å; C135-C148 HydrophobicContact CB-CB 3.76Å; C135-C148 WeakPolarHBondContact CB-SG 3.48Å; C135-C148 WeakPolarHBondContact SG-CB 3.43Å; C135-C148 PolarHBondContact SG-O 2.93Å; C135-C148 VanDerWaalsContact SG-O 3.4Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 3.33Å; M145-C148 HydrophobicContact CB-CB 4.08Å; M145-C148 WeakPolarHBondContact O-CA 3.35Å; M145-C148 WeakPolarHBondContact O-CB 3.34Å; M145-C148 PolarHBondContact O-N 3.42Å; E146-C148 PolarHBondContact O-N 3.03Å; C148-A151 CarbonylContact O-C 3.05Å; C148-A151 VanDerWaalsContact O-C 3.26Å; C148-A151 PolarHBondContact O-N 3.28Å; C148-Y156 HydrophobicContact CB-CD1 4.28Å; C148-Y156 HydrophobicContact CB-CD2 3.63Å; C148-Y156 HydrophobicContact CB-CE2 4.27Å; C148-Y156 HydrophobicContact CB-CG 3.65Å |
| 149 | E | 90.7 | Very high | 92.2 | Very high | 131 Ų | 131 | 59.2 Ų | 59.2 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 179.2 | -173.1 | 174.4 | -159.2 | 0 | 0 | 112.2 | P144 M145 E146 | P144-E149 HydrophobicContact CG-CB 4.31Å; P144-E149 HydrophobicContact CG-CG 4.36Å; M145-E149 PolarHBondContact O-N 2.85Å; E146-E149 PolarHBondContact O-N 3.49Å |
| 150 | K | 90.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.9 | -36.2 | 173.9 | -71.5 | 176 | 172.9 | 173.1 | 0 | 112.9 | E146 D550 | E146-K150 HydrophobicContact CG-CD 4.35Å; E146-K150 WeakPolarHBondContact O-CG 3.28Å; E146-K150 PolarHBondContact O-N 2.79Å; E146-K150 VanDerWaalsContact OE1-CE 3.3Å; E146-K150 WeakPolarHBondContact OE1-CE 3.4Å; E146-K150 IonicContact OE1-NZ 2.76Å; E146-K150 PolarHBondContact OE1-NZ 3.03Å; K150-D550 WeakPolarHBondContact CD-O 3.41Å; K150-D550 PolarHBondContact NZ-O 3.5Å |
| 151 | A | 90.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 55 Ų | 55 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -88.3 | -144.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E147 C148 Q155 W547 G552 | E147-A151 VanDerWaalsContact O-CB 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.32Å; E147-A151 PolarHBondContact O-N 3.26Å; C148-A151 CarbonylContact O-C 3.05Å; C148-A151 VanDerWaalsContact O-C 3.26Å; C148-A151 PolarHBondContact O-N 3.28Å; A151-Q155 HydrophobicContact CB-CB 4.18Å; A151-W547 HydrophobicContact CB-CH2 3.91Å; A151-W547 HydrophobicContact CB-CZ2 4.15Å; A151-G552 WeakPolarHBondContact CB-O 3.44Å |
| 152 | S | 91.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | trans | -121.8 | 160.8 | 164.2 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | T154 Q155 Y156 | S152-T154 PolarHBondContact O-N 2.89Å; S152-T154 VanDerWaalsContact O-N 3.16Å; S152-T154 PolarHBondContact OG-N 3.4Å; S152-T154 PolarHBondContact OG-OG1 3.42Å; S152-Q155 PolarHBondContact O-N 3.11Å; S152-Q155 WeakPolarHBondContact OG-CB 3.31Å; S152-Q155 WeakPolarHBondContact OG-CG 3.45Å; S152-Q155 PolarHBondContact OG-N 3.19Å; S152-Y156 WeakPolarHBondContact O-CB 3.44Å; S152-Y156 PolarHBondContact O-N 3.19Å | ||
| 153 | P | 94.2 | Very high | 93.1 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 17% | 0.169 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.4 | -36.1 | 172.1 | -26.7 | 33.3 | 0 | 0 | 0 | 113.8 | W132 F157 | W132-P153 WeakPolarHBondContact O-CB 3.4Å; P153-F157 WeakPolarHBondContact O-CB 3.49Å; P153-F157 PolarHBondContact O-N 3.4Å |
| 154 | T | 94.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.6 | -41.8 | 179.3 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | W132 S152 F157 F158 E389 K392 | W132-T154 HydrophobicContact CB-CG2 3.94Å; W132-T154 HydrophobicContact CG-CG2 4.16Å; S152-T154 PolarHBondContact O-N 2.89Å; S152-T154 VanDerWaalsContact O-N 3.16Å; S152-T154 PolarHBondContact OG-N 3.4Å; S152-T154 PolarHBondContact OG-OG1 3.42Å; T154-F157 PolarHBondContact O-N 2.9Å; T154-F158 PolarHBondContact O-N 3.49Å; T154-E389 WeakPolarHBondContact CB-OE2 3.44Å; T154-E389 HydrophobicContact CG2-CB 4.13Å; T154-E389 WeakPolarHBondContact CG2-OE2 3.47Å; T154-E389 PolarHBondContact OG1-OE2 3.45Å; T154-K392 HydrophobicContact CG2-CD 4.47Å |
| 155 | Q | 93.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 173.5 | -74.3 | 177.9 | -32.6 | 0 | 0 | 111.1 | A151 S152 F157 F158 Y159 I385 W547 | A151-Q155 HydrophobicContact CB-CB 4.18Å; S152-Q155 PolarHBondContact O-N 3.11Å; S152-Q155 WeakPolarHBondContact OG-CB 3.31Å; S152-Q155 WeakPolarHBondContact OG-CG 3.45Å; S152-Q155 PolarHBondContact OG-N 3.19Å; Q155-F157 PolarHBondContact O-N 3.42Å; Q155-F158 PolarHBondContact O-N 3.35Å; Q155-Y159 HydrophobicContact CB-CD2 4.41Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.37Å; Q155-Y159 PolarHBondContact O-N 2.85Å; Q155-I385 HydrophobicContact CG-CD1 4.29Å; Q155-I385 HydrophobicContact CG-CG2 3.66Å; Q155-W547 HydrophobicContact CB-CH2 4.19Å |
| 156 | Y | 95.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 176 | 179.5 | -89.2 | 0 | 0 | 0 | 111.2 | P136 E147 C148 S152 F158 R160 E161 | P136-Y156 HydrophobicContact CG-CD1 4.22Å; P136-Y156 HydrophobicContact CG-CE1 3.62Å; E147-Y156 HydrophobicContact CB-CD2 4.24Å; E147-Y156 HydrophobicContact CB-CE2 4.23Å; E147-Y156 HydrophobicContact CG-CD2 4.03Å; E147-Y156 HydrophobicContact CG-CE2 4.29Å; C148-Y156 HydrophobicContact CB-CD1 4.28Å; C148-Y156 HydrophobicContact CB-CD2 3.63Å; C148-Y156 HydrophobicContact CB-CE2 4.27Å; C148-Y156 HydrophobicContact CB-CG 3.65Å; S152-Y156 WeakPolarHBondContact O-CB 3.44Å; S152-Y156 PolarHBondContact O-N 3.19Å; Y156-F158 VanDerWaalsContact C-N 3.3Å; Y156-F158 PolarHBondContact O-N 2.9Å; Y156-R160 HydrophobicContact CD2-CB 4.06Å; Y156-R160 HydrophobicContact CD2-CG 4.49Å; Y156-R160 HydrophobicContact CE1-CB 4.28Å; Y156-R160 HydrophobicContact CE1-CG 4.37Å; Y156-R160 HydrophobicContact CE2-CB 3.82Å; Y156-R160 HydrophobicContact CE2-CG 3.75Å; Y156-R160 HydrophobicContact CG-CB 4.41Å; Y156-R160 WeakPolarHBondContact O-CA 3.22Å; Y156-R160 VanDerWaalsContact O-CB 3.26Å; Y156-R160 WeakPolarHBondContact O-CB 3.41Å; Y156-R160 PolarHBondContact O-N 3.36Å; Y156-E161 HydrophobicContact CD1-CG 4.25Å; Y156-E161 HydrophobicContact CE1-CG 3.8Å; Y156-E161 VanDerWaalsContact CE1-OE1 3.32Å; Y156-E161 WeakPolarHBondContact CE1-OE1 3.49Å; Y156-E161 PolarHBondContact O-N 3.16Å; Y156-E161 PolarHBondContact OH-OE1 3.42Å |
| 157 | F | 96.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -61.1 | -38.1 | 177.2 | -174.6 | -96.3 | 0 | 0 | 0 | 112.6 | W120 Y121 H124 P131 W132 P153 T154 Q155 E161 T162 | W120-F157 AromaticContact NE1-CE1 3.99Å; W120-F157 AromaticContact NE1-CZ 3.7Å; Y121-F157 HydrophobicContact CD1-CE1 4.12Å; Y121-F157 HydrophobicContact CD2-CE1 4.4Å; Y121-F157 AromaticContact CE1-CD1 3.79Å; Y121-F157 HydrophobicContact CE1-CD1 3.79Å; Y121-F157 AromaticContact CE1-CE1 3.73Å; Y121-F157 HydrophobicContact CE1-CE1 3.73Å; Y121-F157 HydrophobicContact CE2-CD1 4.35Å; Y121-F157 HydrophobicContact CE2-CE1 4.02Å; Y121-F157 HydrophobicContact CG-CE1 4.46Å; Y121-F157 AromaticContact CZ-CD1 3.65Å; Y121-F157 AromaticContact CZ-CE1 3.69Å; H124-F157 HydrophobicContact CB-CZ 4.3Å; P131-F157 HydrophobicContact CB-CD2 3.86Å; P131-F157 HydrophobicContact CB-CE2 3.45Å; P131-F157 VanDerWaalsContact CB-CE2 3.45Å; P131-F157 HydrophobicContact CB-CZ 4.16Å; P131-F157 HydrophobicContact CG-CE2 4.35Å; W132-F157 HydrophobicContact CB-CB 3.74Å; W132-F157 HydrophobicContact CB-CD1 4.21Å; W132-F157 HydrophobicContact CB-CG 3.91Å; W132-F157 HydrophobicContact CD2-CD1 4.41Å; W132-F157 AromaticContact CE3-CD1 3.66Å; W132-F157 HydrophobicContact CE3-CD1 3.66Å; W132-F157 HydrophobicContact CE3-CD2 4.48Å; W132-F157 AromaticContact CE3-CE1 3.46Å; W132-F157 HydrophobicContact CE3-CE1 3.46Å; W132-F157 VanDerWaalsContact CE3-CE1 3.46Å; W132-F157 HydrophobicContact CE3-CE2 4.32Å; W132-F157 HydrophobicContact CE3-CG 4.18Å; W132-F157 AromaticContact CE3-CZ 3.82Å; W132-F157 HydrophobicContact CE3-CZ 3.82Å; W132-F157 HydrophobicContact CZ3-CD1 4.43Å; W132-F157 AromaticContact CZ3-CE1 3.8Å; W132-F157 HydrophobicContact CZ3-CE1 3.8Å; W132-F157 HydrophobicContact CZ3-CZ 4.05Å; P153-F157 WeakPolarHBondContact O-CB 3.49Å; P153-F157 PolarHBondContact O-N 3.4Å; T154-F157 PolarHBondContact O-N 2.9Å; Q155-F157 PolarHBondContact O-N 3.42Å; F157-E161 HydrophobicContact CD2-CB 3.8Å; F157-E161 HydrophobicContact CD2-CG 4.08Å; F157-E161 HydrophobicContact CE2-CB 4.08Å; F157-E161 HydrophobicContact CG-CB 4.38Å; F157-E161 WeakPolarHBondContact O-CB 3.43Å; F157-E161 PolarHBondContact O-N 3.45Å; F157-T162 WeakPolarHBondContact CE1-OG1 3.48Å; F157-T162 WeakPolarHBondContact O-CB 3.09Å; F157-T162 PolarHBondContact O-N 3.36Å; F157-T162 PolarHBondContact O-OG1 3.3Å |
| 158 | F | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -71.1 | -56.4 | 177 | -174.5 | -108.6 | 0 | 0 | 0 | 112.1 | Y121 T154 Q155 Y156 T162 L163 F384 I385 | Y121-F158 HydrophobicContact CE2-CD2 4.31Å; Y121-F158 WeakPolarHBondContact OH-CD2 3.47Å; T154-F158 PolarHBondContact O-N 3.49Å; Q155-F158 PolarHBondContact O-N 3.35Å; Y156-F158 VanDerWaalsContact C-N 3.3Å; Y156-F158 PolarHBondContact O-N 2.9Å; F158-T162 VanDerWaalsContact O-CB 3.31Å; F158-T162 WeakPolarHBondContact O-CB 3.33Å; F158-L163 HydrophobicContact CD1-CD1 3.95Å; F158-L163 HydrophobicContact CE1-CD1 3.5Å; F158-L163 VanDerWaalsContact CE1-CD1 3.5Å; F158-L163 HydrophobicContact CE1-CG 4.47Å; F158-L163 HydrophobicContact CE2-CD1 4.3Å; F158-L163 HydrophobicContact CZ-CD1 3.7Å; F158-L163 HydrophobicContact CZ-CG 4.37Å; F158-L163 WeakPolarHBondContact O-CB 3.29Å; F158-L163 WeakPolarHBondContact O-CG 3.46Å; F158-L163 PolarHBondContact O-N 3.31Å; F158-F384 HydrophobicContact CD2-CB 3.71Å; F158-F384 HydrophobicContact CD2-CG 4.37Å; F158-F384 HydrophobicContact CE2-CB 3.77Å; F158-F384 HydrophobicContact CE2-CD2 4.12Å; F158-F384 HydrophobicContact CE2-CG 4.06Å; F158-I385 HydrophobicContact CB-CD1 4.3Å; F158-I385 HydrophobicContact CB-CG1 4Å; F158-I385 HydrophobicContact CD1-CD1 3.86Å; F158-I385 HydrophobicContact CD1-CG1 4.22Å; F158-I385 HydrophobicContact CG-CD1 4.23Å; F158-I385 HydrophobicContact CG-CG1 4.08Å |
| 159 | Y | 95.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -75.6 | -35.2 | -172.5 | -72.5 | -71.2 | 0 | 0 | 0 | 113.6 | Q155 L163 N164 I165 I385 W547 S554 | Q155-Y159 HydrophobicContact CB-CD2 4.41Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.37Å; Q155-Y159 PolarHBondContact O-N 2.85Å; Y159-L163 HydrophobicContact CD1-CD1 4.36Å; Y159-N164 WeakPolarHBondContact O-CA 3.34Å; Y159-N164 PolarHBondContact O-N 3.1Å; Y159-N164 VanDerWaalsContact O-N 3.12Å; Y159-I165 HydrophobicContact CD1-CB 4.46Å; Y159-I165 HydrophobicContact CD1-CD1 3.78Å; Y159-I165 HydrophobicContact CD1-CG2 4.01Å; Y159-I165 HydrophobicContact CE1-CD1 4.05Å; Y159-I165 HydrophobicContact CG-CG2 4.48Å; Y159-I165 WeakPolarHBondContact O-CG2 3.36Å; Y159-I165 PolarHBondContact O-N 3.32Å; Y159-I385 HydrophobicContact CE2-CD1 3.97Å; Y159-W547 HydrophobicContact CD1-CB 4.09Å; Y159-W547 AromaticContact CD1-CD2 3.99Å; Y159-W547 HydrophobicContact CD1-CD2 3.99Å; Y159-W547 HydrophobicContact CD1-CE3 4.02Å; Y159-W547 HydrophobicContact CD1-CG 4.04Å; Y159-W547 AromaticContact CD2-CD2 3.79Å; Y159-W547 HydrophobicContact CD2-CD2 3.79Å; Y159-W547 AromaticContact CD2-CE3 3.41Å; Y159-W547 HydrophobicContact CD2-CE3 3.41Å; Y159-W547 VanDerWaalsContact CD2-CE3 3.41Å; Y159-W547 AromaticContact CD2-CH2 3.74Å; Y159-W547 HydrophobicContact CD2-CH2 3.74Å; Y159-W547 HydrophobicContact CD2-CZ2 4.1Å; Y159-W547 AromaticContact CD2-CZ3 3.38Å; Y159-W547 HydrophobicContact CD2-CZ3 3.38Å; Y159-W547 HydrophobicContact CE1-CB 4.36Å; Y159-W547 HydrophobicContact CE1-CD2 4.42Å; Y159-W547 HydrophobicContact CE1-CE3 4.04Å; Y159-W547 HydrophobicContact CE2-CD2 4.27Å; Y159-W547 AromaticContact CE2-CE3 3.46Å; Y159-W547 HydrophobicContact CE2-CE3 3.46Å; Y159-W547 VanDerWaalsContact CE2-CE3 3.46Å; Y159-W547 HydrophobicContact CE2-CH2 4.16Å; Y159-W547 AromaticContact CE2-CZ3 3.4Å; Y159-W547 HydrophobicContact CE2-CZ3 3.4Å; Y159-W547 AromaticContact CG-CD2 3.64Å; Y159-W547 HydrophobicContact CG-CD2 3.64Å; Y159-W547 AromaticContact CG-CE3 3.7Å; Y159-W547 HydrophobicContact CG-CE3 3.7Å; Y159-W547 HydrophobicContact CG-CG 4.04Å; Y159-W547 HydrophobicContact CG-CH2 4.46Å; Y159-W547 HydrophobicContact CG-CZ2 4.42Å; Y159-W547 HydrophobicContact CG-CZ3 4.13Å; Y159-W547 AromaticContact CZ-CE3 3.77Å; Y159-S554 PolarHBondContact OH-OG 2.91Å; Y159-S554 VanDerWaalsContact OH-OG 3.12Å |
| 160 | R | 94 | Very high | 93.6 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -98.8 | -52.9 | -175.4 | -171.1 | 57.3 | 60.4 | -147.6 | -7.8 | 113.1 | E147 Y156 N164 I165 | E147-R160 IonicContact OE1-CZ 2.63Å; E147-R160 IonicContact OE1-NE 2.83Å; E147-R160 PolarHBondContact OE1-NE 2.99Å; E147-R160 IonicContact OE1-NH2 2.83Å; E147-R160 PolarHBondContact OE1-NH2 3.06Å; E147-R160 IonicContact OE2-CZ 3.88Å; E147-R160 IonicContact OE2-NE 3.25Å; E147-R160 PolarHBondContact OE2-NE 3.46Å; E147-R160 IonicContact OE2-NH2 2.97Å; E147-R160 PolarHBondContact OE2-NH2 2.84Å; Y156-R160 HydrophobicContact CD2-CB 4.06Å; Y156-R160 HydrophobicContact CD2-CG 4.49Å; Y156-R160 HydrophobicContact CE1-CB 4.28Å; Y156-R160 HydrophobicContact CE1-CG 4.37Å; Y156-R160 HydrophobicContact CE2-CB 3.82Å; Y156-R160 HydrophobicContact CE2-CG 3.75Å; Y156-R160 HydrophobicContact CG-CB 4.41Å; Y156-R160 WeakPolarHBondContact O-CA 3.22Å; Y156-R160 VanDerWaalsContact O-CB 3.26Å; Y156-R160 WeakPolarHBondContact O-CB 3.41Å; Y156-R160 PolarHBondContact O-N 3.36Å; R160-N164 PolarHBondContact NH1-OD1 2.63Å; R160-N164 WeakPolarHBondContact O-CA 3.23Å; R160-N164 WeakPolarHBondContact O-CB 3.24Å; R160-N164 PolarHBondContact O-N 3.19Å; R160-I165 PolarHBondContact NH1-O 3.19Å |
| 161 | E | 94.2 | Very high | 93.6 | Very high | 94 Ų | 94 | 35.6 Ų | 35.6 | 44% | 0.439 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -79.7 | -40.6 | -174.9 | -60.4 | -62 | 147.1 | 0 | 0 | 112.5 | Y156 F157 | Y156-E161 HydrophobicContact CD1-CG 4.25Å; Y156-E161 HydrophobicContact CE1-CG 3.8Å; Y156-E161 VanDerWaalsContact CE1-OE1 3.32Å; Y156-E161 WeakPolarHBondContact CE1-OE1 3.49Å; Y156-E161 PolarHBondContact O-N 3.16Å; Y156-E161 PolarHBondContact OH-OE1 3.42Å; F157-E161 HydrophobicContact CD2-CB 3.8Å; F157-E161 HydrophobicContact CD2-CG 4.08Å; F157-E161 HydrophobicContact CE2-CB 4.08Å; F157-E161 HydrophobicContact CG-CB 4.38Å; F157-E161 WeakPolarHBondContact O-CB 3.43Å; F157-E161 PolarHBondContact O-N 3.45Å |
| 162 | T | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -82 | -56.6 | -177.9 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | W120 Y121 F157 F158 Q179 | W120-T162 HydrophobicContact CG-CG2 4.29Å; W120-T162 PolarHBondContact NE1-OG1 3.08Å; W120-T162 VanDerWaalsContact NE1-OG1 3.12Å; Y121-T162 HydrophobicContact CE2-CG2 4.12Å; F157-T162 WeakPolarHBondContact CE1-OG1 3.48Å; F157-T162 WeakPolarHBondContact O-CB 3.09Å; F157-T162 PolarHBondContact O-N 3.36Å; F157-T162 PolarHBondContact O-OG1 3.3Å; F158-T162 VanDerWaalsContact O-CB 3.31Å; F158-T162 WeakPolarHBondContact O-CB 3.33Å; T162-Q179 VanDerWaalsContact CG2-NE2 3.34Å; T162-Q179 VanDerWaalsContact O-CG 3.24Å; T162-Q179 WeakPolarHBondContact O-CG 3.13Å; T162-Q179 PolarHBondContact O-NE2 3.47Å |
| 163 | L | 94.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -90.5 | -30.6 | -174.2 | -63.3 | 178.6 | 0 | 0 | 0 | 113.6 | W117 F158 Y159 I165 N462 | W117-L163 HydrophobicContact CZ2-CD2 3.65Å; F158-L163 HydrophobicContact CD1-CD1 3.95Å; F158-L163 HydrophobicContact CE1-CD1 3.5Å; F158-L163 VanDerWaalsContact CE1-CD1 3.5Å; F158-L163 HydrophobicContact CE1-CG 4.47Å; F158-L163 HydrophobicContact CE2-CD1 4.3Å; F158-L163 HydrophobicContact CZ-CD1 3.7Å; F158-L163 HydrophobicContact CZ-CG 4.37Å; F158-L163 WeakPolarHBondContact O-CB 3.29Å; F158-L163 WeakPolarHBondContact O-CG 3.46Å; F158-L163 PolarHBondContact O-N 3.31Å; Y159-L163 HydrophobicContact CD1-CD1 4.36Å; L163-I165 VanDerWaalsContact C-N 3.28Å; L163-I165 HydrophobicContact CB-CB 4.23Å; L163-I165 HydrophobicContact CD1-CD1 4.38Å; L163-I165 PolarHBondContact O-N 2.52Å; L163-N462 HydrophobicContact CD1-CB 3.9Å; L163-N462 HydrophobicContact CD2-CB 4.47Å |
| 164 | N | 94.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | trans | 47.2 | 53.8 | -166.6 | -167.5 | 9 | 0 | 0 | 0 | 111.7 | Y159 R160 Q176 R459 | Y159-N164 WeakPolarHBondContact O-CA 3.34Å; Y159-N164 PolarHBondContact O-N 3.1Å; Y159-N164 VanDerWaalsContact O-N 3.12Å; R160-N164 PolarHBondContact NH1-OD1 2.63Å; R160-N164 WeakPolarHBondContact O-CA 3.23Å; R160-N164 WeakPolarHBondContact O-CB 3.24Å; R160-N164 PolarHBondContact O-N 3.19Å; N164-Q176 HydrophobicContact CB-CG 4.35Å; N164-Q176 PolarHBondContact ND2-OE1 2.88Å; N164-R459 PolarHBondContact ND2-NE 2.96Å; N164-R459 PolarHBondContact ND2-NH2 3.36Å; N164-R459 VanDerWaalsContact O-CB 3.31Å; N164-R459 WeakPolarHBondContact O-CB 3.47Å; N164-R459 VanDerWaalsContact O-CD 3.27Å; N164-R459 WeakPolarHBondContact O-CD 3.48Å; N164-R459 WeakPolarHBondContact O-CG 3.36Å | ||
| 165 | I | 94 | Very high | 92.1 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | trans | -65.4 | 143.3 | -163.5 | -157.9 | 169.5 | 0 | 0 | 0 | 112.6 | Y159 R160 L163 R459 N462 Y463 W547 | Y159-I165 HydrophobicContact CD1-CB 4.46Å; Y159-I165 HydrophobicContact CD1-CD1 3.78Å; Y159-I165 HydrophobicContact CD1-CG2 4.01Å; Y159-I165 HydrophobicContact CE1-CD1 4.05Å; Y159-I165 HydrophobicContact CG-CG2 4.48Å; Y159-I165 WeakPolarHBondContact O-CG2 3.36Å; Y159-I165 PolarHBondContact O-N 3.32Å; R160-I165 PolarHBondContact NH1-O 3.19Å; L163-I165 VanDerWaalsContact C-N 3.28Å; L163-I165 HydrophobicContact CB-CB 4.23Å; L163-I165 HydrophobicContact CD1-CD1 4.38Å; L163-I165 PolarHBondContact O-N 2.52Å; I165-R459 WeakPolarHBondContact CA-O 3.33Å; I165-N462 HydrophobicContact CD1-CB 4.17Å; I165-Y463 HydrophobicContact CD1-CE1 3.73Å; I165-Y463 HydrophobicContact CD1-CE2 4.26Å; I165-Y463 WeakPolarHBondContact CD1-OH 3.46Å; I165-Y463 HydrophobicContact CG1-CE1 4.41Å; I165-Y463 HydrophobicContact CG1-CE2 4.06Å; I165-W547 HydrophobicContact CD1-CB 4.29Å; I165-W547 HydrophobicContact CG2-CB 3.64Å; I165-W547 HydrophobicContact CG2-CG 3.77Å | ||
| 166 | S | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | trans | -77.5 | 157.6 | 169.9 | 60.9 | 0 | 0 | 0 | 0 | 111 | S168 K171 R459 S460 Y463 | S166-S168 PolarHBondContact O-N 2.59Å; S166-S168 PolarHBondContact OG-O 2.74Å; S166-K171 WeakPolarHBondContact CB-O 3.2Å; S166-K171 PolarHBondContact OG-O 3Å; S166-R459 PolarHBondContact N-O 3.35Å; S166-R459 PolarHBondContact OG-O 3.39Å; S166-S460 WeakPolarHBondContact OG-CA 3.37Å; S166-S460 WeakPolarHBondContact OG-CB 3.21Å; S166-Y463 VanDerWaalsContact O-CE2 3.29Å; S166-Y463 WeakPolarHBondContact O-CE2 3.28Å; S166-Y463 PolarHBondContact O-OH 2.91Å | ||
| 167 | P | 92.3 | Very high | 92.1 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -72.1 | -16.9 | 178.9 | 30.5 | -37.4 | 0 | 0 | 0 | 113.4 | K171 | P167-K171 HydrophobicContact CG-CD 3.88Š|
| 168 | S | 92.8 | Very high | 92 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -152.4 | 165.4 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | S166 E170 K171 | S166-S168 PolarHBondContact O-N 2.59Å; S166-S168 PolarHBondContact OG-O 2.74Å; S168-E170 VanDerWaalsContact C-N 3.25Å; S168-E170 PolarHBondContact O-N 3.21Å; S168-K171 PolarHBondContact O-N 2.75Å |
| 169 | I | 93 | Very high | 92 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -64.7 | -26.5 | 176.2 | -167.3 | 169.4 | 0 | 0 | 0 | 113.4 | N172 Y463 W464 M467 Y544 Y559 P560 F562 | I169-N172 PolarHBondContact O-OD1 2.93Å; I169-Y463 HydrophobicContact CB-CD2 4.13Å; I169-Y463 HydrophobicContact CB-CG 4.35Å; I169-W464 HydrophobicContact CD1-CD2 4.17Å; I169-W464 HydrophobicContact CD1-CZ2 4.37Å; I169-W464 HydrophobicContact CG1-CZ2 4.33Å; I169-M467 HydrophobicContact CD1-CE 3.77Å; I169-Y544 HydrophobicContact CB-CE2 4.42Å; I169-Y544 HydrophobicContact CG2-CE1 4.27Å; I169-Y544 PolarHBondContact N-OH 2.96Å; I169-Y559 HydrophobicContact CD1-CD1 4.31Å; I169-Y559 HydrophobicContact CD1-CE1 4.09Å; I169-P560 HydrophobicContact CG2-CG 3.62Å; I169-F562 HydrophobicContact CG2-CZ 4.2Å |
| 170 | E | 90.8 | Very high | 92 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -73.8 | -32.6 | -178.1 | -47.8 | -168.1 | 106.3 | 0 | 0 | 112.5 | S168 N172 P560 F562 | S168-E170 VanDerWaalsContact C-N 3.25Å; S168-E170 PolarHBondContact O-N 3.21Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 PolarHBondContact O-N 3.18Å; E170-P560 HydrophobicContact CG-CB 4.23Å; E170-P560 HydrophobicContact CG-CG 3.96Å; E170-P560 WeakPolarHBondContact OE1-CB 3.31Å; E170-F562 HydrophobicContact CB-CE1 4.43Å; E170-F562 HydrophobicContact CG-CE1 3.79Å; E170-F562 HydrophobicContact CG-CZ 4.06Å |
| 171 | K | 89.3 | Confident | 92.2 | Very high | 137 Ų | 137 | 52 Ų | 52 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -82.6 | 77.8 | 180 | -67.4 | -170.1 | -173.4 | 172.8 | 0 | 109.7 | S166 P167 S168 G173 | S166-K171 WeakPolarHBondContact CB-O 3.2Å; S166-K171 PolarHBondContact OG-O 3Å; P167-K171 HydrophobicContact CG-CD 3.88Å; S168-K171 PolarHBondContact O-N 2.75Å; K171-G173 PolarHBondContact O-N 2.95Å |
| 172 | N | 78.1 | Confident | 92.4 | Very high | 106 Ų | 106 | 47.9 Ų | 47.9 | 57% | 0.567 | 28% | 0.281 | S | S | * | . | trans | -65.2 | 114.9 | 172.5 | -74.4 | -20.7 | 0 | 0 | 0 | 109.8 | I169 E170 S460 | I169-N172 PolarHBondContact O-OD1 2.93Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 PolarHBondContact O-N 3.18Å; N172-S460 PolarHBondContact OD1-OG 3.2Å | ||
| 173 | G | 80.3 | Confident | 92.5 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | trans | -86.8 | 179.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | K171 | K171-G173 PolarHBondContact O-N 2.95Š| ||
| 174 | G | 88 | Confident | 92.7 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | trans | -67.8 | 162.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q176 | G174-Q176 PolarHBondContact O-N 3.27Å; G174-Q176 PolarHBondContact O-NE2 2.89Å; G174-Q176 VanDerWaalsContact O-NE2 3.15Å | ||
| 175 | I | 92.6 | Very high | 92.8 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 129.5 | 170.9 | -67.4 | 172.8 | 0 | 0 | 0 | 109.2 | T177 A180 T458 | I175-T177 PolarHBondContact O-N 3.17Å; I175-A180 HydrophobicContact CG2-CB 3.71Å; I175-T458 HydrophobicContact CG1-CG2 4.03Å |
| 176 | Q | 94.2 | Very high | 93 | Very high | 39 Ų | 39 | 52 Ų | 52 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -81.1 | 109.8 | 174.1 | -61.3 | -51.9 | -59.2 | 0 | 0 | 109.5 | N164 G174 G178 Q179 A180 T457 R459 | N164-Q176 HydrophobicContact CB-CG 4.35Å; N164-Q176 PolarHBondContact ND2-OE1 2.88Å; G174-Q176 PolarHBondContact O-N 3.27Å; G174-Q176 PolarHBondContact O-NE2 2.89Å; G174-Q176 VanDerWaalsContact O-NE2 3.15Å; Q176-G178 VanDerWaalsContact C-N 3.32Å; Q176-G178 PolarHBondContact O-N 3.42Å; Q176-Q179 HydrophobicContact CB-CB 4.29Å; Q176-Q179 HydrophobicContact CB-CG 4.27Å; Q176-Q179 PolarHBondContact O-N 2.77Å; Q176-A180 WeakPolarHBondContact O-CB 3.48Å; Q176-A180 PolarHBondContact O-N 3.16Å; Q176-T457 PolarHBondContact N-O 2.88Å; Q176-R459 HydrophobicContact CG-CG 4.48Å | ||
| 177 | T | 94 | Very high | 93.1 | Very high | 102 Ų | 102 | 52 Ų | 52 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.9 | -41.8 | -173.4 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | I175 Q179 A180 L181 | I175-T177 PolarHBondContact O-N 3.17Å; T177-Q179 PolarHBondContact O-N 2.91Å; T177-A180 PolarHBondContact O-N 3.47Å; T177-L181 HydrophobicContact CG2-CD1 4.2Å; T177-L181 HydrophobicContact CG2-CG 4.43Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.37Å |
| 178 | G | 94.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q176 L181 C182 | Q176-G178 VanDerWaalsContact C-N 3.32Å; Q176-G178 PolarHBondContact O-N 3.42Å; G178-L181 PolarHBondContact O-N 2.89Å; G178-C182 PolarHBondContact O-N 3.03Å; G178-C182 VanDerWaalsContact O-N 3.15Å; G178-C182 PolarHBondContact O-SG 2.82Å |
| 179 | Q | 94.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 177.1 | -61.9 | -53.1 | -31.6 | 0 | 0 | 112 | T162 Q176 T177 L181 C182 F183 | T162-Q179 VanDerWaalsContact CG2-NE2 3.34Å; T162-Q179 VanDerWaalsContact O-CG 3.24Å; T162-Q179 WeakPolarHBondContact O-CG 3.13Å; T162-Q179 PolarHBondContact O-NE2 3.47Å; Q176-Q179 HydrophobicContact CB-CB 4.29Å; Q176-Q179 HydrophobicContact CB-CG 4.27Å; Q176-Q179 PolarHBondContact O-N 2.77Å; T177-Q179 PolarHBondContact O-N 2.91Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.84Å; Q179-C182 PolarHBondContact O-N 3.34Å; Q179-F183 VanDerWaalsContact O-CB 3.31Å; Q179-F183 WeakPolarHBondContact O-CB 3.26Å; Q179-F183 PolarHBondContact O-N 2.93Å |
| 180 | A | 96.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I175 Q176 T177 F183 L184 | I175-A180 HydrophobicContact CG2-CB 3.71Å; Q176-A180 WeakPolarHBondContact O-CB 3.48Å; Q176-A180 PolarHBondContact O-N 3.16Å; T177-A180 PolarHBondContact O-N 3.47Å; A180-F183 PolarHBondContact O-N 3.47Å; A180-L184 WeakPolarHBondContact O-CB 3.25Å; A180-L184 PolarHBondContact O-N 3.15Å |
| 181 | L | 97.6 | Very high | 94 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 58% | 0.576 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 174.7 | -71 | 173.9 | 0 | 0 | 0 | 112.2 | T177 G178 Q179 F183 L184 L185 | T177-L181 HydrophobicContact CG2-CD1 4.2Å; T177-L181 HydrophobicContact CG2-CG 4.43Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.37Å; G178-L181 PolarHBondContact O-N 2.89Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.84Å; L181-F183 VanDerWaalsContact C-N 3.29Å; L181-F183 PolarHBondContact O-N 3.44Å; L181-L184 PolarHBondContact O-N 3.43Å; L181-L185 WeakPolarHBondContact O-CB 3.24Å; L181-L185 PolarHBondContact O-N 2.94Å |
| 182 | C | 97.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | A116 F119 G178 Q179 L185 A186 | A116-C182 HydrophobicContact CB-CB 4.04Å; A116-C182 WeakPolarHBondContact O-CB 3.29Å; F119-C182 HydrophobicContact CB-CB 4.13Å; G178-C182 PolarHBondContact O-N 3.03Å; G178-C182 VanDerWaalsContact O-N 3.15Å; G178-C182 PolarHBondContact O-SG 2.82Å; Q179-C182 PolarHBondContact O-N 3.34Å; C182-L185 PolarHBondContact O-N 3.37Å; C182-A186 WeakPolarHBondContact O-CB 3.33Å; C182-A186 PolarHBondContact O-N 3.45Å |
| 183 | F | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.8 | -175.8 | -118.1 | 0 | 0 | 0 | 112.4 | N112 I113 A116 Q179 A180 L181 L185 A186 W187 L450 L454 T457 | N112-F183 HydrophobicContact CB-CE2 3.96Å; I113-F183 HydrophobicContact CD1-CD1 4.47Å; I113-F183 HydrophobicContact CD1-CD2 3.43Å; I113-F183 VanDerWaalsContact CD1-CD2 3.43Å; I113-F183 HydrophobicContact CD1-CE1 4.45Å; I113-F183 HydrophobicContact CD1-CE2 3.38Å; I113-F183 HydrophobicContact CD1-CG 3.97Å; I113-F183 HydrophobicContact CD1-CZ 3.92Å; I113-F183 HydrophobicContact CG1-CD2 4.16Å; I113-F183 HydrophobicContact CG1-CE2 3.78Å; I113-F183 HydrophobicContact CG1-CZ 4.45Å; A116-F183 HydrophobicContact CB-CB 3.87Å; A116-F183 HydrophobicContact CB-CD2 4.28Å; Q179-F183 VanDerWaalsContact O-CB 3.31Å; Q179-F183 WeakPolarHBondContact O-CB 3.26Å; Q179-F183 PolarHBondContact O-N 2.93Å; A180-F183 PolarHBondContact O-N 3.47Å; L181-F183 VanDerWaalsContact C-N 3.29Å; L181-F183 PolarHBondContact O-N 3.44Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.98Å; F183-A186 PolarHBondContact O-N 3.2Å; F183-W187 AromaticContact CD2-CD1 3.98Å; F183-W187 AromaticContact CD2-NE1 3.97Å; F183-W187 AromaticContact CE1-CD1 3.73Å; F183-W187 AromaticContact CE1-NE1 3.55Å; F183-W187 AromaticContact CE2-CD1 3.7Å; F183-W187 AromaticContact CE2-NE1 3.22Å; F183-W187 AromaticContact CZ-CD1 3.58Å; F183-W187 AromaticContact CZ-NE1 2.98Å; F183-W187 PolarHBondContact O-N 3Å; F183-L450 HydrophobicContact CD1-CD1 4.33Å; F183-L450 HydrophobicContact CE1-CD1 4.45Å; F183-L450 WeakPolarHBondContact CE1-O 3.36Å; F183-L454 HydrophobicContact CD1-CD2 4.3Å; F183-T457 HydrophobicContact CB-CG2 4.1Å; F183-T457 HydrophobicContact CD1-CG2 4.2Å; F183-T457 HydrophobicContact CG-CG2 4.21Å |
| 184 | L | 98 | Very high | 95.9 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -47 | 171.3 | 176.2 | 63.7 | 0 | 0 | 0 | 110.9 | A180 L181 A186 W187 V188 L450 | A180-L184 WeakPolarHBondContact O-CB 3.25Å; A180-L184 PolarHBondContact O-N 3.15Å; L181-L184 PolarHBondContact O-N 3.43Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.97Å; L184-W187 PolarHBondContact O-N 3.34Å; L184-V188 HydrophobicContact CD1-CG2 4.32Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 WeakPolarHBondContact O-CG2 3.36Å; L184-V188 PolarHBondContact O-N 3.14Å; L184-L450 HydrophobicContact CB-CD1 4.33Å; L184-L450 HydrophobicContact CD1-CD1 3.73Å; L184-L450 HydrophobicContact CD1-CD2 4.39Å |
| 185 | L | 98.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 177 | 179.2 | 62.3 | 0 | 0 | 0 | 111.9 | F119 F123 L181 C182 F183 W187 V188 I189 | F119-L185 HydrophobicContact CD1-CD2 3.93Å; F119-L185 HydrophobicContact CD2-CD2 4.42Å; F119-L185 HydrophobicContact CE1-CD2 4.03Å; F119-L185 HydrophobicContact CE1-CG 4.5Å; F119-L185 HydrophobicContact CE2-CG 4.35Å; F119-L185 HydrophobicContact CG-CD2 4.16Å; F119-L185 HydrophobicContact CZ-CD2 4.36Å; F119-L185 HydrophobicContact CZ-CG 4.35Å; F123-L185 HydrophobicContact CE2-CD2 4.02Å; F123-L185 HydrophobicContact CZ-CD2 3.57Å; L181-L185 WeakPolarHBondContact O-CB 3.24Å; L181-L185 PolarHBondContact O-N 2.94Å; C182-L185 PolarHBondContact O-N 3.37Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.98Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 3.02Å; L185-V188 PolarHBondContact O-N 3.21Å; L185-I189 HydrophobicContact CD1-CD1 3.81Å; L185-I189 HydrophobicContact CD1-CG1 4.19Å; L185-I189 HydrophobicContact CG-CD1 3.89Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 3.4Å |
| 186 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N115 F119 C182 F183 L184 T190 M413 | N115-A186 HydrophobicContact CB-CB 3.97Å; F119-A186 HydrophobicContact CD2-CB 4.12Å; F119-A186 HydrophobicContact CE2-CB 3.91Å; C182-A186 WeakPolarHBondContact O-CB 3.33Å; C182-A186 PolarHBondContact O-N 3.45Å; F183-A186 PolarHBondContact O-N 3.2Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.97Å; A186-T190 VanDerWaalsContact O-CB 3.31Å; A186-T190 WeakPolarHBondContact O-CB 3.34Å; A186-T190 PolarHBondContact O-N 2.98Å; A186-T190 PolarHBondContact O-OG1 3.23Å; A186-M413 HydrophobicContact CB-CE 4.46Å |
| 187 | W | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | 174.7 | -83.1 | 106 | 0 | 0 | 0 | 113.6 | C108 N112 F183 L184 L185 T190 Y191 M416 I420 C446 C449 L450 | C108-W187 HydrophobicContact CB-CH2 4.22Å; C108-W187 WeakPolarHBondContact O-CZ2 3.28Å; N112-W187 HydrophobicContact CB-CZ2 4.04Å; N112-W187 PolarHBondContact ND2-N 3.35Å; N112-W187 PolarHBondContact ND2-NE1 3.42Å; F183-W187 AromaticContact CD2-CD1 3.98Å; F183-W187 AromaticContact CD2-NE1 3.97Å; F183-W187 AromaticContact CE1-CD1 3.73Å; F183-W187 AromaticContact CE1-NE1 3.55Å; F183-W187 AromaticContact CE2-CD1 3.7Å; F183-W187 AromaticContact CE2-NE1 3.22Å; F183-W187 AromaticContact CZ-CD1 3.58Å; F183-W187 AromaticContact CZ-NE1 2.98Å; F183-W187 PolarHBondContact O-N 3Å; L184-W187 PolarHBondContact O-N 3.34Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 3.02Å; W187-T190 PolarHBondContact O-N 3.48Å; W187-Y191 WeakPolarHBondContact O-CB 3.43Å; W187-Y191 PolarHBondContact O-N 3.31Å; W187-M416 HydrophobicContact CH2-CE 3.71Å; W187-M416 HydrophobicContact CZ2-CE 4.2Å; W187-M416 HydrophobicContact CZ3-CE 4.18Å; W187-I420 HydrophobicContact CH2-CD1 4.42Å; W187-I420 HydrophobicContact CZ3-CD1 3.74Å; W187-I420 HydrophobicContact CZ3-CG1 4.46Å; W187-C446 HydrophobicContact CE3-CB 3.84Å; W187-C446 HydrophobicContact CZ3-CB 4.18Å; W187-C449 HydrophobicContact CH2-CB 3.2Å; W187-C449 HydrophobicContact CZ2-CB 3.36Å; W187-C449 HydrophobicContact CZ3-CB 3.9Å; W187-L450 HydrophobicContact CB-CB 4.41Å; W187-L450 HydrophobicContact CB-CD1 3.73Å; W187-L450 HydrophobicContact CD2-CB 4.31Å; W187-L450 HydrophobicContact CG-CB 3.91Å; W187-L450 HydrophobicContact CG-CD1 3.8Å; W187-L450 HydrophobicContact CG-CG 4.47Å |
| 188 | V | 97.6 | Very high | 95.8 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.8 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | L184 L185 T190 Y191 L192 | L184-V188 HydrophobicContact CD1-CG2 4.32Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 WeakPolarHBondContact O-CG2 3.36Å; L184-V188 PolarHBondContact O-N 3.14Å; L185-V188 PolarHBondContact O-N 3.21Å; V188-T190 PolarHBondContact O-N 3.12Å; V188-Y191 PolarHBondContact O-N 2.99Å; V188-L192 HydrophobicContact CG1-CD1 4.2Å; V188-L192 VanDerWaalsContact O-CG 3.31Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 2.96Å |
| 189 | I | 97.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 179.3 | -69.7 | 166.9 | 0 | 0 | 0 | 110.9 | F119 L185 Y191 L192 F193 M413 | F119-I189 HydrophobicContact CE1-CD1 3.93Å; F119-I189 HydrophobicContact CE2-CD1 4.12Å; F119-I189 HydrophobicContact CZ-CD1 3.31Å; L185-I189 HydrophobicContact CD1-CD1 3.81Å; L185-I189 HydrophobicContact CD1-CG1 4.19Å; L185-I189 HydrophobicContact CG-CD1 3.89Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 3.4Å; I189-Y191 VanDerWaalsContact C-N 3.32Å; I189-Y191 PolarHBondContact O-N 2.89Å; I189-L192 PolarHBondContact O-N 3.14Å; I189-F193 HydrophobicContact CG2-CD1 4.33Å; I189-F193 HydrophobicContact CG2-CD2 4.16Å; I189-F193 HydrophobicContact CG2-CE1 3.86Å; I189-F193 HydrophobicContact CG2-CE2 3.68Å; I189-F193 HydrophobicContact CG2-CG 4.49Å; I189-F193 HydrophobicContact CG2-CZ 3.52Å; I189-F193 WeakPolarHBondContact O-CG 3.48Å; I189-F193 PolarHBondContact O-N 3.25Å; I189-M413 HydrophobicContact CB-CE 3.68Å; I189-M413 HydrophobicContact CD1-CE 4.38Å; I189-M413 HydrophobicContact CG2-CE 3.47Å; I189-M413 VanDerWaalsContact CG2-CE 3.47Å; I189-M413 HydrophobicContact CG2-SD 4.06Å |
| 190 | T | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | A186 W187 V188 F193 I194 M416 I420 | A186-T190 VanDerWaalsContact O-CB 3.31Å; A186-T190 WeakPolarHBondContact O-CB 3.34Å; A186-T190 PolarHBondContact O-N 2.98Å; A186-T190 PolarHBondContact O-OG1 3.23Å; W187-T190 PolarHBondContact O-N 3.48Å; V188-T190 PolarHBondContact O-N 3.12Å; T190-F193 PolarHBondContact O-N 3.49Å; T190-I194 WeakPolarHBondContact O-CG1 3.18Å; T190-I194 PolarHBondContact O-N 3.12Å; T190-M416 HydrophobicContact CG2-CB 4.09Å; T190-I420 HydrophobicContact CG2-CD1 3.17Å |
| 191 | Y | 96.8 | Very high | 95.5 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 25% | 0.247 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 174.9 | 171 | -112.6 | 0 | 0 | 0 | 111.9 | W187 V188 I189 F193 I194 I195 E439 | W187-Y191 WeakPolarHBondContact O-CB 3.43Å; W187-Y191 PolarHBondContact O-N 3.31Å; V188-Y191 PolarHBondContact O-N 2.99Å; I189-Y191 VanDerWaalsContact C-N 3.32Å; I189-Y191 PolarHBondContact O-N 2.89Å; Y191-F193 PolarHBondContact O-N 3.31Å; Y191-I194 CarbonylContact O-C 3.55Å; Y191-I194 PolarHBondContact O-N 3.24Å; Y191-I194 VanDerWaalsContact O-N 3.14Å; Y191-I195 HydrophobicContact CE1-CD1 3.77Å; Y191-I195 HydrophobicContact CE1-CG1 4.19Å; Y191-I195 HydrophobicContact CE2-CG1 4.15Å; Y191-I195 WeakPolarHBondContact O-CA 3.44Å; Y191-I195 WeakPolarHBondContact O-CB 3.33Å; Y191-I195 PolarHBondContact O-N 3.48Å; Y191-E439 WeakPolarHBondContact CE2-O 3.46Å; Y191-E439 PolarHBondContact OH-O 2.95Å |
| 192 | L | 96.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 39.5 Ų | 39.5 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 177.7 | -70 | 174 | 0 | 0 | 0 | 112 | V188 I189 I194 I195 S200 | V188-L192 HydrophobicContact CG1-CD1 4.2Å; V188-L192 VanDerWaalsContact O-CG 3.31Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 2.96Å; I189-L192 PolarHBondContact O-N 3.14Å; L192-I194 PolarHBondContact O-N 3.32Å; L192-I195 VanDerWaalsContact O-CG2 3.3Å; L192-I195 WeakPolarHBondContact O-CG2 3.35Å; L192-S200 PolarHBondContact O-OG 3.28Å |
| 193 | F | 95.9 | Very high | 95 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -33.9 | 178.2 | -68.1 | -11.3 | 0 | 0 | 0 | 113.2 | I189 T190 Y191 S200 T201 V204 T208 M413 L417 | I189-F193 HydrophobicContact CG2-CD1 4.33Å; I189-F193 HydrophobicContact CG2-CD2 4.16Å; I189-F193 HydrophobicContact CG2-CE1 3.86Å; I189-F193 HydrophobicContact CG2-CE2 3.68Å; I189-F193 HydrophobicContact CG2-CG 4.49Å; I189-F193 HydrophobicContact CG2-CZ 3.52Å; I189-F193 WeakPolarHBondContact O-CG 3.48Å; I189-F193 PolarHBondContact O-N 3.25Å; T190-F193 PolarHBondContact O-N 3.49Å; Y191-F193 PolarHBondContact O-N 3.31Å; F193-S200 CarbonylContact O-C 3.23Å; F193-S200 WeakPolarHBondContact O-CB 3.38Å; F193-S200 PolarHBondContact O-OG 2.89Å; F193-T201 PolarHBondContact O-N 2.97Å; F193-V204 HydrophobicContact CB-CG1 4.19Å; F193-V204 HydrophobicContact CB-CG2 4.12Å; F193-V204 HydrophobicContact CD1-CB 4.44Å; F193-V204 HydrophobicContact CD1-CG1 3.85Å; F193-V204 HydrophobicContact CD1-CG2 3.7Å; F193-V204 HydrophobicContact CD2-CG1 3.68Å; F193-V204 HydrophobicContact CE1-CG1 4.03Å; F193-V204 HydrophobicContact CE1-CG2 4.28Å; F193-V204 HydrophobicContact CE2-CG1 3.85Å; F193-V204 HydrophobicContact CG-CB 4.39Å; F193-V204 HydrophobicContact CG-CG1 3.66Å; F193-V204 HydrophobicContact CG-CG2 4.01Å; F193-V204 HydrophobicContact CZ-CG1 4.02Å; F193-T208 HydrophobicContact CE2-CG2 4.34Å; F193-M413 HydrophobicContact CE2-CB 4.05Å; F193-M413 HydrophobicContact CE2-CG 4.25Å; F193-M413 HydrophobicContact CE2-SD 4.34Å; F193-L417 HydrophobicContact CB-CD2 3.53Å; F193-L417 HydrophobicContact CD2-CD2 4.19Å; F193-L417 HydrophobicContact CG-CD2 4.37Å |
| 194 | I | 94.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -102.5 | 2.8 | -177.6 | 69.7 | 173.1 | 0 | 0 | 0 | 114.2 | T190 Y191 L192 R196 G197 L417 I420 N442 | T190-I194 WeakPolarHBondContact O-CG1 3.18Å; T190-I194 PolarHBondContact O-N 3.12Å; Y191-I194 CarbonylContact O-C 3.55Å; Y191-I194 PolarHBondContact O-N 3.24Å; Y191-I194 VanDerWaalsContact O-N 3.14Å; L192-I194 PolarHBondContact O-N 3.32Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.09Å; I194-R196 VanDerWaalsContact O-N 3.07Å; I194-G197 WeakPolarHBondContact O-CA 3.49Å; I194-G197 PolarHBondContact O-N 3.32Å; I194-L417 HydrophobicContact CG2-CD2 3.57Å; I194-I420 HydrophobicContact CD1-CB 4.05Å; I194-I420 HydrophobicContact CD1-CD1 3.97Å; I194-I420 HydrophobicContact CD1-CG2 3.32Å; I194-N442 HydrophobicContact CD1-CB 4Å; I194-N442 HydrophobicContact CG1-CB 4.21Å; I194-N442 PolarHBondContact O-ND2 2.91Å |
| 195 | I | 95.3 | Very high | 94.8 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -39.5 | -166.6 | -170.1 | 168.1 | 0 | 0 | 0 | 113.6 | Y191 L192 E439 | Y191-I195 HydrophobicContact CE1-CD1 3.77Å; Y191-I195 HydrophobicContact CE1-CG1 4.19Å; Y191-I195 HydrophobicContact CE2-CG1 4.15Å; Y191-I195 WeakPolarHBondContact O-CA 3.44Å; Y191-I195 WeakPolarHBondContact O-CB 3.33Å; Y191-I195 PolarHBondContact O-N 3.48Å; L192-I195 VanDerWaalsContact O-CG2 3.3Å; L192-I195 WeakPolarHBondContact O-CG2 3.35Å; I195-E439 HydrophobicContact CG1-CB 4.25Å; I195-E439 HydrophobicContact CG1-CG 3.99Å; I195-E439 WeakPolarHBondContact O-CA 3.22Å |
| 196 | R | 91.9 | Very high | 94.7 | Very high | 170 Ų | 170 | 45 Ų | 45 | 64% | 0.642 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 24.1 | 176.1 | -64.8 | 175.8 | -176.4 | 171 | 2.4 | 113.7 | I194 | I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.09Å; I194-R196 VanDerWaalsContact O-N 3.07Å |
| 197 | G | 90.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -141.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I194 K199 S200 T201 | I194-G197 WeakPolarHBondContact O-CA 3.49Å; I194-G197 PolarHBondContact O-N 3.32Å; G197-K199 PolarHBondContact O-N 3.14Å; G197-S200 PolarHBondContact O-N 3.31Å; G197-T201 PolarHBondContact O-N 3.21Å; G197-T201 PolarHBondContact O-OG1 3.29Å |
| 198 | V | 89.2 | Confident | 94.5 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56 | -26.1 | -175 | -63.4 | 0 | 0 | 0 | 0 | 114.6 | D15 W17 G202 Y274 | D15-V198 HydrophobicContact CB-CG2 3.8Å; W17-V198 HydrophobicContact CD2-CB 4.47Å; W17-V198 HydrophobicContact CE3-CB 4.14Å; W17-V198 HydrophobicContact CH2-CB 4.04Å; W17-V198 HydrophobicContact CH2-CG1 3.85Å; W17-V198 HydrophobicContact CZ2-CB 4.35Å; W17-V198 HydrophobicContact CZ2-CG1 3.85Å; W17-V198 HydrophobicContact CZ3-CB 3.91Å; W17-V198 HydrophobicContact CZ3-CG1 4.26Å; V198-G202 WeakPolarHBondContact O-CA 3.44Å; V198-G202 PolarHBondContact O-N 3.44Å; V198-Y274 HydrophobicContact CG1-CD1 4.04Å; V198-Y274 HydrophobicContact CG1-CD2 3.6Å; V198-Y274 HydrophobicContact CG1-CE1 4.23Å; V198-Y274 HydrophobicContact CG1-CE2 3.81Å; V198-Y274 HydrophobicContact CG1-CG 3.75Å; V198-Y274 HydrophobicContact CG2-CD1 4.13Å; V198-Y274 HydrophobicContact CG2-CE1 4.48Å; V198-Y274 HydrophobicContact CG2-CG 4.45Å |
| 199 | K | 90.9 | Very high | 94.3 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69 | -33.7 | 176.5 | -68.4 | 176.2 | -177.5 | 155.8 | 0 | 113.2 | D15 G197 | D15-K199 WeakPolarHBondContact OD1-CE 3.24Å; D15-K199 IonicContact OD1-NZ 2.74Å; D15-K199 PolarHBondContact OD1-NZ 2.92Å; G197-K199 PolarHBondContact O-N 3.14Å |
| 200 | S | 93.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.1 | -50.1 | 175.8 | -174 | 0 | 0 | 0 | 0 | 110.1 | L192 F193 G197 G202 K203 V204 | L192-S200 PolarHBondContact O-OG 3.28Å; F193-S200 CarbonylContact O-C 3.23Å; F193-S200 WeakPolarHBondContact O-CB 3.38Å; F193-S200 PolarHBondContact O-OG 2.89Å; G197-S200 PolarHBondContact O-N 3.31Å; S200-G202 VanDerWaalsContact C-N 3.26Å; S200-G202 PolarHBondContact O-N 3.46Å; S200-K203 PolarHBondContact O-N 3.17Å; S200-V204 PolarHBondContact O-N 3.47Å |
| 201 | T | 94 | Very high | 94.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.6 | -47.5 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 111 | W17 F193 G197 K203 V204 V205 L417 | W17-T201 HydrophobicContact CH2-CG2 4.36Å; F193-T201 PolarHBondContact O-N 2.97Å; G197-T201 PolarHBondContact O-N 3.21Å; G197-T201 PolarHBondContact O-OG1 3.29Å; T201-K203 PolarHBondContact O-N 3.46Å; T201-K203 VanDerWaalsContact O-N 3.12Å; T201-V204 PolarHBondContact O-N 2.93Å; T201-V204 VanDerWaalsContact O-N 3.14Å; T201-V205 HydrophobicContact CG2-CG1 4.06Å; T201-V205 VanDerWaalsContact O-CG1 3.28Å; T201-V205 WeakPolarHBondContact O-CG1 3.47Å; T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.45Å; T201-L417 HydrophobicContact CG2-CB 4.1Å; T201-L417 HydrophobicContact CG2-CD1 4.08Å; T201-L417 HydrophobicContact CG2-CG 4.45Å |
| 202 | G | 92.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -23.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q22 V198 S200 V205 Y206 | Q22-G202 VanDerWaalsContact CD-CA 3.48Å; Q22-G202 WeakPolarHBondContact CG-O 3.44Å; Q22-G202 PolarHBondContact NE2-O 3.39Å; V198-G202 WeakPolarHBondContact O-CA 3.44Å; V198-G202 PolarHBondContact O-N 3.44Å; S200-G202 VanDerWaalsContact C-N 3.26Å; S200-G202 PolarHBondContact O-N 3.46Å; G202-V205 WeakPolarHBondContact O-CG2 3.4Å; G202-Y206 WeakPolarHBondContact O-CD2 3.07Å; G202-Y206 VanDerWaalsContact O-CE2 3.29Å; G202-Y206 WeakPolarHBondContact O-CE2 3.35Å |
| 203 | K | 94.1 | Very high | 94.2 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -85.6 | -41.2 | 175.3 | -65.3 | -177.4 | -177.2 | -174.5 | 0 | 111.5 | S200 T201 V205 Y206 | S200-K203 PolarHBondContact O-N 3.17Å; T201-K203 PolarHBondContact O-N 3.46Å; T201-K203 VanDerWaalsContact O-N 3.12Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.15Å; K203-Y206 PolarHBondContact O-N 3.23Å |
| 204 | V | 95.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | -180 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | F193 S200 T201 Y206 F207 T208 L417 | F193-V204 HydrophobicContact CB-CG1 4.19Å; F193-V204 HydrophobicContact CB-CG2 4.12Å; F193-V204 HydrophobicContact CD1-CB 4.44Å; F193-V204 HydrophobicContact CD1-CG1 3.85Å; F193-V204 HydrophobicContact CD1-CG2 3.7Å; F193-V204 HydrophobicContact CD2-CG1 3.68Å; F193-V204 HydrophobicContact CE1-CG1 4.03Å; F193-V204 HydrophobicContact CE1-CG2 4.28Å; F193-V204 HydrophobicContact CE2-CG1 3.85Å; F193-V204 HydrophobicContact CG-CB 4.39Å; F193-V204 HydrophobicContact CG-CG1 3.66Å; F193-V204 HydrophobicContact CG-CG2 4.01Å; F193-V204 HydrophobicContact CZ-CG1 4.02Å; S200-V204 PolarHBondContact O-N 3.47Å; T201-V204 PolarHBondContact O-N 2.93Å; T201-V204 VanDerWaalsContact O-N 3.14Å; V204-Y206 PolarHBondContact O-N 2.83Å; V204-Y206 VanDerWaalsContact O-N 3.12Å; V204-F207 PolarHBondContact O-N 3.34Å; V204-T208 HydrophobicContact CG1-CG2 3.61Å; V204-T208 PolarHBondContact O-N 2.88Å; V204-L417 HydrophobicContact CG1-CD1 4.33Å |
| 205 | V | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -23.7 | -176.5 | -65.3 | 0 | 0 | 0 | 0 | 114.1 | Q22 L25 A26 T201 G202 K203 F207 T208 A209 L417 | Q22-V205 HydrophobicContact CG-CG2 4.47Å; L25-V205 HydrophobicContact CB-CG2 4.29Å; A26-V205 HydrophobicContact CB-CG1 4.09Å; A26-V205 HydrophobicContact CB-CG2 4.36Å; T201-V205 HydrophobicContact CG2-CG1 4.06Å; T201-V205 VanDerWaalsContact O-CG1 3.28Å; T201-V205 WeakPolarHBondContact O-CG1 3.47Å; T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.45Å; G202-V205 WeakPolarHBondContact O-CG2 3.4Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.15Å; V205-F207 VanDerWaalsContact C-N 3.25Å; V205-F207 PolarHBondContact O-N 3.05Å; V205-T208 WeakPolarHBondContact CA-OG1 3.27Å; V205-A209 WeakPolarHBondContact O-CB 3.43Å; V205-A209 PolarHBondContact O-N 3.34Å; V205-L417 HydrophobicContact CG1-CD1 3.8Å |
| 206 | Y | 95.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 45 Ų | 45 | 38% | 0.384 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -38 | 173.3 | -78.8 | -81.5 | 0 | 0 | 0 | 111.9 | Q22 L25 G202 K203 V204 T210 | Q22-Y206 HydrophobicContact CG-CE2 4.26Å; L25-Y206 HydrophobicContact CD1-CD1 3.45Å; L25-Y206 VanDerWaalsContact CD1-CD1 3.45Å; L25-Y206 HydrophobicContact CD1-CE1 3.44Å; L25-Y206 VanDerWaalsContact CD1-CE1 3.44Å; L25-Y206 HydrophobicContact CD1-CG 4.19Å; G202-Y206 WeakPolarHBondContact O-CD2 3.07Å; G202-Y206 VanDerWaalsContact O-CE2 3.29Å; G202-Y206 WeakPolarHBondContact O-CE2 3.35Å; K203-Y206 PolarHBondContact O-N 3.23Å; V204-Y206 PolarHBondContact O-N 2.83Å; V204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-T210 WeakPolarHBondContact O-CB 3.45Å; Y206-T210 WeakPolarHBondContact O-CG2 3.39Å; Y206-T210 PolarHBondContact O-OG1 3.25Å |
| 207 | F | 95.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 41.2 Ų | 41.2 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -85.7 | -48.8 | 178 | -173.9 | -104.3 | 0 | 0 | 0 | 111.5 | V204 V205 A209 T210 F211 F406 M410 | V204-F207 PolarHBondContact O-N 3.34Å; V205-F207 VanDerWaalsContact C-N 3.25Å; V205-F207 PolarHBondContact O-N 3.05Å; F207-A209 VanDerWaalsContact C-N 3.26Å; F207-A209 PolarHBondContact O-N 3.02Å; F207-T210 PolarHBondContact O-N 3.39Å; F207-F211 HydrophobicContact CD1-CB 4.5Å; F207-F211 HydrophobicContact CD2-CB 4.25Å; F207-F211 HydrophobicContact CE1-CB 4.18Å; F207-F211 HydrophobicContact CE1-CG 4.23Å; F207-F211 HydrophobicContact CE2-CB 3.9Å; F207-F211 AromaticContact CE2-CD2 3.92Å; F207-F211 HydrophobicContact CE2-CD2 3.92Å; F207-F211 HydrophobicContact CE2-CG 4.07Å; F207-F211 HydrophobicContact CZ-CB 3.86Å; F207-F211 HydrophobicContact CZ-CD1 4.35Å; F207-F211 AromaticContact CZ-CD2 3.75Å; F207-F211 HydrophobicContact CZ-CD2 3.75Å; F207-F211 HydrophobicContact CZ-CE2 4.43Å; F207-F211 AromaticContact CZ-CG 3.71Å; F207-F211 HydrophobicContact CZ-CG 3.71Å; F207-F211 VanDerWaalsContact O-CB 3.3Å; F207-F211 WeakPolarHBondContact O-CB 3.43Å; F207-F211 PolarHBondContact O-N 3.19Å; F207-F406 HydrophobicContact CE1-CE1 4.28Å; F207-F406 AromaticContact CE1-CZ 3.92Å; F207-F406 HydrophobicContact CE1-CZ 3.92Å; F207-F406 HydrophobicContact CZ-CE1 4.01Å; F207-F406 HydrophobicContact CZ-CZ 4.06Å; F207-M410 HydrophobicContact CD1-SD 3.72Å; F207-M410 HydrophobicContact CE1-CG 4.05Å; F207-M410 HydrophobicContact CE1-SD 3.55Å; F207-M410 VanDerWaalsContact CE1-SD 3.55Å |
| 208 | T | 95.3 | Very high | 95 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -29 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | S29 F193 V204 V205 P212 M410 | S29-T208 PolarHBondContact OG-OG1 2.88Å; F193-T208 HydrophobicContact CE2-CG2 4.34Å; V204-T208 HydrophobicContact CG1-CG2 3.61Å; V204-T208 PolarHBondContact O-N 2.88Å; V205-T208 WeakPolarHBondContact CA-OG1 3.27Å; T208-P212 WeakPolarHBondContact O-CD 3.5Å; T208-P212 WeakPolarHBondContact O-CG 3.28Å; T208-M410 HydrophobicContact CG2-SD 4Å |
| 209 | A | 94.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -80 | -36.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L25 V205 F207 Y213 | L25-A209 HydrophobicContact CB-CB 4.49Å; L25-A209 HydrophobicContact CD2-CB 4.15Å; V205-A209 WeakPolarHBondContact O-CB 3.43Å; V205-A209 PolarHBondContact O-N 3.34Å; F207-A209 VanDerWaalsContact C-N 3.26Å; F207-A209 PolarHBondContact O-N 3.02Å; A209-Y213 WeakPolarHBondContact O-CD2 3.45Å; A209-Y213 VanDerWaalsContact O-CE2 3.27Å; A209-Y213 WeakPolarHBondContact O-CE2 3.39Å |
| 210 | T | 95.5 | Very high | 95.6 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -92.6 | -37.9 | -169.8 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | Y206 F207 Y213 V214 | Y206-T210 WeakPolarHBondContact O-CB 3.45Å; Y206-T210 WeakPolarHBondContact O-CG2 3.39Å; Y206-T210 PolarHBondContact O-OG1 3.25Å; F207-T210 PolarHBondContact O-N 3.39Å; T210-Y213 PolarHBondContact O-N 3.22Å; T210-Y213 VanDerWaalsContact O-N 3.11Å; T210-V214 PolarHBondContact O-N 3.33Å |
| 211 | F | 96.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | -177.7 | 179 | -100.5 | 0 | 0 | 0 | 112.9 | F207 Y213 V214 V215 F406 M410 | F207-F211 HydrophobicContact CD1-CB 4.5Å; F207-F211 HydrophobicContact CD2-CB 4.25Å; F207-F211 HydrophobicContact CE1-CB 4.18Å; F207-F211 HydrophobicContact CE1-CG 4.23Å; F207-F211 HydrophobicContact CE2-CB 3.9Å; F207-F211 AromaticContact CE2-CD2 3.92Å; F207-F211 HydrophobicContact CE2-CD2 3.92Å; F207-F211 HydrophobicContact CE2-CG 4.07Å; F207-F211 HydrophobicContact CZ-CB 3.86Å; F207-F211 HydrophobicContact CZ-CD1 4.35Å; F207-F211 AromaticContact CZ-CD2 3.75Å; F207-F211 HydrophobicContact CZ-CD2 3.75Å; F207-F211 HydrophobicContact CZ-CE2 4.43Å; F207-F211 AromaticContact CZ-CG 3.71Å; F207-F211 HydrophobicContact CZ-CG 3.71Å; F207-F211 VanDerWaalsContact O-CB 3.3Å; F207-F211 WeakPolarHBondContact O-CB 3.43Å; F207-F211 PolarHBondContact O-N 3.19Å; F211-Y213 VanDerWaalsContact C-N 3.29Å; F211-Y213 PolarHBondContact O-N 3.12Å; F211-V214 WeakPolarHBondContact O-CB 3.29Å; F211-V214 PolarHBondContact O-N 3.43Å; F211-V214 VanDerWaalsContact O-N 3.13Å; F211-V215 HydrophobicContact CD1-CG2 4.16Å; F211-V215 HydrophobicContact CD2-CG2 4.48Å; F211-V215 HydrophobicContact CE1-CG2 3.56Å; F211-V215 HydrophobicContact CE2-CG2 3.92Å; F211-V215 HydrophobicContact CZ-CG2 3.4Å; F211-V215 VanDerWaalsContact CZ-CG2 3.4Å; F211-V215 PolarHBondContact O-N 2.85Å; F211-V215 VanDerWaalsContact O-N 3.11Å; F211-F406 HydrophobicContact CD1-CD1 4.27Å; F211-F406 HydrophobicContact CD1-CE1 4.36Å; F211-F406 HydrophobicContact CE1-CB 4.34Å; F211-F406 AromaticContact CE1-CD1 3.32Å; F211-F406 HydrophobicContact CE1-CD1 3.32Å; F211-F406 AromaticContact CE1-CE1 3.77Å; F211-F406 HydrophobicContact CE1-CE1 3.77Å; F211-F406 AromaticContact CE1-CG 3.98Å; F211-F406 HydrophobicContact CE1-CG 3.98Å; F211-F406 HydrophobicContact CE2-CD1 4.21Å; F211-F406 HydrophobicContact CE2-CE1 4.2Å; F211-F406 AromaticContact CZ-CD1 3.3Å; F211-F406 HydrophobicContact CZ-CD1 3.3Å; F211-F406 AromaticContact CZ-CE1 3.7Å; F211-F406 HydrophobicContact CZ-CE1 3.7Å; F211-F406 HydrophobicContact CZ-CG 4.31Å; F211-M410 HydrophobicContact CD1-CB 4.32Å; F211-M410 HydrophobicContact CD1-CG 3.76Å; F211-M410 HydrophobicContact CE1-CG 4.43Å |
| 212 | P | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -36.3 | 176.9 | -27 | 36.9 | 0 | 0 | 0 | 114.3 | T208 V215 L216 M407 M410 L411 | T208-P212 WeakPolarHBondContact O-CD 3.5Å; T208-P212 WeakPolarHBondContact O-CG 3.28Å; P212-V215 PolarHBondContact O-N 3.33Å; P212-L216 WeakPolarHBondContact O-CB 3.35Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.4Å; P212-L216 PolarHBondContact O-N 3.11Å; P212-M407 HydrophobicContact CB-CG 3.99Å; P212-M410 HydrophobicContact CG-CB 4.04Å; P212-L411 HydrophobicContact CB-CD1 4.34Å; P212-L411 HydrophobicContact CB-CD2 3.58Å; P212-L411 HydrophobicContact CB-CG 3.8Å; P212-L411 HydrophobicContact CG-CD2 3.69Å; P212-L411 HydrophobicContact CG-CG 3.81Å |
| 213 | Y | 96.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 47 Ų | 47 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.9 | -37.5 | 176.8 | -71.6 | -78.8 | 0 | 0 | 0 | 112.7 | V28 A209 T210 F211 V215 L216 L217 I291 T295 | V28-Y213 HydrophobicContact CG1-CE2 4.26Å; A209-Y213 WeakPolarHBondContact O-CD2 3.45Å; A209-Y213 VanDerWaalsContact O-CE2 3.27Å; A209-Y213 WeakPolarHBondContact O-CE2 3.39Å; T210-Y213 PolarHBondContact O-N 3.22Å; T210-Y213 VanDerWaalsContact O-N 3.11Å; F211-Y213 VanDerWaalsContact C-N 3.29Å; F211-Y213 PolarHBondContact O-N 3.12Å; Y213-V215 VanDerWaalsContact C-N 3.33Å; Y213-L216 PolarHBondContact O-N 3.3Å; Y213-L217 WeakPolarHBondContact O-CB 3.23Å; Y213-L217 PolarHBondContact O-N 3.27Å; Y213-I291 WeakPolarHBondContact OH-CG2 3.3Å; Y213-T295 HydrophobicContact CE1-CG2 3.66Å; Y213-T295 VanDerWaalsContact CE1-OG1 3.24Å; Y213-T295 WeakPolarHBondContact CE1-OG1 3.33Å; Y213-T295 PolarHBondContact OH-OG1 3.12Å |
| 214 | V | 97.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 44 Ų | 44 | 49% | 0.485 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -46.8 | 175 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | T210 F211 L217 I218 | T210-V214 PolarHBondContact O-N 3.33Å; F211-V214 WeakPolarHBondContact O-CB 3.29Å; F211-V214 PolarHBondContact O-N 3.43Å; F211-V214 VanDerWaalsContact O-N 3.13Å; V214-L217 PolarHBondContact O-N 2.96Å; V214-I218 HydrophobicContact CG1-CD1 4.04Å; V214-I218 WeakPolarHBondContact O-CG1 3.35Å; V214-I218 PolarHBondContact O-N 3.48Å |
| 215 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | F211 P212 Y213 L217 I218 Y219 L403 M407 | F211-V215 HydrophobicContact CD1-CG2 4.16Å; F211-V215 HydrophobicContact CD2-CG2 4.48Å; F211-V215 HydrophobicContact CE1-CG2 3.56Å; F211-V215 HydrophobicContact CE2-CG2 3.92Å; F211-V215 HydrophobicContact CZ-CG2 3.4Å; F211-V215 VanDerWaalsContact CZ-CG2 3.4Å; F211-V215 PolarHBondContact O-N 2.85Å; F211-V215 VanDerWaalsContact O-N 3.11Å; P212-V215 PolarHBondContact O-N 3.33Å; Y213-V215 VanDerWaalsContact C-N 3.33Å; V215-L217 VanDerWaalsContact C-N 3.28Å; V215-L217 PolarHBondContact O-N 3.42Å; V215-I218 WeakPolarHBondContact O-CB 3.16Å; V215-I218 PolarHBondContact O-N 2.92Å; V215-Y219 HydrophobicContact CG1-CD2 3.6Å; V215-Y219 HydrophobicContact CG1-CE2 3.88Å; V215-Y219 WeakPolarHBondContact O-CB 3.44Å; V215-Y219 WeakPolarHBondContact O-CD2 3.48Å; V215-Y219 PolarHBondContact O-N 3.4Å; V215-L403 HydrophobicContact CG1-CB 4.18Å; V215-L403 HydrophobicContact CG2-CD2 4.46Å; V215-M407 HydrophobicContact CB-CB 3.92Å; V215-M407 HydrophobicContact CB-CG 4.1Å; V215-M407 HydrophobicContact CB-SD 3.85Å; V215-M407 HydrophobicContact CG1-CB 3.74Å; V215-M407 HydrophobicContact CG1-CG 4.14Å; V215-M407 HydrophobicContact CG1-SD 3.63Å; V215-M407 HydrophobicContact CG2-CB 4.16Å |
| 216 | L | 95.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 176.4 | -72.7 | 172.7 | 0 | 0 | 0 | 111.9 | P212 Y213 Y219 L220 T295 F298 A299 M407 | P212-L216 WeakPolarHBondContact O-CB 3.35Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.4Å; P212-L216 PolarHBondContact O-N 3.11Å; Y213-L216 PolarHBondContact O-N 3.3Å; L216-Y219 PolarHBondContact O-N 2.94Å; L216-L220 WeakPolarHBondContact O-CB 3.5Å; L216-L220 PolarHBondContact O-N 2.94Å; L216-T295 HydrophobicContact CD1-CG2 4.33Å; L216-F298 HydrophobicContact CB-CD1 4.19Å; L216-F298 HydrophobicContact CB-CE1 3.66Å; L216-F298 HydrophobicContact CD1-CD1 4.35Å; L216-A299 HydrophobicContact CD1-CB 4.37Å; L216-A299 HydrophobicContact CD2-CB 4.26Å; L216-M407 HydrophobicContact CD2-CE 4.22Å; L216-M407 HydrophobicContact CD2-SD 3.73Å; L216-M407 HydrophobicContact CG-SD 3.74Å |
| 217 | L | 96.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -44 | 175.3 | -178.5 | 64.2 | 0 | 0 | 0 | 112 | Y213 V214 V215 Y219 L220 I221 | Y213-L217 WeakPolarHBondContact O-CB 3.23Å; Y213-L217 PolarHBondContact O-N 3.27Å; V214-L217 PolarHBondContact O-N 2.96Å; V215-L217 VanDerWaalsContact C-N 3.28Å; V215-L217 PolarHBondContact O-N 3.42Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.5Å; L217-L220 WeakPolarHBondContact O-CB 3.42Å; L217-L220 PolarHBondContact O-N 3.35Å; L217-I221 HydrophobicContact CG-CD1 4.48Å; L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.44Å; L217-I221 VanDerWaalsContact O-N 3.11Å |
| 218 | I | 97.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.8 | -71 | 166.2 | 0 | 0 | 0 | 110.3 | V214 V215 I221 R222 W400 L403 | V214-I218 HydrophobicContact CG1-CD1 4.04Å; V214-I218 WeakPolarHBondContact O-CG1 3.35Å; V214-I218 PolarHBondContact O-N 3.48Å; V215-I218 WeakPolarHBondContact O-CB 3.16Å; V215-I218 PolarHBondContact O-N 2.92Å; I218-I221 PolarHBondContact O-N 3.4Å; I218-R222 WeakPolarHBondContact O-CB 3.46Å; I218-R222 PolarHBondContact O-N 2.83Å; I218-W400 HydrophobicContact CG2-CH2 4.42Å; I218-W400 HydrophobicContact CG2-CZ3 3.81Å; I218-L403 HydrophobicContact CG2-CD1 4.43Å |
| 219 | Y | 95.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -31 | 177.9 | -97.2 | -80 | 0 | 0 | 0 | 113.6 | V215 L216 L217 G223 I306 W400 L403 Y404 | V215-Y219 HydrophobicContact CG1-CD2 3.6Å; V215-Y219 HydrophobicContact CG1-CE2 3.88Å; V215-Y219 WeakPolarHBondContact O-CB 3.44Å; V215-Y219 WeakPolarHBondContact O-CD2 3.48Å; V215-Y219 PolarHBondContact O-N 3.4Å; L216-Y219 PolarHBondContact O-N 2.94Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.5Å; Y219-G223 WeakPolarHBondContact O-CA 3.46Å; Y219-G223 PolarHBondContact O-N 3.48Å; Y219-I306 HydrophobicContact CD1-CD1 3.68Å; Y219-I306 HydrophobicContact CE1-CD1 4.13Å; Y219-W400 HydrophobicContact CE1-CE3 4.23Å; Y219-W400 HydrophobicContact CE2-CE3 4.36Å; Y219-W400 WeakPolarHBondContact OH-CA 3.26Å; Y219-W400 WeakPolarHBondContact OH-CB 2.99Å; Y219-W400 PolarHBondContact OH-O 2.79Å; Y219-L403 HydrophobicContact CE2-CB 4.19Å; Y219-Y404 WeakPolarHBondContact OH-CB 3.49Å |
| 220 | L | 95.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -51.4 | 172.8 | -179.8 | 64 | 0 | 0 | 0 | 110.6 | L216 L217 R222 G223 M224 F298 I301 V302 | L216-L220 WeakPolarHBondContact O-CB 3.5Å; L216-L220 PolarHBondContact O-N 2.94Å; L217-L220 WeakPolarHBondContact O-CB 3.42Å; L217-L220 PolarHBondContact O-N 3.35Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.5Å; L220-G223 PolarHBondContact O-N 3Å; L220-M224 HydrophobicContact CD1-CG 3.88Å; L220-M224 HydrophobicContact CG-CG 4.41Å; L220-M224 WeakPolarHBondContact O-CB 3.42Å; L220-M224 VanDerWaalsContact O-CG 3.28Å; L220-M224 WeakPolarHBondContact O-CG 3.5Å; L220-M224 PolarHBondContact O-N 2.94Å; L220-F298 HydrophobicContact CB-CZ 4.37Å; L220-F298 HydrophobicContact CD2-CD2 4.5Å; L220-F298 HydrophobicContact CD2-CE2 3.49Å; L220-F298 VanDerWaalsContact CD2-CE2 3.49Å; L220-F298 HydrophobicContact CD2-CZ 3.83Å; L220-I301 HydrophobicContact CD1-CG2 3.91Å; L220-V302 HydrophobicContact CB-CG2 3.77Å; L220-V302 HydrophobicContact CD1-CG2 3.97Å; L220-V302 HydrophobicContact CG-CG2 4.44Å |
| 221 | I | 96.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 56% | 0.559 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.6 | -48.3 | 179.4 | -64.1 | 167.3 | 0 | 0 | 0 | 109 | L217 I218 T225 | L217-I221 HydrophobicContact CG-CD1 4.48Å; L217-I221 WeakPolarHBondContact O-CG1 3.38Å; L217-I221 PolarHBondContact O-N 3.44Å; L217-I221 VanDerWaalsContact O-N 3.11Å; I218-I221 PolarHBondContact O-N 3.4Å; I221-T225 VanDerWaalsContact O-CG2 3.29Å; I221-T225 WeakPolarHBondContact O-CG2 3.47Å; I221-T225 PolarHBondContact O-N 3Å; I221-T225 PolarHBondContact O-OG1 2.87Å |
| 222 | R | 95.1 | Very high | 95.5 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -51.4 | 178.3 | -179.1 | 58.6 | -176.7 | 153.3 | 2.6 | 111.8 | I218 L220 M224 T225 L226 W400 | I218-R222 WeakPolarHBondContact O-CB 3.46Å; I218-R222 PolarHBondContact O-N 2.83Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.5Å; R222-M224 VanDerWaalsContact C-N 3.34Å; R222-M224 PolarHBondContact O-N 2.97Å; R222-T225 PolarHBondContact NH1-OG1 2.87Å; R222-T225 PolarHBondContact O-N 3.17Å; R222-T225 PolarHBondContact O-OG1 3.29Å; R222-L226 WeakPolarHBondContact O-CG 3.36Å; R222-L226 PolarHBondContact O-N 3.39Å; R222-W400 HydrophobicContact CB-CH2 3.55Å; R222-W400 HydrophobicContact CB-CZ2 4.29Å; R222-W400 HydrophobicContact CB-CZ3 3.66Å; R222-W400 HydrophobicContact CG-CD2 4.45Å; R222-W400 HydrophobicContact CG-CE3 4.23Å; R222-W400 HydrophobicContact CG-CH2 3.43Å; R222-W400 VanDerWaalsContact CG-CH2 3.43Å; R222-W400 HydrophobicContact CG-CZ2 3.66Å; R222-W400 HydrophobicContact CG-CZ3 3.71Å |
| 223 | G | 93.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.2 | -45.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y219 L220 T225 L226 A229 | Y219-G223 WeakPolarHBondContact O-CA 3.46Å; Y219-G223 PolarHBondContact O-N 3.48Å; L220-G223 PolarHBondContact O-N 3Å; G223-T225 VanDerWaalsContact C-N 3.26Å; G223-T225 PolarHBondContact O-N 3.22Å; G223-L226 WeakPolarHBondContact O-CB 3.19Å; G223-L226 PolarHBondContact O-N 3.42Å; G223-L226 VanDerWaalsContact O-N 3.15Å; G223-A229 WeakPolarHBondContact O-CB 3.11Å |
| 224 | M | 95.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -20.4 | 178.9 | -66.4 | -60.8 | -64.2 | 0 | 0 | 113.9 | L220 R222 L230 V233 A305 | L220-M224 HydrophobicContact CD1-CG 3.88Å; L220-M224 HydrophobicContact CG-CG 4.41Å; L220-M224 WeakPolarHBondContact O-CB 3.42Å; L220-M224 VanDerWaalsContact O-CG 3.28Å; L220-M224 WeakPolarHBondContact O-CG 3.5Å; L220-M224 PolarHBondContact O-N 2.94Å; R222-M224 VanDerWaalsContact C-N 3.34Å; R222-M224 PolarHBondContact O-N 2.97Å; M224-L230 HydrophobicContact CE-CD2 3.65Å; M224-V233 HydrophobicContact SD-CG2 4.12Å; M224-A305 HydrophobicContact SD-CB 4.07Å |
| 225 | T | 95.2 | Very high | 95.1 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -7.6 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | I221 R222 G223 | I221-T225 VanDerWaalsContact O-CG2 3.29Å; I221-T225 WeakPolarHBondContact O-CG2 3.47Å; I221-T225 PolarHBondContact O-N 3Å; I221-T225 PolarHBondContact O-OG1 2.87Å; R222-T225 PolarHBondContact NH1-OG1 2.87Å; R222-T225 PolarHBondContact O-N 3.17Å; R222-T225 PolarHBondContact O-OG1 3.29Å; G223-T225 VanDerWaalsContact C-N 3.26Å; G223-T225 PolarHBondContact O-N 3.22Å |
| 226 | L | 94.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -78.5 | 147.1 | 179.5 | -66.7 | 172.4 | 0 | 0 | 0 | 111.2 | R222 G223 G228 A229 F309 M394 | R222-L226 WeakPolarHBondContact O-CG 3.36Å; R222-L226 PolarHBondContact O-N 3.39Å; G223-L226 WeakPolarHBondContact O-CB 3.19Å; G223-L226 PolarHBondContact O-N 3.42Å; G223-L226 VanDerWaalsContact O-N 3.15Å; L226-G228 PolarHBondContact O-N 3.19Å; L226-A229 HydrophobicContact CB-CB 4.45Å; L226-A229 VanDerWaalsContact O-CB 3.27Å; L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 3.2Å; L226-F309 HydrophobicContact CB-CB 3.92Å; L226-F309 HydrophobicContact CB-CD2 3.68Å; L226-F309 HydrophobicContact CB-CE2 4.29Å; L226-F309 HydrophobicContact CB-CG 3.85Å; L226-F309 HydrophobicContact CD1-CB 4.16Å; L226-F309 HydrophobicContact CD1-CD1 3.88Å; L226-F309 HydrophobicContact CD1-CD2 4.34Å; L226-F309 HydrophobicContact CD1-CE1 4.3Å; L226-F309 HydrophobicContact CD1-CG 3.88Å; L226-F309 HydrophobicContact CD2-CD2 4.29Å; L226-F309 HydrophobicContact CD2-CE2 4.07Å; L226-F309 HydrophobicContact CD2-CZ 4.22Å; L226-F309 HydrophobicContact CG-CD2 4.32Å; L226-F309 HydrophobicContact CG-CG 4.32Å; L226-M394 HydrophobicContact CD1-CE 3.57Å; L226-M394 HydrophobicContact CD1-CG 4.49Å; L226-M394 HydrophobicContact CD1-SD 4.08Å; L226-M394 HydrophobicContact CD2-CG 4.47Å |
| 227 | H | 94.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 55 Ų | 55 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 134.7 | 177 | -177.8 | 53.9 | 0 | 0 | 0 | 111.1 | A229 F309 E316 | H227-A229 PolarHBondContact O-N 3.12Å; H227-A229 VanDerWaalsContact O-N 3.15Å; H227-F309 WeakPolarHBondContact O-CA 3.33Å; H227-F309 WeakPolarHBondContact O-CD2 3.27Å; H227-E316 IonicContact CD2-OE1 2.82Å; H227-E316 IonicContact CD2-OE2 2.8Å; H227-E316 IonicContact CE1-OE1 3.56Å; H227-E316 IonicContact NE2-OE1 3.92Å; H227-E316 PolarHBondContact NE2-OE1 3.02Å; H227-E316 IonicContact NE2-OE2 3.83Å |
| 228 | G | 93.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 54 Ų | 54 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 3.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L226 L230 N231 G308 T312 | L226-G228 PolarHBondContact O-N 3.19Å; G228-L230 VanDerWaalsContact C-N 3.28Å; G228-L230 PolarHBondContact O-N 3.47Å; G228-N231 WeakPolarHBondContact O-CB 3.23Å; G228-N231 PolarHBondContact O-N 3.4Å; G228-N231 VanDerWaalsContact O-N 3.08Å; G228-G308 CarbonylContact O-C 3.59Å; G228-G308 VanDerWaalsContact O-C 3.31Å; G228-T312 WeakPolarHBondContact CA-OG1 3.36Å |
| 229 | A | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -37.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G223 L226 H227 N231 G232 V233 A305 | G223-A229 WeakPolarHBondContact O-CB 3.11Å; L226-A229 HydrophobicContact CB-CB 4.45Å; L226-A229 VanDerWaalsContact O-CB 3.27Å; L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 3.2Å; H227-A229 PolarHBondContact O-N 3.12Å; H227-A229 VanDerWaalsContact O-N 3.15Å; A229-N231 PolarHBondContact O-N 3.21Å; A229-G232 PolarHBondContact O-N 3.47Å; A229-V233 PolarHBondContact O-N 2.77Å; A229-A305 WeakPolarHBondContact CA-O 3.43Å; A229-A305 HydrophobicContact CB-CB 4.21Å; A229-A305 WeakPolarHBondContact CB-O 3.22Å |
| 230 | L | 95.6 | Very high | 94.1 | Very high | 116 Ų | 116 | 57.8 Ų | 57.8 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63 | -26.4 | 178.2 | -69.7 | 176.8 | 0 | 0 | 0 | 113.1 | M224 G228 V233 K234 | M224-L230 HydrophobicContact CE-CD2 3.65Å; G228-L230 VanDerWaalsContact C-N 3.28Å; G228-L230 PolarHBondContact O-N 3.47Å; L230-V233 PolarHBondContact O-N 3.31Å; L230-K234 WeakPolarHBondContact O-CB 3.21Å; L230-K234 PolarHBondContact O-N 3.14Å |
| 231 | N | 94.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.1 | -65.5 | -30.1 | 0 | 0 | 0 | 110.9 | G228 A229 K234 Y235 T312 L373 | G228-N231 WeakPolarHBondContact O-CB 3.23Å; G228-N231 PolarHBondContact O-N 3.4Å; G228-N231 VanDerWaalsContact O-N 3.08Å; A229-N231 PolarHBondContact O-N 3.21Å; N231-K234 PolarHBondContact O-N 3.39Å; N231-Y235 WeakPolarHBondContact O-CB 3.5Å; N231-Y235 PolarHBondContact O-N 3.34Å; N231-T312 PolarHBondContact ND2-OG1 2.71Å; N231-L373 HydrophobicContact CB-CD1 4.4Å |
| 232 | G | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A229 K234 Y235 M236 F304 | A229-G232 PolarHBondContact O-N 3.47Å; G232-K234 PolarHBondContact O-N 2.67Å; G232-Y235 WeakPolarHBondContact O-CB 3.47Å; G232-Y235 PolarHBondContact O-N 3.43Å; G232-M236 PolarHBondContact O-N 3Å; G232-F304 WeakPolarHBondContact CA-O 3.38Å; G232-F304 WeakPolarHBondContact O-CD1 3.19Å |
| 233 | V | 95.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | M224 A229 L230 Y235 M236 F237 A305 | M224-V233 HydrophobicContact SD-CG2 4.12Å; A229-V233 PolarHBondContact O-N 2.77Å; L230-V233 PolarHBondContact O-N 3.31Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-M236 WeakPolarHBondContact O-CB 3.17Å; V233-M236 PolarHBondContact O-N 3.03Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 HydrophobicContact CG1-CE2 3.97Å; V233-F237 WeakPolarHBondContact O-CD2 3.44Å; V233-F237 PolarHBondContact O-N 3.4Å; V233-A305 HydrophobicContact CG2-CB 3.95Å |
| 234 | K | 94.4 | Very high | 93.3 | Very high | 152 Ų | 152 | 66.6 Ų | 66.6 | 66% | 0.661 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 173.9 | -175.5 | 179.7 | 176.7 | -173.7 | 0 | 111.2 | L230 N231 G232 M236 F237 T238 | L230-K234 WeakPolarHBondContact O-CB 3.21Å; L230-K234 PolarHBondContact O-N 3.14Å; N231-K234 PolarHBondContact O-N 3.39Å; G232-K234 PolarHBondContact O-N 2.67Å; K234-M236 VanDerWaalsContact C-N 3.34Å; K234-M236 PolarHBondContact O-N 3.16Å; K234-F237 PolarHBondContact O-N 3.06Å; K234-T238 WeakPolarHBondContact O-CB 3.29Å; K234-T238 PolarHBondContact O-N 3.12Å; K234-T238 PolarHBondContact O-OG1 2.97Å |
| 235 | Y | 91.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 67 Ų | 67 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 174.3 | -176.4 | -85.2 | 0 | 0 | 0 | 111.3 | Q45 N231 G232 V233 F237 T238 K240 F304 E370 L373 | Q45-Y235 HydrophobicContact CG-CE1 3.94Å; N231-Y235 WeakPolarHBondContact O-CB 3.5Å; N231-Y235 PolarHBondContact O-N 3.34Å; G232-Y235 WeakPolarHBondContact O-CB 3.47Å; G232-Y235 PolarHBondContact O-N 3.43Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-F237 VanDerWaalsContact C-N 3.3Å; Y235-F237 PolarHBondContact O-N 3.34Å; Y235-T238 PolarHBondContact O-N 3.46Å; Y235-K240 PolarHBondContact OH-NZ 2.91Å; Y235-F304 HydrophobicContact CD1-CD1 4.48Å; Y235-F304 AromaticContact CD1-CE1 3.91Å; Y235-F304 HydrophobicContact CD1-CE1 3.91Å; Y235-F304 HydrophobicContact CE1-CE1 4.42Å; Y235-E370 WeakPolarHBondContact CE2-OE1 3.48Å; Y235-L373 HydrophobicContact CD2-CB 3.98Å; Y235-L373 HydrophobicContact CD2-CD1 4.44Å; Y235-L373 HydrophobicContact CE2-CB 4.26Å; Y235-L373 HydrophobicContact CG-CB 4.36Å |
| 236 | M | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.7 | -41.7 | 176.9 | -176.8 | -171.6 | 161.9 | 0 | 0 | 112.8 | G49 G50 G232 V233 K234 I297 S300 I301 F304 | G49-M236 CarbonylContact C-O 3.46Å; G50-M236 VanDerWaalsContact CA-O 3.25Å; G50-M236 WeakPolarHBondContact CA-O 3.31Å; G50-M236 PolarHBondContact N-O 3.27Å; G232-M236 PolarHBondContact O-N 3Å; V233-M236 WeakPolarHBondContact O-CB 3.17Å; V233-M236 PolarHBondContact O-N 3.03Å; K234-M236 VanDerWaalsContact C-N 3.34Å; K234-M236 PolarHBondContact O-N 3.16Å; M236-I297 HydrophobicContact CE-CG2 4.47Å; M236-S300 VanDerWaalsContact CE-CB 3.47Å; M236-I301 HydrophobicContact CE-CG1 4.24Å; M236-I301 HydrophobicContact SD-CG1 4.07Å; M236-F304 HydrophobicContact CB-CB 4.08Å; M236-F304 HydrophobicContact CB-CD1 3.81Å; M236-F304 HydrophobicContact CB-CD2 3.78Å; M236-F304 HydrophobicContact CB-CE1 4.12Å; M236-F304 HydrophobicContact CB-CE2 4.1Å; M236-F304 HydrophobicContact CB-CG 3.63Å; M236-F304 HydrophobicContact CB-CZ 4.25Å; M236-F304 HydrophobicContact CG-CD2 3.63Å; M236-F304 HydrophobicContact CG-CE2 3.76Å; M236-F304 HydrophobicContact CG-CG 4.03Å; M236-F304 HydrophobicContact CG-CZ 4.26Å; M236-F304 HydrophobicContact SD-CB 4.35Å; M236-F304 HydrophobicContact SD-CD2 3.61Å; M236-F304 HydrophobicContact SD-CE2 4.19Å; M236-F304 HydrophobicContact SD-CG 4.18Å |
| 237 | F | 94.3 | Very high | 92.5 | Very high | 100 Ų | 100 | 67.7 Ų | 67.7 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -92.3 | -3.4 | -175.9 | -73.4 | -67.4 | 0 | 0 | 0 | 114.5 | L53 V233 K234 Y235 P239 I301 | L53-F237 HydrophobicContact CD1-CD1 4.32Å; L53-F237 HydrophobicContact CD1-CE1 4.08Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 HydrophobicContact CG1-CE2 3.97Å; V233-F237 WeakPolarHBondContact O-CD2 3.44Å; V233-F237 PolarHBondContact O-N 3.4Å; K234-F237 PolarHBondContact O-N 3.06Å; Y235-F237 VanDerWaalsContact C-N 3.3Å; Y235-F237 PolarHBondContact O-N 3.34Å; F237-P239 VanDerWaalsContact O-CD 3.23Å; F237-P239 WeakPolarHBondContact O-CD 3.28Å; F237-I301 HydrophobicContact CE2-CD1 4.45Å; F237-I301 HydrophobicContact CE2-CG1 4.11Å; F237-I301 HydrophobicContact CZ-CD1 4.11Å; F237-I301 HydrophobicContact CZ-CG1 4.04Å |
| 238 | T | 92.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 64 Ų | 64 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -81.2 | 111 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | K234 Y235 | K234-T238 WeakPolarHBondContact O-CB 3.29Å; K234-T238 PolarHBondContact O-N 3.12Å; K234-T238 PolarHBondContact O-OG1 2.97Å; Y235-T238 PolarHBondContact O-N 3.46Å |
| 239 | P | 92.7 | Very high | 92.2 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 123.8 | -172.6 | 32.8 | -32.2 | 0 | 0 | 0 | 111.7 | F237 M241 | F237-P239 VanDerWaalsContact O-CD 3.23Å; F237-P239 WeakPolarHBondContact O-CD 3.28Å; P239-M241 HydrophobicContact CB-CE 3.68Å; P239-M241 HydrophobicContact CB-SD 4.26Å; P239-M241 HydrophobicContact CG-CE 3.65Å; P239-M241 PolarHBondContact O-N 3.31Å |
| 240 | K | 90.4 | Very high | 92 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 39% | 0.391 | 35% | 0.348 | S | S | . | . | trans | -91.5 | 95.9 | 168.8 | -59.2 | -179.4 | 178.7 | 176.1 | 0 | 108.8 | G48 Y235 E242 E243 E370 | G48-K240 PolarHBondContact O-N 3.15Å; Y235-K240 PolarHBondContact OH-NZ 2.91Å; K240-E242 PolarHBondContact O-N 3.48Å; K240-E243 PolarHBondContact O-N 2.91Å; K240-E370 IonicContact NZ-OE1 3.81Å | ||
| 241 | M | 90.9 | Very high | 91.7 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -65.6 | -21.9 | -172.1 | -63.4 | -59.1 | 179.2 | 0 | 0 | 113.9 | P239 E243 L244 | P239-M241 HydrophobicContact CB-CE 3.68Å; P239-M241 HydrophobicContact CB-SD 4.26Å; P239-M241 HydrophobicContact CG-CE 3.65Å; P239-M241 PolarHBondContact O-N 3.31Å; M241-E243 PolarHBondContact O-N 3.43Å; M241-L244 WeakPolarHBondContact O-CB 3.03Å; M241-L244 PolarHBondContact O-N 2.85Å; M241-L244 VanDerWaalsContact O-N 3.17Å; M241-L244 HydrophobicContact SD-CD1 3.89Å |
| 242 | E | 91.8 | Very high | 91.5 | Very high | 173 Ų | 173 | 60.7 Ų | 60.7 | 81% | 0.808 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -59.6 | -33.5 | 177.2 | -64.2 | 171.7 | -167.1 | 0 | 0 | 111.9 | K240 L244 A245 | K240-E242 PolarHBondContact O-N 3.48Å; E242-L244 PolarHBondContact O-N 3.31Å; E242-A245 WeakPolarHBondContact O-CB 3.36Å; E242-A245 PolarHBondContact O-N 3.04Å; E242-A245 VanDerWaalsContact O-N 3.16Å |
| 243 | E | 89.8 | Confident | 91.5 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -68 | -17.7 | 179.6 | -70.6 | -61 | 151.8 | 0 | 0 | 113.8 | K240 M241 A245 N246 T249 | K240-E243 PolarHBondContact O-N 2.91Å; M241-E243 PolarHBondContact O-N 3.43Å; E243-A245 VanDerWaalsContact C-N 3.26Å; E243-A245 PolarHBondContact O-N 3.43Å; E243-N246 WeakPolarHBondContact O-CB 3.4Å; E243-N246 PolarHBondContact O-N 3.49Å; E243-T249 WeakPolarHBondContact O-CB 3.47Å; E243-T249 PolarHBondContact O-OG1 3.29Å |
| 244 | L | 91 | Very high | 91.3 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -72 | -22.4 | 176.1 | -63.5 | 177.5 | 0 | 0 | 0 | 112.5 | I54 P55 M241 E242 N246 W250 | I54-L244 HydrophobicContact CD1-CD1 4.2Å; P55-L244 HydrophobicContact CG-CD2 4.21Å; M241-L244 WeakPolarHBondContact O-CB 3.03Å; M241-L244 PolarHBondContact O-N 2.85Å; M241-L244 VanDerWaalsContact O-N 3.17Å; M241-L244 HydrophobicContact SD-CD1 3.89Å; E242-L244 PolarHBondContact O-N 3.31Å; L244-N246 VanDerWaalsContact C-N 3.28Å; L244-W250 PolarHBondContact O-NE1 2.99Å |
| 245 | A | 92.5 | Very high | 91.1 | Very high | 88 Ų | 88 | 52.6 Ų | 52.6 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -77.1 | -16.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E242 E243 P247 | E242-A245 WeakPolarHBondContact O-CB 3.36Å; E242-A245 PolarHBondContact O-N 3.04Å; E242-A245 VanDerWaalsContact O-N 3.16Å; E243-A245 VanDerWaalsContact C-N 3.26Å; E243-A245 PolarHBondContact O-N 3.43Å; A245-P247 WeakPolarHBondContact O-CD 3.41Å |
| 246 | N | 89.7 | Confident | 91.1 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | trans | -80.2 | 117.7 | 179.8 | -173.5 | -12.3 | 0 | 0 | 0 | 110.6 | E243 L244 T248 T249 | E243-N246 WeakPolarHBondContact O-CB 3.4Å; E243-N246 PolarHBondContact O-N 3.49Å; L244-N246 VanDerWaalsContact C-N 3.28Å; N246-T248 PolarHBondContact O-N 2.88Å; N246-T248 VanDerWaalsContact OD1-CB 3.26Å; N246-T248 WeakPolarHBondContact OD1-CB 3.38Å; N246-T248 PolarHBondContact OD1-N 3.26Å; N246-T248 PolarHBondContact OD1-OG1 3.27Å; N246-T249 VanDerWaalsContact O-CB 3.28Å; N246-T249 WeakPolarHBondContact O-CB 3.43Å; N246-T249 PolarHBondContact O-N 3.31Å; N246-T249 VanDerWaalsContact O-N 3.14Å | ||
| 247 | P | 87.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.5 | -30.1 | 178.7 | -24.3 | 34.9 | 0 | 0 | 0 | 113.5 | A245 T249 W250 I251 F531 | A245-P247 WeakPolarHBondContact O-CD 3.41Å; P247-T249 PolarHBondContact O-N 2.78Å; P247-W250 PolarHBondContact O-N 3.09Å; P247-W250 VanDerWaalsContact O-N 3.13Å; P247-I251 PolarHBondContact O-N 3.48Å; P247-I251 VanDerWaalsContact O-N 3.15Å; P247-F531 HydrophobicContact CB-CD1 4.47Å |
| 248 | T | 88.4 | Confident | 91.2 | Very high | 37 Ų | 37 | 47 Ų | 47 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 179.7 | -43.5 | 0 | 0 | 0 | 0 | 111.4 | N246 W250 I251 N252 | N246-T248 PolarHBondContact O-N 2.88Å; N246-T248 VanDerWaalsContact OD1-CB 3.26Å; N246-T248 WeakPolarHBondContact OD1-CB 3.38Å; N246-T248 PolarHBondContact OD1-N 3.26Å; N246-T248 PolarHBondContact OD1-OG1 3.27Å; T248-W250 VanDerWaalsContact C-N 3.31Å; T248-W250 PolarHBondContact O-N 3.5Å; T248-I251 PolarHBondContact O-N 3.02Å; T248-N252 WeakPolarHBondContact O-CB 3.18Å; T248-N252 PolarHBondContact O-N 3.12Å; T248-N252 PolarHBondContact O-ND2 2.87Å |
| 249 | T | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | H47 F52 P55 E243 N246 P247 A253 | H47-T249 HydrophobicContact CB-CG2 3.92Å; H47-T249 PolarHBondContact ND1-OG1 3.44Å; H47-T249 VanDerWaalsContact ND1-OG1 3.08Å; F52-T249 HydrophobicContact CD2-CG2 4.16Å; P55-T249 HydrophobicContact CG-CG2 3.95Å; E243-T249 WeakPolarHBondContact O-CB 3.47Å; E243-T249 PolarHBondContact O-OG1 3.29Å; N246-T249 VanDerWaalsContact O-CB 3.28Å; N246-T249 WeakPolarHBondContact O-CB 3.43Å; N246-T249 PolarHBondContact O-N 3.31Å; N246-T249 VanDerWaalsContact O-N 3.14Å; P247-T249 PolarHBondContact O-N 2.78Å; T249-A253 WeakPolarHBondContact O-CB 3.27Å; T249-A253 PolarHBondContact O-N 3.36Å |
| 250 | W | 91.5 | Very high | 91.1 | Very high | 79 Ų | 79 | 42 Ų | 42 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.4 | -38.8 | 179.9 | -67.5 | 88.6 | 0 | 0 | 0 | 112.6 | P55 L58 M59 L244 P247 T248 A253 A254 | P55-W250 HydrophobicContact CB-CD2 3.75Å; P55-W250 HydrophobicContact CB-CE3 3.47Å; P55-W250 VanDerWaalsContact CB-CE3 3.47Å; P55-W250 HydrophobicContact CB-CG 4.44Å; P55-W250 HydrophobicContact CB-CH2 4.08Å; P55-W250 HydrophobicContact CB-CZ2 4.29Å; P55-W250 HydrophobicContact CB-CZ3 3.66Å; L58-W250 HydrophobicContact CD1-CH2 3.85Å; L58-W250 HydrophobicContact CD1-CZ3 4.06Å; M59-W250 HydrophobicContact CE-CE3 3.61Å; M59-W250 HydrophobicContact CE-CZ3 4.2Å; L244-W250 PolarHBondContact O-NE1 2.99Å; P247-W250 PolarHBondContact O-N 3.09Å; P247-W250 VanDerWaalsContact O-N 3.13Å; T248-W250 VanDerWaalsContact C-N 3.31Å; T248-W250 PolarHBondContact O-N 3.5Å; W250-A253 PolarHBondContact O-N 3.02Å; W250-A254 WeakPolarHBondContact O-CB 3.26Å; W250-A254 PolarHBondContact O-N 2.88Å |
| 251 | I | 88.9 | Confident | 91.3 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 174 | -63.3 | 169.7 | 0 | 0 | 0 | 110.4 | P247 T248 A253 A254 T255 L528 F531 Y532 | P247-I251 PolarHBondContact O-N 3.48Å; P247-I251 VanDerWaalsContact O-N 3.15Å; T248-I251 PolarHBondContact O-N 3.02Å; I251-A253 VanDerWaalsContact C-N 3.33Å; I251-A253 PolarHBondContact O-N 2.63Å; I251-A254 PolarHBondContact O-N 3.32Å; I251-T255 HydrophobicContact CG2-CG2 4.22Å; I251-T255 WeakPolarHBondContact O-CB 3.34Å; I251-T255 VanDerWaalsContact O-CG2 3.28Å; I251-T255 WeakPolarHBondContact O-CG2 3.25Å; I251-T255 PolarHBondContact O-N 2.96Å; I251-T255 PolarHBondContact O-OG1 3.4Å; I251-L528 HydrophobicContact CG1-CD2 4.21Å; I251-F531 HydrophobicContact CD1-CB 3.85Å; I251-F531 HydrophobicContact CG1-CB 4.43Å; I251-Y532 HydrophobicContact CG2-CD2 4.1Å |
| 252 | N | 90.3 | Very high | 91.4 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -35.1 | 179.4 | -75.4 | -23.7 | 0 | 0 | 0 | 112 | L43 H47 T248 T255 Q256 | L43-N252 HydrophobicContact CD2-CB 4.15Å; H47-N252 PolarHBondContact CE1-ND2 3.23Å; H47-N252 PolarHBondContact NE2-ND2 3.34Å; T248-N252 WeakPolarHBondContact O-CB 3.18Å; T248-N252 PolarHBondContact O-N 3.12Å; T248-N252 PolarHBondContact O-ND2 2.87Å; N252-T255 WeakPolarHBondContact CA-OG1 3.4Å; N252-T255 PolarHBondContact O-OG1 2.94Å; N252-Q256 WeakPolarHBondContact O-CB 3.5Å; N252-Q256 PolarHBondContact O-N 2.94Å |
| 253 | A | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F52 P55 M59 T249 W250 I251 Q256 I257 | F52-A253 HydrophobicContact CE2-CB 3.83Å; F52-A253 HydrophobicContact CZ-CB 4.12Å; P55-A253 HydrophobicContact CB-CB 3.88Å; P55-A253 HydrophobicContact CG-CB 4.27Å; M59-A253 HydrophobicContact CG-CB 4.47Å; T249-A253 WeakPolarHBondContact O-CB 3.27Å; T249-A253 PolarHBondContact O-N 3.36Å; W250-A253 PolarHBondContact O-N 3.02Å; I251-A253 VanDerWaalsContact C-N 3.33Å; I251-A253 PolarHBondContact O-N 2.63Å; A253-Q256 PolarHBondContact O-N 3.49Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 3.22Å; A253-I257 VanDerWaalsContact O-N 3.13Å |
| 254 | A | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.3 | -48 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | M59 W250 I251 Q256 I257 F258 L528 | M59-A254 HydrophobicContact CB-CB 4.41Å; M59-A254 HydrophobicContact CG-CB 3.96Å; M59-A254 HydrophobicContact SD-CB 3.99Å; W250-A254 WeakPolarHBondContact O-CB 3.26Å; W250-A254 PolarHBondContact O-N 2.88Å; I251-A254 PolarHBondContact O-N 3.32Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 3.48Å; A254-I257 WeakPolarHBondContact O-CA 3.32Å; A254-I257 WeakPolarHBondContact O-CB 3.43Å; A254-I257 PolarHBondContact O-N 3.42Å; A254-F258 WeakPolarHBondContact O-CD1 3.24Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.2Å; A254-L528 HydrophobicContact CB-CD1 3.41Å; A254-L528 VanDerWaalsContact CB-CD1 3.41Å; A254-L528 HydrophobicContact CB-CD2 4.17Å; A254-L528 HydrophobicContact CB-CG 4.44Å |
| 255 | T | 88.8 | Confident | 91.9 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | I251 N252 I257 F258 F259 T474 L478 | I251-T255 HydrophobicContact CG2-CG2 4.22Å; I251-T255 WeakPolarHBondContact O-CB 3.34Å; I251-T255 VanDerWaalsContact O-CG2 3.28Å; I251-T255 WeakPolarHBondContact O-CG2 3.25Å; I251-T255 PolarHBondContact O-N 2.96Å; I251-T255 PolarHBondContact O-OG1 3.4Å; N252-T255 WeakPolarHBondContact CA-OG1 3.4Å; N252-T255 PolarHBondContact O-OG1 2.94Å; T255-I257 VanDerWaalsContact C-N 3.3Å; T255-I257 PolarHBondContact O-N 3.28Å; T255-F258 PolarHBondContact O-N 3.39Å; T255-F258 VanDerWaalsContact O-N 3.14Å; T255-F259 VanDerWaalsContact O-CD2 3.26Å; T255-F259 WeakPolarHBondContact O-CD2 3.5Å; T255-F259 PolarHBondContact O-N 3.49Å; T255-T474 HydrophobicContact CG2-CG2 3.71Å; T255-L478 HydrophobicContact CG2-CD2 4.05Å; T255-L478 HydrophobicContact CG2-CG 4.49Å |
| 256 | Q | 93.6 | Very high | 92 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 172.4 | 178.5 | 59.2 | 29 | 0 | 0 | 112 | R39 F40 L43 Y56 N252 A253 A254 S260 | R39-Q256 VanDerWaalsContact CD-OE1 3.29Å; F40-Q256 HydrophobicContact CD2-CG 3.93Å; L43-Q256 HydrophobicContact CD1-CB 3.87Å; L43-Q256 HydrophobicContact CD1-CG 4.06Å; Y56-Q256 HydrophobicContact CD2-CG 4.4Å; Y56-Q256 HydrophobicContact CE2-CG 4.03Å; N252-Q256 WeakPolarHBondContact O-CB 3.5Å; N252-Q256 PolarHBondContact O-N 2.94Å; A253-Q256 PolarHBondContact O-N 3.49Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 3.48Å; Q256-S260 WeakPolarHBondContact O-CB 3.37Å; Q256-S260 PolarHBondContact O-N 2.9Å |
| 257 | I | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 173.6 | -69.7 | -70.8 | 0 | 0 | 0 | 111 | Y56 M59 L60 G64 A253 A254 T255 S260 L261 | Y56-I257 HydrophobicContact CD2-CD1 3.64Å; Y56-I257 HydrophobicContact CD2-CG1 3.83Å; Y56-I257 HydrophobicContact CE1-CD1 4.24Å; Y56-I257 HydrophobicContact CE2-CD1 3.15Å; Y56-I257 HydrophobicContact CE2-CG1 3.71Å; Y56-I257 HydrophobicContact CG-CD1 4.37Å; M59-I257 HydrophobicContact CB-CG1 4.21Å; L60-I257 HydrophobicContact CB-CD1 3.71Å; L60-I257 HydrophobicContact CD1-CD1 3.95Å; L60-I257 HydrophobicContact CG-CD1 4.39Å; G64-I257 VanDerWaalsContact CA-CG2 3.44Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 3.22Å; A253-I257 VanDerWaalsContact O-N 3.13Å; A254-I257 WeakPolarHBondContact O-CA 3.32Å; A254-I257 WeakPolarHBondContact O-CB 3.43Å; A254-I257 PolarHBondContact O-N 3.42Å; T255-I257 VanDerWaalsContact C-N 3.3Å; T255-I257 PolarHBondContact O-N 3.28Å; I257-S260 PolarHBondContact O-N 3.11Å; I257-L261 HydrophobicContact CG2-CD1 3.87Å; I257-L261 HydrophobicContact CG2-CG 4.5Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 PolarHBondContact O-N 3.07Å |
| 258 | F | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 0% | 0.004 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | -178.4 | -60.5 | -6.8 | 0 | 0 | 0 | 111.8 | E63 L67 A254 T255 G262 L263 L478 L525 | E63-F258 HydrophobicContact CB-CE1 3.94Å; E63-F258 HydrophobicContact CB-CZ 4.38Å; E63-F258 WeakPolarHBondContact OE2-CE1 3.41Å; E63-F258 WeakPolarHBondContact OE2-CZ 3.28Å; L67-F258 HydrophobicContact CD1-CE1 4.02Å; L67-F258 HydrophobicContact CD1-CZ 4.4Å; A254-F258 WeakPolarHBondContact O-CD1 3.24Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.2Å; T255-F258 PolarHBondContact O-N 3.39Å; T255-F258 VanDerWaalsContact O-N 3.14Å; F258-G262 WeakPolarHBondContact O-CA 3.36Å; F258-G262 PolarHBondContact O-N 2.97Å; F258-L263 HydrophobicContact CB-CB 4.49Å; F258-L263 HydrophobicContact CD1-CD1 3.79Å; F258-L263 HydrophobicContact CE1-CD1 4.36Å; F258-L263 PolarHBondContact O-N 3.5Å; F258-L478 HydrophobicContact CD2-CD2 3.91Å; F258-L478 HydrophobicContact CE2-CD2 3.55Å; F258-L525 HydrophobicContact CE2-CD2 3.53Å; F258-L525 HydrophobicContact CZ-CD2 3.39Å |
| 259 | F | 90 | Very high | 93.1 | Very high | 22 Ų | 22 | 7.8 Ų | 7.8 | 10% | 0.096 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.6 | -84.8 | -75.3 | 0 | 0 | 0 | 112.3 | R39 T255 F265 A473 T474 L477 | R39-F259 VanDerWaalsContact NH1-CD2 3.31Å; T255-F259 VanDerWaalsContact O-CD2 3.26Å; T255-F259 WeakPolarHBondContact O-CD2 3.5Å; T255-F259 PolarHBondContact O-N 3.49Å; F259-F265 HydrophobicContact CD1-CE2 4.45Å; F259-F265 AromaticContact CD1-CZ 3.97Å; F259-F265 HydrophobicContact CD1-CZ 3.97Å; F259-F265 HydrophobicContact CE1-CZ 4.04Å; F259-A473 HydrophobicContact CE1-CB 3.64Å; F259-A473 HydrophobicContact CZ-CB 3.59Å; F259-T474 WeakPolarHBondContact CE2-OG1 3.02Å; F259-L477 HydrophobicContact CD1-CD1 4.16Å; F259-L477 HydrophobicContact CD2-CD1 4.27Å; F259-L477 HydrophobicContact CE1-CD1 3.87Å; F259-L477 HydrophobicContact CE2-CD1 3.98Å; F259-L477 HydrophobicContact CG-CD1 4.36Å; F259-L477 HydrophobicContact CZ-CD1 3.78Å |
| 260 | S | 93.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 7.8 Ų | 7.8 | 4% | 0.035 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -75.4 | -36.8 | -175.1 | -173 | 0 | 0 | 0 | 0 | 112.7 | A31 N36 Q256 I257 N292 | A31-S260 CarbonylContact C-O 3.59Å; A31-S260 WeakPolarHBondContact CA-O 3.43Å; A31-S260 WeakPolarHBondContact CB-O 3.41Å; N36-S260 PolarHBondContact ND2-OG 3.34Å; Q256-S260 WeakPolarHBondContact O-CB 3.37Å; Q256-S260 PolarHBondContact O-N 2.9Å; I257-S260 PolarHBondContact O-N 3.11Å; S260-N292 PolarHBondContact OG-ND2 2.94Å; S260-N292 PolarHBondContact OG-OD1 3.48Å |
| 261 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -84.3 | -15.2 | 174.4 | -69.3 | 178.1 | 0 | 0 | 0 | 112.9 | L60 F68 I257 L263 N292 | L60-L261 HydrophobicContact CD1-CD1 4.13Å; F68-L261 HydrophobicContact CD2-CB 3.97Å; F68-L261 HydrophobicContact CD2-CD1 4.49Å; F68-L261 HydrophobicContact CD2-CD2 4.31Å; F68-L261 HydrophobicContact CD2-CG 4.49Å; F68-L261 HydrophobicContact CE2-CB 4.38Å; F68-L261 HydrophobicContact CE2-CD2 4.47Å; F68-L261 WeakPolarHBondContact CE2-O 3.16Å; I257-L261 HydrophobicContact CG2-CD1 3.87Å; I257-L261 HydrophobicContact CG2-CG 4.5Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 PolarHBondContact O-N 3.07Å; L261-L263 HydrophobicContact CB-CD1 4.36Å; L261-L263 HydrophobicContact CB-CD2 4.41Å; L261-L263 HydrophobicContact CB-CG 3.97Å; L261-L263 HydrophobicContact CD1-CD1 4.39Å; L261-N292 HydrophobicContact CD2-CB 3.92Å; L261-N292 VanDerWaalsContact CD2-ND2 3.32Å; L261-N292 WeakPolarHBondContact CD2-ND2 3.26Å |
| 262 | G | 93.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 38.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y30 F258 | Y30-G262 WeakPolarHBondContact OH-CA 3.43Å; F258-G262 WeakPolarHBondContact O-CA 3.36Å; F258-G262 PolarHBondContact O-N 2.97Å |
| 263 | L | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 142.5 | 179 | -60.2 | 174.5 | 0 | 0 | 0 | 111.4 | L67 F68 E71 F258 L261 F265 L268 L477 V481 | L67-L263 HydrophobicContact CB-CD1 3.83Å; L67-L263 HydrophobicContact CB-CD2 4.09Å; L67-L263 HydrophobicContact CD1-CD1 4.08Å; F68-L263 HydrophobicContact CB-CD2 3.95Å; F68-L263 HydrophobicContact CD2-CD2 4.01Å; F68-L263 HydrophobicContact CG-CD2 4.43Å; E71-L263 VanDerWaalsContact OE1-CA 3.28Å; E71-L263 WeakPolarHBondContact OE1-CA 3.35Å; F258-L263 HydrophobicContact CB-CB 4.49Å; F258-L263 HydrophobicContact CD1-CD1 3.79Å; F258-L263 HydrophobicContact CE1-CD1 4.36Å; F258-L263 PolarHBondContact O-N 3.5Å; L261-L263 HydrophobicContact CB-CD1 4.36Å; L261-L263 HydrophobicContact CB-CD2 4.41Å; L261-L263 HydrophobicContact CB-CG 3.97Å; L261-L263 HydrophobicContact CD1-CD1 4.39Å; L263-F265 WeakPolarHBondContact O-CD2 3.41Å; L263-F265 PolarHBondContact O-N 3.12Å; L263-L268 HydrophobicContact CD2-CD1 3.91Å; L263-L477 WeakPolarHBondContact O-CD2 3.47Å; L263-V481 HydrophobicContact CB-CG2 4.25Å |
| 264 | G | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -5.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E71 S100 G266 I480 | E71-G264 PolarHBondContact OE1-N 3.37Å; S100-G264 VanDerWaalsContact CB-O 3.28Å; S100-G264 WeakPolarHBondContact CB-O 3.47Å; S100-G264 PolarHBondContact OG-O 3.13Å; G264-G266 VanDerWaalsContact C-N 3.32Å; G264-I480 WeakPolarHBondContact O-CG2 3.31Å |
| 265 | F | 94.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 2.7 Ų | 2.7 | 1% | 0.009 | 1% | 0.013 | C | C | . | . | S | Bend | trans | -78.5 | -16.9 | 175.5 | -67.5 | -72 | 0 | 0 | 0 | 112.9 | Y30 S100 T103 S104 L107 F259 L263 S267 A473 L477 | Y30-F265 WeakPolarHBondContact OH-CD2 3.45Å; S100-F265 WeakPolarHBondContact CB-O 3.31Å; T103-F265 HydrophobicContact CG2-CD1 4.17Å; T103-F265 HydrophobicContact CG2-CE1 3.85Å; S104-F265 PolarHBondContact OG-O 3.24Å; L107-F265 HydrophobicContact CD1-CD1 4.49Å; L107-F265 HydrophobicContact CD1-CE1 3.53Å; L107-F265 HydrophobicContact CD1-CZ 4.09Å; L107-F265 HydrophobicContact CD2-CD1 4.12Å; L107-F265 HydrophobicContact CD2-CE1 3.37Å; L107-F265 HydrophobicContact CD2-CE2 4.24Å; L107-F265 HydrophobicContact CD2-CZ 3.41Å; L107-F265 VanDerWaalsContact CD2-CZ 3.41Å; L107-F265 HydrophobicContact CG-CE1 4.05Å; L107-F265 HydrophobicContact CG-CZ 4.39Å; F259-F265 HydrophobicContact CD1-CE2 4.45Å; F259-F265 AromaticContact CD1-CZ 3.97Å; F259-F265 HydrophobicContact CD1-CZ 3.97Å; F259-F265 HydrophobicContact CE1-CZ 4.04Å; L263-F265 WeakPolarHBondContact O-CD2 3.41Å; L263-F265 PolarHBondContact O-N 3.12Å; F265-S267 PolarHBondContact O-N 2.96Å; F265-A473 HydrophobicContact CE1-CB 4.36Å; F265-L477 HydrophobicContact CD1-CD2 4.01Å; F265-L477 HydrophobicContact CD2-CD2 4.19Å; F265-L477 HydrophobicContact CE1-CD1 4.08Å; F265-L477 HydrophobicContact CE1-CD2 3.75Å; F265-L477 HydrophobicContact CE1-CG 4.29Å; F265-L477 HydrophobicContact CE2-CD1 3.86Å; F265-L477 HydrophobicContact CE2-CD2 3.97Å; F265-L477 HydrophobicContact CG-CD2 4.24Å; F265-L477 HydrophobicContact CZ-CD1 3.43Å; F265-L477 VanDerWaalsContact CZ-CD1 3.43Å; F265-L477 HydrophobicContact CZ-CD2 3.77Å; F265-L477 HydrophobicContact CZ-CG 4.1Å |
| 266 | G | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 77.4 | -1.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G264 A270 | G264-G266 VanDerWaalsContact C-N 3.32Å; G266-A270 WeakPolarHBondContact O-CB 3.49Å; G266-A270 PolarHBondContact O-N 3.35Å |
| 267 | S | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.1 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | Y30 F265 A270 F271 G418 A422 | Y30-S267 VanDerWaalsContact CZ-CB 3.41Å; Y30-S267 VanDerWaalsContact CZ-OG 3.29Å; Y30-S267 WeakPolarHBondContact OH-CB 3.4Å; Y30-S267 PolarHBondContact OH-OG 3.46Å; F265-S267 PolarHBondContact O-N 2.96Å; S267-A270 WeakPolarHBondContact O-CB 3.38Å; S267-A270 PolarHBondContact O-N 3.34Å; S267-F271 WeakPolarHBondContact O-CG 3.35Å; S267-F271 PolarHBondContact O-N 3.29Å; S267-G418 PolarHBondContact OG-O 3.01Å; S267-A422 WeakPolarHBondContact OG-CB 3.29Å |
| 268 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.1 | -43 | -178.3 | -60.4 | 176.1 | 0 | 0 | 0 | 111.5 | Y30 F68 E71 L72 L263 A270 F271 A272 | Y30-L268 HydrophobicContact CD1-CD2 3.95Å; Y30-L268 HydrophobicContact CE1-CD2 3.98Å; Y30-L268 HydrophobicContact CE1-CG 4.26Å; F68-L268 HydrophobicContact CD2-CD1 3.38Å; F68-L268 HydrophobicContact CD2-CD2 4.39Å; F68-L268 HydrophobicContact CE2-CD1 3.36Å; F68-L268 HydrophobicContact CE2-CD2 3.51Å; F68-L268 HydrophobicContact CE2-CG 4.07Å; F68-L268 HydrophobicContact CG-CD1 4.19Å; F68-L268 HydrophobicContact CZ-CD1 4.14Å; F68-L268 HydrophobicContact CZ-CD2 3.69Å; E71-L268 HydrophobicContact CB-CB 4.21Å; L72-L268 HydrophobicContact CD2-CB 3.96Å; L263-L268 HydrophobicContact CD2-CD1 3.91Å; L268-A270 VanDerWaalsContact C-N 3.28Å; L268-A270 PolarHBondContact O-N 3.47Å; L268-F271 PolarHBondContact O-N 3.06Å; L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.38Å; L268-A272 PolarHBondContact O-N 2.76Å |
| 269 | I | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 171.3 | -59.1 | 177.3 | 0 | 0 | 0 | 109.8 | E71 G75 A85 W86 S273 | E71-I269 HydrophobicContact CB-CG1 4.03Å; E71-I269 HydrophobicContact CG-CD1 4.39Å; E71-I269 HydrophobicContact CG-CG1 4.13Å; G75-I269 WeakPolarHBondContact CA-O 3.46Å; A85-I269 HydrophobicContact CB-CG2 4.07Å; W86-I269 HydrophobicContact CZ2-CD1 3.87Å; I269-S273 WeakPolarHBondContact O-CB 3.39Å; I269-S273 PolarHBondContact O-N 2.97Å |
| 270 | A | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -49.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | G266 S267 L268 A272 S273 Y274 T421 T425 | G266-A270 WeakPolarHBondContact O-CB 3.49Å; G266-A270 PolarHBondContact O-N 3.35Å; S267-A270 WeakPolarHBondContact O-CB 3.38Å; S267-A270 PolarHBondContact O-N 3.34Å; L268-A270 VanDerWaalsContact C-N 3.28Å; L268-A270 PolarHBondContact O-N 3.47Å; A270-A272 PolarHBondContact O-N 2.92Å; A270-S273 WeakPolarHBondContact O-CB 3.27Å; A270-S273 PolarHBondContact O-N 3.15Å; A270-S273 PolarHBondContact O-OG 2.88Å; A270-Y274 WeakPolarHBondContact O-CD2 3.43Å; A270-Y274 WeakPolarHBondContact O-CE2 3.46Å; A270-T421 HydrophobicContact CB-CG2 4.08Å; A270-T425 HydrophobicContact CB-CG2 4.05Å |
| 271 | F | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.3 | -74.5 | -16.2 | 0 | 0 | 0 | 112.9 | W17 F23 Y30 S267 L268 S273 Y274 G418 T421 | W17-F271 HydrophobicContact CH2-CD1 4.39Å; W17-F271 HydrophobicContact CH2-CE1 4.48Å; W17-F271 HydrophobicContact CZ2-CB 4.33Å; W17-F271 AromaticContact CZ2-CD1 3.89Å; W17-F271 HydrophobicContact CZ2-CD1 3.89Å; W17-F271 HydrophobicContact CZ2-CE1 4.42Å; W17-F271 HydrophobicContact CZ2-CG 4.23Å; W17-F271 PolarHBondContact NE1-O 3.34Å; F23-F271 HydrophobicContact CD2-CB 4.44Å; F23-F271 HydrophobicContact CE2-CB 3.93Å; Y30-F271 HydrophobicContact CD1-CE2 4.39Å; Y30-F271 HydrophobicContact CG-CE2 4.18Å; S267-F271 WeakPolarHBondContact O-CG 3.35Å; S267-F271 PolarHBondContact O-N 3.29Å; L268-F271 PolarHBondContact O-N 3.06Å; F271-S273 PolarHBondContact O-N 3.43Å; F271-Y274 PolarHBondContact O-N 3.23Å; F271-G418 VanDerWaalsContact CZ-CA 3.44Å; F271-T421 HydrophobicContact CD1-CG2 3.77Å; F271-T421 HydrophobicContact CE1-CG2 3.7Å |
| 272 | A | 97 | Very high | 95 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.8 | -26.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 Q76 L268 A270 Y274 N275 | L72-A272 HydrophobicContact CB-CB 4.4Å; L72-A272 HydrophobicContact CD2-CB 4.01Å; L72-A272 WeakPolarHBondContact O-CB 3.33Å; Q76-A272 WeakPolarHBondContact CA-O 3.47Å; Q76-A272 HydrophobicContact CB-CB 4.44Å; L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.38Å; L268-A272 PolarHBondContact O-N 2.76Å; A270-A272 PolarHBondContact O-N 2.92Å; A272-Y274 PolarHBondContact O-N 2.96Å; A272-N275 VanDerWaalsContact O-CB 3.25Å; A272-N275 WeakPolarHBondContact O-CB 3.49Å; A272-N275 PolarHBondContact O-N 3.49Å |
| 273 | S | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -22.1 | 177.7 | 80 | 0 | 0 | 0 | 0 | 114.4 | R14 G75 R79 I269 A270 F271 | R14-S273 WeakPolarHBondContact CD-O 3.41Å; R14-S273 PolarHBondContact NH1-OG 3.22Å; G75-S273 VanDerWaalsContact O-CA 3.27Å; G75-S273 WeakPolarHBondContact O-CA 3.47Å; R79-S273 PolarHBondContact NE-O 3.14Å; I269-S273 WeakPolarHBondContact O-CB 3.39Å; I269-S273 PolarHBondContact O-N 2.97Å; A270-S273 WeakPolarHBondContact O-CB 3.27Å; A270-S273 PolarHBondContact O-N 3.15Å; A270-S273 PolarHBondContact O-OG 2.88Å; F271-S273 PolarHBondContact O-N 3.43Å |
| 274 | Y | 95 | Very high | 95.2 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.3 | 174.6 | -60.3 | -79.1 | 0 | 0 | 0 | 112.5 | R14 D15 N16 W17 V198 A270 F271 A272 T421 T425 | R14-Y274 HydrophobicContact CG-CD1 3.53Å; R14-Y274 HydrophobicContact CG-CE1 3.56Å; D15-Y274 HydrophobicContact CB-CD1 4.36Å; D15-Y274 VanDerWaalsContact O-CD1 3.3Å; D15-Y274 WeakPolarHBondContact O-CD1 3.49Å; N16-Y274 VanDerWaalsContact CA-O 3.25Å; N16-Y274 WeakPolarHBondContact CA-O 3.29Å; W17-Y274 PolarHBondContact N-O 3.49Å; V198-Y274 HydrophobicContact CG1-CD1 4.04Å; V198-Y274 HydrophobicContact CG1-CD2 3.6Å; V198-Y274 HydrophobicContact CG1-CE1 4.23Å; V198-Y274 HydrophobicContact CG1-CE2 3.81Å; V198-Y274 HydrophobicContact CG1-CG 3.75Å; V198-Y274 HydrophobicContact CG2-CD1 4.13Å; V198-Y274 HydrophobicContact CG2-CE1 4.48Å; V198-Y274 HydrophobicContact CG2-CG 4.45Å; A270-Y274 WeakPolarHBondContact O-CD2 3.43Å; A270-Y274 WeakPolarHBondContact O-CE2 3.46Å; F271-Y274 PolarHBondContact O-N 3.23Å; A272-Y274 PolarHBondContact O-N 2.96Å; Y274-T421 HydrophobicContact CE2-CG2 4.48Å; Y274-T425 HydrophobicContact CE2-CG2 4.09Å; Y274-T425 PolarHBondContact OH-OG1 3.48Å |
| 275 | N | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -73.6 | 157.3 | 171.9 | -74.2 | -21.5 | 0 | 0 | 0 | 111.4 | F23 Q76 A272 N279 | F23-N275 VanDerWaalsContact CD2-OD1 3.29Å; F23-N275 WeakPolarHBondContact CD2-OD1 3.5Å; F23-N275 WeakPolarHBondContact CE2-ND2 3.4Å; F23-N275 WeakPolarHBondContact CG-OD1 3.45Å; F23-N275 WeakPolarHBondContact CZ-ND2 3.28Å; Q76-N275 HydrophobicContact CG-CB 4.17Å; Q76-N275 PolarHBondContact OE1-ND2 3.29Å; A272-N275 VanDerWaalsContact O-CB 3.25Å; A272-N275 WeakPolarHBondContact O-CB 3.49Å; A272-N275 PolarHBondContact O-N 3.49Å; N275-N279 HydrophobicContact CB-CB 4.14Å; N275-N279 PolarHBondContact ND2-ND2 3Å |
| 276 | Q | 92.8 | Very high | 95.5 | Very high | 125 Ų | 125 | 34.1 Ų | 34.1 | 58% | 0.584 | 15% | 0.153 | S | C | * | . | trans | -68 | 151.9 | 165.8 | -61.2 | -177.7 | 0.4 | 0 | 0 | 110.2 | Q76 H278 N279 | Q76-Q276 PolarHBondContact NE2-O 2.89Å; Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 2.87Å; Q276-N279 VanDerWaalsContact O-CB 3.26Å; Q276-N279 WeakPolarHBondContact O-CB 3.33Å; Q276-N279 PolarHBondContact O-N 2.92Å; Q276-N279 VanDerWaalsContact O-N 3.14Å | ||
| 277 | Y | 92.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 37 Ų | 37 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.6 | -173.6 | -172.3 | -97.6 | 0 | 0 | 0 | 113.7 | Q76 K77 M504 | Q76-Y277 PolarHBondContact NE2-O 3.13Å; K77-Y277 HydrophobicContact CD-CE2 4.26Å; K77-Y277 PolarHBondContact NZ-OH 2.99Å; Y277-M504 HydrophobicContact CD1-CG 4.47Å; Y277-M504 HydrophobicContact CD2-CG 4.45Å; Y277-M504 HydrophobicContact CE1-CG 3.98Å; Y277-M504 HydrophobicContact CE2-CG 3.97Å |
| 278 | H | 93.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 37.1 Ų | 37.1 | 65% | 0.653 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 23.4 | 179.2 | -65.6 | -63.2 | 0 | 0 | 0 | 113.8 | Q276 D503 M504 | Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 2.87Å; H278-D503 PolarHBondContact CE1-O 3.34Å; H278-M504 PolarHBondContact ND1-O 3.43Å |
| 279 | N | 94.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -74.3 | 138.1 | 175.8 | 174.6 | 73.3 | 0 | 0 | 0 | 110.9 | Q76 N275 Q276 F281 Q284 | Q76-N279 PolarHBondContact NE2-O 2.93Å; Q76-N279 PolarHBondContact OE1-ND2 3.4Å; Q76-N279 PolarHBondContact OE1-O 3.32Å; N275-N279 HydrophobicContact CB-CB 4.14Å; N275-N279 PolarHBondContact ND2-ND2 3Å; Q276-N279 VanDerWaalsContact O-CB 3.26Å; Q276-N279 WeakPolarHBondContact O-CB 3.33Å; Q276-N279 PolarHBondContact O-N 2.92Å; Q276-N279 VanDerWaalsContact O-N 3.14Å; N279-F281 VanDerWaalsContact C-N 3.33Å; N279-F281 PolarHBondContact O-N 2.94Å; N279-Q284 PolarHBondContact ND2-NE2 2.79Å; N279-Q284 PolarHBondContact ND2-OE1 3.12Å; N279-Q284 PolarHBondContact OD1-NE2 3.46Å | ||
| 280 | N | 95.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | trans | -80.1 | 78 | -177.3 | -170.7 | -24 | 0 | 0 | 0 | 111.6 | E282 R283 Q284 L505 | N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.27Å; N280-E282 PolarHBondContact OD1-N 3.18Å; N280-R283 WeakPolarHBondContact OD1-CB 3.25Å; N280-R283 PolarHBondContact OD1-N 3.44Å; N280-Q284 VanDerWaalsContact O-CG 3.24Å; N280-Q284 WeakPolarHBondContact O-CG 3.45Å; N280-Q284 PolarHBondContact O-N 2.79Å; N280-L505 HydrophobicContact CB-CD2 4.48Å | ||
| 281 | F | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -24.5 | 178 | 62 | -94.5 | 0 | 0 | 0 | 113.1 | Y69 L72 A73 N279 Q284 A285 I501 M504 L505 | Y69-F281 HydrophobicContact CD1-CE2 4.26Å; Y69-F281 HydrophobicContact CE1-CD2 4.45Å; Y69-F281 AromaticContact CE1-CE2 3.66Å; Y69-F281 HydrophobicContact CE1-CE2 3.66Å; Y69-F281 HydrophobicContact CE2-CD2 4.44Å; Y69-F281 HydrophobicContact CE2-CE2 4.13Å; Y69-F281 AromaticContact CZ-CE2 3.6Å; L72-F281 HydrophobicContact CB-CB 4.13Å; L72-F281 HydrophobicContact CB-CD2 4.45Å; L72-F281 HydrophobicContact CD1-CB 4.38Å; A73-F281 HydrophobicContact CB-CD2 4.05Å; A73-F281 HydrophobicContact CB-CE2 3.44Å; A73-F281 VanDerWaalsContact CB-CE2 3.44Å; A73-F281 HydrophobicContact CB-CZ 3.79Å; N279-F281 VanDerWaalsContact C-N 3.33Å; N279-F281 PolarHBondContact O-N 2.94Å; F281-Q284 PolarHBondContact O-N 3.03Å; F281-A285 VanDerWaalsContact O-CB 3.32Å; F281-A285 WeakPolarHBondContact O-CB 3.25Å; F281-A285 PolarHBondContact O-N 3.38Å; F281-I501 HydrophobicContact CZ-CG1 4.26Å; F281-I501 HydrophobicContact CZ-CG2 4.29Å; F281-M504 HydrophobicContact CE1-CB 4.05Å; F281-M504 HydrophobicContact CE1-CE 3.72Å; F281-M504 HydrophobicContact CE1-SD 4.1Å; F281-M504 HydrophobicContact CZ-CE 3.83Å; F281-L505 HydrophobicContact CD1-CD2 3.9Å; F281-L505 HydrophobicContact CD1-CG 4.42Å; F281-L505 HydrophobicContact CE1-CD1 4.07Å; F281-L505 HydrophobicContact CE1-CD2 3.7Å; F281-L505 HydrophobicContact CE1-CG 3.75Å; F281-L505 HydrophobicContact CE2-CD1 4.09Å; F281-L505 HydrophobicContact CZ-CD1 3.74Å; F281-L505 HydrophobicContact CZ-CD2 4.24Å; F281-L505 HydrophobicContact CZ-CG 3.88Å |
| 282 | E | 95.9 | Very high | 95.9 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -54.9 | 176.6 | 170.4 | 151.6 | -176.4 | 0 | 0 | 111.5 | Y69 N280 Q284 A285 I286 L505 H507 W513 | Y69-E282 HydrophobicContact CD2-CB 4.15Å; Y69-E282 HydrophobicContact CD2-CG 4.22Å; Y69-E282 HydrophobicContact CE2-CB 3.4Å; Y69-E282 HydrophobicContact CE2-CG 3.53Å; Y69-E282 PolarHBondContact OH-OE2 3.42Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.27Å; N280-E282 PolarHBondContact OD1-N 3.18Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.47Å; E282-A285 PolarHBondContact O-N 3.19Å; E282-I286 PolarHBondContact O-N 3.46Å; E282-L505 HydrophobicContact CB-CD1 3.74Å; E282-H507 IonicContact OE2-CE1 2.89Å; E282-H507 PolarHBondContact OE2-CE1 2.81Å; E282-H507 VanDerWaalsContact OE2-CE1 3.28Å; E282-W513 PolarHBondContact OE1-NE1 2.85Å |
| 283 | R | 96.1 | Very high | 95.9 | Very high | 169 Ų | 169 | 45.4 Ų | 45.4 | 64% | 0.638 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.3 | -38.2 | 178.9 | -174.9 | 179 | 177.3 | -171.8 | -0.2 | 111.1 | N280 I286 I287 | N280-R283 WeakPolarHBondContact OD1-CB 3.25Å; N280-R283 PolarHBondContact OD1-N 3.44Å; R283-I286 PolarHBondContact O-N 3.12Å; R283-I287 HydrophobicContact CG-CD1 3.75Å; R283-I287 HydrophobicContact CG-CG1 4.41Å; R283-I287 WeakPolarHBondContact O-CB 3.27Å; R283-I287 VanDerWaalsContact O-CG1 3.26Å; R283-I287 WeakPolarHBondContact O-CG1 3.36Å; R283-I287 PolarHBondContact O-N 2.86Å |
| 284 | Q | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 179.6 | -67.6 | 168.7 | -10.8 | 0 | 0 | 111.7 | F23 V24 N279 N280 F281 E282 I286 I287 V288 | F23-Q284 HydrophobicContact CE1-CB 4.18Å; V24-Q284 HydrophobicContact CG2-CB 4.16Å; V24-Q284 HydrophobicContact CG2-CG 3.65Å; N279-Q284 PolarHBondContact ND2-NE2 2.79Å; N279-Q284 PolarHBondContact ND2-OE1 3.12Å; N279-Q284 PolarHBondContact OD1-NE2 3.46Å; N280-Q284 VanDerWaalsContact O-CG 3.24Å; N280-Q284 WeakPolarHBondContact O-CG 3.45Å; N280-Q284 PolarHBondContact O-N 2.79Å; F281-Q284 PolarHBondContact O-N 3.03Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.47Å; Q284-I286 PolarHBondContact O-N 3.33Å; Q284-I287 PolarHBondContact O-N 3.26Å; Q284-V288 WeakPolarHBondContact O-CB 3.37Å; Q284-V288 VanDerWaalsContact O-CG2 3.25Å; Q284-V288 WeakPolarHBondContact O-CG2 3.39Å; Q284-V288 PolarHBondContact O-N 3.06Å |
| 285 | A | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F68 Y69 L72 F281 E282 S289 | F68-A285 HydrophobicContact CD1-CB 3.74Å; F68-A285 HydrophobicContact CE1-CB 4.34Å; Y69-A285 HydrophobicContact CD2-CB 4.38Å; L72-A285 HydrophobicContact CD1-CB 4.17Å; F281-A285 VanDerWaalsContact O-CB 3.32Å; F281-A285 WeakPolarHBondContact O-CB 3.25Å; F281-A285 PolarHBondContact O-N 3.38Å; E282-A285 PolarHBondContact O-N 3.19Å; A285-S289 VanDerWaalsContact O-CB 3.29Å; A285-S289 WeakPolarHBondContact O-CB 3.39Å; A285-S289 PolarHBondContact O-N 3.15Å; A285-S289 VanDerWaalsContact O-N 3.08Å; A285-S289 PolarHBondContact O-OG 3.47Å |
| 286 | I | 97.2 | Very high | 96 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -49.6 | 178.1 | -61.9 | 168.7 | 0 | 0 | 0 | 110.5 | V65 E282 R283 Q284 V288 S289 L290 W513 | V65-I286 HydrophobicContact CG1-CG1 4.25Å; E282-I286 PolarHBondContact O-N 3.46Å; R283-I286 PolarHBondContact O-N 3.12Å; Q284-I286 PolarHBondContact O-N 3.33Å; I286-V288 PolarHBondContact O-N 2.83Å; I286-S289 PolarHBondContact O-N 3.45Å; I286-L290 HydrophobicContact CG2-CD1 3.86Å; I286-L290 HydrophobicContact CG2-CG 4.38Å; I286-L290 WeakPolarHBondContact O-CB 3.23Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 2.94Å; I286-W513 HydrophobicContact CD1-CZ2 4.2Å; I286-W513 HydrophobicContact CG1-CH2 4.39Å; I286-W513 HydrophobicContact CG1-CZ2 4.47Å |
| 287 | I | 97.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -49.6 | -177.9 | -71.8 | 171.4 | 0 | 0 | 0 | 111.1 | R283 Q284 S289 L290 I291 | R283-I287 HydrophobicContact CG-CD1 3.75Å; R283-I287 HydrophobicContact CG-CG1 4.41Å; R283-I287 WeakPolarHBondContact O-CB 3.27Å; R283-I287 VanDerWaalsContact O-CG1 3.26Å; R283-I287 WeakPolarHBondContact O-CG1 3.36Å; R283-I287 PolarHBondContact O-N 2.86Å; Q284-I287 PolarHBondContact O-N 3.26Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 3.49Å; I287-L290 PolarHBondContact O-N 3.45Å; I287-I291 HydrophobicContact CG2-CD1 3.61Å; I287-I291 HydrophobicContact CG2-CG1 4.33Å; I287-I291 WeakPolarHBondContact O-CB 3.38Å; I287-I291 VanDerWaalsContact O-CG1 3.28Å; I287-I291 WeakPolarHBondContact O-CG1 3.31Å; I287-I291 PolarHBondContact O-N 3.2Å |
| 288 | V | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | -178.7 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | V24 C27 V28 F68 Q284 I286 L290 I291 N292 | V24-V288 HydrophobicContact CG1-CG2 4.04Å; C27-V288 HydrophobicContact CB-CG1 3.99Å; C27-V288 HydrophobicContact CB-CG2 3.9Å; V28-V288 HydrophobicContact CG2-CG1 4.37Å; V28-V288 HydrophobicContact CG2-CG2 4.26Å; F68-V288 HydrophobicContact CE1-CB 4.18Å; F68-V288 HydrophobicContact CE1-CG1 4.25Å; F68-V288 HydrophobicContact CE2-CG1 4.35Å; F68-V288 HydrophobicContact CZ-CB 4.12Å; F68-V288 HydrophobicContact CZ-CG1 3.68Å; Q284-V288 WeakPolarHBondContact O-CB 3.37Å; Q284-V288 VanDerWaalsContact O-CG2 3.25Å; Q284-V288 WeakPolarHBondContact O-CG2 3.39Å; Q284-V288 PolarHBondContact O-N 3.06Å; I286-V288 PolarHBondContact O-N 2.83Å; V288-L290 PolarHBondContact O-N 3.26Å; V288-I291 PolarHBondContact O-N 3.33Å; V288-N292 VanDerWaalsContact O-CB 3.32Å; V288-N292 WeakPolarHBondContact O-CB 3.49Å; V288-N292 PolarHBondContact O-N 3.33Å |
| 289 | S | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | A285 I286 I287 S293 | A285-S289 VanDerWaalsContact O-CB 3.29Å; A285-S289 WeakPolarHBondContact O-CB 3.39Å; A285-S289 PolarHBondContact O-N 3.15Å; A285-S289 VanDerWaalsContact O-N 3.08Å; A285-S289 PolarHBondContact O-OG 3.47Å; I286-S289 PolarHBondContact O-N 3.45Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 3.49Å; S289-S293 WeakPolarHBondContact O-CB 3.29Å; S289-S293 PolarHBondContact O-N 2.9Å; S289-S293 VanDerWaalsContact O-N 3.08Å; S289-S293 PolarHBondContact O-OG 2.83Å |
| 290 | L | 97.3 | Very high | 96.5 | Very high | 106 Ų | 106 | 34.2 Ų | 34.2 | 56% | 0.555 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -69.9 | -42.6 | 175.5 | -69.8 | 176.9 | 0 | 0 | 0 | 112 | I286 I287 V288 G294 | I286-L290 HydrophobicContact CG2-CD1 3.86Å; I286-L290 HydrophobicContact CG2-CG 4.38Å; I286-L290 WeakPolarHBondContact O-CB 3.23Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 2.94Å; I287-L290 PolarHBondContact O-N 3.45Å; V288-L290 PolarHBondContact O-N 3.26Å; L290-G294 WeakPolarHBondContact O-CA 3.2Å; L290-G294 PolarHBondContact O-N 3.41Å |
| 291 | I | 97.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 33% | 0.328 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 174.4 | -71.9 | 171.4 | 0 | 0 | 0 | 109.5 | V28 Y213 I287 V288 S293 G294 T295 | V28-I291 HydrophobicContact CG1-CG2 3.98Å; V28-I291 HydrophobicContact CG2-CB 4.44Å; V28-I291 HydrophobicContact CG2-CD1 4.17Å; V28-I291 HydrophobicContact CG2-CG2 3.99Å; Y213-I291 WeakPolarHBondContact OH-CG2 3.3Å; I287-I291 HydrophobicContact CG2-CD1 3.61Å; I287-I291 HydrophobicContact CG2-CG1 4.33Å; I287-I291 WeakPolarHBondContact O-CB 3.38Å; I287-I291 VanDerWaalsContact O-CG1 3.28Å; I287-I291 WeakPolarHBondContact O-CG1 3.31Å; I287-I291 PolarHBondContact O-N 3.2Å; V288-I291 PolarHBondContact O-N 3.33Å; I291-S293 PolarHBondContact O-N 3.39Å; I291-G294 PolarHBondContact O-N 2.9Å; I291-T295 VanDerWaalsContact O-CB 3.28Å; I291-T295 WeakPolarHBondContact O-CB 3.38Å; I291-T295 PolarHBondContact O-N 3.24Å; I291-T295 PolarHBondContact O-OG1 3.39Å |
| 292 | N | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | -178.9 | 175.2 | 56.6 | 0 | 0 | 0 | 112.4 | A31 V32 N36 S260 L261 V288 T295 S296 | A31-N292 HydrophobicContact CB-CB 4.27Å; A31-N292 PolarHBondContact O-OD1 2.9Å; V32-N292 HydrophobicContact CG2-CB 4.33Å; N36-N292 PolarHBondContact ND2-O 2.92Å; N36-N292 PolarHBondContact ND2-OD1 3.48Å; S260-N292 PolarHBondContact OG-ND2 2.94Å; S260-N292 PolarHBondContact OG-OD1 3.48Å; L261-N292 HydrophobicContact CD2-CB 3.92Å; L261-N292 VanDerWaalsContact CD2-ND2 3.32Å; L261-N292 WeakPolarHBondContact CD2-ND2 3.26Å; V288-N292 VanDerWaalsContact O-CB 3.32Å; V288-N292 WeakPolarHBondContact O-CB 3.49Å; V288-N292 PolarHBondContact O-N 3.33Å; N292-T295 WeakPolarHBondContact O-CB 3.28Å; N292-T295 PolarHBondContact O-N 3.18Å; N292-S296 PolarHBondContact O-N 3.47Å; N292-S296 PolarHBondContact O-OG 2.95Å; N292-S296 VanDerWaalsContact O-OG 3.13Å |
| 293 | S | 96.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70 | -39.7 | -177.5 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | Y56 L60 S289 I291 T295 S296 I297 | Y56-S293 WeakPolarHBondContact OH-CA 3.3Å; Y56-S293 PolarHBondContact OH-OG 2.82Å; L60-S293 VanDerWaalsContact CD1-OG 3.29Å; L60-S293 WeakPolarHBondContact CD1-OG 3.26Å; L60-S293 VanDerWaalsContact CD2-OG 3.22Å; L60-S293 WeakPolarHBondContact CD2-OG 3.45Å; S289-S293 WeakPolarHBondContact O-CB 3.29Å; S289-S293 PolarHBondContact O-N 2.9Å; S289-S293 VanDerWaalsContact O-N 3.08Å; S289-S293 PolarHBondContact O-OG 2.83Å; I291-S293 PolarHBondContact O-N 3.39Å; S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 2.82Å; S293-S296 WeakPolarHBondContact O-CB 3.43Å; S293-S296 PolarHBondContact O-N 2.85Å; S293-I297 PolarHBondContact O-N 3.11Å; S293-I297 VanDerWaalsContact O-N 3.14Å |
| 294 | G | 96.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 24.3 Ų | 24.3 | 40% | 0.402 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L290 I291 I297 F298 | L290-G294 WeakPolarHBondContact O-CA 3.2Å; L290-G294 PolarHBondContact O-N 3.41Å; I291-G294 PolarHBondContact O-N 2.9Å; G294-I297 PolarHBondContact O-N 3.07Å; G294-F298 VanDerWaalsContact O-CB 3.25Å; G294-F298 WeakPolarHBondContact O-CB 3.21Å; G294-F298 PolarHBondContact O-N 3.37Å |
| 295 | T | 96.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | V32 Y213 L216 I291 N292 S293 I297 F298 A299 | V32-T295 HydrophobicContact CG1-CG2 3.64Å; V32-T295 HydrophobicContact CG2-CG2 4.47Å; Y213-T295 HydrophobicContact CE1-CG2 3.66Å; Y213-T295 VanDerWaalsContact CE1-OG1 3.24Å; Y213-T295 WeakPolarHBondContact CE1-OG1 3.33Å; Y213-T295 PolarHBondContact OH-OG1 3.12Å; L216-T295 HydrophobicContact CD1-CG2 4.33Å; I291-T295 VanDerWaalsContact O-CB 3.28Å; I291-T295 WeakPolarHBondContact O-CB 3.38Å; I291-T295 PolarHBondContact O-N 3.24Å; I291-T295 PolarHBondContact O-OG1 3.39Å; N292-T295 WeakPolarHBondContact O-CB 3.28Å; N292-T295 PolarHBondContact O-N 3.18Å; S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 2.82Å; T295-I297 PolarHBondContact O-N 3.4Å; T295-F298 PolarHBondContact O-N 3.46Å; T295-A299 VanDerWaalsContact O-CB 3.25Å; T295-A299 WeakPolarHBondContact O-CB 3.26Å; T295-A299 PolarHBondContact O-N 3.38Å |
| 296 | S | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 174.6 | -54.3 | 0 | 0 | 0 | 0 | 112 | N36 Y56 N292 S293 S300 | N36-S296 PolarHBondContact ND2-OG 2.87Å; Y56-S296 PolarHBondContact OH-OG 2.99Å; N292-S296 PolarHBondContact O-N 3.47Å; N292-S296 PolarHBondContact O-OG 2.95Å; N292-S296 VanDerWaalsContact O-OG 3.13Å; S293-S296 WeakPolarHBondContact O-CB 3.43Å; S293-S296 PolarHBondContact O-N 2.85Å; S296-S300 WeakPolarHBondContact O-CB 3.15Å; S296-S300 PolarHBondContact O-N 2.96Å; S296-S300 PolarHBondContact O-OG 3.39Å |
| 297 | I | 96.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 21.1 Ų | 21.1 | 21% | 0.205 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 177.6 | -63.2 | 169.5 | 0 | 0 | 0 | 110.2 | F40 L53 L57 M236 S293 G294 T295 S300 I301 | F40-I297 HydrophobicContact CE1-CG1 4.48Å; F40-I297 HydrophobicContact CZ-CG1 4.27Å; L53-I297 HydrophobicContact CD2-CG1 4.36Å; L57-I297 HydrophobicContact CD2-CD1 4.44Å; M236-I297 HydrophobicContact CE-CG2 4.47Å; S293-I297 PolarHBondContact O-N 3.11Å; S293-I297 VanDerWaalsContact O-N 3.14Å; G294-I297 PolarHBondContact O-N 3.07Å; T295-I297 PolarHBondContact O-N 3.4Å; I297-S300 WeakPolarHBondContact O-CB 3.37Å; I297-S300 PolarHBondContact O-N 3.43Å; I297-I301 HydrophobicContact CG2-CD1 4.3Å; I297-I301 WeakPolarHBondContact O-CG1 3.11Å; I297-I301 PolarHBondContact O-N 2.94Å |
| 298 | F | 96.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 18.2 Ų | 18.2 | 25% | 0.254 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 178.3 | -177.3 | -107 | 0 | 0 | 0 | 112.5 | L216 L220 G294 T295 S300 I301 V302 | L216-F298 HydrophobicContact CB-CD1 4.19Å; L216-F298 HydrophobicContact CB-CE1 3.66Å; L216-F298 HydrophobicContact CD1-CD1 4.35Å; L220-F298 HydrophobicContact CB-CZ 4.37Å; L220-F298 HydrophobicContact CD2-CD2 4.5Å; L220-F298 HydrophobicContact CD2-CE2 3.49Å; L220-F298 VanDerWaalsContact CD2-CE2 3.49Å; L220-F298 HydrophobicContact CD2-CZ 3.83Å; G294-F298 VanDerWaalsContact O-CB 3.25Å; G294-F298 WeakPolarHBondContact O-CB 3.21Å; G294-F298 PolarHBondContact O-N 3.37Å; T295-F298 PolarHBondContact O-N 3.46Å; F298-S300 PolarHBondContact O-N 3.42Å; F298-I301 PolarHBondContact O-N 2.94Å; F298-V302 WeakPolarHBondContact O-CG2 3.3Å; F298-V302 PolarHBondContact O-N 3.35Å; F298-V302 VanDerWaalsContact O-N 3.16Å |
| 299 | A | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -30.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V37 L216 T295 V302 T303 | V37-A299 HydrophobicContact CG2-CB 4.26Å; L216-A299 HydrophobicContact CD1-CB 4.37Å; L216-A299 HydrophobicContact CD2-CB 4.26Å; T295-A299 VanDerWaalsContact O-CB 3.25Å; T295-A299 WeakPolarHBondContact O-CB 3.26Å; T295-A299 PolarHBondContact O-N 3.38Å; A299-V302 PolarHBondContact O-N 2.87Å; A299-T303 WeakPolarHBondContact O-CB 3.38Å; A299-T303 PolarHBondContact O-N 2.89Å; A299-T303 PolarHBondContact O-OG1 3.24Å |
| 300 | S | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | F40 M236 S296 I297 F298 V302 T303 F304 | F40-S300 WeakPolarHBondContact CD1-OG 3.48Å; F40-S300 VanDerWaalsContact CE1-OG 3.29Å; F40-S300 WeakPolarHBondContact CE1-OG 3.39Å; M236-S300 VanDerWaalsContact CE-CB 3.47Å; S296-S300 WeakPolarHBondContact O-CB 3.15Å; S296-S300 PolarHBondContact O-N 2.96Å; S296-S300 PolarHBondContact O-OG 3.39Å; I297-S300 WeakPolarHBondContact O-CB 3.37Å; I297-S300 PolarHBondContact O-N 3.43Å; F298-S300 PolarHBondContact O-N 3.42Å; S300-V302 PolarHBondContact O-N 2.83Å; S300-T303 CarbonylContact O-C 3.2Å; S300-T303 PolarHBondContact O-N 3.4Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 VanDerWaalsContact O-CD2 3.3Å; S300-F304 WeakPolarHBondContact O-CD2 3.39Å; S300-F304 PolarHBondContact O-N 2.77Å |
| 301 | I | 96 | Very high | 94.8 | Very high | 42 Ų | 42 | 14.8 Ų | 14.8 | 22% | 0.215 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 176.8 | -65.3 | 164.9 | 0 | 0 | 0 | 110.1 | L220 M236 F237 I297 F298 A305 | L220-I301 HydrophobicContact CD1-CG2 3.91Å; M236-I301 HydrophobicContact CE-CG1 4.24Å; M236-I301 HydrophobicContact SD-CG1 4.07Å; F237-I301 HydrophobicContact CE2-CD1 4.45Å; F237-I301 HydrophobicContact CE2-CG1 4.11Å; F237-I301 HydrophobicContact CZ-CD1 4.11Å; F237-I301 HydrophobicContact CZ-CG1 4.04Å; I297-I301 HydrophobicContact CG2-CD1 4.3Å; I297-I301 WeakPolarHBondContact O-CG1 3.11Å; I297-I301 PolarHBondContact O-N 2.94Å; F298-I301 PolarHBondContact O-N 2.94Å; I301-A305 WeakPolarHBondContact O-CB 3.24Å; I301-A305 PolarHBondContact O-N 3.06Å |
| 302 | V | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | L220 F298 A299 S300 A305 I306 | L220-V302 HydrophobicContact CB-CG2 3.77Å; L220-V302 HydrophobicContact CD1-CG2 3.97Å; L220-V302 HydrophobicContact CG-CG2 4.44Å; F298-V302 WeakPolarHBondContact O-CG2 3.3Å; F298-V302 PolarHBondContact O-N 3.35Å; F298-V302 VanDerWaalsContact O-N 3.16Å; A299-V302 PolarHBondContact O-N 2.87Å; S300-V302 PolarHBondContact O-N 2.83Å; V302-A305 PolarHBondContact O-N 3.39Å; V302-I306 HydrophobicContact CG1-CD1 4.08Å; V302-I306 WeakPolarHBondContact O-CG1 3.42Å; V302-I306 PolarHBondContact O-N 2.75Å |
| 303 | T | 93.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | -179.2 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | V37 P41 A299 S300 A305 I306 Y307 L382 Y387 | V37-T303 PolarHBondContact O-OG1 3.4Å; P41-T303 HydrophobicContact CB-CG2 3.89Å; P41-T303 HydrophobicContact CG-CG2 4.23Å; A299-T303 WeakPolarHBondContact O-CB 3.38Å; A299-T303 PolarHBondContact O-N 2.89Å; A299-T303 PolarHBondContact O-OG1 3.24Å; S300-T303 CarbonylContact O-C 3.2Å; S300-T303 PolarHBondContact O-N 3.4Å; T303-A305 VanDerWaalsContact C-N 3.32Å; T303-A305 PolarHBondContact O-N 2.97Å; T303-I306 PolarHBondContact O-N 2.98Å; T303-Y307 VanDerWaalsContact O-CB 3.28Å; T303-Y307 WeakPolarHBondContact O-CB 3.44Å; T303-Y307 PolarHBondContact O-N 3.1Å; T303-L382 HydrophobicContact CG2-CD2 4.37Å; T303-Y387 VanDerWaalsContact CA-OH 3.3Å; T303-Y387 WeakPolarHBondContact CA-OH 3.35Å; T303-Y387 WeakPolarHBondContact CB-OH 3.27Å; T303-Y387 HydrophobicContact CG2-CE2 3.85Å; T303-Y387 PolarHBondContact OG1-OH 2.99Å |
| 304 | F | 93.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.9 | -29.3 | -179.8 | -84.6 | -83.9 | 0 | 0 | 0 | 112.7 | P41 C44 Q45 G232 Y235 M236 S300 Y307 G308 | P41-F304 HydrophobicContact CB-CD2 4.49Å; P41-F304 HydrophobicContact CB-CE2 4.09Å; C44-F304 HydrophobicContact CB-CE2 4.36Å; Q45-F304 HydrophobicContact CB-CE1 4.28Å; Q45-F304 HydrophobicContact CB-CZ 3.84Å; Q45-F304 HydrophobicContact CG-CE1 4.27Å; Q45-F304 HydrophobicContact CG-CZ 4.34Å; G232-F304 WeakPolarHBondContact CA-O 3.38Å; G232-F304 WeakPolarHBondContact O-CD1 3.19Å; Y235-F304 HydrophobicContact CD1-CD1 4.48Å; Y235-F304 AromaticContact CD1-CE1 3.91Å; Y235-F304 HydrophobicContact CD1-CE1 3.91Å; Y235-F304 HydrophobicContact CE1-CE1 4.42Å; M236-F304 HydrophobicContact CB-CB 4.08Å; M236-F304 HydrophobicContact CB-CD1 3.81Å; M236-F304 HydrophobicContact CB-CD2 3.78Å; M236-F304 HydrophobicContact CB-CE1 4.12Å; M236-F304 HydrophobicContact CB-CE2 4.1Å; M236-F304 HydrophobicContact CB-CG 3.63Å; M236-F304 HydrophobicContact CB-CZ 4.25Å; M236-F304 HydrophobicContact CG-CD2 3.63Å; M236-F304 HydrophobicContact CG-CE2 3.76Å; M236-F304 HydrophobicContact CG-CG 4.03Å; M236-F304 HydrophobicContact CG-CZ 4.26Å; M236-F304 HydrophobicContact SD-CB 4.35Å; M236-F304 HydrophobicContact SD-CD2 3.61Å; M236-F304 HydrophobicContact SD-CE2 4.19Å; M236-F304 HydrophobicContact SD-CG 4.18Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 VanDerWaalsContact O-CD2 3.3Å; S300-F304 WeakPolarHBondContact O-CD2 3.39Å; S300-F304 PolarHBondContact O-N 2.77Å; F304-Y307 PolarHBondContact O-N 3.39Å; F304-G308 PolarHBondContact O-N 3.3Å |
| 305 | A | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M224 A229 V233 I301 V302 T303 Y307 G308 F309 | M224-A305 HydrophobicContact SD-CB 4.07Å; A229-A305 WeakPolarHBondContact CA-O 3.43Å; A229-A305 HydrophobicContact CB-CB 4.21Å; A229-A305 WeakPolarHBondContact CB-O 3.22Å; V233-A305 HydrophobicContact CG2-CB 3.95Å; I301-A305 WeakPolarHBondContact O-CB 3.24Å; I301-A305 PolarHBondContact O-N 3.06Å; V302-A305 PolarHBondContact O-N 3.39Å; T303-A305 VanDerWaalsContact C-N 3.32Å; T303-A305 PolarHBondContact O-N 2.97Å; A305-Y307 VanDerWaalsContact C-N 3.33Å; A305-G308 PolarHBondContact O-N 3.46Å; A305-F309 PolarHBondContact O-N 2.99Å |
| 306 | I | 92.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.6 | -64.5 | 166.2 | 0 | 0 | 0 | 110.9 | Y219 V302 T303 F309 K310 Y387 A390 M394 | Y219-I306 HydrophobicContact CD1-CD1 3.68Å; Y219-I306 HydrophobicContact CE1-CD1 4.13Å; V302-I306 HydrophobicContact CG1-CD1 4.08Å; V302-I306 WeakPolarHBondContact O-CG1 3.42Å; V302-I306 PolarHBondContact O-N 2.75Å; T303-I306 PolarHBondContact O-N 2.98Å; I306-F309 WeakPolarHBondContact O-CB 3.08Å; I306-F309 PolarHBondContact O-N 3.12Å; I306-K310 PolarHBondContact O-N 3.28Å; I306-Y387 HydrophobicContact CD1-CD1 4.14Å; I306-Y387 HydrophobicContact CD1-CE1 3.42Å; I306-Y387 VanDerWaalsContact CD1-CE1 3.42Å; I306-A390 HydrophobicContact CG2-CB 3.32Å; I306-M394 HydrophobicContact CG1-CE 4.46Å; I306-M394 HydrophobicContact CG2-CE 4.12Å |
| 307 | Y | 89.9 | Confident | 93.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.5 | -162.9 | -105.7 | 0 | 0 | 0 | 111.9 | T303 F304 A305 F309 K310 A311 E372 L373 T375 V386 | T303-Y307 VanDerWaalsContact O-CB 3.28Å; T303-Y307 WeakPolarHBondContact O-CB 3.44Å; T303-Y307 PolarHBondContact O-N 3.1Å; F304-Y307 PolarHBondContact O-N 3.39Å; A305-Y307 VanDerWaalsContact C-N 3.33Å; Y307-F309 VanDerWaalsContact C-N 3.31Å; Y307-F309 PolarHBondContact O-N 2.84Å; Y307-K310 PolarHBondContact O-N 3.13Å; Y307-A311 WeakPolarHBondContact O-CB 3.45Å; Y307-A311 PolarHBondContact O-N 3.48Å; Y307-E372 PolarHBondContact OH-O 2.93Å; Y307-L373 HydrophobicContact CD1-CD2 4.24Å; Y307-L373 HydrophobicContact CE1-CD2 4.45Å; Y307-L373 WeakPolarHBondContact CE1-O 3.21Å; Y307-T375 PolarHBondContact OH-O 2.89Å; Y307-T375 PolarHBondContact OH-OG1 2.94Å; Y307-V386 HydrophobicContact CD2-CG1 3.67Å; Y307-V386 HydrophobicContact CE2-CG1 3.79Å |
| 308 | G | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G228 F304 A305 T312 | G228-G308 CarbonylContact O-C 3.59Å; G228-G308 VanDerWaalsContact O-C 3.31Å; F304-G308 PolarHBondContact O-N 3.3Å; A305-G308 PolarHBondContact O-N 3.46Å; G308-T312 VanDerWaalsContact O-CB 3.32Å; G308-T312 WeakPolarHBondContact O-CB 3.24Å; G308-T312 PolarHBondContact O-N 3.46Å; G308-T312 PolarHBondContact O-OG1 3.16Å |
| 309 | F | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 6% | 0.057 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 171.9 | 166.9 | -107 | 0 | 0 | 0 | 112.3 | L226 H227 A305 I306 Y307 A311 T312 I313 N393 M394 | L226-F309 HydrophobicContact CB-CB 3.92Å; L226-F309 HydrophobicContact CB-CD2 3.68Å; L226-F309 HydrophobicContact CB-CE2 4.29Å; L226-F309 HydrophobicContact CB-CG 3.85Å; L226-F309 HydrophobicContact CD1-CB 4.16Å; L226-F309 HydrophobicContact CD1-CD1 3.88Å; L226-F309 HydrophobicContact CD1-CD2 4.34Å; L226-F309 HydrophobicContact CD1-CE1 4.3Å; L226-F309 HydrophobicContact CD1-CG 3.88Å; L226-F309 HydrophobicContact CD2-CD2 4.29Å; L226-F309 HydrophobicContact CD2-CE2 4.07Å; L226-F309 HydrophobicContact CD2-CZ 4.22Å; L226-F309 HydrophobicContact CG-CD2 4.32Å; L226-F309 HydrophobicContact CG-CG 4.32Å; H227-F309 WeakPolarHBondContact O-CA 3.33Å; H227-F309 WeakPolarHBondContact O-CD2 3.27Å; A305-F309 PolarHBondContact O-N 2.99Å; I306-F309 WeakPolarHBondContact O-CB 3.08Å; I306-F309 PolarHBondContact O-N 3.12Å; Y307-F309 VanDerWaalsContact C-N 3.31Å; Y307-F309 PolarHBondContact O-N 2.84Å; F309-A311 PolarHBondContact O-N 3.06Å; F309-T312 PolarHBondContact O-N 2.95Å; F309-I313 HydrophobicContact CD1-CD1 4.37Å; F309-I313 HydrophobicContact CD2-CD1 3.92Å; F309-I313 HydrophobicContact CD2-CG1 4.33Å; F309-I313 HydrophobicContact CE1-CD1 3.76Å; F309-I313 HydrophobicContact CE2-CD1 3.26Å; F309-I313 HydrophobicContact CE2-CG1 4.06Å; F309-I313 HydrophobicContact CG-CD1 4.47Å; F309-I313 HydrophobicContact CZ-CD1 3.17Å; F309-I313 HydrophobicContact CZ-CG1 4.36Å; F309-I313 PolarHBondContact O-N 3.43Å; F309-N393 HydrophobicContact CE1-CB 4.08Å; F309-N393 HydrophobicContact CZ-CB 4.14Å; F309-M394 HydrophobicContact CD1-CE 4.48Å; F309-M394 HydrophobicContact CE1-CE 4.45Å; F309-M394 HydrophobicContact CE1-CG 4.22Å |
| 310 | K | 91.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 21 Ų | 21 | 9% | 0.091 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 176.5 | 175.2 | -172.5 | 166.8 | -72.2 | 0 | 111.5 | I306 Y307 T312 I313 N314 V386 E389 A390 | I306-K310 PolarHBondContact O-N 3.28Å; Y307-K310 PolarHBondContact O-N 3.13Å; K310-T312 VanDerWaalsContact C-N 3.3Å; K310-T312 PolarHBondContact O-N 2.93Å; K310-I313 PolarHBondContact O-N 3.28Å; K310-N314 PolarHBondContact NZ-ND2 3.07Å; K310-N314 WeakPolarHBondContact O-CB 3.45Å; K310-N314 PolarHBondContact O-N 3.25Å; K310-V386 HydrophobicContact CD-CG1 3.79Å; K310-E389 HydrophobicContact CD-CG 4.42Å; K310-A390 HydrophobicContact CB-CB 4.39Å |
| 311 | A | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y307 F309 N314 Y315 L369 E372 L373 | Y307-A311 WeakPolarHBondContact O-CB 3.45Å; Y307-A311 PolarHBondContact O-N 3.48Å; F309-A311 PolarHBondContact O-N 3.06Å; A311-N314 PolarHBondContact O-N 2.84Å; A311-Y315 VanDerWaalsContact O-CB 3.22Å; A311-Y315 WeakPolarHBondContact O-CB 3.33Å; A311-Y315 PolarHBondContact O-N 3.11Å; A311-L369 HydrophobicContact CB-CD1 4.15Å; A311-E372 HydrophobicContact CB-CB 3.87Å; A311-L373 HydrophobicContact CB-CD2 3.71Å; A311-L373 HydrophobicContact CB-CG 3.98Å |
| 312 | T | 93.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 5% | 0.049 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | G228 N231 G308 F309 K310 Y315 E316 | G228-T312 WeakPolarHBondContact CA-OG1 3.36Å; N231-T312 PolarHBondContact ND2-OG1 2.71Å; G308-T312 VanDerWaalsContact O-CB 3.32Å; G308-T312 WeakPolarHBondContact O-CB 3.24Å; G308-T312 PolarHBondContact O-N 3.46Å; G308-T312 PolarHBondContact O-OG1 3.16Å; F309-T312 PolarHBondContact O-N 2.95Å; K310-T312 VanDerWaalsContact C-N 3.3Å; K310-T312 PolarHBondContact O-N 2.93Å; T312-Y315 PolarHBondContact O-N 2.84Å; T312-E316 WeakPolarHBondContact O-CB 3.44Å; T312-E316 WeakPolarHBondContact O-CG 3.25Å; T312-E316 PolarHBondContact O-N 3.48Å |
| 313 | I | 92 | Very high | 92.3 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.9 | -75.1 | -176.8 | 0 | 0 | 0 | 111.7 | F309 K310 Y315 E316 N317 N393 | F309-I313 HydrophobicContact CD1-CD1 4.37Å; F309-I313 HydrophobicContact CD2-CD1 3.92Å; F309-I313 HydrophobicContact CD2-CG1 4.33Å; F309-I313 HydrophobicContact CE1-CD1 3.76Å; F309-I313 HydrophobicContact CE2-CD1 3.26Å; F309-I313 HydrophobicContact CE2-CG1 4.06Å; F309-I313 HydrophobicContact CG-CD1 4.47Å; F309-I313 HydrophobicContact CZ-CD1 3.17Å; F309-I313 HydrophobicContact CZ-CG1 4.36Å; F309-I313 PolarHBondContact O-N 3.43Å; K310-I313 PolarHBondContact O-N 3.28Å; I313-Y315 VanDerWaalsContact C-N 3.32Å; I313-Y315 PolarHBondContact O-N 2.82Å; I313-E316 PolarHBondContact O-N 3.37Å; I313-N317 WeakPolarHBondContact CG2-ND2 3.49Å; I313-N317 WeakPolarHBondContact O-CB 3.44Å; I313-N317 PolarHBondContact O-N 3.39Å; I313-N317 PolarHBondContact O-ND2 2.97Å; I313-N393 HydrophobicContact CD1-CB 4.09Å |
| 314 | N | 90.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 179.1 | -79.4 | 2.8 | 0 | 0 | 0 | 111.4 | K310 A311 N317 C318 E372 | K310-N314 PolarHBondContact NZ-ND2 3.07Å; K310-N314 WeakPolarHBondContact O-CB 3.45Å; K310-N314 PolarHBondContact O-N 3.25Å; A311-N314 PolarHBondContact O-N 2.84Å; N314-N317 PolarHBondContact O-N 2.69Å; N314-C318 WeakPolarHBondContact O-CB 3.29Å; N314-C318 PolarHBondContact O-N 3.39Å; N314-E372 HydrophobicContact CB-CG 4.27Å; N314-E372 VanDerWaalsContact CB-OE2 3.29Å; N314-E372 WeakPolarHBondContact CB-OE2 3.33Å; N314-E372 PolarHBondContact ND2-OE2 3.06Å |
| 315 | Y | 92.6 | Very high | 91.9 | Very high | 57 Ų | 57 | 35 Ų | 35 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.1 | 171.1 | -106.9 | 0 | 0 | 0 | 112 | A311 T312 I313 N317 C318 L319 C367 L369 | A311-Y315 VanDerWaalsContact O-CB 3.22Å; A311-Y315 WeakPolarHBondContact O-CB 3.33Å; A311-Y315 PolarHBondContact O-N 3.11Å; T312-Y315 PolarHBondContact O-N 2.84Å; I313-Y315 VanDerWaalsContact C-N 3.32Å; I313-Y315 PolarHBondContact O-N 2.82Å; Y315-N317 VanDerWaalsContact C-N 3.34Å; Y315-N317 PolarHBondContact O-N 3.45Å; Y315-C318 WeakPolarHBondContact O-CB 3.49Å; Y315-C318 PolarHBondContact O-N 3.26Å; Y315-L319 HydrophobicContact CD1-CD1 4.2Å; Y315-L319 HydrophobicContact CE1-CD1 3.57Å; Y315-L319 HydrophobicContact CE1-CG 4.47Å; Y315-L319 HydrophobicContact CE2-CD1 4.04Å; Y315-L319 HydrophobicContact CE2-CD2 4.45Å; Y315-L319 HydrophobicContact CE2-CG 4.21Å; Y315-L319 VanDerWaalsContact CZ-CD1 3.49Å; Y315-L319 WeakPolarHBondContact O-CG 3.47Å; Y315-L319 PolarHBondContact O-N 2.79Å; Y315-C367 HydrophobicContact CD2-CB 4.35Å; Y315-C367 HydrophobicContact CE2-CB 4.34Å; Y315-C367 WeakPolarHBondContact CE2-O 3.24Å; Y315-L369 HydrophobicContact CD1-CB 4.41Å; Y315-L369 HydrophobicContact CD2-CB 4.11Å; Y315-L369 HydrophobicContact CE2-CB 4.39Å; Y315-L369 HydrophobicContact CG-CB 4.1Å; Y315-L369 HydrophobicContact CG-CD1 4.37Å |
| 316 | E | 92.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 35 Ų | 35 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63 | -39 | 177.6 | -73.2 | 174.2 | 174.8 | 0 | 0 | 112 | H227 T312 I313 L319 D320 | H227-E316 IonicContact CD2-OE1 2.82Å; H227-E316 IonicContact CD2-OE2 2.8Å; H227-E316 IonicContact CE1-OE1 3.56Å; H227-E316 IonicContact NE2-OE1 3.92Å; H227-E316 PolarHBondContact NE2-OE1 3.02Å; H227-E316 IonicContact NE2-OE2 3.83Å; T312-E316 WeakPolarHBondContact O-CB 3.44Å; T312-E316 WeakPolarHBondContact O-CG 3.25Å; T312-E316 PolarHBondContact O-N 3.48Å; I313-E316 PolarHBondContact O-N 3.37Å; E316-L319 PolarHBondContact O-N 3.21Å; E316-D320 PolarHBondContact O-N 3.47Å |
| 317 | N | 91.1 | Very high | 91.5 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 43% | 0.433 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.9 | -73.2 | -26 | 0 | 0 | 0 | 112.5 | I313 N314 Y315 D320 R321 | I313-N317 WeakPolarHBondContact CG2-ND2 3.49Å; I313-N317 WeakPolarHBondContact O-CB 3.44Å; I313-N317 PolarHBondContact O-N 3.39Å; I313-N317 PolarHBondContact O-ND2 2.97Å; N314-N317 PolarHBondContact O-N 2.69Å; Y315-N317 VanDerWaalsContact C-N 3.34Å; Y315-N317 PolarHBondContact O-N 3.45Å; N317-D320 PolarHBondContact O-N 3.25Å; N317-R321 WeakPolarHBondContact O-CG 3.41Å; N317-R321 PolarHBondContact O-N 3.21Å |
| 318 | C | 91.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.122 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | N314 Y315 D320 R321 T322 C367 | N314-C318 WeakPolarHBondContact O-CB 3.29Å; N314-C318 PolarHBondContact O-N 3.39Å; Y315-C318 WeakPolarHBondContact O-CB 3.49Å; Y315-C318 PolarHBondContact O-N 3.26Å; C318-D320 PolarHBondContact O-N 3Å; C318-R321 PolarHBondContact O-N 3.27Å; C318-T322 WeakPolarHBondContact O-CB 3.28Å; C318-T322 PolarHBondContact O-N 3.27Å; C318-T322 PolarHBondContact O-OG1 3.46Å; C318-C367 HydrophobicContact CB-CB 3.86Å; C318-C367 WeakPolarHBondContact CB-SG 3.09Å; C318-C367 PolarHBondContact O-SG 2.97Å; C318-C367 WeakPolarHBondContact SG-CA 3.36Å; C318-C367 WeakPolarHBondContact SG-CB 3.21Å; C318-C367 CovalentContact SG-SG 2.04Å; C318-C367 PolarHBondContact SG-SG 2.94Å |
| 319 | L | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 176 | -70.2 | -178.2 | 0 | 0 | 0 | 112.4 | Y315 E316 T322 R323 I339 V342 F343 C367 | Y315-L319 HydrophobicContact CD1-CD1 4.2Å; Y315-L319 HydrophobicContact CE1-CD1 3.57Å; Y315-L319 HydrophobicContact CE1-CG 4.47Å; Y315-L319 HydrophobicContact CE2-CD1 4.04Å; Y315-L319 HydrophobicContact CE2-CD2 4.45Å; Y315-L319 HydrophobicContact CE2-CG 4.21Å; Y315-L319 VanDerWaalsContact CZ-CD1 3.49Å; Y315-L319 WeakPolarHBondContact O-CG 3.47Å; Y315-L319 PolarHBondContact O-N 2.79Å; E316-L319 PolarHBondContact O-N 3.21Å; L319-T322 PolarHBondContact O-N 3.24Å; L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.41Å; L319-R323 PolarHBondContact O-N 3.1Å; L319-I339 HydrophobicContact CB-CG2 4.19Å; L319-I339 HydrophobicContact CD1-CG2 3.59Å; L319-V342 HydrophobicContact CD2-CB 4.43Å; L319-V342 HydrophobicContact CD2-CG1 4.31Å; L319-F343 HydrophobicContact CD2-CE2 3.72Å; L319-F343 HydrophobicContact CD2-CZ 3.68Å; L319-C367 HydrophobicContact CD2-CB 3.79Å; L319-C367 HydrophobicContact CG-CB 4.29Å |
| 320 | D | 91.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68 | -39.8 | 178.7 | -169.8 | 57.1 | 0 | 0 | 0 | 112.4 | E316 N317 C318 T322 R323 I324 | E316-D320 PolarHBondContact O-N 3.47Å; N317-D320 PolarHBondContact O-N 3.25Å; C318-D320 PolarHBondContact O-N 3Å; D320-T322 VanDerWaalsContact C-N 3.34Å; D320-T322 PolarHBondContact O-N 2.95Å; D320-R323 WeakPolarHBondContact O-CB 3.45Å; D320-R323 PolarHBondContact O-N 2.6Å; D320-R323 IonicContact OD1-CZ 3.4Å; D320-R323 IonicContact OD1-NE 3.06Å; D320-R323 PolarHBondContact OD1-NE 2.67Å; D320-R323 IonicContact OD1-NH2 2.77Å; D320-R323 PolarHBondContact OD1-NH2 3.42Å; D320-I324 VanDerWaalsContact O-CG1 3.31Å; D320-I324 WeakPolarHBondContact O-CG1 3.35Å; D320-I324 PolarHBondContact O-N 2.97Å |
| 321 | R | 90.8 | Very high | 91.1 | Very high | 158 Ų | 158 | 49.8 Ų | 49.8 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.1 | -45.6 | 171.9 | -72.3 | 173.3 | -174.5 | -179.1 | 0.6 | 111.6 | N317 C318 R323 I324 L325 | N317-R321 WeakPolarHBondContact O-CG 3.41Å; N317-R321 PolarHBondContact O-N 3.21Å; C318-R321 PolarHBondContact O-N 3.27Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R321-I324 PolarHBondContact O-N 3.34Å; R321-L325 VanDerWaalsContact O-CB 3.27Å; R321-L325 WeakPolarHBondContact O-CB 3.25Å; R321-L325 PolarHBondContact O-N 2.88Å |
| 322 | T | 90.4 | Very high | 91 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.7 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | C318 L319 D320 L325 L326 V342 I346 L364 | C318-T322 WeakPolarHBondContact O-CB 3.28Å; C318-T322 PolarHBondContact O-N 3.27Å; C318-T322 PolarHBondContact O-OG1 3.46Å; L319-T322 PolarHBondContact O-N 3.24Å; D320-T322 VanDerWaalsContact C-N 3.34Å; D320-T322 PolarHBondContact O-N 2.95Å; T322-L325 PolarHBondContact O-N 3.42Å; T322-L326 HydrophobicContact CG2-CD1 4.06Å; T322-L326 VanDerWaalsContact O-CG 3.28Å; T322-L326 WeakPolarHBondContact O-CG 3.32Å; T322-L326 PolarHBondContact O-N 2.84Å; T322-V342 HydrophobicContact CG2-CG1 3.81Å; T322-I346 HydrophobicContact CG2-CD1 3.99Å; T322-L364 HydrophobicContact CG2-CD2 3.5Å |
| 323 | R | 91.5 | Very high | 90.7 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -53 | 175.4 | 179.4 | -178.2 | 85.1 | 111.4 | -2.1 | 111.6 | L319 D320 R321 L325 L326 L327 I337 V342 | L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.41Å; L319-R323 PolarHBondContact O-N 3.1Å; D320-R323 WeakPolarHBondContact O-CB 3.45Å; D320-R323 PolarHBondContact O-N 2.6Å; D320-R323 IonicContact OD1-CZ 3.4Å; D320-R323 IonicContact OD1-NE 3.06Å; D320-R323 PolarHBondContact OD1-NE 2.67Å; D320-R323 IonicContact OD1-NH2 2.77Å; D320-R323 PolarHBondContact OD1-NH2 3.42Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 2.98Å; R323-L326 PolarHBondContact O-N 3.22Å; R323-L327 HydrophobicContact CG-CD1 4.11Å; R323-L327 HydrophobicContact CG-CG 4.5Å; R323-L327 VanDerWaalsContact O-CG 3.29Å; R323-L327 WeakPolarHBondContact O-CG 3.37Å; R323-L327 PolarHBondContact O-N 2.7Å; R323-I337 HydrophobicContact CB-CG2 4.39Å; R323-I337 VanDerWaalsContact CD-O 3.31Å; R323-I337 WeakPolarHBondContact CD-O 3.12Å; R323-I337 HydrophobicContact CG-CB 3.95Å; R323-I337 HydrophobicContact CG-CG2 3.76Å; R323-I337 PolarHBondContact NH1-O 2.97Å; R323-V342 HydrophobicContact CB-CG2 4.22Å |
| 324 | I | 90.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 62 Ų | 62 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 178.9 | -68.7 | 167.2 | 0 | 0 | 0 | 110.7 | D320 R321 L326 L327 N328 | D320-I324 VanDerWaalsContact O-CG1 3.31Å; D320-I324 WeakPolarHBondContact O-CG1 3.35Å; D320-I324 PolarHBondContact O-N 2.97Å; R321-I324 PolarHBondContact O-N 3.34Å; I324-L326 PolarHBondContact O-N 2.87Å; I324-L327 PolarHBondContact O-N 3.22Å; I324-N328 WeakPolarHBondContact CG2-ND2 3.37Å; I324-N328 WeakPolarHBondContact O-CB 3.32Å; I324-N328 VanDerWaalsContact O-CG 3.3Å; I324-N328 PolarHBondContact O-N 2.9Å; I324-N328 PolarHBondContact O-ND2 2.98Å |
| 325 | L | 89.6 | Confident | 90.1 | Very high | 49 Ų | 49 | 67.2 Ų | 67.2 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.4 | -177.6 | 65.5 | 0 | 0 | 0 | 111.6 | R321 T322 R323 S329 L360 K363 L364 | R321-L325 VanDerWaalsContact O-CB 3.27Å; R321-L325 WeakPolarHBondContact O-CB 3.25Å; R321-L325 PolarHBondContact O-N 2.88Å; T322-L325 PolarHBondContact O-N 3.42Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 2.98Å; L325-S329 VanDerWaalsContact O-CB 3.25Å; L325-S329 WeakPolarHBondContact O-CB 3.06Å; L325-S329 PolarHBondContact O-N 2.84Å; L325-S329 PolarHBondContact O-OG 3.37Å; L325-L360 HydrophobicContact CD1-CD1 3.91Å; L325-L360 HydrophobicContact CD2-CD1 3.79Å; L325-L360 HydrophobicContact CD2-CG 4.28Å; L325-L360 HydrophobicContact CG-CD1 3.75Å; L325-L360 HydrophobicContact CG-CD2 4.47Å; L325-L360 HydrophobicContact CG-CG 4.45Å; L325-K363 HydrophobicContact CD2-CB 4.15Å; L325-L364 HydrophobicContact CD2-CD2 4.38Å |
| 326 | L | 89.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -46 | 176.3 | -68.1 | 168.5 | 0 | 0 | 0 | 111.9 | T322 R323 I324 N328 S329 F330 I337 V342 I346 L349 F357 L360 | T322-L326 HydrophobicContact CG2-CD1 4.06Å; T322-L326 VanDerWaalsContact O-CG 3.28Å; T322-L326 WeakPolarHBondContact O-CG 3.32Å; T322-L326 PolarHBondContact O-N 2.84Å; R323-L326 PolarHBondContact O-N 3.22Å; I324-L326 PolarHBondContact O-N 2.87Å; L326-N328 VanDerWaalsContact C-N 3.31Å; L326-N328 PolarHBondContact O-N 2.88Å; L326-S329 PolarHBondContact O-N 3.43Å; L326-F330 HydrophobicContact CD2-CD2 4.31Å; L326-F330 HydrophobicContact CD2-CE2 3.97Å; L326-F330 WeakPolarHBondContact O-CD2 3.32Å; L326-F330 PolarHBondContact O-N 2.9Å; L326-I337 HydrophobicContact CB-CD1 3.74Å; L326-I337 HydrophobicContact CD1-CD1 4.35Å; L326-V342 HydrophobicContact CD1-CG1 4.43Å; L326-I346 HydrophobicContact CD1-CD1 4.4Å; L326-I346 HydrophobicContact CD1-CG1 3.7Å; L326-L349 HydrophobicContact CB-CD1 4.41Å; L326-L349 HydrophobicContact CD2-CD1 3.97Å; L326-F357 HydrophobicContact CD2-CE2 4.43Å; L326-L360 HydrophobicContact CD2-CD2 3.7Å |
| 327 | L | 90.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 178.1 | -71.7 | 174 | 0 | 0 | 0 | 111.4 | R323 I324 N331 L332 A333 S336 I337 | R323-L327 HydrophobicContact CG-CD1 4.11Å; R323-L327 HydrophobicContact CG-CG 4.5Å; R323-L327 VanDerWaalsContact O-CG 3.29Å; R323-L327 WeakPolarHBondContact O-CG 3.37Å; R323-L327 PolarHBondContact O-N 2.7Å; I324-L327 PolarHBondContact O-N 3.22Å; L327-N331 CarbonylContact O-C 3.6Å; L327-N331 VanDerWaalsContact O-CA 3.26Å; L327-N331 WeakPolarHBondContact O-CA 3.38Å; L327-N331 PolarHBondContact O-N 3.27Å; L327-L332 HydrophobicContact CD2-CB 3.77Å; L327-L332 PolarHBondContact O-N 2.69Å; L327-A333 VanDerWaalsContact CD2-O 3.25Å; L327-A333 WeakPolarHBondContact CD2-O 3.49Å; L327-S336 WeakPolarHBondContact CD2-OG 2.99Å; L327-I337 HydrophobicContact CD2-CB 4.11Å; L327-I337 HydrophobicContact CD2-CD1 3.99Å; L327-I337 HydrophobicContact CD2-CG1 3.85Å; L327-I337 HydrophobicContact CG-CB 4.49Å; L327-I337 HydrophobicContact CG-CD1 4.29Å; L327-I337 HydrophobicContact CG-CG1 4.5Å |
| 328 | N | 90.6 | Very high | 89.3 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.6 | -38.8 | 179.6 | -71.1 | -27.4 | 0 | 0 | 0 | 112.7 | I324 L326 | I324-N328 WeakPolarHBondContact CG2-ND2 3.37Å; I324-N328 WeakPolarHBondContact O-CB 3.32Å; I324-N328 VanDerWaalsContact O-CG 3.3Å; I324-N328 PolarHBondContact O-N 2.9Å; I324-N328 PolarHBondContact O-ND2 2.98Å; L326-N328 VanDerWaalsContact C-N 3.31Å; L326-N328 PolarHBondContact O-N 2.88Å |
| 329 | S | 89.8 | Confident | 88.9 | Confident | 53 Ų | 53 | 65 Ų | 65 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | -178 | -57.7 | 0 | 0 | 0 | 0 | 112 | L325 L326 | L325-S329 VanDerWaalsContact O-CB 3.25Å; L325-S329 WeakPolarHBondContact O-CB 3.06Å; L325-S329 PolarHBondContact O-N 2.84Å; L325-S329 PolarHBondContact O-OG 3.37Å; L326-S329 PolarHBondContact O-N 3.43Å |
| 330 | F | 89.7 | Confident | 88.6 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -103.8 | 5.3 | -178.1 | -66 | -78.1 | 0 | 0 | 0 | 113.9 | L326 L332 L349 F353 Q356 F357 L360 | L326-F330 HydrophobicContact CD2-CD2 4.31Å; L326-F330 HydrophobicContact CD2-CE2 3.97Å; L326-F330 WeakPolarHBondContact O-CD2 3.32Å; L326-F330 PolarHBondContact O-N 2.9Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 HydrophobicContact CB-CD1 3.95Å; F330-L332 HydrophobicContact CB-CD2 4.49Å; F330-L332 HydrophobicContact CB-CG 3.83Å; F330-L332 PolarHBondContact O-N 3.23Å; F330-L349 HydrophobicContact CB-CD2 4.44Å; F330-L349 HydrophobicContact CD1-CD2 4.03Å; F330-L349 HydrophobicContact CD2-CD1 3.69Å; F330-L349 HydrophobicContact CD2-CD2 4.12Å; F330-L349 HydrophobicContact CD2-CG 4.39Å; F330-L349 HydrophobicContact CE1-CD2 4.32Å; F330-L349 HydrophobicContact CE2-CB 4.2Å; F330-L349 HydrophobicContact CE2-CD1 3.86Å; F330-L349 HydrophobicContact CE2-CD2 4.4Å; F330-L349 HydrophobicContact CE2-CG 4.39Å; F330-L349 HydrophobicContact CG-CD1 4.3Å; F330-L349 HydrophobicContact CG-CD2 3.93Å; F330-L349 HydrophobicContact CZ-CB 4.19Å; F330-L349 HydrophobicContact CZ-CD2 4.49Å; F330-F353 HydrophobicContact CD1-CB 4.49Å; F330-F353 AromaticContact CD1-CD2 3.85Å; F330-F353 HydrophobicContact CD1-CD2 3.85Å; F330-F353 HydrophobicContact CD1-CE2 4.4Å; F330-F353 HydrophobicContact CD1-CG 4.33Å; F330-F353 HydrophobicContact CE1-CB 3.67Å; F330-F353 AromaticContact CE1-CD2 3.79Å; F330-F353 HydrophobicContact CE1-CD2 3.79Å; F330-F353 AromaticContact CE1-CG 3.97Å; F330-F353 HydrophobicContact CE1-CG 3.97Å; F330-F353 HydrophobicContact CZ-CB 4.48Å; F330-Q356 HydrophobicContact CE1-CB 4.13Å; F330-F357 HydrophobicContact CE2-CD2 4.48Å; F330-F357 HydrophobicContact CZ-CB 4.42Å; F330-F357 HydrophobicContact CZ-CD2 4.29Å; F330-L360 HydrophobicContact CE2-CD2 4.15Å |
| 331 | N | 89.3 | Confident | 88.5 | Confident | 148 Ų | 148 | 72 Ų | 72 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 47.3 | -177.7 | -66.7 | -53.3 | 0 | 0 | 0 | 113.6 | L327 | L327-N331 CarbonylContact O-C 3.6Å; L327-N331 VanDerWaalsContact O-CA 3.26Å; L327-N331 WeakPolarHBondContact O-CA 3.38Å; L327-N331 PolarHBondContact O-N 3.27Å |
| 332 | L | 90.6 | Very high | 88.4 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | trans | -91 | 154.9 | -179.5 | -59.6 | 171.1 | 0 | 0 | 0 | 111.1 | L327 F330 S336 I337 L349 | L327-L332 HydrophobicContact CD2-CB 3.77Å; L327-L332 PolarHBondContact O-N 2.69Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 HydrophobicContact CB-CD1 3.95Å; F330-L332 HydrophobicContact CB-CD2 4.49Å; F330-L332 HydrophobicContact CB-CG 3.83Å; F330-L332 PolarHBondContact O-N 3.23Å; L332-S336 WeakPolarHBondContact CB-OG 3.47Å; L332-I337 HydrophobicContact CD1-CD1 3.92Å; L332-I337 HydrophobicContact CD1-CG1 4.36Å; L332-L349 HydrophobicContact CD1-CD1 4.43Å; L332-L349 HydrophobicContact CD1-CD2 4.46Å | ||
| 333 | A | 88.2 | Confident | 88.3 | Confident | 73 Ų | 73 | 69 Ų | 69 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | trans | -66.3 | 146.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L327 D335 S336 | L327-A333 VanDerWaalsContact CD2-O 3.25Å; L327-A333 WeakPolarHBondContact CD2-O 3.49Å; A333-D335 PolarHBondContact O-N 2.85Å; A333-D335 VanDerWaalsContact O-N 3.09Å; A333-S336 VanDerWaalsContact O-CB 3.25Å; A333-S336 WeakPolarHBondContact O-CB 3.25Å; A333-S336 PolarHBondContact O-N 3.13Å; A333-S336 PolarHBondContact O-OG 2.81Å | ||
| 334 | E | 84.8 | Confident | 88.3 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -53.6 | -35.3 | -174.6 | -69.8 | -177.2 | 173.1 | 0 | 0 | 114 | S336 | E334-S336 VanDerWaalsContact C-N 3.33Å; E334-S336 PolarHBondContact O-N 3.21Å |
| 335 | D | 84.6 | Confident | 88.2 | Confident | 149 Ų | 149 | 71 Ų | 71 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -84.3 | -4.4 | -178.1 | -63.3 | -34.5 | 0 | 0 | 0 | 114 | A333 | A333-D335 PolarHBondContact O-N 2.85Å; A333-D335 VanDerWaalsContact O-N 3.09Å |
| 336 | S | 85.9 | Confident | 88.1 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -72.6 | -33 | -176.8 | 65.4 | 0 | 0 | 0 | 0 | 113 | L327 L332 A333 E334 N341 | L327-S336 WeakPolarHBondContact CD2-OG 2.99Å; L332-S336 WeakPolarHBondContact CB-OG 3.47Å; A333-S336 VanDerWaalsContact O-CB 3.25Å; A333-S336 WeakPolarHBondContact O-CB 3.25Å; A333-S336 PolarHBondContact O-N 3.13Å; A333-S336 PolarHBondContact O-OG 2.81Å; E334-S336 VanDerWaalsContact C-N 3.33Å; E334-S336 PolarHBondContact O-N 3.21Å; S336-N341 PolarHBondContact O-ND2 3.25Å |
| 337 | I | 86.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.41 | C | S | . | . | trans | -116.8 | 123.4 | 177.4 | -50.1 | -178 | 0 | 0 | 0 | 107.9 | R323 L326 L327 L332 N341 V342 M345 | R323-I337 HydrophobicContact CB-CG2 4.39Å; R323-I337 VanDerWaalsContact CD-O 3.31Å; R323-I337 WeakPolarHBondContact CD-O 3.12Å; R323-I337 HydrophobicContact CG-CB 3.95Å; R323-I337 HydrophobicContact CG-CG2 3.76Å; R323-I337 PolarHBondContact NH1-O 2.97Å; L326-I337 HydrophobicContact CB-CD1 3.74Å; L326-I337 HydrophobicContact CD1-CD1 4.35Å; L327-I337 HydrophobicContact CD2-CB 4.11Å; L327-I337 HydrophobicContact CD2-CD1 3.99Å; L327-I337 HydrophobicContact CD2-CG1 3.85Å; L327-I337 HydrophobicContact CG-CB 4.49Å; L327-I337 HydrophobicContact CG-CD1 4.29Å; L327-I337 HydrophobicContact CG-CG1 4.5Å; L332-I337 HydrophobicContact CD1-CD1 3.92Å; L332-I337 HydrophobicContact CD1-CG1 4.36Å; I337-N341 WeakPolarHBondContact CA-OD1 3.25Å; I337-N341 WeakPolarHBondContact CG2-OD1 3.34Å; I337-V342 HydrophobicContact CG2-CG2 3.93Å; I337-M345 HydrophobicContact CD1-CB 4.49Å; I337-M345 HydrophobicContact CD1-CG 3.74Å; I337-M345 HydrophobicContact CG1-CE 4.12Å; I337-M345 HydrophobicContact CG1-CG 3.89Å | ||
| 338 | T | 87.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 39% | 0.387 | 43% | 0.432 | S | S | . | . | trans | -113.5 | 158.5 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 109 | N340 N341 V342 | T338-N340 PolarHBondContact O-N 2.83Å; T338-N341 PolarHBondContact N-OD1 3.32Å; T338-N341 PolarHBondContact O-N 3.35Å; T338-N341 PolarHBondContact O-OD1 3.45Å; T338-N341 PolarHBondContact OG1-OD1 3.39Å; T338-V342 VanDerWaalsContact O-CG2 3.3Å; T338-V342 WeakPolarHBondContact O-CG2 3.2Å; T338-V342 PolarHBondContact O-N 2.89Å | ||
| 339 | I | 83.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -52.9 | -33.8 | -179.1 | -64.7 | 176.4 | 0 | 0 | 0 | 112 | L319 | L319-I339 HydrophobicContact CB-CG2 4.19Å; L319-I339 HydrophobicContact CD1-CG2 3.59Å |
| 340 | N | 85.5 | Confident | 88.3 | Confident | 160 Ų | 160 | 78.4 Ų | 78.4 | 86% | 0.856 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -75.7 | -22.6 | -177.9 | -62.6 | -28.1 | 0 | 0 | 0 | 114.3 | T338 | T338-N340 PolarHBondContact O-N 2.83Š|
| 341 | N | 90.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 82 Ų | 82 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -111.1 | 6.1 | -175.9 | 76.5 | 3.3 | 0 | 0 | 0 | 113.5 | S336 I337 T338 F343 E344 M345 | S336-N341 PolarHBondContact O-ND2 3.25Å; I337-N341 WeakPolarHBondContact CA-OD1 3.25Å; I337-N341 WeakPolarHBondContact CG2-OD1 3.34Å; T338-N341 PolarHBondContact N-OD1 3.32Å; T338-N341 PolarHBondContact O-N 3.35Å; T338-N341 PolarHBondContact O-OD1 3.45Å; T338-N341 PolarHBondContact OG1-OD1 3.39Å; N341-F343 PolarHBondContact O-N 3.28Å; N341-E344 PolarHBondContact O-N 3.38Å; N341-M345 WeakPolarHBondContact O-CB 3Å; N341-M345 PolarHBondContact O-N 3.38Å |
| 342 | V | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -54.8 | -49.6 | -177.7 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | L319 T322 R323 L326 I337 T338 M345 I346 | L319-V342 HydrophobicContact CD2-CB 4.43Å; L319-V342 HydrophobicContact CD2-CG1 4.31Å; T322-V342 HydrophobicContact CG2-CG1 3.81Å; R323-V342 HydrophobicContact CB-CG2 4.22Å; L326-V342 HydrophobicContact CD1-CG1 4.43Å; I337-V342 HydrophobicContact CG2-CG2 3.93Å; T338-V342 VanDerWaalsContact O-CG2 3.3Å; T338-V342 WeakPolarHBondContact O-CG2 3.2Å; T338-V342 PolarHBondContact O-N 2.89Å; V342-M345 PolarHBondContact O-N 2.97Å; V342-I346 HydrophobicContact CG1-CD1 3.88Å; V342-I346 HydrophobicContact CG1-CG1 4.42Å; V342-I346 VanDerWaalsContact O-CG1 3.31Å; V342-I346 WeakPolarHBondContact O-CG1 3.21Å; V342-I346 PolarHBondContact O-N 3.48Å |
| 343 | F | 88.8 | Confident | 88.5 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 45% | 0.447 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | -177.7 | -67.4 | -68.9 | 0 | 0 | 0 | 113.2 | L319 N341 M345 I346 E347 C367 | L319-F343 HydrophobicContact CD2-CE2 3.72Å; L319-F343 HydrophobicContact CD2-CZ 3.68Å; N341-F343 PolarHBondContact O-N 3.28Å; F343-M345 VanDerWaalsContact C-N 3.31Å; F343-M345 PolarHBondContact O-N 3.45Å; F343-I346 HydrophobicContact CD1-CD1 4.44Å; F343-I346 WeakPolarHBondContact O-CB 3.33Å; F343-I346 PolarHBondContact O-N 2.95Å; F343-E347 PolarHBondContact O-N 3.43Å; F343-C367 HydrophobicContact CZ-CB 4.43Å; F343-C367 WeakPolarHBondContact CZ-O 3.45Å |
| 344 | E | 89.8 | Confident | 88.6 | Confident | 142 Ų | 142 | 80.3 Ų | 80.3 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.4 | -40.8 | 174.5 | -173.3 | -174.3 | 168.8 | 0 | 0 | 110.8 | N341 E347 K348 | N341-E344 PolarHBondContact O-N 3.38Å; E344-E347 PolarHBondContact O-N 3.29Å; E344-K348 WeakPolarHBondContact O-CB 3.22Å; E344-K348 PolarHBondContact O-N 2.93Å |
| 345 | M | 88.6 | Confident | 88.7 | Confident | 33 Ų | 33 | 81 Ų | 81 | 16% | 0.163 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 178 | -165.4 | 66.4 | 75.2 | 0 | 0 | 112.2 | I337 N341 V342 F343 E347 K348 L349 | I337-M345 HydrophobicContact CD1-CB 4.49Å; I337-M345 HydrophobicContact CD1-CG 3.74Å; I337-M345 HydrophobicContact CG1-CE 4.12Å; I337-M345 HydrophobicContact CG1-CG 3.89Å; N341-M345 WeakPolarHBondContact O-CB 3Å; N341-M345 PolarHBondContact O-N 3.38Å; V342-M345 PolarHBondContact O-N 2.97Å; F343-M345 VanDerWaalsContact C-N 3.31Å; F343-M345 PolarHBondContact O-N 3.45Å; M345-E347 VanDerWaalsContact C-N 3.33Å; M345-E347 PolarHBondContact O-N 3.28Å; M345-K348 PolarHBondContact O-N 3.36Å; M345-K348 HydrophobicContact SD-CD 4.23Å; M345-L349 HydrophobicContact CG-CD1 3.72Å; M345-L349 HydrophobicContact CG-CG 4.04Å; M345-L349 WeakPolarHBondContact O-CB 3.27Å; M345-L349 VanDerWaalsContact O-CG 3.26Å; M345-L349 WeakPolarHBondContact O-CG 3.47Å; M345-L349 PolarHBondContact O-N 3.46Å; M345-L349 HydrophobicContact SD-CG 4.36Å |
| 346 | I | 88.2 | Confident | 88.8 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 173.3 | -76.2 | 168.3 | 0 | 0 | 0 | 110.2 | T322 L326 V342 F343 K348 L349 N350 F357 | T322-I346 HydrophobicContact CG2-CD1 3.99Å; L326-I346 HydrophobicContact CD1-CD1 4.4Å; L326-I346 HydrophobicContact CD1-CG1 3.7Å; V342-I346 HydrophobicContact CG1-CD1 3.88Å; V342-I346 HydrophobicContact CG1-CG1 4.42Å; V342-I346 VanDerWaalsContact O-CG1 3.31Å; V342-I346 WeakPolarHBondContact O-CG1 3.21Å; V342-I346 PolarHBondContact O-N 3.48Å; F343-I346 HydrophobicContact CD1-CD1 4.44Å; F343-I346 WeakPolarHBondContact O-CB 3.33Å; F343-I346 PolarHBondContact O-N 2.95Å; I346-K348 PolarHBondContact O-N 3.2Å; I346-L349 PolarHBondContact O-N 3.46Å; I346-N350 VanDerWaalsContact O-CB 3.29Å; I346-N350 WeakPolarHBondContact O-CB 3.38Å; I346-N350 PolarHBondContact O-N 3Å; I346-F357 HydrophobicContact CG2-CE2 4.09Å; I346-F357 HydrophobicContact CG2-CZ 3.73Å |
| 347 | E | 90.2 | Very high | 89 | Confident | 138 Ų | 138 | 78 Ų | 78 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 178 | -171.7 | 177.7 | 178.8 | 0 | 0 | 111.6 | F343 E344 M345 N350 T351 | F343-E347 PolarHBondContact O-N 3.43Å; E344-E347 PolarHBondContact O-N 3.29Å; M345-E347 VanDerWaalsContact C-N 3.33Å; M345-E347 PolarHBondContact O-N 3.28Å; E347-N350 PolarHBondContact O-N 2.84Å; E347-T351 WeakPolarHBondContact O-CG2 3.41Å; E347-T351 PolarHBondContact O-N 2.92Å; E347-T351 PolarHBondContact O-OG1 3.34Å |
| 348 | K | 90.9 | Very high | 89 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 54% | 0.543 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.4 | -169.6 | 175.3 | -178.5 | 178 | 0 | 113.1 | E344 M345 I346 T351 T352 | E344-K348 WeakPolarHBondContact O-CB 3.22Å; E344-K348 PolarHBondContact O-N 2.93Å; M345-K348 PolarHBondContact O-N 3.36Å; M345-K348 HydrophobicContact SD-CD 4.23Å; I346-K348 PolarHBondContact O-N 3.2Å; K348-T351 WeakPolarHBondContact CA-OG1 3.3Å; K348-T351 PolarHBondContact O-OG1 3.5Å; K348-T352 VanDerWaalsContact O-CB 3.31Å; K348-T352 WeakPolarHBondContact O-CB 3.38Å; K348-T352 PolarHBondContact O-N 3.01Å; K348-T352 PolarHBondContact O-OG1 3.06Å |
| 349 | L | 90.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 85.3 Ų | 85.3 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -73.3 | -37.6 | 178.9 | -71.7 | 169.8 | 0 | 0 | 0 | 111.5 | L326 F330 L332 M345 I346 T351 T352 F353 F357 | L326-L349 HydrophobicContact CB-CD1 4.41Å; L326-L349 HydrophobicContact CD2-CD1 3.97Å; F330-L349 HydrophobicContact CB-CD2 4.44Å; F330-L349 HydrophobicContact CD1-CD2 4.03Å; F330-L349 HydrophobicContact CD2-CD1 3.69Å; F330-L349 HydrophobicContact CD2-CD2 4.12Å; F330-L349 HydrophobicContact CD2-CG 4.39Å; F330-L349 HydrophobicContact CE1-CD2 4.32Å; F330-L349 HydrophobicContact CE2-CB 4.2Å; F330-L349 HydrophobicContact CE2-CD1 3.86Å; F330-L349 HydrophobicContact CE2-CD2 4.4Å; F330-L349 HydrophobicContact CE2-CG 4.39Å; F330-L349 HydrophobicContact CG-CD1 4.3Å; F330-L349 HydrophobicContact CG-CD2 3.93Å; F330-L349 HydrophobicContact CZ-CB 4.19Å; F330-L349 HydrophobicContact CZ-CD2 4.49Å; L332-L349 HydrophobicContact CD1-CD1 4.43Å; L332-L349 HydrophobicContact CD1-CD2 4.46Å; M345-L349 HydrophobicContact CG-CD1 3.72Å; M345-L349 HydrophobicContact CG-CG 4.04Å; M345-L349 WeakPolarHBondContact O-CB 3.27Å; M345-L349 VanDerWaalsContact O-CG 3.26Å; M345-L349 WeakPolarHBondContact O-CG 3.47Å; M345-L349 PolarHBondContact O-N 3.46Å; M345-L349 HydrophobicContact SD-CG 4.36Å; I346-L349 PolarHBondContact O-N 3.46Å; L349-T351 VanDerWaalsContact C-N 3.31Å; L349-T351 PolarHBondContact O-N 2.99Å; L349-T352 PolarHBondContact O-N 3.1Å; L349-F353 HydrophobicContact CD2-CD2 4.09Å; L349-F353 HydrophobicContact CD2-CE2 4.35Å; L349-F353 PolarHBondContact O-N 3.26Å; L349-F357 HydrophobicContact CB-CD2 4.36Å |
| 350 | N | 91.8 | Very high | 89.1 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 40% | 0.401 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.9 | -172.5 | 20.6 | 0 | 0 | 0 | 111.6 | I346 E347 P354 F357 | I346-N350 VanDerWaalsContact O-CB 3.29Å; I346-N350 WeakPolarHBondContact O-CB 3.38Å; I346-N350 PolarHBondContact O-N 3Å; E347-N350 PolarHBondContact O-N 2.84Å; N350-P354 WeakPolarHBondContact O-CA 3.26Å; N350-F357 HydrophobicContact CB-CD1 3.73Å; N350-F357 HydrophobicContact CB-CD2 4.22Å; N350-F357 HydrophobicContact CB-CE1 3.92Å; N350-F357 HydrophobicContact CB-CE2 4.38Å; N350-F357 HydrophobicContact CB-CG 3.91Å; N350-F357 HydrophobicContact CB-CZ 4.26Å; N350-F357 WeakPolarHBondContact OD1-CD1 3.34Å |
| 351 | T | 91.9 | Very high | 88.9 | Confident | 103 Ų | 103 | 77.6 Ų | 77.6 | 63% | 0.632 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.3 | -33.7 | 176.7 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | E347 K348 L349 | E347-T351 WeakPolarHBondContact O-CG2 3.41Å; E347-T351 PolarHBondContact O-N 2.92Å; E347-T351 PolarHBondContact O-OG1 3.34Å; K348-T351 WeakPolarHBondContact CA-OG1 3.3Å; K348-T351 PolarHBondContact O-OG1 3.5Å; L349-T351 VanDerWaalsContact C-N 3.31Å; L349-T351 PolarHBondContact O-N 2.99Å |
| 352 | T | 92.3 | Very high | 88.4 | Confident | 78 Ų | 78 | 83 Ų | 83 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -83 | -38.3 | -177.7 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | K348 L349 | K348-T352 VanDerWaalsContact O-CB 3.31Å; K348-T352 WeakPolarHBondContact O-CB 3.38Å; K348-T352 PolarHBondContact O-N 3.01Å; K348-T352 PolarHBondContact O-OG1 3.06Å; L349-T352 PolarHBondContact O-N 3.1Å |
| 353 | F | 91.1 | Very high | 88.2 | Confident | 94 Ų | 94 | 90.1 Ų | 90.1 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | trans | -133.6 | 64.9 | -173.8 | -57.8 | -71.5 | 0 | 0 | 0 | 111.7 | F330 L349 E355 Q356 F357 | F330-F353 HydrophobicContact CD1-CB 4.49Å; F330-F353 AromaticContact CD1-CD2 3.85Å; F330-F353 HydrophobicContact CD1-CD2 3.85Å; F330-F353 HydrophobicContact CD1-CE2 4.4Å; F330-F353 HydrophobicContact CD1-CG 4.33Å; F330-F353 HydrophobicContact CE1-CB 3.67Å; F330-F353 AromaticContact CE1-CD2 3.79Å; F330-F353 HydrophobicContact CE1-CD2 3.79Å; F330-F353 AromaticContact CE1-CG 3.97Å; F330-F353 HydrophobicContact CE1-CG 3.97Å; F330-F353 HydrophobicContact CZ-CB 4.48Å; L349-F353 HydrophobicContact CD2-CD2 4.09Å; L349-F353 HydrophobicContact CD2-CE2 4.35Å; L349-F353 PolarHBondContact O-N 3.26Å; F353-E355 PolarHBondContact O-N 3.28Å; F353-Q356 HydrophobicContact CB-CB 4.38Å; F353-Q356 PolarHBondContact O-N 2.87Å; F353-F357 VanDerWaalsContact O-CB 3.26Å; F353-F357 WeakPolarHBondContact O-CB 3.44Å; F353-F357 PolarHBondContact O-N 3.24Å | ||
| 354 | P | 89.5 | Confident | 88 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | -170.4 | 23.4 | -34.1 | 0 | 0 | 0 | 113.9 | N350 A358 | N350-P354 WeakPolarHBondContact O-CA 3.26Å; P354-A358 WeakPolarHBondContact O-CB 3.17Å; P354-A358 PolarHBondContact O-N 3.19Å |
| 355 | E | 87.8 | Confident | 87.7 | Confident | 171 Ų | 171 | 85.5 Ų | 85.5 | 80% | 0.799 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.6 | -47.1 | -179.4 | -67.1 | -173.3 | 170.6 | 0 | 0 | 112.2 | F353 F357 A358 E359 | F353-E355 PolarHBondContact O-N 3.28Å; E355-F357 VanDerWaalsContact C-N 3.31Å; E355-F357 PolarHBondContact O-N 3.01Å; E355-A358 PolarHBondContact O-N 3.08Å; E355-E359 PolarHBondContact O-N 3.22Å |
| 356 | Q | 86.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.3 | -72.3 | -179.9 | -18.7 | 0 | 0 | 111.7 | F330 F353 E359 L360 | F330-Q356 HydrophobicContact CE1-CB 4.13Å; F353-Q356 HydrophobicContact CB-CB 4.38Å; F353-Q356 PolarHBondContact O-N 2.87Å; Q356-E359 PolarHBondContact O-N 3.12Å; Q356-L360 PolarHBondContact O-N 3.35Å |
| 357 | F | 89.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 88.7 Ų | 88.7 | 8% | 0.075 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 177 | -169.4 | -89.9 | 0 | 0 | 0 | 112 | L326 F330 I346 L349 N350 F353 E355 E359 L360 S361 L364 | L326-F357 HydrophobicContact CD2-CE2 4.43Å; F330-F357 HydrophobicContact CE2-CD2 4.48Å; F330-F357 HydrophobicContact CZ-CB 4.42Å; F330-F357 HydrophobicContact CZ-CD2 4.29Å; I346-F357 HydrophobicContact CG2-CE2 4.09Å; I346-F357 HydrophobicContact CG2-CZ 3.73Å; L349-F357 HydrophobicContact CB-CD2 4.36Å; N350-F357 HydrophobicContact CB-CD1 3.73Å; N350-F357 HydrophobicContact CB-CD2 4.22Å; N350-F357 HydrophobicContact CB-CE1 3.92Å; N350-F357 HydrophobicContact CB-CE2 4.38Å; N350-F357 HydrophobicContact CB-CG 3.91Å; N350-F357 HydrophobicContact CB-CZ 4.26Å; N350-F357 WeakPolarHBondContact OD1-CD1 3.34Å; F353-F357 VanDerWaalsContact O-CB 3.26Å; F353-F357 WeakPolarHBondContact O-CB 3.44Å; F353-F357 PolarHBondContact O-N 3.24Å; E355-F357 VanDerWaalsContact C-N 3.31Å; E355-F357 PolarHBondContact O-N 3.01Å; F357-E359 VanDerWaalsContact C-N 3.31Å; F357-E359 PolarHBondContact O-N 3.17Å; F357-L360 CarbonylContact O-C 3.59Å; F357-L360 WeakPolarHBondContact O-CB 3.44Å; F357-L360 PolarHBondContact O-N 3.26Å; F357-S361 PolarHBondContact O-N 3.42Å; F357-L364 HydrophobicContact CE1-CD1 4.36Å; F357-L364 HydrophobicContact CE2-CD1 3.9Å; F357-L364 HydrophobicContact CZ-CD1 3.54Å |
| 358 | A | 86.3 | Confident | 87.7 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P354 E355 L360 S361 | P354-A358 WeakPolarHBondContact O-CB 3.17Å; P354-A358 PolarHBondContact O-N 3.19Å; E355-A358 PolarHBondContact O-N 3.08Å; A358-L360 VanDerWaalsContact C-N 3.27Å; A358-L360 PolarHBondContact O-N 3.38Å; A358-S361 PolarHBondContact O-N 2.88Å; A358-S361 PolarHBondContact O-OG 3.33Å |
| 359 | E | 86.1 | Confident | 87.6 | Confident | 161 Ų | 161 | 79.8 Ų | 79.8 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.4 | -30.6 | 174.4 | -65.6 | -174.9 | 171.8 | 0 | 0 | 112.9 | E355 Q356 F357 | E355-E359 PolarHBondContact O-N 3.22Å; Q356-E359 PolarHBondContact O-N 3.12Å; F357-E359 VanDerWaalsContact C-N 3.31Å; F357-E359 PolarHBondContact O-N 3.17Å |
| 360 | L | 87.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 83.9 Ų | 83.9 | 6% | 0.058 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -82.5 | -27.6 | 179.7 | -164.9 | 63.9 | 0 | 0 | 0 | 113.2 | L325 L326 F330 Q356 F357 A358 N362 K363 L364 | L325-L360 HydrophobicContact CD1-CD1 3.91Å; L325-L360 HydrophobicContact CD2-CD1 3.79Å; L325-L360 HydrophobicContact CD2-CG 4.28Å; L325-L360 HydrophobicContact CG-CD1 3.75Å; L325-L360 HydrophobicContact CG-CD2 4.47Å; L325-L360 HydrophobicContact CG-CG 4.45Å; L326-L360 HydrophobicContact CD2-CD2 3.7Å; F330-L360 HydrophobicContact CE2-CD2 4.15Å; Q356-L360 PolarHBondContact O-N 3.35Å; F357-L360 CarbonylContact O-C 3.59Å; F357-L360 WeakPolarHBondContact O-CB 3.44Å; F357-L360 PolarHBondContact O-N 3.26Å; A358-L360 VanDerWaalsContact C-N 3.27Å; A358-L360 PolarHBondContact O-N 3.38Å; L360-N362 PolarHBondContact O-N 2.9Å; L360-N362 VanDerWaalsContact O-N 3.1Å; L360-K363 HydrophobicContact CD1-CD 4.47Å; L360-K363 WeakPolarHBondContact O-CA 3.47Å; L360-K363 WeakPolarHBondContact O-CB 3.49Å; L360-K363 PolarHBondContact O-N 3.14Å; L360-L364 HydrophobicContact CG-CG 4.45Å; L360-L364 PolarHBondContact O-N 3.44Å |
| 361 | S | 80.9 | Confident | 87.4 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -52.1 | -37.9 | -172.4 | 67.2 | 0 | 0 | 0 | 0 | 114 | F357 A358 K363 L364 | F357-S361 PolarHBondContact O-N 3.42Å; A358-S361 PolarHBondContact O-N 2.88Å; A358-S361 PolarHBondContact O-OG 3.33Å; S361-K363 PolarHBondContact O-N 3.01Å; S361-L364 PolarHBondContact O-N 2.97Å |
| 362 | N | 80.9 | Confident | 87.3 | Confident | 152 Ų | 152 | 81.5 Ų | 81.5 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.8 | 179 | -67.2 | -38.5 | 0 | 0 | 0 | 114.3 | L360 | L360-N362 PolarHBondContact O-N 2.9Å; L360-N362 VanDerWaalsContact O-N 3.1Å |
| 363 | K | 84 | Confident | 87 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -10.4 | 177.8 | -62.6 | 179.5 | -178.7 | 172.8 | 0 | 112.8 | L325 L360 S361 | L325-K363 HydrophobicContact CD2-CB 4.15Å; L360-K363 HydrophobicContact CD1-CD 4.47Å; L360-K363 WeakPolarHBondContact O-CA 3.47Å; L360-K363 WeakPolarHBondContact O-CB 3.49Å; L360-K363 PolarHBondContact O-N 3.14Å; S361-K363 PolarHBondContact O-N 3.01Å |
| 364 | L | 84.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | trans | -76.1 | 127.2 | 177.2 | -76.4 | 165.1 | 0 | 0 | 0 | 109.5 | T322 L325 F357 L360 S361 | T322-L364 HydrophobicContact CG2-CD2 3.5Å; L325-L364 HydrophobicContact CD2-CD2 4.38Å; F357-L364 HydrophobicContact CE1-CD1 4.36Å; F357-L364 HydrophobicContact CE2-CD1 3.9Å; F357-L364 HydrophobicContact CZ-CD1 3.54Å; L360-L364 HydrophobicContact CG-CG 4.45Å; L360-L364 PolarHBondContact O-N 3.44Å; S361-L364 PolarHBondContact O-N 2.97Å | ||
| 365 | E | 83 | Confident | 86.3 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | trans | -82 | 141.9 | 172.7 | -67.2 | 178.3 | 177.3 | 0 | 0 | 109.6 | C367 | E365-C367 PolarHBondContact O-N 3.44Å; E365-C367 VanDerWaalsContact O-N 3.13Å | ||
| 366 | D | 85.5 | Confident | 85.4 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | trans | -77.5 | 94.8 | 172.9 | -179.6 | 29.4 | 0 | 0 | 0 | 110 | S368 N371 | D366-S368 PolarHBondContact O-N 2.8Å; D366-N371 PolarHBondContact OD2-ND2 3.49Å | ||
| 367 | C | 90 | Very high | 84.6 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -83.7 | 100.3 | -179.5 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | Y315 C318 L319 F343 E365 | Y315-C367 HydrophobicContact CD2-CB 4.35Å; Y315-C367 HydrophobicContact CE2-CB 4.34Å; Y315-C367 WeakPolarHBondContact CE2-O 3.24Å; C318-C367 HydrophobicContact CB-CB 3.86Å; C318-C367 WeakPolarHBondContact CB-SG 3.09Å; C318-C367 PolarHBondContact O-SG 2.97Å; C318-C367 WeakPolarHBondContact SG-CA 3.36Å; C318-C367 WeakPolarHBondContact SG-CB 3.21Å; C318-C367 CovalentContact SG-SG 2.04Å; C318-C367 PolarHBondContact SG-SG 2.94Å; L319-C367 HydrophobicContact CD2-CB 3.79Å; L319-C367 HydrophobicContact CG-CB 4.29Å; F343-C367 HydrophobicContact CZ-CB 4.43Å; F343-C367 WeakPolarHBondContact CZ-O 3.45Å; E365-C367 PolarHBondContact O-N 3.44Å; E365-C367 VanDerWaalsContact O-N 3.13Å | ||
| 368 | S | 91.4 | Very high | 83.5 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | trans | -129.6 | 123.4 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | D366 E370 N371 E372 | D366-S368 PolarHBondContact O-N 2.8Å; S368-E370 VanDerWaalsContact C-N 3.3Å; S368-E370 PolarHBondContact O-N 3.45Å; S368-E370 PolarHBondContact OG-N 2.77Å; S368-N371 PolarHBondContact O-N 2.92Å; S368-N371 PolarHBondContact OG-N 2.94Å; S368-E372 PolarHBondContact O-N 3.4Å | ||
| 369 | L | 90.3 | Very high | 82.9 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 177.2 | -178.6 | 63.5 | 0 | 0 | 0 | 112.1 | A311 Y315 N371 E372 L373 | A311-L369 HydrophobicContact CB-CD1 4.15Å; Y315-L369 HydrophobicContact CD1-CB 4.41Å; Y315-L369 HydrophobicContact CD2-CB 4.11Å; Y315-L369 HydrophobicContact CE2-CB 4.39Å; Y315-L369 HydrophobicContact CG-CB 4.1Å; Y315-L369 HydrophobicContact CG-CD1 4.37Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-E372 PolarHBondContact O-N 2.71Å; L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CD1-CG 4.43Å; L369-L373 HydrophobicContact CG-CD1 4.01Å; L369-L373 HydrophobicContact CG-CG 4.45Å; L369-L373 WeakPolarHBondContact O-CB 3.28Å; L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.39Å |
| 370 | E | 88.6 | Confident | 82.7 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 177.2 | -174.6 | 67.7 | -169.9 | 0 | 0 | 111.1 | Y235 K240 S368 L373 S374 | Y235-E370 WeakPolarHBondContact CE2-OE1 3.48Å; K240-E370 IonicContact NZ-OE1 3.81Å; S368-E370 VanDerWaalsContact C-N 3.3Å; S368-E370 PolarHBondContact O-N 3.45Å; S368-E370 PolarHBondContact OG-N 2.77Å; E370-L373 PolarHBondContact O-N 2.96Å; E370-S374 VanDerWaalsContact O-CB 3.3Å; E370-S374 WeakPolarHBondContact O-CB 3.14Å; E370-S374 PolarHBondContact O-N 3.28Å; E370-S374 PolarHBondContact O-OG 2.78Å |
| 371 | N | 88.5 | Confident | 82.6 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.2 | -69.2 | -7 | 0 | 0 | 0 | 110.3 | D366 S368 L369 L373 S374 T375 | D366-N371 PolarHBondContact OD2-ND2 3.49Å; S368-N371 PolarHBondContact O-N 2.92Å; S368-N371 PolarHBondContact OG-N 2.94Å; L369-N371 VanDerWaalsContact C-N 3.33Å; N371-L373 VanDerWaalsContact C-N 3.32Å; N371-L373 PolarHBondContact O-N 3.47Å; N371-S374 WeakPolarHBondContact CA-OG 3.46Å; N371-S374 PolarHBondContact O-N 3.49Å; N371-S374 PolarHBondContact O-OG 3.38Å; N371-T375 VanDerWaalsContact O-CG2 3.28Å; N371-T375 WeakPolarHBondContact O-CG2 3.46Å; N371-T375 PolarHBondContact O-N 3.03Å; N371-T375 VanDerWaalsContact O-N 3.1Å |
| 372 | E | 89.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.9 | -71.6 | -64.8 | 135.5 | 0 | 0 | 112.1 | Y307 A311 N314 S368 L369 S374 T375 | Y307-E372 PolarHBondContact OH-O 2.93Å; A311-E372 HydrophobicContact CB-CB 3.87Å; N314-E372 HydrophobicContact CB-CG 4.27Å; N314-E372 VanDerWaalsContact CB-OE2 3.29Å; N314-E372 WeakPolarHBondContact CB-OE2 3.33Å; N314-E372 PolarHBondContact ND2-OE2 3.06Å; S368-E372 PolarHBondContact O-N 3.4Å; L369-E372 PolarHBondContact O-N 2.71Å; E372-S374 VanDerWaalsContact C-N 3.34Å; E372-S374 PolarHBondContact O-N 3.42Å; E372-T375 PolarHBondContact O-OG1 3.16Å |
| 373 | L | 87.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.5 | -25.8 | 177.8 | -74.6 | 170.2 | 0 | 0 | 0 | 113.7 | Q45 N231 Y235 Y307 A311 L369 E370 N371 | Q45-L373 PolarHBondContact NE2-O 3.36Å; N231-L373 HydrophobicContact CB-CD1 4.4Å; Y235-L373 HydrophobicContact CD2-CB 3.98Å; Y235-L373 HydrophobicContact CD2-CD1 4.44Å; Y235-L373 HydrophobicContact CE2-CB 4.26Å; Y235-L373 HydrophobicContact CG-CB 4.36Å; Y307-L373 HydrophobicContact CD1-CD2 4.24Å; Y307-L373 HydrophobicContact CE1-CD2 4.45Å; Y307-L373 WeakPolarHBondContact CE1-O 3.21Å; A311-L373 HydrophobicContact CB-CD2 3.71Å; A311-L373 HydrophobicContact CB-CG 3.98Å; L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CD1-CG 4.43Å; L369-L373 HydrophobicContact CG-CD1 4.01Å; L369-L373 HydrophobicContact CG-CG 4.45Å; L369-L373 WeakPolarHBondContact O-CB 3.28Å; L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.39Å; E370-L373 PolarHBondContact O-N 2.96Å; N371-L373 VanDerWaalsContact C-N 3.32Å; N371-L373 PolarHBondContact O-N 3.47Å |
| 374 | S | 83.7 | Confident | 83.6 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -90.5 | -11 | 179.3 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | E370 N371 E372 A376 | E370-S374 VanDerWaalsContact O-CB 3.3Å; E370-S374 WeakPolarHBondContact O-CB 3.14Å; E370-S374 PolarHBondContact O-N 3.28Å; E370-S374 PolarHBondContact O-OG 2.78Å; N371-S374 WeakPolarHBondContact CA-OG 3.46Å; N371-S374 PolarHBondContact O-N 3.49Å; N371-S374 PolarHBondContact O-OG 3.38Å; E372-S374 VanDerWaalsContact C-N 3.34Å; E372-S374 PolarHBondContact O-N 3.42Å; S374-A376 VanDerWaalsContact C-N 3.29Å; S374-A376 PolarHBondContact O-N 3.01Å |
| 375 | T | 81.8 | Confident | 84 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | trans | -68.3 | 79.3 | 175.4 | 54 | 0 | 0 | 0 | 0 | 112.7 | Y307 N371 E372 | Y307-T375 PolarHBondContact OH-O 2.89Å; Y307-T375 PolarHBondContact OH-OG1 2.94Å; N371-T375 VanDerWaalsContact O-CG2 3.28Å; N371-T375 WeakPolarHBondContact O-CG2 3.46Å; N371-T375 PolarHBondContact O-N 3.03Å; N371-T375 VanDerWaalsContact O-N 3.1Å; E372-T375 PolarHBondContact O-OG1 3.16Å | ||
| 376 | A | 67.7 | Low | 84.3 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | trans | -71.9 | 135.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y42 Q45 M46 S374 | Y42-A376 HydrophobicContact CD2-CB 3.94Å; Y42-A376 HydrophobicContact CE2-CB 3.81Å; Q45-A376 HydrophobicContact CG-CB 4.16Å; M46-A376 HydrophobicContact CG-CB 3.9Å; M46-A376 HydrophobicContact SD-CB 3.38Å; M46-A376 WeakPolarHBondContact SD-CB 3.38Å; S374-A376 VanDerWaalsContact C-N 3.29Å; S374-A376 PolarHBondContact O-N 3.01Å | ||
| 377 | V | 71.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 32.6 Ų | 32.6 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | trans | -114.1 | 124.2 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | Y42 G381 V386 | Y42-V377 WeakPolarHBondContact CD2-O 3.32Å; V377-G381 VanDerWaalsContact CG1-C 3.45Å; V377-V386 HydrophobicContact CB-CG2 3.84Å; V377-V386 HydrophobicContact CG1-CG2 4.33Å; V377-V386 HydrophobicContact CG2-CG2 3.7Å | ||
| 378 | E | 65.6 | Low | 84.8 | Confident | 101 Ų | 101 | 32.1 Ų | 32.1 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | trans | -81.2 | 147 | -177 | -170.8 | 157.6 | -170.8 | 0 | 0 | 113 | Y42 T380 G381 | Y42-E378 HydrophobicContact CD1-CB 4.29Å; Y42-E378 HydrophobicContact CD1-CG 3.8Å; Y42-E378 HydrophobicContact CD2-CB 4.09Å; Y42-E378 HydrophobicContact CD2-CG 4.49Å; Y42-E378 HydrophobicContact CE1-CB 3.82Å; Y42-E378 HydrophobicContact CE1-CG 3.36Å; Y42-E378 WeakPolarHBondContact CE1-OE1 3.32Å; Y42-E378 WeakPolarHBondContact CE1-OE2 3.34Å; Y42-E378 HydrophobicContact CE2-CB 3.61Å; Y42-E378 HydrophobicContact CE2-CG 4.15Å; Y42-E378 HydrophobicContact CG-CB 4.4Å; Y42-E378 HydrophobicContact CG-CG 4.33Å; Y42-E378 VanDerWaalsContact CZ-CB 3.44Å; Y42-E378 VanDerWaalsContact CZ-CD 3.44Å; Y42-E378 VanDerWaalsContact CZ-OE2 3.3Å; Y42-E378 PolarHBondContact OH-OE2 3.45Å; E378-T380 PolarHBondContact O-N 3.33Å; E378-G381 PolarHBondContact O-N 3.35Å; E378-G381 VanDerWaalsContact O-N 3.17Å | ||
| 379 | G | 73.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -119.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G381 L382 | G379-G381 VanDerWaalsContact C-N 3.25Å; G379-G381 PolarHBondContact O-N 2.83Å; G379-L382 PolarHBondContact O-N 2.84Å |
| 380 | T | 82.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -29.7 | -175.6 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | W117 E378 L382 A383 F384 F465 | W117-T380 HydrophobicContact CE3-CG2 4.15Å; W117-T380 HydrophobicContact CH2-CG2 4.19Å; W117-T380 HydrophobicContact CZ3-CG2 3.4Å; W117-T380 VanDerWaalsContact CZ3-CG2 3.4Å; E378-T380 PolarHBondContact O-N 3.33Å; T380-L382 PolarHBondContact O-N 2.9Å; T380-A383 PolarHBondContact O-N 2.93Å; T380-F384 WeakPolarHBondContact O-CB 3.09Å; T380-F384 WeakPolarHBondContact O-CD2 3.31Å; T380-F384 PolarHBondContact O-N 2.94Å; T380-F465 HydrophobicContact CG2-CD1 4.48Å; T380-F465 HydrophobicContact CG2-CE1 3.57Å; T380-F465 HydrophobicContact CG2-CZ 3.85Å |
| 381 | G | 84.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V377 E378 G379 A383 I385 V386 | V377-G381 VanDerWaalsContact CG1-C 3.45Å; E378-G381 PolarHBondContact O-N 3.35Å; E378-G381 VanDerWaalsContact O-N 3.17Å; G379-G381 VanDerWaalsContact C-N 3.25Å; G379-G381 PolarHBondContact O-N 2.83Å; G381-A383 VanDerWaalsContact C-N 3.35Å; G381-A383 PolarHBondContact O-N 3.4Å; G381-I385 WeakPolarHBondContact O-CA 3.49Å; G381-I385 WeakPolarHBondContact O-CB 3.49Å; G381-I385 PolarHBondContact O-N 3.14Å; G381-V386 PolarHBondContact O-N 3.13Å |
| 382 | L | 84.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -61.4 | -47 | 175.6 | -173 | 62.3 | 0 | 0 | 0 | 110.6 | W38 T303 G379 T380 V386 Y387 | W38-L382 HydrophobicContact CB-CB 4.43Å; W38-L382 HydrophobicContact CB-CD2 4.1Å; W38-L382 WeakPolarHBondContact O-CD2 3.37Å; T303-L382 HydrophobicContact CG2-CD2 4.37Å; G379-L382 PolarHBondContact O-N 2.84Å; T380-L382 PolarHBondContact O-N 2.9Å; L382-V386 HydrophobicContact CD1-CB 3.96Å; L382-V386 HydrophobicContact CD1-CG1 3.94Å; L382-V386 HydrophobicContact CD1-CG2 4.2Å; L382-V386 WeakPolarHBondContact O-CB 3.32Å; L382-V386 PolarHBondContact O-N 2.74Å; L382-Y387 WeakPolarHBondContact O-CD2 3.25Å; L382-Y387 PolarHBondContact O-N 3.3Å; L382-Y387 VanDerWaalsContact O-N 3.11Å |
| 383 | A | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -76.1 | -42.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W38 T380 G381 Y387 Y404 L408 | W38-A383 HydrophobicContact CB-CB 4.45Å; W38-A383 HydrophobicContact CD2-CB 4.33Å; W38-A383 HydrophobicContact CE3-CB 3.35Å; W38-A383 HydrophobicContact CZ3-CB 3.71Å; T380-A383 PolarHBondContact O-N 2.93Å; G381-A383 VanDerWaalsContact C-N 3.35Å; G381-A383 PolarHBondContact O-N 3.4Å; A383-Y387 WeakPolarHBondContact O-CB 3.41Å; A383-Y404 WeakPolarHBondContact CA-OH 3.39Å; A383-Y404 WeakPolarHBondContact O-CE1 3.32Å; A383-Y404 PolarHBondContact O-OH 3.46Å; A383-L408 HydrophobicContact CB-CD1 4.31Å |
| 384 | F | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -98.5 | -19.6 | -172.7 | -66 | -74.3 | 0 | 0 | 0 | 113.8 | W38 I114 W117 Y121 F158 T380 S388 F405 | W38-F384 HydrophobicContact CZ3-CE2 4.22Å; I114-F384 HydrophobicContact CG2-CE2 4.21Å; I114-F384 HydrophobicContact CG2-CZ 4.14Å; W117-F384 HydrophobicContact CB-CD1 4.46Å; W117-F384 HydrophobicContact CB-CE1 3.72Å; W117-F384 HydrophobicContact CB-CE2 4.06Å; W117-F384 HydrophobicContact CB-CZ 3.49Å; W117-F384 VanDerWaalsContact CB-CZ 3.49Å; W117-F384 HydrophobicContact CE3-CD2 4.45Å; W117-F384 AromaticContact CE3-CE2 3.87Å; W117-F384 HydrophobicContact CE3-CE2 3.87Å; W117-F384 HydrophobicContact CE3-CZ 4.41Å; Y121-F384 HydrophobicContact CD1-CD1 4.47Å; Y121-F384 AromaticContact CD2-CD1 3.56Å; Y121-F384 HydrophobicContact CD2-CD1 3.56Å; Y121-F384 AromaticContact CD2-CE1 3.98Å; Y121-F384 HydrophobicContact CD2-CE1 3.98Å; Y121-F384 HydrophobicContact CE1-CD1 4.45Å; Y121-F384 HydrophobicContact CE2-CB 4.17Å; Y121-F384 AromaticContact CE2-CD1 3.56Å; Y121-F384 HydrophobicContact CE2-CD1 3.56Å; Y121-F384 HydrophobicContact CE2-CE1 4.34Å; Y121-F384 HydrophobicContact CE2-CG 4.18Å; Y121-F384 HydrophobicContact CG-CD1 4.03Å; Y121-F384 HydrophobicContact CG-CE1 4.45Å; Y121-F384 PolarHBondContact OH-O 3.41Å; F158-F384 HydrophobicContact CD2-CB 3.71Å; F158-F384 HydrophobicContact CD2-CG 4.37Å; F158-F384 HydrophobicContact CE2-CB 3.77Å; F158-F384 HydrophobicContact CE2-CD2 4.12Å; F158-F384 HydrophobicContact CE2-CG 4.06Å; T380-F384 WeakPolarHBondContact O-CB 3.09Å; T380-F384 WeakPolarHBondContact O-CD2 3.31Å; T380-F384 PolarHBondContact O-N 2.94Å; F384-S388 VanDerWaalsContact O-CB 3.29Å; F384-S388 WeakPolarHBondContact O-CB 3.48Å; F384-S388 PolarHBondContact O-OG 3.4Å; F384-F405 HydrophobicContact CD1-CD1 4.5Å; F384-F405 AromaticContact CD1-CE1 3.71Å; F384-F405 HydrophobicContact CD1-CE1 3.71Å; F384-F405 HydrophobicContact CE1-CD1 4.26Å; F384-F405 AromaticContact CE1-CE1 3.9Å; F384-F405 HydrophobicContact CE1-CE1 3.9Å |
| 385 | I | 92.3 | Very high | 86.2 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -108.5 | -60.4 | -178.9 | -51.9 | 173.7 | 0 | 0 | 0 | 110.1 | Q155 F158 Y159 G381 S388 E389 | Q155-I385 HydrophobicContact CG-CD1 4.29Å; Q155-I385 HydrophobicContact CG-CG2 3.66Å; F158-I385 HydrophobicContact CB-CD1 4.3Å; F158-I385 HydrophobicContact CB-CG1 4Å; F158-I385 HydrophobicContact CD1-CD1 3.86Å; F158-I385 HydrophobicContact CD1-CG1 4.22Å; F158-I385 HydrophobicContact CG-CD1 4.23Å; F158-I385 HydrophobicContact CG-CG1 4.08Å; Y159-I385 HydrophobicContact CE2-CD1 3.97Å; G381-I385 WeakPolarHBondContact O-CA 3.49Å; G381-I385 WeakPolarHBondContact O-CB 3.49Å; G381-I385 PolarHBondContact O-N 3.14Å; I385-S388 PolarHBondContact O-N 3.39Å; I385-E389 VanDerWaalsContact O-CB 3.28Å; I385-E389 WeakPolarHBondContact O-CB 3.32Å; I385-E389 PolarHBondContact O-N 3.35Å |
| 386 | V | 90.4 | Very high | 86.8 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -65.6 | -46.7 | -172.9 | 176.8 | 0 | 0 | 0 | 0 | 112 | Y307 K310 V377 G381 L382 E389 A390 | Y307-V386 HydrophobicContact CD2-CG1 3.67Å; Y307-V386 HydrophobicContact CE2-CG1 3.79Å; K310-V386 HydrophobicContact CD-CG1 3.79Å; V377-V386 HydrophobicContact CB-CG2 3.84Å; V377-V386 HydrophobicContact CG1-CG2 4.33Å; V377-V386 HydrophobicContact CG2-CG2 3.7Å; G381-V386 PolarHBondContact O-N 3.13Å; L382-V386 HydrophobicContact CD1-CB 3.96Å; L382-V386 HydrophobicContact CD1-CG1 3.94Å; L382-V386 HydrophobicContact CD1-CG2 4.2Å; L382-V386 WeakPolarHBondContact O-CB 3.32Å; L382-V386 PolarHBondContact O-N 2.74Å; V386-E389 WeakPolarHBondContact O-CB 3.39Å; V386-E389 PolarHBondContact O-N 2.87Å; V386-A390 PolarHBondContact O-N 2.97Å |
| 387 | Y | 91.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.3 | -95.5 | -89.3 | 0 | 0 | 0 | 112.2 | T303 I306 L382 A383 E389 A390 I391 Y404 | T303-Y387 VanDerWaalsContact CA-OH 3.3Å; T303-Y387 WeakPolarHBondContact CA-OH 3.35Å; T303-Y387 WeakPolarHBondContact CB-OH 3.27Å; T303-Y387 HydrophobicContact CG2-CE2 3.85Å; T303-Y387 PolarHBondContact OG1-OH 2.99Å; I306-Y387 HydrophobicContact CD1-CD1 4.14Å; I306-Y387 HydrophobicContact CD1-CE1 3.42Å; I306-Y387 VanDerWaalsContact CD1-CE1 3.42Å; L382-Y387 WeakPolarHBondContact O-CD2 3.25Å; L382-Y387 PolarHBondContact O-N 3.3Å; L382-Y387 VanDerWaalsContact O-N 3.11Å; A383-Y387 WeakPolarHBondContact O-CB 3.41Å; Y387-E389 VanDerWaalsContact C-N 3.29Å; Y387-E389 PolarHBondContact O-N 3.48Å; Y387-A390 PolarHBondContact O-N 3.41Å; Y387-I391 WeakPolarHBondContact O-CB 3.37Å; Y387-I391 WeakPolarHBondContact O-CG1 3.47Å; Y387-I391 PolarHBondContact O-N 3.35Å; Y387-Y404 AromaticContact CD1-CD2 3.78Å; Y387-Y404 HydrophobicContact CD1-CD2 3.78Å; Y387-Y404 HydrophobicContact CD1-CE1 4.29Å; Y387-Y404 AromaticContact CD1-CE2 3.25Å; Y387-Y404 HydrophobicContact CD1-CE2 3.25Å; Y387-Y404 HydrophobicContact CD1-CG 4.48Å; Y387-Y404 AromaticContact CD1-CZ 3.55Å; Y387-Y404 HydrophobicContact CD2-CE2 4.07Å; Y387-Y404 AromaticContact CD2-CZ 3.77Å; Y387-Y404 WeakPolarHBondContact CD2-OH 3.48Å; Y387-Y404 AromaticContact CE1-CD2 4Å; Y387-Y404 HydrophobicContact CE1-CD2 4Å; Y387-Y404 AromaticContact CE1-CE2 3.42Å; Y387-Y404 HydrophobicContact CE1-CE2 3.42Å; Y387-Y404 VanDerWaalsContact CE1-CE2 3.42Å; Y387-Y404 HydrophobicContact CE2-CE2 4.23Å; Y387-Y404 HydrophobicContact CG-CD2 4.43Å; Y387-Y404 HydrophobicContact CG-CE1 4.04Å; Y387-Y404 AromaticContact CG-CE2 3.59Å; Y387-Y404 HydrophobicContact CG-CE2 3.59Å; Y387-Y404 AromaticContact CG-CZ 3.35Å; Y387-Y404 AromaticContact CZ-CE2 3.93Å |
| 388 | S | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | F384 I385 I391 K392 | F384-S388 VanDerWaalsContact O-CB 3.29Å; F384-S388 WeakPolarHBondContact O-CB 3.48Å; F384-S388 PolarHBondContact O-OG 3.4Å; I385-S388 PolarHBondContact O-N 3.39Å; S388-I391 PolarHBondContact O-N 2.89Å; S388-K392 PolarHBondContact O-N 3.45Å |
| 389 | E | 92.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.4 | -171.9 | 66 | -161 | 0 | 0 | 111.7 | T154 K310 I385 V386 Y387 K392 N393 | T154-E389 WeakPolarHBondContact CB-OE2 3.44Å; T154-E389 HydrophobicContact CG2-CB 4.13Å; T154-E389 WeakPolarHBondContact CG2-OE2 3.47Å; T154-E389 PolarHBondContact OG1-OE2 3.45Å; K310-E389 HydrophobicContact CD-CG 4.42Å; I385-E389 VanDerWaalsContact O-CB 3.28Å; I385-E389 WeakPolarHBondContact O-CB 3.32Å; I385-E389 PolarHBondContact O-N 3.35Å; V386-E389 WeakPolarHBondContact O-CB 3.39Å; V386-E389 PolarHBondContact O-N 2.87Å; Y387-E389 VanDerWaalsContact C-N 3.29Å; Y387-E389 PolarHBondContact O-N 3.48Å; E389-K392 WeakPolarHBondContact O-CG 3.13Å; E389-K392 WeakPolarHBondContact OE1-CE 3.39Å; E389-K392 IonicContact OE1-NZ 3.51Å; E389-K392 PolarHBondContact OE1-NZ 2.82Å; E389-K392 VanDerWaalsContact OE2-CE 3.29Å; E389-K392 WeakPolarHBondContact OE2-CE 3.28Å; E389-K392 IonicContact OE2-NZ 3.66Å; E389-K392 PolarHBondContact OE2-NZ 3.08Å; E389-N393 PolarHBondContact O-ND2 3.24Å |
| 390 | A | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I306 K310 V386 Y387 K392 N393 M394 | I306-A390 HydrophobicContact CG2-CB 3.32Å; K310-A390 HydrophobicContact CB-CB 4.39Å; V386-A390 PolarHBondContact O-N 2.97Å; Y387-A390 PolarHBondContact O-N 3.41Å; A390-K392 PolarHBondContact O-N 2.94Å; A390-N393 PolarHBondContact O-N 2.99Å; A390-M394 HydrophobicContact CB-CE 4.23Å; A390-M394 WeakPolarHBondContact O-CG 3.36Å |
| 391 | I | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | -177.3 | -74.5 | 167.1 | 0 | 0 | 0 | 111.8 | L130 Y387 S388 N393 M394 S397 W400 Y404 | L130-I391 HydrophobicContact CD1-CG2 4.24Å; Y387-I391 WeakPolarHBondContact O-CB 3.37Å; Y387-I391 WeakPolarHBondContact O-CG1 3.47Å; Y387-I391 PolarHBondContact O-N 3.35Å; S388-I391 PolarHBondContact O-N 2.89Å; I391-N393 PolarHBondContact O-N 3.37Å; I391-M394 WeakPolarHBondContact O-CB 3.28Å; I391-M394 PolarHBondContact O-N 2.94Å; I391-S397 VanDerWaalsContact CG2-O 3.27Å; I391-S397 WeakPolarHBondContact CG2-O 3.21Å; I391-S397 WeakPolarHBondContact O-CB 3.42Å; I391-W400 HydrophobicContact CG1-CB 4.4Å; I391-W400 HydrophobicContact CG2-CB 4Å; I391-Y404 HydrophobicContact CD1-CD1 4.07Å; I391-Y404 HydrophobicContact CD1-CG 3.99Å |
| 392 | K | 93.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 18% | 0.178 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -25.4 | 179.5 | 69.3 | 168.7 | -165.4 | -164.3 | 0 | 113 | T154 S388 E389 A390 M394 | T154-K392 HydrophobicContact CG2-CD 4.47Å; S388-K392 PolarHBondContact O-N 3.45Å; E389-K392 WeakPolarHBondContact O-CG 3.13Å; E389-K392 WeakPolarHBondContact OE1-CE 3.39Å; E389-K392 IonicContact OE1-NZ 3.51Å; E389-K392 PolarHBondContact OE1-NZ 2.82Å; E389-K392 VanDerWaalsContact OE2-CE 3.29Å; E389-K392 WeakPolarHBondContact OE2-CE 3.28Å; E389-K392 IonicContact OE2-NZ 3.66Å; E389-K392 PolarHBondContact OE2-NZ 3.08Å; A390-K392 PolarHBondContact O-N 2.94Å; K392-M394 VanDerWaalsContact C-N 3.35Å |
| 393 | N | 92 | Very high | 93.7 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.2 | 178.8 | -64.4 | -27.1 | 0 | 0 | 0 | 112.8 | F309 I313 E389 A390 I391 | F309-N393 HydrophobicContact CE1-CB 4.08Å; F309-N393 HydrophobicContact CZ-CB 4.14Å; I313-N393 HydrophobicContact CD1-CB 4.09Å; E389-N393 PolarHBondContact O-ND2 3.24Å; A390-N393 PolarHBondContact O-N 2.99Å; I391-N393 PolarHBondContact O-N 3.37Å |
| 394 | M | 92.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -89.4 | 145.4 | 175.4 | -58.9 | -174.9 | -163.1 | 0 | 0 | 111 | L226 I306 F309 A390 I391 K392 S397 W400 | L226-M394 HydrophobicContact CD1-CE 3.57Å; L226-M394 HydrophobicContact CD1-CG 4.49Å; L226-M394 HydrophobicContact CD1-SD 4.08Å; L226-M394 HydrophobicContact CD2-CG 4.47Å; I306-M394 HydrophobicContact CG1-CE 4.46Å; I306-M394 HydrophobicContact CG2-CE 4.12Å; F309-M394 HydrophobicContact CD1-CE 4.48Å; F309-M394 HydrophobicContact CE1-CE 4.45Å; F309-M394 HydrophobicContact CE1-CG 4.22Å; A390-M394 HydrophobicContact CB-CE 4.23Å; A390-M394 WeakPolarHBondContact O-CG 3.36Å; I391-M394 WeakPolarHBondContact O-CB 3.28Å; I391-M394 PolarHBondContact O-N 2.94Å; K392-M394 VanDerWaalsContact C-N 3.35Å; M394-S397 PolarHBondContact O-N 3.01Å; M394-W400 HydrophobicContact SD-CG 4.34Å |
| 395 | P | 91.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 54% | 0.539 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 141.7 | 168.4 | 27.9 | -35.6 | 0 | 0 | 0 | 110.3 | W400 | P395-W400 VanDerWaalsContact O-CD1 3.29Å; P395-W400 PolarHBondContact O-NE1 3.44Å |
| 396 | L | 93.8 | Very high | 94.6 | Very high | 129 Ų | 129 | 33.3 Ų | 33.3 | 68% | 0.675 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 46.7 | -174.4 | -56.1 | 173.1 | 0 | 0 | 0 | 112.5 | Q398 L399 | L396-Q398 PolarHBondContact O-N 3.27Å; L396-L399 PolarHBondContact O-N 2.92Å |
| 397 | S | 95.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 33 Ų | 33 | 12% | 0.119 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.3 | -30.4 | -174.3 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | I391 M394 W400 S401 | I391-S397 VanDerWaalsContact CG2-O 3.27Å; I391-S397 WeakPolarHBondContact CG2-O 3.21Å; I391-S397 WeakPolarHBondContact O-CB 3.42Å; M394-S397 PolarHBondContact O-N 3.01Å; S397-W400 PolarHBondContact O-N 3.16Å; S397-S401 WeakPolarHBondContact O-CB 3.24Å; S397-S401 PolarHBondContact O-N 2.79Å |
| 398 | Q | 95.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.9 | -61.9 | 75 | 11.9 | 0 | 0 | 112.5 | Q127 S128 L130 L396 W400 S401 V402 | Q127-Q398 WeakPolarHBondContact O-CG 3.15Å; S128-Q398 PolarHBondContact O-NE2 3.36Å; L130-Q398 HydrophobicContact CD2-CG 4.26Å; L396-Q398 PolarHBondContact O-N 3.27Å; Q398-W400 PolarHBondContact O-N 2.93Å; Q398-S401 PolarHBondContact O-N 3.44Å; Q398-V402 WeakPolarHBondContact O-CG2 3.05Å; Q398-V402 PolarHBondContact O-N 2.87Å |
| 399 | L | 96.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 33 Ų | 33 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -47.5 | -179.3 | 174.9 | 64.1 | 0 | 0 | 0 | 110.4 | L396 V402 L403 | L396-L399 PolarHBondContact O-N 2.92Å; L399-V402 PolarHBondContact O-N 3.3Å; L399-L403 HydrophobicContact CD1-CD1 4.27Å; L399-L403 HydrophobicContact CD1-CG 4.46Å; L399-L403 HydrophobicContact CG-CD1 4.24Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 3.49Å |
| 400 | W | 96.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 32.4 Ų | 32.4 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.8 | -58.6 | 112.6 | 0 | 0 | 0 | 110.3 | I218 Y219 R222 I391 M394 P395 S397 Q398 V402 L403 Y404 | I218-W400 HydrophobicContact CG2-CH2 4.42Å; I218-W400 HydrophobicContact CG2-CZ3 3.81Å; Y219-W400 HydrophobicContact CE1-CE3 4.23Å; Y219-W400 HydrophobicContact CE2-CE3 4.36Å; Y219-W400 WeakPolarHBondContact OH-CA 3.26Å; Y219-W400 WeakPolarHBondContact OH-CB 2.99Å; Y219-W400 PolarHBondContact OH-O 2.79Å; R222-W400 HydrophobicContact CB-CH2 3.55Å; R222-W400 HydrophobicContact CB-CZ2 4.29Å; R222-W400 HydrophobicContact CB-CZ3 3.66Å; R222-W400 HydrophobicContact CG-CD2 4.45Å; R222-W400 HydrophobicContact CG-CE3 4.23Å; R222-W400 HydrophobicContact CG-CH2 3.43Å; R222-W400 VanDerWaalsContact CG-CH2 3.43Å; R222-W400 HydrophobicContact CG-CZ2 3.66Å; R222-W400 HydrophobicContact CG-CZ3 3.71Å; I391-W400 HydrophobicContact CG1-CB 4.4Å; I391-W400 HydrophobicContact CG2-CB 4Å; M394-W400 HydrophobicContact SD-CG 4.34Å; P395-W400 VanDerWaalsContact O-CD1 3.29Å; P395-W400 PolarHBondContact O-NE1 3.44Å; S397-W400 PolarHBondContact O-N 3.16Å; Q398-W400 PolarHBondContact O-N 2.93Å; W400-V402 PolarHBondContact O-N 3.49Å; W400-L403 PolarHBondContact O-N 3.22Å; W400-Y404 WeakPolarHBondContact O-CB 3.43Å; W400-Y404 PolarHBondContact O-N 3.03Å |
| 401 | S | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.2 | -49 | 177.6 | -168 | 0 | 0 | 0 | 0 | 113 | S125 W132 S397 Q398 L403 Y404 F405 | S125-S401 WeakPolarHBondContact CB-OG 3.32Å; S125-S401 PolarHBondContact OG-OG 3.2Å; W132-S401 VanDerWaalsContact CZ2-OG 3.24Å; W132-S401 WeakPolarHBondContact CZ2-OG 3.34Å; S397-S401 WeakPolarHBondContact O-CB 3.24Å; S397-S401 PolarHBondContact O-N 2.79Å; Q398-S401 PolarHBondContact O-N 3.44Å; S401-L403 PolarHBondContact O-N 3.05Å; S401-Y404 PolarHBondContact O-N 2.93Å; S401-F405 VanDerWaalsContact O-CD2 3.22Å; S401-F405 WeakPolarHBondContact O-CD2 3.28Å; S401-F405 PolarHBondContact O-N 3.36Å; S401-F405 WeakPolarHBondContact OG-CD2 3.46Å; S401-F405 WeakPolarHBondContact OG-CE2 3.32Å |
| 402 | V | 97.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | L122 F126 Q398 L399 W400 Y404 F406 | L122-V402 HydrophobicContact CD1-CB 4.48Å; L122-V402 HydrophobicContact CD1-CG1 4.1Å; F126-V402 HydrophobicContact CD1-CG2 4.24Å; F126-V402 HydrophobicContact CE1-CG1 4.3Å; F126-V402 HydrophobicContact CE1-CG2 3.9Å; F126-V402 HydrophobicContact CE2-CG2 4.47Å; F126-V402 HydrophobicContact CZ-CG1 4.09Å; F126-V402 HydrophobicContact CZ-CG2 4.03Å; Q398-V402 WeakPolarHBondContact O-CG2 3.05Å; Q398-V402 PolarHBondContact O-N 2.87Å; L399-V402 PolarHBondContact O-N 3.3Å; W400-V402 PolarHBondContact O-N 3.49Å; V402-Y404 PolarHBondContact O-N 3.04Å; V402-F406 WeakPolarHBondContact O-CB 3.33Å; V402-F406 PolarHBondContact O-N 2.91Å |
| 403 | L | 97.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 30.7 Ų | 30.7 | 19% | 0.188 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 178.8 | -72.6 | 174 | 0 | 0 | 0 | 111.7 | V215 I218 Y219 L399 W400 S401 M407 | V215-L403 HydrophobicContact CG1-CB 4.18Å; V215-L403 HydrophobicContact CG2-CD2 4.46Å; I218-L403 HydrophobicContact CG2-CD1 4.43Å; Y219-L403 HydrophobicContact CE2-CB 4.19Å; L399-L403 HydrophobicContact CD1-CD1 4.27Å; L399-L403 HydrophobicContact CD1-CG 4.46Å; L399-L403 HydrophobicContact CG-CD1 4.24Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 3.49Å; W400-L403 PolarHBondContact O-N 3.22Å; S401-L403 PolarHBondContact O-N 3.05Å; L403-M407 VanDerWaalsContact O-CB 3.28Å; L403-M407 WeakPolarHBondContact O-CB 3.35Å; L403-M407 PolarHBondContact O-N 3.49Å |
| 404 | Y | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -53.1 | -178.7 | 179.5 | -106.6 | 0 | 0 | 0 | 112.9 | Y219 A383 Y387 I391 W400 S401 V402 F406 M407 L408 | Y219-Y404 WeakPolarHBondContact OH-CB 3.49Å; A383-Y404 WeakPolarHBondContact CA-OH 3.39Å; A383-Y404 WeakPolarHBondContact O-CE1 3.32Å; A383-Y404 PolarHBondContact O-OH 3.46Å; Y387-Y404 AromaticContact CD1-CD2 3.78Å; Y387-Y404 HydrophobicContact CD1-CD2 3.78Å; Y387-Y404 HydrophobicContact CD1-CE1 4.29Å; Y387-Y404 AromaticContact CD1-CE2 3.25Å; Y387-Y404 HydrophobicContact CD1-CE2 3.25Å; Y387-Y404 HydrophobicContact CD1-CG 4.48Å; Y387-Y404 AromaticContact CD1-CZ 3.55Å; Y387-Y404 HydrophobicContact CD2-CE2 4.07Å; Y387-Y404 AromaticContact CD2-CZ 3.77Å; Y387-Y404 WeakPolarHBondContact CD2-OH 3.48Å; Y387-Y404 AromaticContact CE1-CD2 4Å; Y387-Y404 HydrophobicContact CE1-CD2 4Å; Y387-Y404 AromaticContact CE1-CE2 3.42Å; Y387-Y404 HydrophobicContact CE1-CE2 3.42Å; Y387-Y404 VanDerWaalsContact CE1-CE2 3.42Å; Y387-Y404 HydrophobicContact CE2-CE2 4.23Å; Y387-Y404 HydrophobicContact CG-CD2 4.43Å; Y387-Y404 HydrophobicContact CG-CE1 4.04Å; Y387-Y404 AromaticContact CG-CE2 3.59Å; Y387-Y404 HydrophobicContact CG-CE2 3.59Å; Y387-Y404 AromaticContact CG-CZ 3.35Å; Y387-Y404 AromaticContact CZ-CE2 3.93Å; I391-Y404 HydrophobicContact CD1-CD1 4.07Å; I391-Y404 HydrophobicContact CD1-CG 3.99Å; W400-Y404 WeakPolarHBondContact O-CB 3.43Å; W400-Y404 PolarHBondContact O-N 3.03Å; S401-Y404 PolarHBondContact O-N 2.93Å; V402-Y404 PolarHBondContact O-N 3.04Å; Y404-F406 VanDerWaalsContact C-N 3.3Å; Y404-F406 PolarHBondContact O-N 3.43Å; Y404-M407 HydrophobicContact CD2-CE 3.79Å; Y404-M407 HydrophobicContact CE2-CE 3.96Å; Y404-M407 WeakPolarHBondContact O-CB 3.14Å; Y404-M407 PolarHBondContact O-N 2.72Å; Y404-L408 HydrophobicContact CD1-CD1 3.92Å; Y404-L408 HydrophobicContact CD1-CG 4.45Å; Y404-L408 HydrophobicContact CE1-CD1 3.24Å; Y404-L408 HydrophobicContact CE1-CG 4.01Å; Y404-L408 HydrophobicContact CE2-CD1 4.28Å; Y404-L408 HydrophobicContact CE2-CD2 4.5Å; Y404-L408 HydrophobicContact CE2-CG 4.22Å; Y404-L408 VanDerWaalsContact CZ-CD1 3.46Å; Y404-L408 PolarHBondContact O-N 2.88Å |
| 405 | F | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.5 | -28.8 | -177.9 | -70.9 | -63.7 | 0 | 0 | 0 | 112.4 | Y121 L122 W132 F384 S401 L408 L409 | Y121-F405 HydrophobicContact CD1-CD2 4.45Å; Y121-F405 AromaticContact CD1-CE1 3.76Å; Y121-F405 HydrophobicContact CD1-CE1 3.76Å; Y121-F405 AromaticContact CD1-CE2 3.6Å; Y121-F405 HydrophobicContact CD1-CE2 3.6Å; Y121-F405 AromaticContact CD1-CZ 3.19Å; Y121-F405 HydrophobicContact CD1-CZ 3.19Å; Y121-F405 AromaticContact CE1-CZ 3.95Å; Y121-F405 HydrophobicContact CE1-CZ 3.95Å; Y121-F405 HydrophobicContact CG-CD1 4.24Å; Y121-F405 AromaticContact CG-CE1 3.73Å; Y121-F405 HydrophobicContact CG-CE1 3.73Å; Y121-F405 HydrophobicContact CG-CE2 4.08Å; Y121-F405 AromaticContact CG-CZ 3.65Å; Y121-F405 HydrophobicContact CG-CZ 3.65Å; L122-F405 HydrophobicContact CB-CB 4.12Å; L122-F405 HydrophobicContact CD1-CB 4.5Å; W132-F405 HydrophobicContact CH2-CE2 4.03Å; W132-F405 AromaticContact CZ2-CE2 3.95Å; W132-F405 HydrophobicContact CZ2-CE2 3.95Å; F384-F405 HydrophobicContact CD1-CD1 4.5Å; F384-F405 AromaticContact CD1-CE1 3.71Å; F384-F405 HydrophobicContact CD1-CE1 3.71Å; F384-F405 HydrophobicContact CE1-CD1 4.26Å; F384-F405 AromaticContact CE1-CE1 3.9Å; F384-F405 HydrophobicContact CE1-CE1 3.9Å; S401-F405 VanDerWaalsContact O-CD2 3.22Å; S401-F405 WeakPolarHBondContact O-CD2 3.28Å; S401-F405 PolarHBondContact O-N 3.36Å; S401-F405 WeakPolarHBondContact OG-CD2 3.46Å; S401-F405 WeakPolarHBondContact OG-CE2 3.32Å; F405-L408 HydrophobicContact CD1-CD1 3.96Å; F405-L408 HydrophobicContact CE1-CD1 4.19Å; F405-L409 VanDerWaalsContact O-CB 3.27Å; F405-L409 WeakPolarHBondContact O-CB 3.47Å; F405-L409 PolarHBondContact O-N 2.93Å |
| 406 | F | 97.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 23.7 Ų | 23.7 | 28% | 0.281 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -71.4 | -37.8 | 171.9 | -169 | -137.8 | 0 | 0 | 0 | 112.1 | L122 F207 F211 V402 Y404 L409 M410 | L122-F406 HydrophobicContact CD1-CB 4.27Å; L122-F406 HydrophobicContact CD2-CD2 4.22Å; F207-F406 HydrophobicContact CE1-CE1 4.28Å; F207-F406 AromaticContact CE1-CZ 3.92Å; F207-F406 HydrophobicContact CE1-CZ 3.92Å; F207-F406 HydrophobicContact CZ-CE1 4.01Å; F207-F406 HydrophobicContact CZ-CZ 4.06Å; F211-F406 HydrophobicContact CD1-CD1 4.27Å; F211-F406 HydrophobicContact CD1-CE1 4.36Å; F211-F406 HydrophobicContact CE1-CB 4.34Å; F211-F406 AromaticContact CE1-CD1 3.32Å; F211-F406 HydrophobicContact CE1-CD1 3.32Å; F211-F406 AromaticContact CE1-CE1 3.77Å; F211-F406 HydrophobicContact CE1-CE1 3.77Å; F211-F406 AromaticContact CE1-CG 3.98Å; F211-F406 HydrophobicContact CE1-CG 3.98Å; F211-F406 HydrophobicContact CE2-CD1 4.21Å; F211-F406 HydrophobicContact CE2-CE1 4.2Å; F211-F406 AromaticContact CZ-CD1 3.3Å; F211-F406 HydrophobicContact CZ-CD1 3.3Å; F211-F406 AromaticContact CZ-CE1 3.7Å; F211-F406 HydrophobicContact CZ-CE1 3.7Å; F211-F406 HydrophobicContact CZ-CG 4.31Å; V402-F406 WeakPolarHBondContact O-CB 3.33Å; V402-F406 PolarHBondContact O-N 2.91Å; Y404-F406 VanDerWaalsContact C-N 3.3Å; Y404-F406 PolarHBondContact O-N 3.43Å; F406-L409 HydrophobicContact CD2-CD2 4.25Å; F406-L409 PolarHBondContact O-N 3.11Å; F406-M410 HydrophobicContact CD2-CE 4.09Å; F406-M410 HydrophobicContact CE2-CE 3.53Å; F406-M410 HydrophobicContact CE2-CG 4.45Å; F406-M410 HydrophobicContact CE2-SD 4.38Å; F406-M410 HydrophobicContact CZ-CE 4.21Å; F406-M410 WeakPolarHBondContact O-CG 3.31Å; F406-M410 PolarHBondContact O-N 3.13Å |
| 407 | M | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -50.6 | 170.6 | 172.2 | -169.6 | 77.8 | 0 | 0 | 111.7 | V37 P212 V215 L216 L403 Y404 L409 M410 L411 | V37-M407 HydrophobicContact CG1-CE 4.34Å; P212-M407 HydrophobicContact CB-CG 3.99Å; V215-M407 HydrophobicContact CB-CB 3.92Å; V215-M407 HydrophobicContact CB-CG 4.1Å; V215-M407 HydrophobicContact CB-SD 3.85Å; V215-M407 HydrophobicContact CG1-CB 3.74Å; V215-M407 HydrophobicContact CG1-CG 4.14Å; V215-M407 HydrophobicContact CG1-SD 3.63Å; V215-M407 HydrophobicContact CG2-CB 4.16Å; L216-M407 HydrophobicContact CD2-CE 4.22Å; L216-M407 HydrophobicContact CD2-SD 3.73Å; L216-M407 HydrophobicContact CG-SD 3.74Å; L403-M407 VanDerWaalsContact O-CB 3.28Å; L403-M407 WeakPolarHBondContact O-CB 3.35Å; L403-M407 PolarHBondContact O-N 3.49Å; Y404-M407 HydrophobicContact CD2-CE 3.79Å; Y404-M407 HydrophobicContact CE2-CE 3.96Å; Y404-M407 WeakPolarHBondContact O-CB 3.14Å; Y404-M407 PolarHBondContact O-N 2.72Å; M407-L409 PolarHBondContact O-N 3.32Å; M407-M410 PolarHBondContact O-N 3.35Å; M407-M410 VanDerWaalsContact O-N 3.13Å; M407-L411 HydrophobicContact CG-CD1 4.09Å; M407-L411 WeakPolarHBondContact O-CG 3.48Å; M407-L411 PolarHBondContact O-N 2.92Å |
| 408 | L | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.7 | -43.2 | 177.1 | -78 | -178.6 | 0 | 0 | 0 | 111.2 | L34 V37 A383 Y404 F405 L411 G412 | L34-L408 HydrophobicContact CD2-CB 4.29Å; L34-L408 HydrophobicContact CD2-CD2 3.79Å; V37-L408 HydrophobicContact CG1-CD2 4.22Å; A383-L408 HydrophobicContact CB-CD1 4.31Å; Y404-L408 HydrophobicContact CD1-CD1 3.92Å; Y404-L408 HydrophobicContact CD1-CG 4.45Å; Y404-L408 HydrophobicContact CE1-CD1 3.24Å; Y404-L408 HydrophobicContact CE1-CG 4.01Å; Y404-L408 HydrophobicContact CE2-CD1 4.28Å; Y404-L408 HydrophobicContact CE2-CD2 4.5Å; Y404-L408 HydrophobicContact CE2-CG 4.22Å; Y404-L408 VanDerWaalsContact CZ-CD1 3.46Å; Y404-L408 PolarHBondContact O-N 2.88Å; F405-L408 HydrophobicContact CD1-CD1 3.96Å; F405-L408 HydrophobicContact CE1-CD1 4.19Å; L408-L411 PolarHBondContact O-N 3.35Å; L408-G412 PolarHBondContact O-N 2.84Å |
| 409 | L | 95.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.8 | -178.2 | 69.1 | 0 | 0 | 0 | 112 | N115 F119 L122 F405 F406 M407 G412 M413 | N115-L409 HydrophobicContact CB-CD1 4.1Å; F119-L409 HydrophobicContact CD1-CD1 4.41Å; F119-L409 HydrophobicContact CD1-CD2 3.97Å; F119-L409 HydrophobicContact CD2-CD1 3.86Å; F119-L409 HydrophobicContact CE1-CD1 4.07Å; F119-L409 HydrophobicContact CE1-CD2 3.34Å; F119-L409 HydrophobicContact CE1-CG 4.34Å; F119-L409 HydrophobicContact CE2-CD1 3.46Å; F119-L409 VanDerWaalsContact CE2-CD1 3.46Å; F119-L409 HydrophobicContact CE2-CD2 4.27Å; F119-L409 HydrophobicContact CE2-CG 4.46Å; F119-L409 HydrophobicContact CG-CD1 4.29Å; F119-L409 HydrophobicContact CZ-CD1 3.55Å; F119-L409 HydrophobicContact CZ-CD2 3.49Å; F119-L409 VanDerWaalsContact CZ-CD2 3.49Å; F119-L409 HydrophobicContact CZ-CG 4.08Å; L122-L409 HydrophobicContact CD2-CD2 4.29Å; F405-L409 VanDerWaalsContact O-CB 3.27Å; F405-L409 WeakPolarHBondContact O-CB 3.47Å; F405-L409 PolarHBondContact O-N 2.93Å; F406-L409 HydrophobicContact CD2-CD2 4.25Å; F406-L409 PolarHBondContact O-N 3.11Å; M407-L409 PolarHBondContact O-N 3.32Å; L409-G412 PolarHBondContact O-N 3.28Å; L409-M413 HydrophobicContact CD1-CE 4.04Å; L409-M413 HydrophobicContact CD1-CG 4.22Å; L409-M413 HydrophobicContact CG-CG 4.3Å; L409-M413 VanDerWaalsContact O-CB 3.26Å; L409-M413 WeakPolarHBondContact O-CB 3.35Å; L409-M413 WeakPolarHBondContact O-CG 3.45Å; L409-M413 PolarHBondContact O-N 3.5Å |
| 410 | M | 95.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 10 Ų | 10 | 6% | 0.064 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 178.2 | -70.8 | -56.3 | 103.7 | 0 | 0 | 112.4 | F207 T208 F211 P212 F406 M407 G414 | F207-M410 HydrophobicContact CD1-SD 3.72Å; F207-M410 HydrophobicContact CE1-CG 4.05Å; F207-M410 HydrophobicContact CE1-SD 3.55Å; F207-M410 VanDerWaalsContact CE1-SD 3.55Å; T208-M410 HydrophobicContact CG2-SD 4Å; F211-M410 HydrophobicContact CD1-CB 4.32Å; F211-M410 HydrophobicContact CD1-CG 3.76Å; F211-M410 HydrophobicContact CE1-CG 4.43Å; P212-M410 HydrophobicContact CG-CB 4.04Å; F406-M410 HydrophobicContact CD2-CE 4.09Å; F406-M410 HydrophobicContact CE2-CE 3.53Å; F406-M410 HydrophobicContact CE2-CG 4.45Å; F406-M410 HydrophobicContact CE2-SD 4.38Å; F406-M410 HydrophobicContact CZ-CE 4.21Å; F406-M410 WeakPolarHBondContact O-CG 3.31Å; F406-M410 PolarHBondContact O-N 3.13Å; M407-M410 PolarHBondContact O-N 3.35Å; M407-M410 VanDerWaalsContact O-N 3.13Å; M410-G414 PolarHBondContact O-N 3.11Å |
| 411 | L | 95.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 8.8 Ų | 8.8 | 3% | 0.026 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 174.8 | -72.1 | 171.2 | 0 | 0 | 0 | 111.6 | V32 V37 P212 M407 L408 G414 S415 | V32-L411 HydrophobicContact CG1-CD2 3.92Å; V37-L411 HydrophobicContact CG2-CD1 3.5Å; V37-L411 VanDerWaalsContact CG2-CD1 3.5Å; P212-L411 HydrophobicContact CB-CD1 4.34Å; P212-L411 HydrophobicContact CB-CD2 3.58Å; P212-L411 HydrophobicContact CB-CG 3.8Å; P212-L411 HydrophobicContact CG-CD2 3.69Å; P212-L411 HydrophobicContact CG-CG 3.81Å; M407-L411 HydrophobicContact CG-CD1 4.09Å; M407-L411 WeakPolarHBondContact O-CG 3.48Å; M407-L411 PolarHBondContact O-N 2.92Å; L408-L411 PolarHBondContact O-N 3.35Å; L411-G414 PolarHBondContact O-N 3.33Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 2.82Å |
| 412 | G | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N115 L408 L409 S415 M416 | N115-G412 VanDerWaalsContact OD1-CA 3.28Å; N115-G412 WeakPolarHBondContact OD1-CA 3.42Å; L408-G412 PolarHBondContact O-N 2.84Å; L409-G412 PolarHBondContact O-N 3.28Å; G412-S415 PolarHBondContact O-N 2.68Å; G412-M416 WeakPolarHBondContact O-CG 3.38Å; G412-M416 PolarHBondContact O-N 3.49Å |
| 413 | M | 94.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 173.9 | -73.9 | -69.1 | -167.8 | 0 | 0 | 112.2 | F119 A186 I189 F193 L409 M416 L417 | F119-M413 HydrophobicContact CE2-CE 3.63Å; F119-M413 HydrophobicContact CZ-CE 3.77Å; A186-M413 HydrophobicContact CB-CE 4.46Å; I189-M413 HydrophobicContact CB-CE 3.68Å; I189-M413 HydrophobicContact CD1-CE 4.38Å; I189-M413 HydrophobicContact CG2-CE 3.47Å; I189-M413 VanDerWaalsContact CG2-CE 3.47Å; I189-M413 HydrophobicContact CG2-SD 4.06Å; F193-M413 HydrophobicContact CE2-CB 4.05Å; F193-M413 HydrophobicContact CE2-CG 4.25Å; F193-M413 HydrophobicContact CE2-SD 4.34Å; L409-M413 HydrophobicContact CD1-CE 4.04Å; L409-M413 HydrophobicContact CD1-CG 4.22Å; L409-M413 HydrophobicContact CG-CG 4.3Å; L409-M413 VanDerWaalsContact O-CB 3.26Å; L409-M413 WeakPolarHBondContact O-CB 3.35Å; L409-M413 WeakPolarHBondContact O-CG 3.45Å; L409-M413 PolarHBondContact O-N 3.5Å; M413-M416 PolarHBondContact O-N 2.87Å; M413-L417 WeakPolarHBondContact O-CG 3.18Å; M413-L417 PolarHBondContact O-N 3.4Å |
| 414 | G | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S29 M410 L411 M416 L417 | S29-G414 CarbonylContact O-C 3.58Å; S29-G414 WeakPolarHBondContact O-CA 3.28Å; S29-G414 VanDerWaalsContact OG-CA 3.24Å; S29-G414 WeakPolarHBondContact OG-CA 3.19Å; M410-G414 PolarHBondContact O-N 3.11Å; L411-G414 PolarHBondContact O-N 3.33Å; G414-M416 VanDerWaalsContact C-N 3.31Å; G414-M416 PolarHBondContact O-N 3.49Å; G414-L417 WeakPolarHBondContact O-CB 3.41Å; G414-L417 PolarHBondContact O-N 3.46Å |
| 415 | S | 94.4 | Very high | 95 | Very high | 8 Ų | 8 | 6.6 Ų | 6.6 | 6% | 0.056 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | S29 Y30 L411 G412 L417 G418 N419 | S29-S415 PolarHBondContact O-N 3.44Å; Y30-S415 PolarHBondContact O-OG 2.86Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 2.82Å; G412-S415 PolarHBondContact O-N 2.68Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.38Å; S415-G418 PolarHBondContact O-N 3.11Å; S415-N419 PolarHBondContact O-N 3.3Å; S415-N419 VanDerWaalsContact O-N 3.15Å; S415-N419 PolarHBondContact O-ND2 2.59Å |
| 416 | M | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.2 | -30.7 | 177.2 | -72.3 | -59.1 | -63.4 | 0 | 0 | 113.2 | C108 N112 W187 T190 G412 M413 G414 G418 N419 I420 | C108-M416 HydrophobicContact CB-CE 4.2Å; N112-M416 HydrophobicContact CB-CE 3.92Å; N112-M416 HydrophobicContact CB-SD 4.23Å; W187-M416 HydrophobicContact CH2-CE 3.71Å; W187-M416 HydrophobicContact CZ2-CE 4.2Å; W187-M416 HydrophobicContact CZ3-CE 4.18Å; T190-M416 HydrophobicContact CG2-CB 4.09Å; G412-M416 WeakPolarHBondContact O-CG 3.38Å; G412-M416 PolarHBondContact O-N 3.49Å; M413-M416 PolarHBondContact O-N 2.87Å; G414-M416 VanDerWaalsContact C-N 3.31Å; G414-M416 PolarHBondContact O-N 3.49Å; M416-G418 VanDerWaalsContact C-N 3.34Å; M416-G418 PolarHBondContact O-N 3.36Å; M416-N419 PolarHBondContact O-N 2.91Å; M416-I420 HydrophobicContact CE-CD1 4.18Å; M416-I420 HydrophobicContact CE-CG1 4.37Å; M416-I420 WeakPolarHBondContact O-CG1 3.36Å; M416-I420 PolarHBondContact O-N 3.08Å |
| 417 | L | 93.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 176 | -57.9 | 174.6 | 0 | 0 | 0 | 111.6 | F193 I194 T201 V204 V205 M413 G414 S415 T421 | F193-L417 HydrophobicContact CB-CD2 3.53Å; F193-L417 HydrophobicContact CD2-CD2 4.19Å; F193-L417 HydrophobicContact CG-CD2 4.37Å; I194-L417 HydrophobicContact CG2-CD2 3.57Å; T201-L417 HydrophobicContact CG2-CB 4.1Å; T201-L417 HydrophobicContact CG2-CD1 4.08Å; T201-L417 HydrophobicContact CG2-CG 4.45Å; V204-L417 HydrophobicContact CG1-CD1 4.33Å; V205-L417 HydrophobicContact CG1-CD1 3.8Å; M413-L417 WeakPolarHBondContact O-CG 3.18Å; M413-L417 PolarHBondContact O-N 3.4Å; G414-L417 WeakPolarHBondContact O-CB 3.41Å; G414-L417 PolarHBondContact O-N 3.46Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.38Å; L417-T421 WeakPolarHBondContact O-CB 3.22Å; L417-T421 PolarHBondContact O-N 3.39Å; L417-T421 PolarHBondContact O-OG1 3.4Å |
| 418 | G | 93 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S267 F271 S415 M416 I420 T421 A422 | S267-G418 PolarHBondContact OG-O 3.01Å; F271-G418 VanDerWaalsContact CZ-CA 3.44Å; S415-G418 PolarHBondContact O-N 3.11Å; M416-G418 VanDerWaalsContact C-N 3.34Å; M416-G418 PolarHBondContact O-N 3.36Å; G418-I420 VanDerWaalsContact C-N 3.34Å; G418-I420 PolarHBondContact O-N 3.36Å; G418-T421 PolarHBondContact O-N 3.33Å; G418-T421 VanDerWaalsContact O-N 3.1Å; G418-A422 PolarHBondContact O-N 3.45Å |
| 419 | N | 93.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | -178.1 | -68 | -25.6 | 0 | 0 | 0 | 112.4 | Y30 C108 S415 M416 A422 | Y30-N419 WeakPolarHBondContact CE2-OD1 3.43Å; C108-N419 WeakPolarHBondContact SG-CB 3.44Å; S415-N419 PolarHBondContact O-N 3.3Å; S415-N419 VanDerWaalsContact O-N 3.15Å; S415-N419 PolarHBondContact O-ND2 2.59Å; M416-N419 PolarHBondContact O-N 2.91Å; N419-A422 WeakPolarHBondContact O-CB 3.47Å; N419-A422 PolarHBondContact O-N 3.45Å |
| 420 | I | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -73.4 | -34.2 | 177.4 | -62.6 | 169.1 | 0 | 0 | 0 | 111.3 | W187 T190 I194 M416 G418 A422 I423 T424 V445 | W187-I420 HydrophobicContact CH2-CD1 4.42Å; W187-I420 HydrophobicContact CZ3-CD1 3.74Å; W187-I420 HydrophobicContact CZ3-CG1 4.46Å; T190-I420 HydrophobicContact CG2-CD1 3.17Å; I194-I420 HydrophobicContact CD1-CB 4.05Å; I194-I420 HydrophobicContact CD1-CD1 3.97Å; I194-I420 HydrophobicContact CD1-CG2 3.32Å; M416-I420 HydrophobicContact CE-CD1 4.18Å; M416-I420 HydrophobicContact CE-CG1 4.37Å; M416-I420 WeakPolarHBondContact O-CG1 3.36Å; M416-I420 PolarHBondContact O-N 3.08Å; G418-I420 VanDerWaalsContact C-N 3.34Å; G418-I420 PolarHBondContact O-N 3.36Å; I420-A422 PolarHBondContact O-N 3.49Å; I420-I423 PolarHBondContact O-N 3.01Å; I420-I423 VanDerWaalsContact O-N 3.12Å; I420-T424 HydrophobicContact CG2-CG2 3.66Å; I420-T424 WeakPolarHBondContact O-CB 3.29Å; I420-T424 WeakPolarHBondContact O-CG2 3.47Å; I420-T424 PolarHBondContact O-N 3.5Å; I420-T424 PolarHBondContact O-OG1 2.86Å; I420-V445 HydrophobicContact CG2-CG1 4.39Å |
| 421 | T | 94.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | A270 F271 Y274 L417 G418 I423 T424 T425 | A270-T421 HydrophobicContact CB-CG2 4.08Å; F271-T421 HydrophobicContact CD1-CG2 3.77Å; F271-T421 HydrophobicContact CE1-CG2 3.7Å; Y274-T421 HydrophobicContact CE2-CG2 4.48Å; L417-T421 WeakPolarHBondContact O-CB 3.22Å; L417-T421 PolarHBondContact O-N 3.39Å; L417-T421 PolarHBondContact O-OG1 3.4Å; G418-T421 PolarHBondContact O-N 3.33Å; G418-T421 VanDerWaalsContact O-N 3.1Å; T421-I423 VanDerWaalsContact C-N 3.25Å; T421-I423 PolarHBondContact O-N 2.04Å; T421-T424 WeakPolarHBondContact CA-OG1 3.45Å; T421-T425 WeakPolarHBondContact CG2-OG1 3.43Å; T421-T425 WeakPolarHBondContact O-CB 3.42Å; T421-T425 PolarHBondContact O-N 2.63Å; T421-T425 PolarHBondContact O-OG1 3.16Å |
| 422 | A | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -28.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S267 G418 N419 I420 P426 | S267-A422 WeakPolarHBondContact OG-CB 3.29Å; G418-A422 PolarHBondContact O-N 3.45Å; N419-A422 WeakPolarHBondContact O-CB 3.47Å; N419-A422 PolarHBondContact O-N 3.45Å; I420-A422 PolarHBondContact O-N 3.49Å; A422-P426 WeakPolarHBondContact O-CD 3.34Å; A422-P426 WeakPolarHBondContact O-CG 3.49Å |
| 423 | I | 95.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -88.7 | -48.4 | 178.5 | -59.9 | 168.8 | 0 | 0 | 0 | 110.6 | V101 M105 C108 I420 T421 P426 L427 V445 | V101-I423 HydrophobicContact CG1-CG1 4.47Å; V101-I423 HydrophobicContact CG1-CG2 4.34Å; M105-I423 HydrophobicContact CB-CD1 4.13Å; C108-I423 HydrophobicContact CB-CD1 4.41Å; I420-I423 PolarHBondContact O-N 3.01Å; I420-I423 VanDerWaalsContact O-N 3.12Å; T421-I423 VanDerWaalsContact C-N 3.25Å; T421-I423 PolarHBondContact O-N 2.04Å; I423-P426 WeakPolarHBondContact O-CD 3.48Å; I423-L427 HydrophobicContact CG2-CD1 3.82Å; I423-L427 WeakPolarHBondContact O-CB 3.08Å; I423-L427 WeakPolarHBondContact O-CD1 3.37Å; I423-L427 WeakPolarHBondContact O-CG 3.45Å; I423-L427 PolarHBondContact O-N 3.03Å; I423-V445 HydrophobicContact CG2-CG1 3.99Å |
| 424 | T | 94.7 | Very high | 91 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | -173.3 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | I420 T421 L427 R428 N442 V445 | I420-T424 HydrophobicContact CG2-CG2 3.66Å; I420-T424 WeakPolarHBondContact O-CB 3.29Å; I420-T424 WeakPolarHBondContact O-CG2 3.47Å; I420-T424 PolarHBondContact O-N 3.5Å; I420-T424 PolarHBondContact O-OG1 2.86Å; T421-T424 WeakPolarHBondContact CA-OG1 3.45Å; T424-L427 PolarHBondContact O-N 3.18Å; T424-R428 WeakPolarHBondContact O-CB 3.49Å; T424-R428 PolarHBondContact O-N 3Å; T424-N442 VanDerWaalsContact CG2-OD1 3.25Å; T424-N442 WeakPolarHBondContact CG2-OD1 3.38Å; T424-V445 HydrophobicContact CG2-CB 4.18Å; T424-V445 HydrophobicContact CG2-CG1 4.27Å; T424-V445 HydrophobicContact CG2-CG2 4.02Å |
| 425 | T | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -50.9 | -178.1 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | A270 Y274 T421 L427 R428 D429 | A270-T425 HydrophobicContact CB-CG2 4.05Å; Y274-T425 HydrophobicContact CE2-CG2 4.09Å; Y274-T425 PolarHBondContact OH-OG1 3.48Å; T421-T425 WeakPolarHBondContact CG2-OG1 3.43Å; T421-T425 WeakPolarHBondContact O-CB 3.42Å; T421-T425 PolarHBondContact O-N 2.63Å; T421-T425 PolarHBondContact O-OG1 3.16Å; T425-L427 VanDerWaalsContact C-N 3.31Å; T425-L427 PolarHBondContact O-N 2.99Å; T425-R428 PolarHBondContact O-N 3.46Å; T425-D429 PolarHBondContact O-N 3.08Å |
| 426 | P | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 174.8 | -21.1 | 34.3 | 0 | 0 | 0 | 113 | S82 I83 V101 A422 I423 R428 D429 | S82-P426 VanDerWaalsContact OG-CG 3.29Å; S82-P426 WeakPolarHBondContact OG-CG 3.34Å; I83-P426 HydrophobicContact CB-CB 4.16Å; I83-P426 HydrophobicContact CD1-CB 3.87Å; I83-P426 HydrophobicContact CG1-CB 3.91Å; V101-P426 HydrophobicContact CG2-CB 4.14Å; V101-P426 HydrophobicContact CG2-CG 3.88Å; A422-P426 WeakPolarHBondContact O-CD 3.34Å; A422-P426 WeakPolarHBondContact O-CG 3.49Å; I423-P426 WeakPolarHBondContact O-CD 3.48Å; P426-R428 VanDerWaalsContact C-N 3.34Å; P426-R428 PolarHBondContact O-N 3.31Å; P426-D429 PolarHBondContact O-N 2.78Å |
| 427 | L | 92.3 | Very high | 90 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.4 | -76 | 176 | 0 | 0 | 0 | 111.9 | I423 T424 T425 D429 F430 L433 V445 | I423-L427 HydrophobicContact CG2-CD1 3.82Å; I423-L427 WeakPolarHBondContact O-CB 3.08Å; I423-L427 WeakPolarHBondContact O-CD1 3.37Å; I423-L427 WeakPolarHBondContact O-CG 3.45Å; I423-L427 PolarHBondContact O-N 3.03Å; T424-L427 PolarHBondContact O-N 3.18Å; T425-L427 VanDerWaalsContact C-N 3.31Å; T425-L427 PolarHBondContact O-N 2.99Å; L427-D429 PolarHBondContact O-N 3.13Å; L427-F430 HydrophobicContact CD2-CD2 4.41Å; L427-F430 HydrophobicContact CD2-CE2 4.41Å; L427-F430 PolarHBondContact O-N 3.46Å; L427-L433 HydrophobicContact CB-CD1 4.05Å; L427-L433 HydrophobicContact CD2-CD1 4.18Å; L427-L433 WeakPolarHBondContact O-CB 3.32Å; L427-L433 WeakPolarHBondContact O-CD1 3.44Å; L427-V445 HydrophobicContact CD1-CG2 3.95Å |
| 428 | R | 89.6 | Confident | 89.7 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -24.8 | 178.2 | -169.2 | 171.9 | 179.4 | -162 | -5.9 | 113.4 | D15 T424 T425 P426 F430 N438 L441 | D15-R428 IonicContact OD2-NH1 3.39Å; T424-R428 WeakPolarHBondContact O-CB 3.49Å; T424-R428 PolarHBondContact O-N 3Å; T425-R428 PolarHBondContact O-N 3.46Å; P426-R428 VanDerWaalsContact C-N 3.34Å; P426-R428 PolarHBondContact O-N 3.31Å; R428-F430 PolarHBondContact O-N 3.49Å; R428-N438 PolarHBondContact NE-OD1 2.92Å; R428-N438 PolarHBondContact NH1-ND2 2.7Å; R428-N438 PolarHBondContact NH1-OD1 3.36Å; R428-L441 HydrophobicContact CB-CD2 3.95Å; R428-L441 HydrophobicContact CG-CD2 4.46Å |
| 429 | D | 87.9 | Confident | 89.7 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.3 | 178.2 | -72.9 | -18.6 | 0 | 0 | 0 | 113.4 | R14 L80 G81 T425 P426 L427 | R14-D429 IonicContact CZ-OD1 3.28Å; R14-D429 IonicContact NH2-OD1 3.08Å; R14-D429 PolarHBondContact NH2-OD1 3.48Å; R14-D429 IonicContact NH2-OD2 3.99Å; R14-D429 PolarHBondContact NH2-OD2 2.96Å; L80-D429 WeakPolarHBondContact CA-OD2 3.39Å; G81-D429 PolarHBondContact N-OD2 2.95Å; T425-D429 PolarHBondContact O-N 3.08Å; P426-D429 PolarHBondContact O-N 2.78Å; L427-D429 PolarHBondContact O-N 3.13Å |
| 430 | F | 87.4 | Confident | 89.7 | Confident | 86 Ų | 86 | 55 Ų | 55 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.2 | 128.8 | 168.4 | -69.8 | -67.1 | 0 | 0 | 0 | 111.1 | I83 L427 R428 F432 L433 S434 | I83-F430 HydrophobicContact CD1-CE2 4.29Å; I83-F430 HydrophobicContact CD1-CZ 4.3Å; I83-F430 HydrophobicContact CG2-CZ 4.46Å; L427-F430 HydrophobicContact CD2-CD2 4.41Å; L427-F430 HydrophobicContact CD2-CE2 4.41Å; L427-F430 PolarHBondContact O-N 3.46Å; R428-F430 PolarHBondContact O-N 3.49Å; F430-F432 HydrophobicContact CB-CD1 3.78Å; F430-F432 HydrophobicContact CB-CE1 3.78Å; F430-F432 HydrophobicContact CG-CE1 4.21Å; F430-F432 PolarHBondContact O-N 3.43Å; F430-L433 PolarHBondContact O-N 3.32Å; F430-S434 PolarHBondContact O-N 3.45Å |
| 431 | K | 80.9 | Confident | 89.7 | Confident | 187 Ų | 187 | 55.3 Ų | 55.3 | 81% | 0.813 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -28.1 | -177.9 | -65.6 | -173.9 | 179 | -176.7 | 0 | 114.9 | S434 | K431-S434 PolarHBondContact O-OG 2.96Š|
| 432 | F | 83.6 | Confident | 89.7 | Confident | 152 Ų | 152 | 55.2 Ų | 55.2 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -27.6 | 179.2 | 83.9 | -88.6 | 0 | 0 | 0 | 112.6 | F430 | F430-F432 HydrophobicContact CB-CD1 3.78Å; F430-F432 HydrophobicContact CB-CE1 3.78Å; F430-F432 HydrophobicContact CG-CE1 4.21Å; F430-F432 PolarHBondContact O-N 3.43Å |
| 433 | L | 85.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -16.1 | 178.9 | -68.3 | 174.3 | 0 | 0 | 0 | 112.9 | L427 F430 H435 V436 L441 | L427-L433 HydrophobicContact CB-CD1 4.05Å; L427-L433 HydrophobicContact CD2-CD1 4.18Å; L427-L433 WeakPolarHBondContact O-CB 3.32Å; L427-L433 WeakPolarHBondContact O-CD1 3.44Å; F430-L433 PolarHBondContact O-N 3.32Å; L433-H435 PolarHBondContact O-N 3.08Å; L433-H435 VanDerWaalsContact O-N 3.11Å; L433-V436 HydrophobicContact CD2-CG2 4.33Å; L433-V436 WeakPolarHBondContact O-CB 3.48Å; L433-V436 PolarHBondContact O-N 3Å; L433-L441 HydrophobicContact CD1-CD1 4.34Å; L433-L441 HydrophobicContact CD2-CD1 4.38Å |
| 434 | S | 79 | Confident | 89.7 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.6 | -179.2 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | F430 K431 | F430-S434 PolarHBondContact O-N 3.45Å; K431-S434 PolarHBondContact O-OG 2.96Å |
| 435 | H | 83 | Confident | 89.7 | Confident | 173 Ų | 173 | 61.4 Ų | 61.4 | 80% | 0.801 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10 | 177.3 | -65.8 | -67.9 | 0 | 0 | 0 | 114 | L433 | L433-H435 PolarHBondContact O-N 3.08Å; L433-H435 VanDerWaalsContact O-N 3.11Å |
| 436 | V | 88 | Confident | 89.8 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -80.9 | 141.1 | 178.4 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | L433 A440 L441 | L433-V436 HydrophobicContact CD2-CG2 4.33Å; L433-V436 WeakPolarHBondContact O-CB 3.48Å; L433-V436 PolarHBondContact O-N 3Å; V436-A440 HydrophobicContact CG1-CB 3.79Å; V436-L441 HydrophobicContact CG1-CB 4.31Å |
| 437 | S | 90.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | trans | -65.8 | 152.4 | 177.4 | 93 | 0 | 0 | 0 | 0 | 111.3 | E439 A440 L441 | S437-E439 WeakPolarHBondContact CB-OE2 3.49Å; S437-E439 PolarHBondContact O-N 3.06Å; S437-E439 PolarHBondContact OG-OE2 3.41Å; S437-A440 PolarHBondContact O-N 2.9Å; S437-A440 PolarHBondContact OG-N 2.82Å; S437-L441 PolarHBondContact O-N 3.4Å | ||
| 438 | N | 87.8 | Confident | 90.1 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 179.3 | -73.3 | -36.9 | 0 | 0 | 0 | 111.6 | R428 A440 L441 N442 | R428-N438 PolarHBondContact NE-OD1 2.92Å; R428-N438 PolarHBondContact NH1-ND2 2.7Å; R428-N438 PolarHBondContact NH1-OD1 3.36Å; N438-A440 VanDerWaalsContact C-N 3.32Å; N438-A440 PolarHBondContact O-N 3.33Å; N438-L441 PolarHBondContact O-N 3.03Å; N438-N442 VanDerWaalsContact O-CB 3.23Å; N438-N442 WeakPolarHBondContact O-CB 3.44Å; N438-N442 PolarHBondContact O-N 3.2Å; N438-N442 PolarHBondContact O-ND2 3.01Å |
| 439 | E | 93.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | -178.2 | -56.4 | 78.4 | -173.9 | 0 | 0 | 111.3 | Y191 I195 S437 G443 | Y191-E439 WeakPolarHBondContact CE2-O 3.46Å; Y191-E439 PolarHBondContact OH-O 2.95Å; I195-E439 HydrophobicContact CG1-CB 4.25Å; I195-E439 HydrophobicContact CG1-CG 3.99Å; I195-E439 WeakPolarHBondContact O-CA 3.22Å; S437-E439 WeakPolarHBondContact CB-OE2 3.49Å; S437-E439 PolarHBondContact O-N 3.06Å; S437-E439 PolarHBondContact OG-OE2 3.41Å; E439-G443 PolarHBondContact O-N 2.85Å |
| 440 | A | 93.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.5 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V436 S437 N438 G443 F444 | V436-A440 HydrophobicContact CG1-CB 3.79Å; S437-A440 PolarHBondContact O-N 2.9Å; S437-A440 PolarHBondContact OG-N 2.82Å; N438-A440 VanDerWaalsContact C-N 3.32Å; N438-A440 PolarHBondContact O-N 3.33Å; A440-G443 PolarHBondContact O-N 3.4Å; A440-F444 WeakPolarHBondContact O-CB 3.36Å; A440-F444 PolarHBondContact O-N 3.13Å |
| 441 | L | 93.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 178.6 | -179.5 | 64.3 | 0 | 0 | 0 | 111.4 | R428 L433 V436 S437 N438 G443 F444 V445 | R428-L441 HydrophobicContact CB-CD2 3.95Å; R428-L441 HydrophobicContact CG-CD2 4.46Å; L433-L441 HydrophobicContact CD1-CD1 4.34Å; L433-L441 HydrophobicContact CD2-CD1 4.38Å; V436-L441 HydrophobicContact CG1-CB 4.31Å; S437-L441 PolarHBondContact O-N 3.4Å; N438-L441 PolarHBondContact O-N 3.03Å; L441-G443 VanDerWaalsContact C-N 3.33Å; L441-G443 PolarHBondContact O-N 2.9Å; L441-F444 PolarHBondContact O-N 2.71Å; L441-V445 WeakPolarHBondContact O-CG2 3.4Å; L441-V445 PolarHBondContact O-N 3.47Å |
| 442 | N | 94.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 179 | -66.8 | -8.7 | 0 | 0 | 0 | 111 | I194 T424 N438 V445 C446 | I194-N442 HydrophobicContact CD1-CB 4Å; I194-N442 HydrophobicContact CG1-CB 4.21Å; I194-N442 PolarHBondContact O-ND2 2.91Å; T424-N442 VanDerWaalsContact CG2-OD1 3.25Å; T424-N442 WeakPolarHBondContact CG2-OD1 3.38Å; N438-N442 VanDerWaalsContact O-CB 3.23Å; N438-N442 WeakPolarHBondContact O-CB 3.44Å; N438-N442 PolarHBondContact O-N 3.2Å; N438-N442 PolarHBondContact O-ND2 3.01Å; N442-V445 PolarHBondContact O-N 3.38Å; N442-C446 WeakPolarHBondContact O-CB 3.39Å; N442-C446 PolarHBondContact O-N 2.94Å; N442-C446 PolarHBondContact O-SG 3.17Å; N442-C446 VanDerWaalsContact O-SG 3.34Å |
| 443 | G | 95.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 51 Ų | 51 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E439 A440 L441 V445 C446 V447 | E439-G443 PolarHBondContact O-N 2.85Å; A440-G443 PolarHBondContact O-N 3.4Å; L441-G443 VanDerWaalsContact C-N 3.33Å; L441-G443 PolarHBondContact O-N 2.9Å; G443-V445 PolarHBondContact O-N 3.33Å; G443-C446 PolarHBondContact O-N 3.49Å; G443-V447 VanDerWaalsContact O-CG2 3.31Å; G443-V447 WeakPolarHBondContact O-CG2 3.37Å; G443-V447 PolarHBondContact O-N 3.26Å |
| 444 | F | 94.9 | Very high | 92.8 | Very high | 135 Ų | 135 | 52.1 Ų | 52.1 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.7 | -47 | 176.4 | 174.8 | -99.8 | 0 | 0 | 0 | 112.2 | A440 L441 V447 L448 | A440-F444 WeakPolarHBondContact O-CB 3.36Å; A440-F444 PolarHBondContact O-N 3.13Å; L441-F444 PolarHBondContact O-N 2.71Å; F444-V447 PolarHBondContact O-N 2.98Å; F444-L448 HydrophobicContact CE1-CD2 4.5Å; F444-L448 WeakPolarHBondContact O-CB 3.48Å; F444-L448 PolarHBondContact O-N 2.89Å |
| 445 | V | 95 | Very high | 93.5 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I420 I423 T424 L427 L441 N442 G443 V447 L448 C449 | I420-V445 HydrophobicContact CG2-CG1 4.39Å; I423-V445 HydrophobicContact CG2-CG1 3.99Å; T424-V445 HydrophobicContact CG2-CB 4.18Å; T424-V445 HydrophobicContact CG2-CG1 4.27Å; T424-V445 HydrophobicContact CG2-CG2 4.02Å; L427-V445 HydrophobicContact CD1-CG2 3.95Å; L441-V445 WeakPolarHBondContact O-CG2 3.4Å; L441-V445 PolarHBondContact O-N 3.47Å; N442-V445 PolarHBondContact O-N 3.38Å; G443-V445 PolarHBondContact O-N 3.33Å; V445-V447 PolarHBondContact O-N 3.08Å; V445-L448 PolarHBondContact O-N 3.48Å; V445-C449 PolarHBondContact O-N 2.98Å; V445-C449 PolarHBondContact O-SG 3.38Å |
| 446 | C | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.8 | -73 | 0 | 0 | 0 | 0 | 112.5 | W187 N442 G443 C449 L450 | W187-C446 HydrophobicContact CE3-CB 3.84Å; W187-C446 HydrophobicContact CZ3-CB 4.18Å; N442-C446 WeakPolarHBondContact O-CB 3.39Å; N442-C446 PolarHBondContact O-N 2.94Å; N442-C446 PolarHBondContact O-SG 3.17Å; N442-C446 VanDerWaalsContact O-SG 3.34Å; G443-C446 PolarHBondContact O-N 3.49Å; C446-C449 PolarHBondContact O-N 2.9Å; C446-L450 VanDerWaalsContact O-CB 3.3Å; C446-L450 WeakPolarHBondContact O-CB 3.18Å; C446-L450 PolarHBondContact O-N 3.03Å |
| 447 | V | 96.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111 | G443 F444 V445 L450 L451 | G443-V447 VanDerWaalsContact O-CG2 3.31Å; G443-V447 WeakPolarHBondContact O-CG2 3.37Å; G443-V447 PolarHBondContact O-N 3.26Å; F444-V447 PolarHBondContact O-N 2.98Å; V445-V447 PolarHBondContact O-N 3.08Å; V447-L450 PolarHBondContact O-N 3.25Å; V447-L451 HydrophobicContact CG1-CD1 4.05Å; V447-L451 HydrophobicContact CG1-CG 4.38Å; V447-L451 VanDerWaalsContact O-CG 3.29Å; V447-L451 WeakPolarHBondContact O-CG 3.34Å; V447-L451 PolarHBondContact O-N 3.24Å |
| 448 | L | 95.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 176.4 | -179.4 | 66.5 | 0 | 0 | 0 | 111.4 | M105 F444 V445 L451 L452 | M105-L448 HydrophobicContact CE-CD2 4.22Å; M105-L448 HydrophobicContact CE-CG 4.49Å; F444-L448 HydrophobicContact CE1-CD2 4.5Å; F444-L448 WeakPolarHBondContact O-CB 3.48Å; F444-L448 PolarHBondContact O-N 2.89Å; V445-L448 PolarHBondContact O-N 3.48Å; L448-L451 PolarHBondContact O-N 3.5Å; L448-L452 HydrophobicContact CD1-CD1 4.17Å; L448-L452 HydrophobicContact CD1-CG 4.49Å; L448-L452 HydrophobicContact CG-CD1 4.08Å; L448-L452 WeakPolarHBondContact O-CG 3.5Å; L448-L452 PolarHBondContact O-N 2.91Å |
| 449 | C | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -36.1 | 178.3 | -69 | 0 | 0 | 0 | 0 | 112.6 | L109 W187 V445 C446 G453 | L109-C449 HydrophobicContact CD2-CB 4.2Å; L109-C449 VanDerWaalsContact CD2-O 3.31Å; L109-C449 WeakPolarHBondContact CD2-O 3.26Å; W187-C449 HydrophobicContact CH2-CB 3.2Å; W187-C449 HydrophobicContact CZ2-CB 3.36Å; W187-C449 HydrophobicContact CZ3-CB 3.9Å; V445-C449 PolarHBondContact O-N 2.98Å; V445-C449 PolarHBondContact O-SG 3.38Å; C446-C449 PolarHBondContact O-N 2.9Å; C449-G453 PolarHBondContact O-N 3.34Å |
| 450 | L | 96 | Very high | 95.1 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -53.4 | 171.3 | 172.6 | 111.5 | 0 | 0 | 0 | 110.6 | F183 L184 W187 C446 V447 L452 G453 L454 | F183-L450 HydrophobicContact CD1-CD1 4.33Å; F183-L450 HydrophobicContact CE1-CD1 4.45Å; F183-L450 WeakPolarHBondContact CE1-O 3.36Å; L184-L450 HydrophobicContact CB-CD1 4.33Å; L184-L450 HydrophobicContact CD1-CD1 3.73Å; L184-L450 HydrophobicContact CD1-CD2 4.39Å; W187-L450 HydrophobicContact CB-CB 4.41Å; W187-L450 HydrophobicContact CB-CD1 3.73Å; W187-L450 HydrophobicContact CD2-CB 4.31Å; W187-L450 HydrophobicContact CG-CB 3.91Å; W187-L450 HydrophobicContact CG-CD1 3.8Å; W187-L450 HydrophobicContact CG-CG 4.47Å; C446-L450 VanDerWaalsContact O-CB 3.3Å; C446-L450 WeakPolarHBondContact O-CB 3.18Å; C446-L450 PolarHBondContact O-N 3.03Å; V447-L450 PolarHBondContact O-N 3.25Å; L450-L452 VanDerWaalsContact C-N 3.35Å; L450-L452 PolarHBondContact O-N 3.39Å; L450-G453 PolarHBondContact O-N 3.15Å; L450-G453 VanDerWaalsContact O-N 3.14Å; L450-L454 WeakPolarHBondContact O-CG 3.49Å; L450-L454 PolarHBondContact O-N 3.1Å; L450-L454 VanDerWaalsContact O-N 3.09Å |
| 451 | L | 96.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 38 Ų | 38 | 56% | 0.555 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.4 | -42.6 | -176.9 | -69.2 | 174.3 | 0 | 0 | 0 | 112.3 | V447 L448 G453 L454 | V447-L451 HydrophobicContact CG1-CD1 4.05Å; V447-L451 HydrophobicContact CG1-CG 4.38Å; V447-L451 VanDerWaalsContact O-CG 3.29Å; V447-L451 WeakPolarHBondContact O-CG 3.34Å; V447-L451 PolarHBondContact O-N 3.24Å; L448-L451 PolarHBondContact O-N 3.5Å; L451-G453 VanDerWaalsContact C-N 3.34Å; L451-L454 HydrophobicContact CD2-CD1 4.27Å |
| 452 | L | 94.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.3 | -33.6 | 176.5 | -68.5 | 173.4 | 0 | 0 | 0 | 112.3 | M105 L109 L448 L450 | M105-L452 HydrophobicContact CE-CD1 3.24Å; L109-L452 HydrophobicContact CD2-CB 3.57Å; L448-L452 HydrophobicContact CD1-CD1 4.17Å; L448-L452 HydrophobicContact CD1-CG 4.49Å; L448-L452 HydrophobicContact CG-CD1 4.08Å; L448-L452 WeakPolarHBondContact O-CG 3.5Å; L448-L452 PolarHBondContact O-N 2.91Å; L450-L452 VanDerWaalsContact C-N 3.35Å; L450-L452 PolarHBondContact O-N 3.39Å |
| 453 | G | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.9 | -10.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | C449 L450 L451 G455 F456 | C449-G453 PolarHBondContact O-N 3.34Å; L450-G453 PolarHBondContact O-N 3.15Å; L450-G453 VanDerWaalsContact O-N 3.14Å; L451-G453 VanDerWaalsContact C-N 3.34Å; G453-G455 PolarHBondContact O-N 2.98Å; G453-G455 VanDerWaalsContact O-N 3.11Å; G453-F456 VanDerWaalsContact O-CD2 3.3Å; G453-F456 WeakPolarHBondContact O-CD2 3.34Å; G453-F456 PolarHBondContact O-N 3.29Å; G453-F456 VanDerWaalsContact O-N 3.08Å |
| 454 | L | 94.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 27% | 0.272 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -57.4 | -28.5 | 177.3 | -77 | 173.1 | 0 | 0 | 0 | 112.8 | F183 L450 L451 F456 T457 | F183-L454 HydrophobicContact CD1-CD2 4.3Å; L450-L454 WeakPolarHBondContact O-CG 3.49Å; L450-L454 PolarHBondContact O-N 3.1Å; L450-L454 VanDerWaalsContact O-N 3.09Å; L451-L454 HydrophobicContact CD2-CD1 4.27Å; L454-F456 PolarHBondContact O-N 2.94Å; L454-T457 PolarHBondContact O-N 3.05Å; L454-T457 PolarHBondContact O-OG1 3.19Å |
| 455 | G | 93 | Very high | 95.1 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -56.9 | -31.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G453 T457 T458 | G453-G455 PolarHBondContact O-N 2.98Å; G453-G455 VanDerWaalsContact O-N 3.11Å; G455-T457 PolarHBondContact O-N 3.38Å; G455-T458 WeakPolarHBondContact O-CG2 3.38Å; G455-T458 PolarHBondContact O-N 3.46Å; G455-T458 PolarHBondContact O-OG1 2.86Å |
| 456 | F | 95.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -75.2 | -10.4 | 178.6 | -59.9 | -73.4 | 0 | 0 | 0 | 113.5 | L109 I113 G453 L454 T458 G461 W464 F465 F468 | L109-F456 HydrophobicContact CB-CE2 3.91Å; I113-F456 HydrophobicContact CD1-CB 3.5Å; I113-F456 VanDerWaalsContact CD1-CB 3.5Å; I113-F456 HydrophobicContact CD1-CG 4.43Å; I113-F456 HydrophobicContact CG1-CB 3.56Å; I113-F456 HydrophobicContact CG1-CD2 4.22Å; I113-F456 HydrophobicContact CG1-CG 4.09Å; G453-F456 VanDerWaalsContact O-CD2 3.3Å; G453-F456 WeakPolarHBondContact O-CD2 3.34Å; G453-F456 PolarHBondContact O-N 3.29Å; G453-F456 VanDerWaalsContact O-N 3.08Å; L454-F456 PolarHBondContact O-N 2.94Å; F456-T458 VanDerWaalsContact C-N 3.34Å; F456-G461 WeakPolarHBondContact O-CA 3.49Å; F456-W464 HydrophobicContact CD1-CB 3.8Å; F456-W464 HydrophobicContact CE1-CB 3.79Å; F456-F465 HydrophobicContact CD1-CB 4.07Å; F456-F468 AromaticContact CE1-CD2 3.75Å; F456-F468 HydrophobicContact CE1-CD2 3.75Å; F456-F468 HydrophobicContact CE1-CE2 4.12Å; F456-F468 HydrophobicContact CE1-CG 4.2Å; F456-F468 HydrophobicContact CZ-CD1 4.32Å; F456-F468 AromaticContact CZ-CD2 3.69Å; F456-F468 HydrophobicContact CZ-CD2 3.69Å; F456-F468 HydrophobicContact CZ-CE1 4.41Å; F456-F468 AromaticContact CZ-CE2 3.77Å; F456-F468 HydrophobicContact CZ-CE2 3.77Å; F456-F468 AromaticContact CZ-CG 3.95Å; F456-F468 HydrophobicContact CZ-CG 3.95Å; F456-F468 HydrophobicContact CZ-CZ 4.14Å |
| 457 | T | 95.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -92.5 | 4.5 | 177.5 | 69.5 | 0 | 0 | 0 | 0 | 113 | I113 Q176 F183 L454 G455 | I113-T457 HydrophobicContact CD1-CG2 3.83Å; Q176-T457 PolarHBondContact N-O 2.88Å; F183-T457 HydrophobicContact CB-CG2 4.1Å; F183-T457 HydrophobicContact CD1-CG2 4.2Å; F183-T457 HydrophobicContact CG-CG2 4.21Å; L454-T457 PolarHBondContact O-N 3.05Å; L454-T457 PolarHBondContact O-OG1 3.19Å; G455-T457 PolarHBondContact O-N 3.38Å |
| 458 | T | 95.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 17% | 0.172 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 168.4 | 173.1 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | I175 G455 F456 S460 G461 | I175-T458 HydrophobicContact CG1-CG2 4.03Å; G455-T458 WeakPolarHBondContact O-CG2 3.38Å; G455-T458 PolarHBondContact O-N 3.46Å; G455-T458 PolarHBondContact O-OG1 2.86Å; F456-T458 VanDerWaalsContact C-N 3.34Å; T458-S460 VanDerWaalsContact C-N 3.25Å; T458-S460 PolarHBondContact O-N 2.96Å; T458-S460 PolarHBondContact OG1-OG 3.19Å; T458-G461 WeakPolarHBondContact O-CA 3.46Å; T458-G461 PolarHBondContact O-N 3.4Å; T458-G461 PolarHBondContact OG1-N 3.07Å |
| 459 | R | 95.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 29.5 Ų | 29.5 | 40% | 0.396 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.1 | 178.9 | -64.1 | -166.5 | 175.1 | 168.6 | -0.7 | 114.3 | N164 I165 S166 Q176 G461 | N164-R459 PolarHBondContact ND2-NE 2.96Å; N164-R459 PolarHBondContact ND2-NH2 3.36Å; N164-R459 VanDerWaalsContact O-CB 3.31Å; N164-R459 WeakPolarHBondContact O-CB 3.47Å; N164-R459 VanDerWaalsContact O-CD 3.27Å; N164-R459 WeakPolarHBondContact O-CD 3.48Å; N164-R459 WeakPolarHBondContact O-CG 3.36Å; I165-R459 WeakPolarHBondContact CA-O 3.33Å; S166-R459 PolarHBondContact N-O 3.35Å; S166-R459 PolarHBondContact OG-O 3.39Å; Q176-R459 HydrophobicContact CG-CG 4.48Å; R459-G461 VanDerWaalsContact C-N 3.33Å |
| 460 | S | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -0.5 | 173.7 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | S166 N172 T458 N462 Y463 W464 | S166-S460 WeakPolarHBondContact OG-CA 3.37Å; S166-S460 WeakPolarHBondContact OG-CB 3.21Å; N172-S460 PolarHBondContact OD1-OG 3.2Å; T458-S460 VanDerWaalsContact C-N 3.25Å; T458-S460 PolarHBondContact O-N 2.96Å; T458-S460 PolarHBondContact OG1-OG 3.19Å; S460-N462 VanDerWaalsContact C-N 3.28Å; S460-N462 PolarHBondContact O-N 2.82Å; S460-Y463 WeakPolarHBondContact O-CB 3.48Å; S460-Y463 PolarHBondContact O-N 3.48Å; S460-W464 PolarHBondContact O-N 3.18Å |
| 461 | G | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -31.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F456 T458 R459 Y463 W464 F465 | F456-G461 WeakPolarHBondContact O-CA 3.49Å; T458-G461 WeakPolarHBondContact O-CA 3.46Å; T458-G461 PolarHBondContact O-N 3.4Å; T458-G461 PolarHBondContact OG1-N 3.07Å; R459-G461 VanDerWaalsContact C-N 3.33Å; G461-Y463 VanDerWaalsContact C-N 3.31Å; G461-Y463 PolarHBondContact O-N 3.44Å; G461-W464 PolarHBondContact O-N 3.05Å; G461-F465 WeakPolarHBondContact O-CB 3.45Å; G461-F465 PolarHBondContact O-N 3.02Å |
| 462 | N | 93.5 | Very high | 93 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 174.3 | -174.6 | 69.8 | 0 | 0 | 0 | 112.5 | L163 I165 S460 F465 T466 | L163-N462 HydrophobicContact CD1-CB 3.9Å; L163-N462 HydrophobicContact CD2-CB 4.47Å; I165-N462 HydrophobicContact CD1-CB 4.17Å; S460-N462 VanDerWaalsContact C-N 3.28Å; S460-N462 PolarHBondContact O-N 2.82Å; N462-F465 WeakPolarHBondContact O-CB 3.29Å; N462-F465 PolarHBondContact O-N 3.26Å; N462-T466 PolarHBondContact O-N 2.81Å; N462-T466 PolarHBondContact O-OG1 2.66Å; N462-T466 VanDerWaalsContact O-OG1 3.14Å |
| 463 | Y | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70 | -38.6 | 177 | -53.4 | -49.4 | 0 | 0 | 0 | 111.7 | I165 S166 I169 S460 G461 F465 T466 M467 Y544 Q545 A546 W547 | I165-Y463 HydrophobicContact CD1-CE1 3.73Å; I165-Y463 HydrophobicContact CD1-CE2 4.26Å; I165-Y463 WeakPolarHBondContact CD1-OH 3.46Å; I165-Y463 HydrophobicContact CG1-CE1 4.41Å; I165-Y463 HydrophobicContact CG1-CE2 4.06Å; S166-Y463 VanDerWaalsContact O-CE2 3.29Å; S166-Y463 WeakPolarHBondContact O-CE2 3.28Å; S166-Y463 PolarHBondContact O-OH 2.91Å; I169-Y463 HydrophobicContact CB-CD2 4.13Å; I169-Y463 HydrophobicContact CB-CG 4.35Å; S460-Y463 WeakPolarHBondContact O-CB 3.48Å; S460-Y463 PolarHBondContact O-N 3.48Å; G461-Y463 VanDerWaalsContact C-N 3.31Å; G461-Y463 PolarHBondContact O-N 3.44Å; Y463-F465 VanDerWaalsContact C-N 3.34Å; Y463-T466 PolarHBondContact O-N 2.87Å; Y463-M467 PolarHBondContact O-N 3.03Å; Y463-Y544 AromaticContact CD1-CD2 3.52Å; Y463-Y544 HydrophobicContact CD1-CD2 3.52Å; Y463-Y544 AromaticContact CD1-CE2 3.56Å; Y463-Y544 HydrophobicContact CD1-CE2 3.56Å; Y463-Y544 HydrophobicContact CD2-CE2 4.22Å; Y463-Y544 HydrophobicContact CE1-CD2 4.05Å; Y463-Y544 AromaticContact CE1-CE2 3.87Å; Y463-Y544 HydrophobicContact CE1-CE2 3.87Å; Y463-Y544 HydrophobicContact CE2-CE2 4.47Å; Y463-Y544 AromaticContact CG-CD2 3.99Å; Y463-Y544 HydrophobicContact CG-CD2 3.99Å; Y463-Y544 AromaticContact CG-CE2 3.74Å; Y463-Y544 HydrophobicContact CG-CE2 3.74Å; Y463-Q545 VanDerWaalsContact CE1-O 3.25Å; Y463-Q545 WeakPolarHBondContact CE1-O 3.32Å; Y463-A546 HydrophobicContact CE1-CB 4.48Å; Y463-W547 PolarHBondContact OH-N 3.08Å |
| 464 | W | 94.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 23.7 Ų | 23.7 | 17% | 0.167 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 171 | -69.6 | 103.2 | 0 | 0 | 0 | 111.5 | I169 F456 S460 G461 T466 M467 F468 F562 F566 | I169-W464 HydrophobicContact CD1-CD2 4.17Å; I169-W464 HydrophobicContact CD1-CZ2 4.37Å; I169-W464 HydrophobicContact CG1-CZ2 4.33Å; F456-W464 HydrophobicContact CD1-CB 3.8Å; F456-W464 HydrophobicContact CE1-CB 3.79Å; S460-W464 PolarHBondContact O-N 3.18Å; G461-W464 PolarHBondContact O-N 3.05Å; W464-T466 PolarHBondContact O-N 3.25Å; W464-M467 HydrophobicContact CE3-SD 4.17Å; W464-M467 HydrophobicContact CZ3-CE 4.38Å; W464-M467 HydrophobicContact CZ3-SD 4.1Å; W464-M467 PolarHBondContact O-N 3.06Å; W464-F468 WeakPolarHBondContact O-CD2 3.39Å; W464-F468 PolarHBondContact O-N 2.75Å; W464-F562 HydrophobicContact CH2-CD2 4.4Å; W464-F562 HydrophobicContact CH2-CE2 4.04Å; W464-F562 HydrophobicContact CZ2-CE2 4.04Å; W464-F566 AromaticContact CZ3-CD1 3.91Å; W464-F566 HydrophobicContact CZ3-CD1 3.91Å; W464-F566 HydrophobicContact CZ3-CD2 4.28Å; W464-F566 HydrophobicContact CZ3-CE1 4.1Å; W464-F566 HydrophobicContact CZ3-CE2 4.46Å; W464-F566 AromaticContact CZ3-CG 4Å; W464-F566 HydrophobicContact CZ3-CG 4Å; W464-F566 HydrophobicContact CZ3-CZ 4.37Å |
| 465 | F | 94.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 175.6 | 167 | -83.3 | 0 | 0 | 0 | 111 | Y110 I113 I114 W117 T380 F456 G461 N462 Y463 M467 F468 N469 | Y110-F465 HydrophobicContact CD2-CD2 4.03Å; Y110-F465 AromaticContact CD2-CE2 3.55Å; Y110-F465 HydrophobicContact CD2-CE2 3.55Å; Y110-F465 HydrophobicContact CD2-CZ 4.09Å; Y110-F465 HydrophobicContact CE2-CE2 4.44Å; Y110-F465 HydrophobicContact CG-CD2 4.4Å; Y110-F465 HydrophobicContact CG-CE2 4.33Å; Y110-F465 WeakPolarHBondContact O-CE2 3.32Å; I113-F465 HydrophobicContact CB-CD2 4.36Å; I113-F465 HydrophobicContact CG2-CD2 4.3Å; I114-F465 HydrophobicContact CD1-CE2 3.88Å; I114-F465 HydrophobicContact CD1-CZ 3.84Å; I114-F465 HydrophobicContact CG1-CE2 3.65Å; I114-F465 HydrophobicContact CG1-CZ 3.79Å; W117-F465 HydrophobicContact CH2-CB 4.47Å; W117-F465 AromaticContact CH2-CD1 3.94Å; W117-F465 HydrophobicContact CH2-CD1 3.94Å; W117-F465 AromaticContact CH2-CD2 3.97Å; W117-F465 HydrophobicContact CH2-CD2 3.97Å; W117-F465 HydrophobicContact CH2-CE1 4.19Å; W117-F465 HydrophobicContact CH2-CE2 4.18Å; W117-F465 AromaticContact CH2-CG 3.86Å; W117-F465 HydrophobicContact CH2-CG 3.86Å; W117-F465 HydrophobicContact CH2-CZ 4.31Å; W117-F465 HydrophobicContact CZ3-CD1 4.35Å; W117-F465 HydrophobicContact CZ3-CD2 4.25Å; W117-F465 HydrophobicContact CZ3-CE1 4.13Å; W117-F465 AromaticContact CZ3-CE2 3.99Å; W117-F465 HydrophobicContact CZ3-CE2 3.99Å; W117-F465 HydrophobicContact CZ3-CG 4.44Å; W117-F465 AromaticContact CZ3-CZ 3.96Å; W117-F465 HydrophobicContact CZ3-CZ 3.96Å; T380-F465 HydrophobicContact CG2-CD1 4.48Å; T380-F465 HydrophobicContact CG2-CE1 3.57Å; T380-F465 HydrophobicContact CG2-CZ 3.85Å; F456-F465 HydrophobicContact CD1-CB 4.07Å; G461-F465 WeakPolarHBondContact O-CB 3.45Å; G461-F465 PolarHBondContact O-N 3.02Å; N462-F465 WeakPolarHBondContact O-CB 3.29Å; N462-F465 PolarHBondContact O-N 3.26Å; Y463-F465 VanDerWaalsContact C-N 3.34Å; F465-M467 PolarHBondContact O-N 2.89Å; F465-F468 PolarHBondContact O-N 3.16Å; F465-N469 WeakPolarHBondContact O-CB 3.06Å; F465-N469 PolarHBondContact O-N 3.34Å |
| 466 | T | 91.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 21.2 Ų | 21.2 | 22% | 0.215 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | N462 Y463 W464 F468 N469 D470 | N462-T466 PolarHBondContact O-N 2.81Å; N462-T466 PolarHBondContact O-OG1 2.66Å; N462-T466 VanDerWaalsContact O-OG1 3.14Å; Y463-T466 PolarHBondContact O-N 2.87Å; W464-T466 PolarHBondContact O-N 3.25Å; T466-F468 VanDerWaalsContact C-N 3.34Å; T466-F468 PolarHBondContact O-N 3.2Å; T466-N469 PolarHBondContact O-N 2.8Å; T466-N469 VanDerWaalsContact O-N 3.16Å; T466-D470 VanDerWaalsContact CG2-OD2 3.25Å; T466-D470 WeakPolarHBondContact CG2-OD2 3.22Å; T466-D470 VanDerWaalsContact O-CG 3.22Å; T466-D470 PolarHBondContact O-N 2.7Å |
| 467 | M | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.7 | -45 | 176.9 | -175.3 | -172.2 | -69.7 | 0 | 0 | 112.7 | I169 Y463 W464 F465 Y471 Y559 F566 I567 L570 | I169-M467 HydrophobicContact CD1-CE 3.77Å; Y463-M467 PolarHBondContact O-N 3.03Å; W464-M467 HydrophobicContact CE3-SD 4.17Å; W464-M467 HydrophobicContact CZ3-CE 4.38Å; W464-M467 HydrophobicContact CZ3-SD 4.1Å; W464-M467 PolarHBondContact O-N 3.06Å; F465-M467 PolarHBondContact O-N 2.89Å; M467-Y471 HydrophobicContact CG-CD2 4.33Å; M467-Y471 WeakPolarHBondContact O-CB 3.3Å; M467-Y471 WeakPolarHBondContact O-CD2 3.37Å; M467-Y471 PolarHBondContact O-N 3.48Å; M467-Y471 VanDerWaalsContact O-N 3.12Å; M467-Y559 HydrophobicContact CB-CE1 4.27Å; M467-Y559 HydrophobicContact CE-CD1 3.53Å; M467-Y559 HydrophobicContact CE-CE1 3.33Å; M467-Y559 HydrophobicContact CE-CG 4.47Å; M467-Y559 HydrophobicContact CG-CE1 4.5Å; M467-F566 HydrophobicContact SD-CB 4.32Å; M467-F566 HydrophobicContact SD-CD1 3.62Å; M467-F566 HydrophobicContact SD-CE1 4.43Å; M467-F566 HydrophobicContact SD-CG 4.37Å; M467-I567 HydrophobicContact CE-CD1 4.4Å; M467-I567 HydrophobicContact CE-CG1 4.24Å; M467-I567 HydrophobicContact CG-CD1 4.24Å; M467-I567 HydrophobicContact CG-CG1 3.65Å; M467-I567 HydrophobicContact SD-CG1 3.86Å; M467-L570 HydrophobicContact CG-CD1 4.29Å; M467-L570 HydrophobicContact SD-CD1 4.45Å |
| 468 | F | 93.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 7% | 0.066 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | 177.1 | -89.8 | -103.4 | 0 | 0 | 0 | 112.4 | Y106 L109 Y110 F456 W464 F465 T466 G472 F566 L570 | Y106-F468 HydrophobicContact CD1-CE1 4.07Å; Y106-F468 HydrophobicContact CG-CD1 4.5Å; Y106-F468 HydrophobicContact CG-CE1 4.36Å; L109-F468 HydrophobicContact CD1-CE1 4.44Å; Y110-F468 HydrophobicContact CD1-CB 4.02Å; Y110-F468 HydrophobicContact CG-CB 4.41Å; F456-F468 AromaticContact CE1-CD2 3.75Å; F456-F468 HydrophobicContact CE1-CD2 3.75Å; F456-F468 HydrophobicContact CE1-CE2 4.12Å; F456-F468 HydrophobicContact CE1-CG 4.2Å; F456-F468 HydrophobicContact CZ-CD1 4.32Å; F456-F468 AromaticContact CZ-CD2 3.69Å; F456-F468 HydrophobicContact CZ-CD2 3.69Å; F456-F468 HydrophobicContact CZ-CE1 4.41Å; F456-F468 AromaticContact CZ-CE2 3.77Å; F456-F468 HydrophobicContact CZ-CE2 3.77Å; F456-F468 AromaticContact CZ-CG 3.95Å; F456-F468 HydrophobicContact CZ-CG 3.95Å; F456-F468 HydrophobicContact CZ-CZ 4.14Å; W464-F468 WeakPolarHBondContact O-CD2 3.39Å; W464-F468 PolarHBondContact O-N 2.75Å; F465-F468 PolarHBondContact O-N 3.16Å; T466-F468 VanDerWaalsContact C-N 3.34Å; T466-F468 PolarHBondContact O-N 3.2Å; F468-G472 VanDerWaalsContact O-CA 3.23Å; F468-G472 WeakPolarHBondContact O-CA 3.49Å; F468-G472 PolarHBondContact O-N 2.89Å; F468-F566 AromaticContact CE2-CE1 3.57Å; F468-F566 HydrophobicContact CE2-CE1 3.57Å; F468-F566 HydrophobicContact CE2-CZ 4.12Å; F468-F566 AromaticContact CZ-CE1 3.82Å; F468-F566 HydrophobicContact CZ-CE1 3.82Å; F468-F566 HydrophobicContact CZ-CZ 4.1Å; F468-L570 HydrophobicContact CD1-CD2 4.22Å; F468-L570 HydrophobicContact CD2-CD1 4.26Å; F468-L570 HydrophobicContact CE1-CD2 3.65Å; F468-L570 HydrophobicContact CE2-CD1 4.3Å; F468-L570 HydrophobicContact CE2-CD2 4.36Å; F468-L570 HydrophobicContact CG-CD1 4.45Å; F468-L570 HydrophobicContact CZ-CD1 4.48Å; F468-L570 HydrophobicContact CZ-CD2 3.74Å |
| 469 | N | 89.3 | Confident | 91.3 | Very high | 32 Ų | 32 | 20 Ų | 20 | 17% | 0.171 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.6 | 179.4 | 73.4 | 0 | 0 | 0 | 112.2 | Y110 F465 T466 | Y110-N469 HydrophobicContact CD2-CB 4.45Å; Y110-N469 HydrophobicContact CE2-CB 3.98Å; Y110-N469 WeakPolarHBondContact CE2-OD1 3.25Å; Y110-N469 PolarHBondContact OH-OD1 3.33Å; F465-N469 WeakPolarHBondContact O-CB 3.06Å; F465-N469 PolarHBondContact O-N 3.34Å; T466-N469 PolarHBondContact O-N 2.8Å; T466-N469 VanDerWaalsContact O-N 3.16Å |
| 470 | D | 86.8 | Confident | 91.3 | Very high | 58 Ų | 58 | 15 Ų | 15 | 31% | 0.31 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -83.2 | -41.5 | -171.8 | -59.8 | -10.2 | 0 | 0 | 0 | 111.4 | T466 T474 | T466-D470 VanDerWaalsContact CG2-OD2 3.25Å; T466-D470 WeakPolarHBondContact CG2-OD2 3.22Å; T466-D470 VanDerWaalsContact O-CG 3.22Å; T466-D470 PolarHBondContact O-N 2.7Å; D470-T474 PolarHBondContact O-OG1 3.43Å |
| 471 | Y | 88.3 | Confident | 91.3 | Very high | 34 Ų | 34 | 15.1 Ų | 15.1 | 13% | 0.133 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -107.5 | -20.5 | -172.5 | -58.6 | -70.8 | 0 | 0 | 0 | 114.8 | M467 A473 Y536 Y559 I567 L571 | M467-Y471 HydrophobicContact CG-CD2 4.33Å; M467-Y471 WeakPolarHBondContact O-CB 3.3Å; M467-Y471 WeakPolarHBondContact O-CD2 3.37Å; M467-Y471 PolarHBondContact O-N 3.48Å; M467-Y471 VanDerWaalsContact O-N 3.12Å; Y471-A473 PolarHBondContact O-N 3.48Å; Y471-Y536 HydrophobicContact CD1-CE2 4.48Å; Y471-Y536 HydrophobicContact CE1-CE2 4.09Å; Y471-Y559 HydrophobicContact CE2-CE2 4.05Å; Y471-I567 HydrophobicContact CD1-CG2 3.96Å; Y471-I567 HydrophobicContact CD2-CD1 3.84Å; Y471-I567 HydrophobicContact CD2-CG1 3.87Å; Y471-I567 HydrophobicContact CD2-CG2 4.13Å; Y471-I567 HydrophobicContact CE1-CG2 4.49Å; Y471-I567 HydrophobicContact CE2-CD1 3.7Å; Y471-I567 HydrophobicContact CE2-CG1 4.27Å; Y471-I567 HydrophobicContact CG-CG1 4.33Å; Y471-I567 HydrophobicContact CG-CG2 3.76Å; Y471-L571 WeakPolarHBondContact O-CD2 3.25Å |
| 472 | G | 85.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -66.9 | -39.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F468 | F468-G472 VanDerWaalsContact O-CA 3.23Å; F468-G472 WeakPolarHBondContact O-CA 3.49Å; F468-G472 PolarHBondContact O-N 2.89Å |
| 473 | A | 85.7 | Confident | 91.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -117.5 | -36 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T103 L107 F259 F265 Y471 F475 S476 L477 | T103-A473 HydrophobicContact CG2-CB 3.73Å; L107-A473 HydrophobicContact CD1-CB 3.55Å; F259-A473 HydrophobicContact CE1-CB 3.64Å; F259-A473 HydrophobicContact CZ-CB 3.59Å; F265-A473 HydrophobicContact CE1-CB 4.36Å; Y471-A473 PolarHBondContact O-N 3.48Å; A473-F475 PolarHBondContact O-N 3.4Å; A473-S476 PolarHBondContact O-N 3.22Å; A473-S476 VanDerWaalsContact O-N 3.13Å; A473-L477 HydrophobicContact CB-CD1 4.13Å; A473-L477 HydrophobicContact CB-CG 4.36Å; A473-L477 WeakPolarHBondContact O-CB 3.49Å; A473-L477 VanDerWaalsContact O-CG 3.23Å; A473-L477 WeakPolarHBondContact O-CG 3.29Å; A473-L477 PolarHBondContact O-N 2.71Å |
| 474 | T | 86.3 | Confident | 91.6 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.6 | -53.7 | -170.1 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | T255 F259 D470 L477 L478 Y532 | T255-T474 HydrophobicContact CG2-CG2 3.71Å; F259-T474 WeakPolarHBondContact CE2-OG1 3.02Å; D470-T474 PolarHBondContact O-OG1 3.43Å; T474-L477 PolarHBondContact O-N 3.2Å; T474-L478 PolarHBondContact O-N 2.75Å; T474-Y532 HydrophobicContact CG2-CE2 3.89Å |
| 475 | F | 88.4 | Confident | 91.7 | Very high | 39 Ų | 39 | 16.8 Ų | 16.8 | 17% | 0.171 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 179.1 | 179.2 | -104.2 | 0 | 0 | 0 | 112.6 | A473 L477 L479 F529 Y532 V533 L571 V575 | A473-F475 PolarHBondContact O-N 3.4Å; F475-L477 VanDerWaalsContact C-N 3.33Å; F475-L477 PolarHBondContact O-N 2.99Å; F475-L479 PolarHBondContact O-N 2.9Å; F475-F529 HydrophobicContact CD2-CE2 4.06Å; F475-F529 HydrophobicContact CE2-CD2 4.48Å; F475-F529 AromaticContact CE2-CE2 3.46Å; F475-F529 HydrophobicContact CE2-CE2 3.46Å; F475-F529 VanDerWaalsContact CE2-CE2 3.46Å; F475-F529 AromaticContact CE2-CZ 3.84Å; F475-F529 HydrophobicContact CE2-CZ 3.84Å; F475-F529 AromaticContact CZ-CE2 3.91Å; F475-F529 HydrophobicContact CZ-CE2 3.91Å; F475-F529 HydrophobicContact CZ-CZ 4.06Å; F475-Y532 HydrophobicContact CB-CE1 3.98Å; F475-Y532 AromaticContact CD2-CD1 3.85Å; F475-Y532 HydrophobicContact CD2-CD1 3.85Å; F475-Y532 AromaticContact CD2-CE1 3.58Å; F475-Y532 HydrophobicContact CD2-CE1 3.58Å; F475-Y532 HydrophobicContact CG-CE1 4.25Å; F475-V533 HydrophobicContact CE2-CG2 4.22Å; F475-L571 HydrophobicContact CB-CD2 3.48Å; F475-L571 VanDerWaalsContact CB-CD2 3.48Å; F475-L571 HydrophobicContact CD1-CB 4.19Å; F475-L571 HydrophobicContact CD1-CD2 3.84Å; F475-L571 HydrophobicContact CG-CD2 3.84Å; F475-V575 HydrophobicContact CD1-CG2 3.93Å; F475-V575 HydrophobicContact CE1-CB 4.49Å; F475-V575 HydrophobicContact CE1-CG2 3.76Å |
| 476 | S | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | A473 L479 I480 S574 | A473-S476 PolarHBondContact O-N 3.22Å; A473-S476 VanDerWaalsContact O-N 3.13Å; S476-L479 PolarHBondContact O-N 2.85Å; S476-I480 WeakPolarHBondContact O-CB 3.35Å; S476-I480 WeakPolarHBondContact O-CD1 3.41Å; S476-I480 WeakPolarHBondContact O-CG1 3.44Å; S476-I480 PolarHBondContact O-N 3.34Å; S476-S574 WeakPolarHBondContact OG-CB 3.25Å |
| 477 | L | 91.1 | Very high | 92 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | -177.8 | -71.7 | 175.1 | 0 | 0 | 0 | 112.8 | T103 F259 L263 F265 A473 T474 F475 L479 I480 V481 | T103-L477 HydrophobicContact CG2-CD2 4.25Å; T103-L477 HydrophobicContact CG2-CG 4.44Å; F259-L477 HydrophobicContact CD1-CD1 4.16Å; F259-L477 HydrophobicContact CD2-CD1 4.27Å; F259-L477 HydrophobicContact CE1-CD1 3.87Å; F259-L477 HydrophobicContact CE2-CD1 3.98Å; F259-L477 HydrophobicContact CG-CD1 4.36Å; F259-L477 HydrophobicContact CZ-CD1 3.78Å; L263-L477 WeakPolarHBondContact O-CD2 3.47Å; F265-L477 HydrophobicContact CD1-CD2 4.01Å; F265-L477 HydrophobicContact CD2-CD2 4.19Å; F265-L477 HydrophobicContact CE1-CD1 4.08Å; F265-L477 HydrophobicContact CE1-CD2 3.75Å; F265-L477 HydrophobicContact CE1-CG 4.29Å; F265-L477 HydrophobicContact CE2-CD1 3.86Å; F265-L477 HydrophobicContact CE2-CD2 3.97Å; F265-L477 HydrophobicContact CG-CD2 4.24Å; F265-L477 HydrophobicContact CZ-CD1 3.43Å; F265-L477 VanDerWaalsContact CZ-CD1 3.43Å; F265-L477 HydrophobicContact CZ-CD2 3.77Å; F265-L477 HydrophobicContact CZ-CG 4.1Å; A473-L477 HydrophobicContact CB-CD1 4.13Å; A473-L477 HydrophobicContact CB-CG 4.36Å; A473-L477 WeakPolarHBondContact O-CB 3.49Å; A473-L477 VanDerWaalsContact O-CG 3.23Å; A473-L477 WeakPolarHBondContact O-CG 3.29Å; A473-L477 PolarHBondContact O-N 2.71Å; T474-L477 PolarHBondContact O-N 3.2Å; F475-L477 VanDerWaalsContact C-N 3.33Å; F475-L477 PolarHBondContact O-N 2.99Å; L477-L479 PolarHBondContact O-N 3.14Å; L477-I480 PolarHBondContact O-N 3.22Å; L477-V481 WeakPolarHBondContact O-CB 3.47Å; L477-V481 VanDerWaalsContact O-CG2 3.27Å; L477-V481 WeakPolarHBondContact O-CG2 3.33Å; L477-V481 PolarHBondContact O-N 3.41Å |
| 478 | L | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -54.2 | -43.4 | 177.4 | -67.6 | -178.9 | 0 | 0 | 0 | 110.9 | T255 F258 T474 L482 F529 Y532 | T255-L478 HydrophobicContact CG2-CD2 4.05Å; T255-L478 HydrophobicContact CG2-CG 4.49Å; F258-L478 HydrophobicContact CD2-CD2 3.91Å; F258-L478 HydrophobicContact CE2-CD2 3.55Å; T474-L478 PolarHBondContact O-N 2.75Å; L478-L482 VanDerWaalsContact O-CB 3.31Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.36Å; L478-F529 HydrophobicContact CB-CD2 4.26Å; L478-Y532 HydrophobicContact CD1-CD2 4.36Å; L478-Y532 HydrophobicContact CD1-CG 4.08Å |
| 479 | L | 93.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 16.9 Ų | 16.9 | 12% | 0.115 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -74.2 | -44.6 | -179.3 | -163.6 | 91 | 0 | 0 | 0 | 112.5 | F475 S476 L477 L482 F483 F529 V575 I578 | F475-L479 PolarHBondContact O-N 2.9Å; S476-L479 PolarHBondContact O-N 2.85Å; L477-L479 PolarHBondContact O-N 3.14Å; L479-L482 PolarHBondContact O-N 3.1Å; L479-F483 HydrophobicContact CD1-CE2 4Å; L479-F483 HydrophobicContact CD2-CD2 4.2Å; L479-F483 HydrophobicContact CD2-CE2 3.86Å; L479-F483 HydrophobicContact CG-CD2 3.85Å; L479-F483 HydrophobicContact CG-CE2 3.67Å; L479-F483 VanDerWaalsContact O-CD2 3.23Å; L479-F483 WeakPolarHBondContact O-CD2 3.36Å; L479-F483 PolarHBondContact O-N 3.36Å; L479-F529 HydrophobicContact CB-CE2 4.49Å; L479-F529 HydrophobicContact CD1-CD2 4.4Å; L479-F529 HydrophobicContact CD1-CE2 3.82Å; L479-F529 HydrophobicContact CD1-CZ 3.9Å; L479-V575 HydrophobicContact CB-CG2 4.49Å; L479-V575 HydrophobicContact CD2-CB 3.98Å; L479-V575 HydrophobicContact CD2-CG1 3.3Å; L479-V575 HydrophobicContact CD2-CG2 3.68Å; L479-I578 HydrophobicContact CD2-CD1 4.26Å |
| 480 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -54.2 | 179.3 | -71 | 163.1 | 0 | 0 | 0 | 109.4 | I96 A99 G264 S476 L477 L482 F483 E484 | I96-I480 HydrophobicContact CG2-CG2 4.19Å; A99-I480 HydrophobicContact CB-CD1 3.79Å; A99-I480 HydrophobicContact CB-CG1 3.85Å; G264-I480 WeakPolarHBondContact O-CG2 3.31Å; S476-I480 WeakPolarHBondContact O-CB 3.35Å; S476-I480 WeakPolarHBondContact O-CD1 3.41Å; S476-I480 WeakPolarHBondContact O-CG1 3.44Å; S476-I480 PolarHBondContact O-N 3.34Å; L477-I480 PolarHBondContact O-N 3.22Å; I480-L482 VanDerWaalsContact C-N 3.29Å; I480-L482 PolarHBondContact O-N 2.89Å; I480-F483 PolarHBondContact O-N 3.38Å; I480-E484 HydrophobicContact CG2-CG 4.23Å; I480-E484 WeakPolarHBondContact O-CG 3.43Å; I480-E484 PolarHBondContact O-N 3.31Å |
| 481 | V | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | -178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L67 L263 L477 F483 E484 V485 L525 | L67-V481 HydrophobicContact CD1-CG1 3.48Å; L67-V481 VanDerWaalsContact CD1-CG1 3.48Å; L67-V481 HydrophobicContact CD2-CG1 4.04Å; L67-V481 HydrophobicContact CG-CG1 4.3Å; L263-V481 HydrophobicContact CB-CG2 4.25Å; L477-V481 WeakPolarHBondContact O-CB 3.47Å; L477-V481 VanDerWaalsContact O-CG2 3.27Å; L477-V481 WeakPolarHBondContact O-CG2 3.33Å; L477-V481 PolarHBondContact O-N 3.41Å; V481-F483 PolarHBondContact O-N 2.97Å; V481-E484 PolarHBondContact O-N 3.14Å; V481-V485 WeakPolarHBondContact O-CG2 3.49Å; V481-V485 PolarHBondContact O-N 2.97Å; V481-V485 VanDerWaalsContact O-N 3.07Å; V481-L525 HydrophobicContact CG1-CD1 3.84Å; V481-L525 HydrophobicContact CG1-CD2 4.11Å |
| 482 | L | 95.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.084 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 173.6 | 175.9 | 61.8 | 0 | 0 | 0 | 111.9 | L478 L479 I480 E484 V485 I486 L525 I526 | L478-L482 VanDerWaalsContact O-CB 3.31Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.36Å; L479-L482 PolarHBondContact O-N 3.1Å; I480-L482 VanDerWaalsContact C-N 3.29Å; I480-L482 PolarHBondContact O-N 2.89Å; L482-E484 VanDerWaalsContact C-N 3.35Å; L482-E484 PolarHBondContact O-N 2.8Å; L482-V485 PolarHBondContact O-N 3.44Å; L482-I486 HydrophobicContact CD1-CD1 3.68Å; L482-I486 HydrophobicContact CD1-CG1 4.2Å; L482-I486 HydrophobicContact CG-CD1 3.88Å; L482-I486 WeakPolarHBondContact O-CB 3.38Å; L482-I486 VanDerWaalsContact O-CG1 3.3Å; L482-I486 WeakPolarHBondContact O-CG1 3.29Å; L482-I486 PolarHBondContact O-N 3.37Å; L482-L525 HydrophobicContact CB-CB 4.31Å; L482-L525 HydrophobicContact CB-CD1 4.46Å; L482-L525 HydrophobicContact CD1-CB 3.93Å; L482-I526 HydrophobicContact CD1-CD1 4.34Å; L482-I526 HydrophobicContact CD1-CG1 3.77Å; L482-I526 HydrophobicContact CD2-CG1 3.94Å |
| 483 | F | 96.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 24.2 Ų | 24.2 | 32% | 0.32 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -67.2 | -33.5 | 178 | -82 | -67 | 0 | 0 | 0 | 112.9 | I96 L479 I480 V481 S487 I578 | I96-F483 HydrophobicContact CD1-CB 3.81Å; I96-F483 HydrophobicContact CG1-CB 4.11Å; L479-F483 HydrophobicContact CD1-CE2 4Å; L479-F483 HydrophobicContact CD2-CD2 4.2Å; L479-F483 HydrophobicContact CD2-CE2 3.86Å; L479-F483 HydrophobicContact CG-CD2 3.85Å; L479-F483 HydrophobicContact CG-CE2 3.67Å; L479-F483 VanDerWaalsContact O-CD2 3.23Å; L479-F483 WeakPolarHBondContact O-CD2 3.36Å; L479-F483 PolarHBondContact O-N 3.36Å; I480-F483 PolarHBondContact O-N 3.38Å; V481-F483 PolarHBondContact O-N 2.97Å; F483-S487 WeakPolarHBondContact O-CB 3.35Å; F483-S487 PolarHBondContact O-N 3.48Å; F483-S487 PolarHBondContact O-OG 3.14Å; F483-I578 HydrophobicContact CB-CD1 4.45Å; F483-I578 HydrophobicContact CD2-CD1 3.59Å; F483-I578 HydrophobicContact CD2-CG2 4.38Å; F483-I578 HydrophobicContact CE2-CD1 4.17Å; F483-I578 HydrophobicContact CE2-CG2 4.43Å; F483-I578 HydrophobicContact CG-CD1 4.23Å |
| 484 | E | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 175.1 | -69.7 | -170.9 | 151 | 0 | 0 | 111.3 | W86 I96 I480 V481 L482 S487 V488 | W86-E484 HydrophobicContact CH2-CB 3.6Å; W86-E484 HydrophobicContact CH2-CG 3.75Å; W86-E484 HydrophobicContact CZ2-CB 3.67Å; W86-E484 VanDerWaalsContact CZ2-CD 3.47Å; W86-E484 HydrophobicContact CZ2-CG 3.28Å; W86-E484 WeakPolarHBondContact CZ2-OE1 3.48Å; W86-E484 HydrophobicContact CZ3-CB 4.5Å; W86-E484 PolarHBondContact NE1-OE1 2.92Å; I96-E484 HydrophobicContact CG2-CG 3.58Å; I480-E484 HydrophobicContact CG2-CG 4.23Å; I480-E484 WeakPolarHBondContact O-CG 3.43Å; I480-E484 PolarHBondContact O-N 3.31Å; V481-E484 PolarHBondContact O-N 3.14Å; L482-E484 VanDerWaalsContact C-N 3.35Å; L482-E484 PolarHBondContact O-N 2.8Å; E484-S487 WeakPolarHBondContact O-CB 3.28Å; E484-S487 PolarHBondContact O-N 3.42Å; E484-V488 WeakPolarHBondContact O-CG2 3.36Å; E484-V488 PolarHBondContact O-N 3.45Å |
| 485 | V | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | L67 V481 L482 S487 V488 S489 W517 P522 L525 | L67-V485 HydrophobicContact CD2-CB 4.48Å; L67-V485 HydrophobicContact CD2-CG2 3.02Å; V481-V485 WeakPolarHBondContact O-CG2 3.49Å; V481-V485 PolarHBondContact O-N 2.97Å; V481-V485 VanDerWaalsContact O-N 3.07Å; L482-V485 PolarHBondContact O-N 3.44Å; V485-S487 PolarHBondContact O-N 3.18Å; V485-V488 PolarHBondContact O-N 3.05Å; V485-S489 VanDerWaalsContact O-CB 3.26Å; V485-S489 WeakPolarHBondContact O-CB 3.49Å; V485-S489 PolarHBondContact O-N 3.08Å; V485-S489 PolarHBondContact O-OG 3.13Å; V485-W517 WeakPolarHBondContact CG1-O 3.38Å; V485-P522 HydrophobicContact CG1-CG 3.65Å; V485-L525 HydrophobicContact CG2-CD1 4.23Å |
| 486 | I | 96.6 | Very high | 95 | Very high | 49 Ų | 49 | 39.4 Ų | 39.4 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -41 | 178.5 | -71.3 | 173.1 | 0 | 0 | 0 | 110.5 | L482 Y490 I491 | L482-I486 HydrophobicContact CD1-CD1 3.68Å; L482-I486 HydrophobicContact CD1-CG1 4.2Å; L482-I486 HydrophobicContact CG-CD1 3.88Å; L482-I486 WeakPolarHBondContact O-CB 3.38Å; L482-I486 VanDerWaalsContact O-CG1 3.3Å; L482-I486 WeakPolarHBondContact O-CG1 3.29Å; L482-I486 PolarHBondContact O-N 3.37Å; I486-Y490 HydrophobicContact CB-CD2 4.41Å; I486-Y490 HydrophobicContact CG1-CD2 4.47Å; I486-Y490 HydrophobicContact CG2-CD2 4.18Å; I486-Y490 WeakPolarHBondContact O-CB 3.22Å; I486-Y490 PolarHBondContact O-N 2.93Å; I486-I491 PolarHBondContact O-N 3.31Å |
| 487 | S | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -62.9 | -43.8 | 179.5 | -67 | 0 | 0 | 0 | 0 | 112.2 | L93 I96 F483 E484 V485 I491 Y492 | L93-S487 WeakPolarHBondContact CD1-OG 3.26Å; I96-S487 VanDerWaalsContact CD1-OG 3.31Å; I96-S487 WeakPolarHBondContact CD1-OG 3.37Å; F483-S487 WeakPolarHBondContact O-CB 3.35Å; F483-S487 PolarHBondContact O-N 3.48Å; F483-S487 PolarHBondContact O-OG 3.14Å; E484-S487 WeakPolarHBondContact O-CB 3.28Å; E484-S487 PolarHBondContact O-N 3.42Å; V485-S487 PolarHBondContact O-N 3.18Å; S487-I491 WeakPolarHBondContact O-CB 3.35Å; S487-I491 PolarHBondContact O-N 3.34Å; S487-Y492 WeakPolarHBondContact O-CB 3.28Å; S487-Y492 PolarHBondContact O-N 2.88Å |
| 488 | V | 96.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -74.8 | -47.4 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | L70 I74 W86 E484 V485 G493 F497 | L70-V488 HydrophobicContact CD1-CB 4.07Å; L70-V488 HydrophobicContact CD1-CG1 4.15Å; L70-V488 HydrophobicContact CD1-CG2 4.4Å; L70-V488 HydrophobicContact CD2-CB 4.41Å; L70-V488 HydrophobicContact CD2-CG2 3.83Å; L70-V488 HydrophobicContact CG-CB 4.4Å; L70-V488 HydrophobicContact CG-CG1 4.31Å; L70-V488 HydrophobicContact CG-CG2 4.28Å; I74-V488 HydrophobicContact CD1-CG1 4.4Å; I74-V488 HydrophobicContact CD1-CG2 3.78Å; I74-V488 HydrophobicContact CG1-CG2 3.9Å; W86-V488 HydrophobicContact CH2-CG2 3.86Å; W86-V488 HydrophobicContact CZ3-CG2 3.79Å; E484-V488 WeakPolarHBondContact O-CG2 3.36Å; E484-V488 PolarHBondContact O-N 3.45Å; V485-V488 PolarHBondContact O-N 3.05Å; V488-G493 PolarHBondContact O-N 2.97Å; V488-G493 VanDerWaalsContact O-N 3.09Å; V488-F497 HydrophobicContact CG1-CB 4.27Å; V488-F497 HydrophobicContact CG1-CD1 3.71Å; V488-F497 HydrophobicContact CG1-CD2 3.88Å; V488-F497 HydrophobicContact CG1-CE1 3.88Å; V488-F497 HydrophobicContact CG1-CE2 4.07Å; V488-F497 HydrophobicContact CG1-CG 3.69Å; V488-F497 HydrophobicContact CG1-CZ 4.05Å |
| 489 | S | 95.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -69.6 | -42.8 | -173.2 | -65 | 0 | 0 | 0 | 0 | 113.2 | V485 I494 W517 | V485-S489 VanDerWaalsContact O-CB 3.26Å; V485-S489 WeakPolarHBondContact O-CB 3.49Å; V485-S489 PolarHBondContact O-N 3.08Å; V485-S489 PolarHBondContact O-OG 3.13Å; S489-I494 PolarHBondContact O-N 3.42Å; S489-W517 WeakPolarHBondContact CB-O 3.43Å; S489-W517 VanDerWaalsContact OG-C 3.27Å; S489-W517 WeakPolarHBondContact OG-CB 3.5Å; S489-W517 PolarHBondContact OG-O 2.85Å |
| 490 | Y | 96.1 | Very high | 96 | Very high | 138 Ų | 138 | 46 Ų | 46 | 54% | 0.541 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -111.6 | -37.6 | -171 | -56.6 | -78.2 | 0 | 0 | 0 | 114.3 | I486 G518 | I486-Y490 HydrophobicContact CB-CD2 4.41Å; I486-Y490 HydrophobicContact CG1-CD2 4.47Å; I486-Y490 HydrophobicContact CG2-CD2 4.18Å; I486-Y490 WeakPolarHBondContact O-CB 3.22Å; I486-Y490 PolarHBondContact O-N 2.93Å; Y490-G518 PolarHBondContact OH-O 3.02Å |
| 491 | I | 95.7 | Very high | 96 | Very high | 93 Ų | 93 | 46 Ų | 46 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -83.9 | -52 | -177.8 | -57.6 | 176.9 | 0 | 0 | 0 | 111.1 | L93 I486 S487 G493 | L93-I491 HydrophobicContact CD1-CB 4.5Å; L93-I491 HydrophobicContact CD1-CD1 4.07Å; L93-I491 HydrophobicContact CD1-CG2 4.15Å; L93-I491 HydrophobicContact CD2-CD1 3.87Å; L93-I491 HydrophobicContact CG-CD1 4.46Å; I486-I491 PolarHBondContact O-N 3.31Å; S487-I491 WeakPolarHBondContact O-CB 3.35Å; S487-I491 PolarHBondContact O-N 3.34Å; I491-G493 VanDerWaalsContact C-N 3.34Å |
| 492 | Y | 96 | Very high | 96.1 | Very high | 24 Ų | 24 | 49 Ų | 49 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -71.3 | -35.4 | 174 | -167.6 | -116.4 | 0 | 0 | 0 | 111.3 | M78 I89 S487 R496 F497 D500 | M78-Y492 HydrophobicContact CE-CE2 4.3Å; I89-Y492 HydrophobicContact CB-CD2 4.28Å; I89-Y492 HydrophobicContact CG1-CD2 3.98Å; I89-Y492 HydrophobicContact CG1-CE2 4.39Å; I89-Y492 HydrophobicContact CG1-CG 4.41Å; I89-Y492 HydrophobicContact CG2-CD2 3.85Å; I89-Y492 HydrophobicContact CG2-CG 4.2Å; S487-Y492 WeakPolarHBondContact O-CB 3.28Å; S487-Y492 PolarHBondContact O-N 2.88Å; Y492-R496 HydrophobicContact CE1-CB 4.34Å; Y492-R496 HydrophobicContact CE1-CG 3.89Å; Y492-R496 PolarHBondContact OH-NE 3.14Å; Y492-R496 VanDerWaalsContact OH-NE 3.1Å; Y492-F497 HydrophobicContact CD1-CB 4.11Å; Y492-F497 HydrophobicContact CD1-CD2 4.5Å; Y492-F497 HydrophobicContact CE1-CB 4.31Å; Y492-F497 HydrophobicContact CE1-CD2 4.44Å; Y492-D500 VanDerWaalsContact CE1-OD2 3.28Å; Y492-D500 WeakPolarHBondContact CE1-OD2 3.49Å; Y492-D500 VanDerWaalsContact CZ-OD2 3.29Å; Y492-D500 PolarHBondContact OH-OD2 3.32Å |
| 493 | G | 95.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | 91.4 | 122.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V488 I491 K495 R496 F497 | V488-G493 PolarHBondContact O-N 2.97Å; V488-G493 VanDerWaalsContact O-N 3.09Å; I491-G493 VanDerWaalsContact C-N 3.34Å; G493-K495 PolarHBondContact O-N 2.96Å; G493-K495 VanDerWaalsContact O-N 3.12Å; G493-R496 WeakPolarHBondContact O-CB 3.36Å; G493-R496 PolarHBondContact O-N 3.41Å; G493-F497 PolarHBondContact O-N 3.35Å; G493-F497 VanDerWaalsContact O-N 3.12Å |
| 494 | I | 94.5 | Very high | 96.2 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -33.5 | -175.2 | -158.2 | 165.4 | 0 | 0 | 0 | 114.1 | S489 R496 F497 E498 K514 | S489-I494 PolarHBondContact O-N 3.42Å; I494-R496 PolarHBondContact O-N 3.11Å; I494-F497 PolarHBondContact O-N 3.05Å; I494-E498 WeakPolarHBondContact O-CB 3.43Å; I494-E498 PolarHBondContact O-N 3.38Å; I494-K514 HydrophobicContact CD1-CB 4.16Å; I494-K514 HydrophobicContact CD1-CG 4.33Å |
| 495 | K | 95.1 | Very high | 96.2 | Very high | 176 Ų | 176 | 49.6 Ų | 49.6 | 77% | 0.765 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -66.8 | -35.8 | 177.8 | -67.2 | -175.7 | 179.6 | 179.6 | 0 | 112.7 | G493 K499 | G493-K495 PolarHBondContact O-N 2.96Å; G493-K495 VanDerWaalsContact O-N 3.12Å; K495-K499 PolarHBondContact O-N 2.99Å |
| 496 | R | 95.9 | Very high | 96.1 | Very high | 151 Ų | 151 | 52.7 Ų | 52.7 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.1 | -43.9 | 176.8 | -177.1 | 177.9 | 178.4 | 174.9 | -1.2 | 109.9 | Y492 G493 I494 E498 K499 D500 | Y492-R496 HydrophobicContact CE1-CB 4.34Å; Y492-R496 HydrophobicContact CE1-CG 3.89Å; Y492-R496 PolarHBondContact OH-NE 3.14Å; Y492-R496 VanDerWaalsContact OH-NE 3.1Å; G493-R496 WeakPolarHBondContact O-CB 3.36Å; G493-R496 PolarHBondContact O-N 3.41Å; I494-R496 PolarHBondContact O-N 3.11Å; R496-E498 VanDerWaalsContact C-N 3.34Å; R496-E498 PolarHBondContact O-N 3.26Å; R496-K499 WeakPolarHBondContact O-CB 3.28Å; R496-K499 PolarHBondContact O-N 2.73Å; R496-D500 PolarHBondContact O-N 3.2Å |
| 497 | F | 96.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.5 | -171.3 | -124 | 0 | 0 | 0 | 112.5 | L70 A73 I74 V488 Y492 G493 I494 K499 D500 I501 W517 | L70-F497 HydrophobicContact CG-CZ 4.36Å; A73-F497 HydrophobicContact CB-CE2 3.92Å; A73-F497 HydrophobicContact CB-CZ 3.63Å; I74-F497 HydrophobicContact CD1-CD2 4.04Å; I74-F497 HydrophobicContact CD1-CE2 3.56Å; I74-F497 HydrophobicContact CD1-CZ 4.42Å; I74-F497 HydrophobicContact CG1-CE2 4.01Å; I74-F497 HydrophobicContact CG1-CZ 4.47Å; V488-F497 HydrophobicContact CG1-CB 4.27Å; V488-F497 HydrophobicContact CG1-CD1 3.71Å; V488-F497 HydrophobicContact CG1-CD2 3.88Å; V488-F497 HydrophobicContact CG1-CE1 3.88Å; V488-F497 HydrophobicContact CG1-CE2 4.07Å; V488-F497 HydrophobicContact CG1-CG 3.69Å; V488-F497 HydrophobicContact CG1-CZ 4.05Å; Y492-F497 HydrophobicContact CD1-CB 4.11Å; Y492-F497 HydrophobicContact CD1-CD2 4.5Å; Y492-F497 HydrophobicContact CE1-CB 4.31Å; Y492-F497 HydrophobicContact CE1-CD2 4.44Å; G493-F497 PolarHBondContact O-N 3.35Å; G493-F497 VanDerWaalsContact O-N 3.12Å; I494-F497 PolarHBondContact O-N 3.05Å; F497-K499 VanDerWaalsContact C-N 3.31Å; F497-K499 PolarHBondContact O-N 3.37Å; F497-D500 PolarHBondContact O-N 3.36Å; F497-D500 VanDerWaalsContact O-N 3.17Å; F497-I501 HydrophobicContact CD1-CD1 3.77Å; F497-I501 HydrophobicContact CE1-CD1 3.57Å; F497-I501 HydrophobicContact CE2-CD1 4.36Å; F497-I501 HydrophobicContact CE2-CG1 4.5Å; F497-I501 HydrophobicContact CG-CD1 4.28Å; F497-I501 HydrophobicContact CZ-CD1 3.89Å; F497-I501 HydrophobicContact CZ-CG1 4.42Å; F497-I501 WeakPolarHBondContact O-CG1 3.46Å; F497-I501 PolarHBondContact O-N 3.17Å; F497-W517 HydrophobicContact CD1-CE3 4.12Å; F497-W517 AromaticContact CD1-CZ3 3.94Å; F497-W517 HydrophobicContact CD1-CZ3 3.94Å; F497-W517 HydrophobicContact CE1-CD2 4.46Å; F497-W517 AromaticContact CE1-CE3 3.89Å; F497-W517 HydrophobicContact CE1-CE3 3.89Å; F497-W517 AromaticContact CE1-CH2 3.94Å; F497-W517 HydrophobicContact CE1-CH2 3.94Å; F497-W517 HydrophobicContact CE1-CZ2 4.48Å; F497-W517 AromaticContact CE1-CZ3 3.6Å; F497-W517 HydrophobicContact CE1-CZ3 3.6Å |
| 498 | E | 96.3 | Very high | 96 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 174 | -173.6 | -174.6 | 153.9 | 0 | 0 | 111.9 | I494 R496 I501 E502 R508 P509 | I494-E498 WeakPolarHBondContact O-CB 3.43Å; I494-E498 PolarHBondContact O-N 3.38Å; R496-E498 VanDerWaalsContact C-N 3.34Å; R496-E498 PolarHBondContact O-N 3.26Å; E498-I501 PolarHBondContact O-N 3.43Å; E498-E502 WeakPolarHBondContact O-CB 3.37Å; E498-E502 PolarHBondContact O-N 3.43Å; E498-R508 HydrophobicContact CG-CB 4.24Å; E498-R508 HydrophobicContact CG-CG 4.1Å; E498-R508 WeakPolarHBondContact OE1-CD 3.41Å; E498-R508 IonicContact OE1-CZ 2.66Å; E498-R508 IonicContact OE1-NE 3.22Å; E498-R508 IonicContact OE1-NH1 3.98Å; E498-R508 PolarHBondContact OE1-NH1 2.94Å; E498-P509 HydrophobicContact CB-CG 4.36Å; E498-P509 HydrophobicContact CG-CG 3.88Å |
| 499 | K | 97.1 | Very high | 96 | Very high | 120 Ų | 120 | 60.3 Ų | 60.3 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.9 | -172.7 | 178.1 | 179.4 | 175.5 | 0 | 111.9 | K495 R496 F497 I501 E502 D503 | K495-K499 PolarHBondContact O-N 2.99Å; R496-K499 WeakPolarHBondContact O-CB 3.28Å; R496-K499 PolarHBondContact O-N 2.73Å; F497-K499 VanDerWaalsContact C-N 3.31Å; F497-K499 PolarHBondContact O-N 3.37Å; K499-I501 VanDerWaalsContact C-N 3.3Å; K499-I501 PolarHBondContact O-N 3.36Å; K499-E502 WeakPolarHBondContact O-CB 3.36Å; K499-E502 PolarHBondContact O-N 2.98Å; K499-D503 PolarHBondContact O-N 2.92Å |
| 500 | D | 96.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 177.1 | -73.3 | -40.8 | 0 | 0 | 0 | 112.3 | K77 Y492 R496 F497 D503 M504 | K77-D500 HydrophobicContact CD-CB 4.07Å; K77-D500 WeakPolarHBondContact CE-OD1 3.34Å; K77-D500 HydrophobicContact CG-CB 4.35Å; K77-D500 IonicContact NZ-OD1 3.54Å; K77-D500 PolarHBondContact NZ-OD1 3.24Å; Y492-D500 VanDerWaalsContact CE1-OD2 3.28Å; Y492-D500 WeakPolarHBondContact CE1-OD2 3.49Å; Y492-D500 VanDerWaalsContact CZ-OD2 3.29Å; Y492-D500 PolarHBondContact OH-OD2 3.32Å; R496-D500 PolarHBondContact O-N 3.2Å; F497-D500 PolarHBondContact O-N 3.36Å; F497-D500 VanDerWaalsContact O-N 3.17Å; D500-D503 PolarHBondContact O-N 3.17Å; D500-M504 WeakPolarHBondContact O-CE 3.43Å; D500-M504 WeakPolarHBondContact O-CG 3.29Å; D500-M504 PolarHBondContact O-N 3.34Å |
| 501 | I | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 173.1 | -68.4 | 164.6 | 0 | 0 | 0 | 110.4 | Y69 F281 F497 E498 K499 D503 M504 L505 P509 W517 | Y69-I501 HydrophobicContact CE1-CD1 3.8Å; Y69-I501 HydrophobicContact CE1-CG1 4.48Å; Y69-I501 WeakPolarHBondContact OH-CG2 3.43Å; F281-I501 HydrophobicContact CZ-CG1 4.26Å; F281-I501 HydrophobicContact CZ-CG2 4.29Å; F497-I501 HydrophobicContact CD1-CD1 3.77Å; F497-I501 HydrophobicContact CE1-CD1 3.57Å; F497-I501 HydrophobicContact CE2-CD1 4.36Å; F497-I501 HydrophobicContact CE2-CG1 4.5Å; F497-I501 HydrophobicContact CG-CD1 4.28Å; F497-I501 HydrophobicContact CZ-CD1 3.89Å; F497-I501 HydrophobicContact CZ-CG1 4.42Å; F497-I501 WeakPolarHBondContact O-CG1 3.46Å; F497-I501 PolarHBondContact O-N 3.17Å; E498-I501 PolarHBondContact O-N 3.43Å; K499-I501 VanDerWaalsContact C-N 3.3Å; K499-I501 PolarHBondContact O-N 3.36Å; I501-D503 VanDerWaalsContact C-N 3.27Å; I501-D503 PolarHBondContact O-N 2.84Å; I501-M504 PolarHBondContact O-N 3.43Å; I501-M504 VanDerWaalsContact O-N 3.07Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.33Å; I501-L505 PolarHBondContact O-N 2.85Å; I501-P509 HydrophobicContact CD1-CB 4.47Å; I501-P509 HydrophobicContact CD1-CG 4.05Å; I501-W517 HydrophobicContact CD1-CH2 4.11Å; I501-W517 HydrophobicContact CD1-CZ3 4.11Å |
| 502 | E | 97.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 29% | 0.29 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 175.3 | -178.7 | 174.5 | -142.8 | 0 | 0 | 111.4 | E498 K499 M504 G506 H507 R508 | E498-E502 WeakPolarHBondContact O-CB 3.37Å; E498-E502 PolarHBondContact O-N 3.43Å; K499-E502 WeakPolarHBondContact O-CB 3.36Å; K499-E502 PolarHBondContact O-N 2.98Å; E502-M504 VanDerWaalsContact C-N 3.31Å; E502-M504 PolarHBondContact O-N 2.92Å; E502-G506 WeakPolarHBondContact O-CA 3.41Å; E502-G506 PolarHBondContact O-N 3.49Å; E502-H507 WeakPolarHBondContact CA-O 3.47Å; E502-R508 HydrophobicContact CB-CG 3.96Å; E502-R508 HydrophobicContact CG-CG 4.04Å; E502-R508 IonicContact OE1-NE 2.81Å; E502-R508 PolarHBondContact OE1-NE 3.3Å; E502-R508 VanDerWaalsContact OE1-NE 3.08Å; E502-R508 IonicContact OE2-CZ 2.77Å; E502-R508 VanDerWaalsContact OE2-CZ 3.25Å; E502-R508 IonicContact OE2-NE 3.7Å; E502-R508 PolarHBondContact OE2-NE 3.01Å; E502-R508 IonicContact OE2-NH2 2.71Å; E502-R508 PolarHBondContact OE2-NH2 3.26Å |
| 503 | D | 96.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.2 | -30.2 | 176.6 | -68.3 | -18.5 | 0 | 0 | 0 | 112.9 | H278 K499 D500 I501 | H278-D503 PolarHBondContact CE1-O 3.34Å; K499-D503 PolarHBondContact O-N 2.92Å; D500-D503 PolarHBondContact O-N 3.17Å; I501-D503 VanDerWaalsContact C-N 3.27Å; I501-D503 PolarHBondContact O-N 2.84Å |
| 504 | M | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -86.2 | -45.9 | 179.9 | -71.8 | -174.9 | -67.2 | 0 | 0 | 112.8 | Q76 K77 Y277 H278 F281 D500 I501 E502 | Q76-M504 HydrophobicContact CB-SD 4.36Å; Q76-M504 HydrophobicContact CG-SD 4.14Å; K77-M504 HydrophobicContact CB-CE 3.86Å; K77-M504 HydrophobicContact CB-SD 3.81Å; K77-M504 HydrophobicContact CD-CE 4.31Å; K77-M504 HydrophobicContact CD-CG 4.5Å; K77-M504 HydrophobicContact CD-SD 4.04Å; Y277-M504 HydrophobicContact CD1-CG 4.47Å; Y277-M504 HydrophobicContact CD2-CG 4.45Å; Y277-M504 HydrophobicContact CE1-CG 3.98Å; Y277-M504 HydrophobicContact CE2-CG 3.97Å; H278-M504 PolarHBondContact ND1-O 3.43Å; F281-M504 HydrophobicContact CE1-CB 4.05Å; F281-M504 HydrophobicContact CE1-CE 3.72Å; F281-M504 HydrophobicContact CE1-SD 4.1Å; F281-M504 HydrophobicContact CZ-CE 3.83Å; D500-M504 WeakPolarHBondContact O-CE 3.43Å; D500-M504 WeakPolarHBondContact O-CG 3.29Å; D500-M504 PolarHBondContact O-N 3.34Å; I501-M504 PolarHBondContact O-N 3.43Å; I501-M504 VanDerWaalsContact O-N 3.07Å; E502-M504 VanDerWaalsContact C-N 3.31Å; E502-M504 PolarHBondContact O-N 2.92Å |
| 505 | L | 96.5 | Very high | 96 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -98.5 | -16.1 | -172.8 | -62.1 | -176.7 | 0 | 0 | 0 | 114.1 | N280 F281 E282 I501 H507 | N280-L505 HydrophobicContact CB-CD2 4.48Å; F281-L505 HydrophobicContact CD1-CD2 3.9Å; F281-L505 HydrophobicContact CD1-CG 4.42Å; F281-L505 HydrophobicContact CE1-CD1 4.07Å; F281-L505 HydrophobicContact CE1-CD2 3.7Å; F281-L505 HydrophobicContact CE1-CG 3.75Å; F281-L505 HydrophobicContact CE2-CD1 4.09Å; F281-L505 HydrophobicContact CZ-CD1 3.74Å; F281-L505 HydrophobicContact CZ-CD2 4.24Å; F281-L505 HydrophobicContact CZ-CG 3.88Å; E282-L505 HydrophobicContact CB-CD1 3.74Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.33Å; I501-L505 PolarHBondContact O-N 2.85Å; L505-H507 VanDerWaalsContact C-N 3.3Å |
| 506 | G | 95.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 68% | 0.68 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 81.9 | 1.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E502 | E502-G506 WeakPolarHBondContact O-CA 3.41Å; E502-G506 PolarHBondContact O-N 3.49Å |
| 507 | H | 95.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 38% | 0.384 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -145.4 | 156.9 | 174.7 | 67.4 | 85 | 0 | 0 | 0 | 111.3 | E282 E502 L505 | E282-H507 IonicContact OE2-CE1 2.89Å; E282-H507 PolarHBondContact OE2-CE1 2.81Å; E282-H507 VanDerWaalsContact OE2-CE1 3.28Å; E502-H507 WeakPolarHBondContact CA-O 3.47Å; L505-H507 VanDerWaalsContact C-N 3.3Å |
| 508 | R | 95.1 | Very high | 96 | Very high | 123 Ų | 123 | 54.8 Ų | 54.8 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -78 | 151.5 | 178.1 | -70.4 | 169.3 | 173.4 | -123.1 | -4.4 | 111.7 | E498 E502 | E498-R508 HydrophobicContact CG-CB 4.24Å; E498-R508 HydrophobicContact CG-CG 4.1Å; E498-R508 WeakPolarHBondContact OE1-CD 3.41Å; E498-R508 IonicContact OE1-CZ 2.66Å; E498-R508 IonicContact OE1-NE 3.22Å; E498-R508 IonicContact OE1-NH1 3.98Å; E498-R508 PolarHBondContact OE1-NH1 2.94Å; E502-R508 HydrophobicContact CB-CG 3.96Å; E502-R508 HydrophobicContact CG-CG 4.04Å; E502-R508 IonicContact OE1-NE 2.81Å; E502-R508 PolarHBondContact OE1-NE 3.3Å; E502-R508 VanDerWaalsContact OE1-NE 3.08Å; E502-R508 IonicContact OE2-CZ 2.77Å; E502-R508 VanDerWaalsContact OE2-CZ 3.25Å; E502-R508 IonicContact OE2-NE 3.7Å; E502-R508 PolarHBondContact OE2-NE 3.01Å; E502-R508 IonicContact OE2-NH2 2.71Å; E502-R508 PolarHBondContact OE2-NH2 3.26Å |
| 509 | P | 95.2 | Very high | 96 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 140.1 | 169.9 | 27.1 | -35.7 | 0 | 0 | 0 | 111.6 | E498 I501 W513 W517 | E498-P509 HydrophobicContact CB-CG 4.36Å; E498-P509 HydrophobicContact CG-CG 3.88Å; I501-P509 HydrophobicContact CD1-CB 4.47Å; I501-P509 HydrophobicContact CD1-CG 4.05Å; P509-W513 HydrophobicContact CB-CB 4.24Å; P509-W513 HydrophobicContact CB-CG 4.45Å; P509-W517 HydrophobicContact CB-CH2 4.47Å; P509-W517 HydrophobicContact CB-CZ3 4.39Å |
| 510 | N | 94.4 | Very high | 96 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 163.8 | 175.8 | -68.8 | -24.1 | 0 | 0 | 0 | 113.1 | F512 W513 | N510-F512 PolarHBondContact O-N 2.77Å; N510-W513 PolarHBondContact O-N 2.76Å |
| 511 | W | 94.9 | Very high | 95.9 | Very high | 183 Ų | 183 | 51.4 Ų | 51.4 | 69% | 0.693 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.8 | -33.8 | 179.6 | 67.5 | -92.9 | 0 | 0 | 0 | 113.3 | W513 K514 I515 | W511-W513 PolarHBondContact O-N 2.97Å; W511-K514 PolarHBondContact O-N 3.48Å; W511-I515 HydrophobicContact CE3-CD1 3.52Å; W511-I515 HydrophobicContact CE3-CG1 4.31Å; W511-I515 HydrophobicContact CZ3-CD1 3.76Å; W511-I515 WeakPolarHBondContact O-CG1 3.28Å; W511-I515 PolarHBondContact O-N 3.04Å; W511-I515 VanDerWaalsContact O-N 3.08Å |
| 512 | F | 95.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.6 | -55.2 | 176.9 | 171.7 | -101 | 0 | 0 | 0 | 111.6 | L61 P66 N510 K514 I515 M516 | L61-F512 HydrophobicContact CD1-CZ 4.04Å; L61-F512 HydrophobicContact CG-CZ 4.37Å; P66-F512 HydrophobicContact CG-CE1 4.42Å; N510-F512 PolarHBondContact O-N 2.77Å; F512-K514 VanDerWaalsContact C-N 3.25Å; F512-K514 PolarHBondContact O-N 3.2Å; F512-I515 PolarHBondContact O-N 3.2Å; F512-M516 HydrophobicContact CD1-CG 4.42Å; F512-M516 HydrophobicContact CD2-CE 4.14Å; F512-M516 HydrophobicContact CD2-CG 4.36Å; F512-M516 HydrophobicContact CE1-CG 4.02Å; F512-M516 HydrophobicContact CE2-CE 3.79Å; F512-M516 HydrophobicContact CE2-CG 3.96Å; F512-M516 HydrophobicContact CE2-SD 4.09Å; F512-M516 HydrophobicContact CZ-CE 4.45Å; F512-M516 HydrophobicContact CZ-CG 3.76Å; F512-M516 HydrophobicContact CZ-SD 4.17Å; F512-M516 WeakPolarHBondContact O-CG 3.35Å; F512-M516 PolarHBondContact O-N 2.82Å |
| 513 | W | 96.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 55 Ų | 55 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -39.8 | -179.6 | -58.1 | 125.8 | 0 | 0 | 0 | 112.4 | V65 P66 Y69 E282 I286 P509 N510 W511 M516 W517 | V65-W513 HydrophobicContact CG1-CH2 3.64Å; V65-W513 HydrophobicContact CG1-CZ3 3.92Å; P66-W513 HydrophobicContact CB-CE3 4.33Å; P66-W513 HydrophobicContact CB-CZ3 4.35Å; P66-W513 HydrophobicContact CG-CE3 4.41Å; P66-W513 HydrophobicContact CG-CZ3 4.16Å; Y69-W513 HydrophobicContact CD2-CZ2 4.45Å; E282-W513 PolarHBondContact OE1-NE1 2.85Å; I286-W513 HydrophobicContact CD1-CZ2 4.2Å; I286-W513 HydrophobicContact CG1-CH2 4.39Å; I286-W513 HydrophobicContact CG1-CZ2 4.47Å; P509-W513 HydrophobicContact CB-CB 4.24Å; P509-W513 HydrophobicContact CB-CG 4.45Å; N510-W513 PolarHBondContact O-N 2.76Å; W511-W513 PolarHBondContact O-N 2.97Å; W513-M516 PolarHBondContact O-N 2.79Å; W513-W517 HydrophobicContact CB-CE3 4.31Å; W513-W517 HydrophobicContact CB-CH2 3.64Å; W513-W517 HydrophobicContact CB-CZ2 3.91Å; W513-W517 HydrophobicContact CB-CZ3 3.88Å; W513-W517 HydrophobicContact CD2-CZ2 4.5Å; W513-W517 HydrophobicContact CE3-CZ2 4.31Å; W513-W517 HydrophobicContact CG-CH2 4.22Å; W513-W517 HydrophobicContact CG-CZ2 4.38Å; W513-W517 VanDerWaalsContact O-CD2 3.31Å; W513-W517 PolarHBondContact O-N 3Å |
| 514 | K | 95.1 | Very high | 95.7 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | -179.7 | -66.2 | -174.9 | -70.4 | -169.3 | 0 | 112.6 | I494 W511 F512 G518 | I494-K514 HydrophobicContact CD1-CB 4.16Å; I494-K514 HydrophobicContact CD1-CG 4.33Å; W511-K514 PolarHBondContact O-N 3.48Å; F512-K514 VanDerWaalsContact C-N 3.25Å; F512-K514 PolarHBondContact O-N 3.2Å; K514-G518 WeakPolarHBondContact O-CA 3.4Å; K514-G518 PolarHBondContact O-N 3.1Å |
| 515 | I | 96.4 | Very high | 95.6 | Very high | 81 Ų | 81 | 53.8 Ų | 53.8 | 42% | 0.415 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 177 | -64.8 | -175.3 | 0 | 0 | 0 | 110.7 | W511 F512 G519 I520 | W511-I515 HydrophobicContact CE3-CD1 3.52Å; W511-I515 HydrophobicContact CE3-CG1 4.31Å; W511-I515 HydrophobicContact CZ3-CD1 3.76Å; W511-I515 WeakPolarHBondContact O-CG1 3.28Å; W511-I515 PolarHBondContact O-N 3.04Å; W511-I515 VanDerWaalsContact O-N 3.08Å; F512-I515 PolarHBondContact O-N 3.2Å; I515-G519 PolarHBondContact O-N 3.49Å; I515-G519 VanDerWaalsContact O-N 3.13Å; I515-I520 HydrophobicContact CG2-CD1 3.76Å; I515-I520 HydrophobicContact CG2-CG1 4.12Å; I515-I520 PolarHBondContact O-N 3.28Å; I515-I520 VanDerWaalsContact O-N 3.1Å |
| 516 | M | 96.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -59.7 | -58.7 | 176.2 | -66 | -57.6 | 116 | 0 | 0 | 111.1 | L62 P66 F512 W513 G518 I520 S521 P522 | L62-M516 HydrophobicContact CD2-CE 4.3Å; L62-M516 HydrophobicContact CD2-SD 4.01Å; P66-M516 HydrophobicContact CB-CB 3.76Å; P66-M516 HydrophobicContact CB-CG 4.21Å; P66-M516 HydrophobicContact CG-CB 3.82Å; P66-M516 HydrophobicContact CG-CG 3.7Å; P66-M516 HydrophobicContact CG-SD 4.43Å; F512-M516 HydrophobicContact CD1-CG 4.42Å; F512-M516 HydrophobicContact CD2-CE 4.14Å; F512-M516 HydrophobicContact CD2-CG 4.36Å; F512-M516 HydrophobicContact CE1-CG 4.02Å; F512-M516 HydrophobicContact CE2-CE 3.79Å; F512-M516 HydrophobicContact CE2-CG 3.96Å; F512-M516 HydrophobicContact CE2-SD 4.09Å; F512-M516 HydrophobicContact CZ-CE 4.45Å; F512-M516 HydrophobicContact CZ-CG 3.76Å; F512-M516 HydrophobicContact CZ-SD 4.17Å; F512-M516 WeakPolarHBondContact O-CG 3.35Å; F512-M516 PolarHBondContact O-N 2.82Å; W513-M516 PolarHBondContact O-N 2.79Å; M516-G518 PolarHBondContact O-N 2.87Å; M516-I520 HydrophobicContact CE-CB 4.13Å; M516-I520 HydrophobicContact CE-CD1 3.4Å; M516-I520 VanDerWaalsContact CE-CD1 3.4Å; M516-I520 HydrophobicContact CE-CG1 4.24Å; M516-I520 HydrophobicContact CE-CG2 4.26Å; M516-I520 PolarHBondContact O-N 3.4Å; M516-I520 HydrophobicContact SD-CB 4.08Å; M516-I520 HydrophobicContact SD-CD1 4.42Å; M516-I520 HydrophobicContact SD-CG2 3.92Å; M516-S521 WeakPolarHBondContact O-CB 3.3Å; M516-S521 PolarHBondContact O-N 2.78Å; M516-S521 PolarHBondContact O-OG 3.17Å; M516-P522 WeakPolarHBondContact O-CD 3.42Å |
| 517 | W | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -68.4 | -35.9 | -177.4 | -56.7 | -35.2 | 0 | 0 | 0 | 113.7 | P66 Y69 L70 V485 S489 F497 I501 P509 W513 P522 | P66-W517 PolarHBondContact O-NE1 2.89Å; Y69-W517 AromaticContact CD1-CH2 3.38Å; Y69-W517 HydrophobicContact CD1-CH2 3.38Å; Y69-W517 AromaticContact CD1-CZ2 3.16Å; Y69-W517 HydrophobicContact CD1-CZ2 3.16Å; Y69-W517 AromaticContact CE1-CH2 3.28Å; Y69-W517 HydrophobicContact CE1-CH2 3.28Å; Y69-W517 AromaticContact CE1-CZ2 3.63Å; Y69-W517 HydrophobicContact CE1-CZ2 3.63Å; Y69-W517 HydrophobicContact CE1-CZ3 4.46Å; Y69-W517 HydrophobicContact CG-CH2 4.36Å; Y69-W517 AromaticContact CG-CZ2 3.87Å; Y69-W517 HydrophobicContact CG-CZ2 3.87Å; L70-W517 HydrophobicContact CD1-CD2 4.43Å; L70-W517 HydrophobicContact CD1-CG 4.06Å; V485-W517 WeakPolarHBondContact CG1-O 3.38Å; S489-W517 WeakPolarHBondContact CB-O 3.43Å; S489-W517 VanDerWaalsContact OG-C 3.27Å; S489-W517 WeakPolarHBondContact OG-CB 3.5Å; S489-W517 PolarHBondContact OG-O 2.85Å; F497-W517 HydrophobicContact CD1-CE3 4.12Å; F497-W517 AromaticContact CD1-CZ3 3.94Å; F497-W517 HydrophobicContact CD1-CZ3 3.94Å; F497-W517 HydrophobicContact CE1-CD2 4.46Å; F497-W517 AromaticContact CE1-CE3 3.89Å; F497-W517 HydrophobicContact CE1-CE3 3.89Å; F497-W517 AromaticContact CE1-CH2 3.94Å; F497-W517 HydrophobicContact CE1-CH2 3.94Å; F497-W517 HydrophobicContact CE1-CZ2 4.48Å; F497-W517 AromaticContact CE1-CZ3 3.6Å; F497-W517 HydrophobicContact CE1-CZ3 3.6Å; I501-W517 HydrophobicContact CD1-CH2 4.11Å; I501-W517 HydrophobicContact CD1-CZ3 4.11Å; P509-W517 HydrophobicContact CB-CH2 4.47Å; P509-W517 HydrophobicContact CB-CZ3 4.39Å; W513-W517 HydrophobicContact CB-CE3 4.31Å; W513-W517 HydrophobicContact CB-CH2 3.64Å; W513-W517 HydrophobicContact CB-CZ2 3.91Å; W513-W517 HydrophobicContact CB-CZ3 3.88Å; W513-W517 HydrophobicContact CD2-CZ2 4.5Å; W513-W517 HydrophobicContact CE3-CZ2 4.31Å; W513-W517 HydrophobicContact CG-CH2 4.22Å; W513-W517 HydrophobicContact CG-CZ2 4.38Å; W513-W517 VanDerWaalsContact O-CD2 3.31Å; W513-W517 PolarHBondContact O-N 3Å; W517-P522 WeakPolarHBondContact O-CG 3.42Å |
| 518 | G | 94.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -84.2 | -10 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y490 K514 M516 | Y490-G518 PolarHBondContact OH-O 3.02Å; K514-G518 WeakPolarHBondContact O-CA 3.4Å; K514-G518 PolarHBondContact O-N 3.1Å; M516-G518 PolarHBondContact O-N 2.87Å |
| 519 | G | 95.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -157.3 | -59 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I515 P522 L523 | I515-G519 PolarHBondContact O-N 3.49Å; I515-G519 VanDerWaalsContact O-N 3.13Å; G519-P522 WeakPolarHBondContact O-CD 3.46Å; G519-L523 VanDerWaalsContact O-CB 3.32Å; G519-L523 WeakPolarHBondContact O-CB 3.45Å; G519-L523 PolarHBondContact O-N 3.25Å; G519-L523 VanDerWaalsContact O-N 3.14Å |
| 520 | I | 96.5 | Very high | 94.9 | Very high | 59 Ų | 59 | 51 Ų | 51 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -66.8 | -53.1 | -169.1 | -71.7 | 178.6 | 0 | 0 | 0 | 112 | L62 I515 M516 L523 L524 | L62-I520 HydrophobicContact CB-CG2 4.46Å; L62-I520 HydrophobicContact CD2-CG2 4.4Å; I515-I520 HydrophobicContact CG2-CD1 3.76Å; I515-I520 HydrophobicContact CG2-CG1 4.12Å; I515-I520 PolarHBondContact O-N 3.28Å; I515-I520 VanDerWaalsContact O-N 3.1Å; M516-I520 HydrophobicContact CE-CB 4.13Å; M516-I520 HydrophobicContact CE-CD1 3.4Å; M516-I520 VanDerWaalsContact CE-CD1 3.4Å; M516-I520 HydrophobicContact CE-CG1 4.24Å; M516-I520 HydrophobicContact CE-CG2 4.26Å; M516-I520 PolarHBondContact O-N 3.4Å; M516-I520 HydrophobicContact SD-CB 4.08Å; M516-I520 HydrophobicContact SD-CD1 4.42Å; M516-I520 HydrophobicContact SD-CG2 3.92Å; I520-L523 PolarHBondContact O-N 3.44Å; I520-L524 HydrophobicContact CG2-CD1 3.66Å; I520-L524 HydrophobicContact CG2-CG 4.28Å; I520-L524 WeakPolarHBondContact O-CB 3.23Å; I520-L524 WeakPolarHBondContact O-CG 3.36Å; I520-L524 PolarHBondContact O-N 3.14Å |
| 521 | S | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | -177.7 | -44.7 | 0 | 0 | 0 | 0 | 112.4 | L62 M516 L523 L524 L525 | L62-S521 PolarHBondContact O-OG 3.17Å; M516-S521 WeakPolarHBondContact O-CB 3.3Å; M516-S521 PolarHBondContact O-N 2.78Å; M516-S521 PolarHBondContact O-OG 3.17Å; S521-L523 PolarHBondContact O-N 3.42Å; S521-L524 PolarHBondContact O-N 3.24Å; S521-L525 WeakPolarHBondContact O-CB 3.47Å; S521-L525 WeakPolarHBondContact O-CD1 3.38Å; S521-L525 WeakPolarHBondContact O-CG 3.28Å; S521-L525 PolarHBondContact O-N 3.26Å |
| 522 | P | 95.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -43.3 | 173.5 | -25.4 | 33.3 | 0 | 0 | 0 | 114 | V485 M516 W517 G519 I526 | V485-P522 HydrophobicContact CG1-CG 3.65Å; M516-P522 WeakPolarHBondContact O-CD 3.42Å; W517-P522 WeakPolarHBondContact O-CG 3.42Å; G519-P522 WeakPolarHBondContact O-CD 3.46Å; P522-I526 WeakPolarHBondContact O-CB 3.3Å; P522-I526 WeakPolarHBondContact O-CD1 3.12Å; P522-I526 WeakPolarHBondContact O-CG1 3.47Å; P522-I526 PolarHBondContact O-N 3.45Å |
| 523 | L | 96.3 | Very high | 94.1 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 68% | 0.675 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.1 | -44.5 | -178.9 | -173.8 | 76.6 | 0 | 0 | 0 | 111.4 | G519 I520 S521 I526 G527 | G519-L523 VanDerWaalsContact O-CB 3.32Å; G519-L523 WeakPolarHBondContact O-CB 3.45Å; G519-L523 PolarHBondContact O-N 3.25Å; G519-L523 VanDerWaalsContact O-N 3.14Å; I520-L523 PolarHBondContact O-N 3.44Å; S521-L523 PolarHBondContact O-N 3.42Å; L523-I526 PolarHBondContact O-N 3.31Å; L523-G527 PolarHBondContact O-N 3.16Å |
| 524 | L | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.5 | -71.5 | 174.8 | 0 | 0 | 0 | 111.3 | L62 E63 I520 S521 I526 G527 L528 | L62-L524 HydrophobicContact CB-CD1 3.88Å; L62-L524 HydrophobicContact CD1-CD1 4.06Å; E63-L524 HydrophobicContact CG-CB 4.48Å; E63-L524 HydrophobicContact CG-CD1 4.21Å; E63-L524 WeakPolarHBondContact OE1-CB 3.39Å; I520-L524 HydrophobicContact CG2-CD1 3.66Å; I520-L524 HydrophobicContact CG2-CG 4.28Å; I520-L524 WeakPolarHBondContact O-CB 3.23Å; I520-L524 WeakPolarHBondContact O-CG 3.36Å; I520-L524 PolarHBondContact O-N 3.14Å; S521-L524 PolarHBondContact O-N 3.24Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 3.26Å; L524-G527 WeakPolarHBondContact O-CA 3.34Å; L524-G527 PolarHBondContact O-N 3.49Å; L524-G527 VanDerWaalsContact O-N 3.08Å; L524-L528 WeakPolarHBondContact O-CG 3.4Å; L524-L528 PolarHBondContact O-N 2.67Å |
| 525 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 176.7 | -73.8 | 168.3 | 0 | 0 | 0 | 112.6 | E63 F258 V481 L482 V485 S521 F529 | E63-L525 PolarHBondContact OE1-N 3.21Å; F258-L525 HydrophobicContact CE2-CD2 3.53Å; F258-L525 HydrophobicContact CZ-CD2 3.39Å; V481-L525 HydrophobicContact CG1-CD1 3.84Å; V481-L525 HydrophobicContact CG1-CD2 4.11Å; L482-L525 HydrophobicContact CB-CB 4.31Å; L482-L525 HydrophobicContact CB-CD1 4.46Å; L482-L525 HydrophobicContact CD1-CB 3.93Å; V485-L525 HydrophobicContact CG2-CD1 4.23Å; S521-L525 WeakPolarHBondContact O-CB 3.47Å; S521-L525 WeakPolarHBondContact O-CD1 3.38Å; S521-L525 WeakPolarHBondContact O-CG 3.28Å; S521-L525 PolarHBondContact O-N 3.26Å; L525-F529 VanDerWaalsContact O-CB 3.28Å; L525-F529 WeakPolarHBondContact O-CB 3.47Å; L525-F529 PolarHBondContact O-N 3.48Å |
| 526 | I | 95.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.9 | -70.6 | 165 | 0 | 0 | 0 | 110.3 | L482 P522 L523 L524 F529 L530 | L482-I526 HydrophobicContact CD1-CD1 4.34Å; L482-I526 HydrophobicContact CD1-CG1 3.77Å; L482-I526 HydrophobicContact CD2-CG1 3.94Å; P522-I526 WeakPolarHBondContact O-CB 3.3Å; P522-I526 WeakPolarHBondContact O-CD1 3.12Å; P522-I526 WeakPolarHBondContact O-CG1 3.47Å; P522-I526 PolarHBondContact O-N 3.45Å; L523-I526 PolarHBondContact O-N 3.31Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 3.26Å; I526-F529 PolarHBondContact O-N 3.28Å; I526-L530 HydrophobicContact CG2-CD1 4.08Å; I526-L530 HydrophobicContact CG2-CG 4.44Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.04Å; I526-L530 PolarHBondContact O-N 3.31Å |
| 527 | G | 93.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L523 L524 F529 L530 F531 | L523-G527 PolarHBondContact O-N 3.16Å; L524-G527 WeakPolarHBondContact O-CA 3.34Å; L524-G527 PolarHBondContact O-N 3.49Å; L524-G527 VanDerWaalsContact O-N 3.08Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3.15Å; G527-L530 PolarHBondContact O-N 2.98Å; G527-F531 WeakPolarHBondContact O-CD2 3.44Å; G527-F531 PolarHBondContact O-N 3.5Å |
| 528 | L | 91.4 | Very high | 92 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 177.7 | -70.3 | 172.6 | 0 | 0 | 0 | 111.9 | M59 I251 A254 L524 F531 Y532 | M59-L528 HydrophobicContact CE-CD2 4.45Å; I251-L528 HydrophobicContact CG1-CD2 4.21Å; A254-L528 HydrophobicContact CB-CD1 3.41Å; A254-L528 VanDerWaalsContact CB-CD1 3.41Å; A254-L528 HydrophobicContact CB-CD2 4.17Å; A254-L528 HydrophobicContact CB-CG 4.44Å; L524-L528 WeakPolarHBondContact O-CG 3.4Å; L524-L528 PolarHBondContact O-N 2.67Å; L528-F531 PolarHBondContact O-N 3.38Å; L528-Y532 VanDerWaalsContact O-CB 3.32Å; L528-Y532 WeakPolarHBondContact O-CB 3.27Å; L528-Y532 PolarHBondContact O-N 3.32Å |
| 529 | F | 91.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.9 | -179 | -98.9 | 0 | 0 | 0 | 112.1 | F475 L478 L479 L525 I526 G527 Y532 V533 | F475-F529 HydrophobicContact CD2-CE2 4.06Å; F475-F529 HydrophobicContact CE2-CD2 4.48Å; F475-F529 AromaticContact CE2-CE2 3.46Å; F475-F529 HydrophobicContact CE2-CE2 3.46Å; F475-F529 VanDerWaalsContact CE2-CE2 3.46Å; F475-F529 AromaticContact CE2-CZ 3.84Å; F475-F529 HydrophobicContact CE2-CZ 3.84Å; F475-F529 AromaticContact CZ-CE2 3.91Å; F475-F529 HydrophobicContact CZ-CE2 3.91Å; F475-F529 HydrophobicContact CZ-CZ 4.06Å; L478-F529 HydrophobicContact CB-CD2 4.26Å; L479-F529 HydrophobicContact CB-CE2 4.49Å; L479-F529 HydrophobicContact CD1-CD2 4.4Å; L479-F529 HydrophobicContact CD1-CE2 3.82Å; L479-F529 HydrophobicContact CD1-CZ 3.9Å; L525-F529 VanDerWaalsContact O-CB 3.28Å; L525-F529 WeakPolarHBondContact O-CB 3.47Å; L525-F529 PolarHBondContact O-N 3.48Å; I526-F529 PolarHBondContact O-N 3.28Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3.15Å; F529-Y532 PolarHBondContact O-N 3.47Å; F529-V533 HydrophobicContact CD1-CG2 4.42Å; F529-V533 HydrophobicContact CE1-CG2 4.01Å; F529-V533 HydrophobicContact CE2-CG2 4.36Å; F529-V533 HydrophobicContact CZ-CG2 3.98Å; F529-V533 WeakPolarHBondContact O-CG2 3.29Å; F529-V533 PolarHBondContact O-N 3.26Å |
| 530 | L | 92.1 | Very high | 90.7 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 177.1 | -68.2 | 175.8 | 0 | 0 | 0 | 111.5 | I526 G527 Y532 V533 I534 | I526-L530 HydrophobicContact CG2-CD1 4.08Å; I526-L530 HydrophobicContact CG2-CG 4.44Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.04Å; I526-L530 PolarHBondContact O-N 3.31Å; G527-L530 PolarHBondContact O-N 2.98Å; L530-Y532 VanDerWaalsContact C-N 3.34Å; L530-Y532 PolarHBondContact O-N 3.42Å; L530-V533 PolarHBondContact O-N 3.29Å; L530-I534 VanDerWaalsContact O-CG1 3.25Å; L530-I534 WeakPolarHBondContact O-CG1 3.36Å; L530-I534 PolarHBondContact O-N 3Å |
| 531 | F | 90.5 | Very high | 90.3 | Very high | 110 Ų | 110 | 63.2 Ų | 63.2 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 177.2 | -74.8 | -63.7 | 0 | 0 | 0 | 112.4 | P247 I251 G527 L528 I534 N535 | P247-F531 HydrophobicContact CB-CD1 4.47Å; I251-F531 HydrophobicContact CD1-CB 3.85Å; I251-F531 HydrophobicContact CG1-CB 4.43Å; G527-F531 WeakPolarHBondContact O-CD2 3.44Å; G527-F531 PolarHBondContact O-N 3.5Å; L528-F531 PolarHBondContact O-N 3.38Å; F531-I534 PolarHBondContact O-N 3.42Å; F531-N535 WeakPolarHBondContact O-CB 3.43Å; F531-N535 PolarHBondContact O-N 3.24Å |
| 532 | Y | 88.6 | Confident | 90 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 14% | 0.137 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.3 | -178.1 | -88.9 | 0 | 0 | 0 | 111.4 | I251 T474 F475 L478 L528 F529 L530 N535 Y536 | I251-Y532 HydrophobicContact CG2-CD2 4.1Å; T474-Y532 HydrophobicContact CG2-CE2 3.89Å; F475-Y532 HydrophobicContact CB-CE1 3.98Å; F475-Y532 AromaticContact CD2-CD1 3.85Å; F475-Y532 HydrophobicContact CD2-CD1 3.85Å; F475-Y532 AromaticContact CD2-CE1 3.58Å; F475-Y532 HydrophobicContact CD2-CE1 3.58Å; F475-Y532 HydrophobicContact CG-CE1 4.25Å; L478-Y532 HydrophobicContact CD1-CD2 4.36Å; L478-Y532 HydrophobicContact CD1-CG 4.08Å; L528-Y532 VanDerWaalsContact O-CB 3.32Å; L528-Y532 WeakPolarHBondContact O-CB 3.27Å; L528-Y532 PolarHBondContact O-N 3.32Å; F529-Y532 PolarHBondContact O-N 3.47Å; L530-Y532 VanDerWaalsContact C-N 3.34Å; L530-Y532 PolarHBondContact O-N 3.42Å; Y532-N535 PolarHBondContact O-N 3.15Å; Y532-Y536 WeakPolarHBondContact O-CB 3.41Å; Y532-Y536 PolarHBondContact O-N 3.27Å |
| 533 | V | 89.4 | Confident | 89.8 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.4 | F475 F529 L530 Y536 I537 | F475-V533 HydrophobicContact CE2-CG2 4.22Å; F529-V533 HydrophobicContact CD1-CG2 4.42Å; F529-V533 HydrophobicContact CE1-CG2 4.01Å; F529-V533 HydrophobicContact CE2-CG2 4.36Å; F529-V533 HydrophobicContact CZ-CG2 3.98Å; F529-V533 WeakPolarHBondContact O-CG2 3.29Å; F529-V533 PolarHBondContact O-N 3.26Å; L530-V533 PolarHBondContact O-N 3.29Å; V533-Y536 PolarHBondContact O-N 3.28Å; V533-I537 HydrophobicContact CG1-CD1 3.73Å; V533-I537 HydrophobicContact CG1-CG1 4.45Å; V533-I537 VanDerWaalsContact O-CG1 3.26Å; V533-I537 WeakPolarHBondContact O-CG1 3.34Å; V533-I537 PolarHBondContact O-N 3.38Å |
| 534 | I | 89.8 | Confident | 89.6 | Confident | 80 Ų | 80 | 61 Ų | 61 | 41% | 0.41 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.5 | -69.4 | 164.4 | 0 | 0 | 0 | 110.6 | L530 F531 Y536 I537 Q538 | L530-I534 VanDerWaalsContact O-CG1 3.25Å; L530-I534 WeakPolarHBondContact O-CG1 3.36Å; L530-I534 PolarHBondContact O-N 3Å; F531-I534 PolarHBondContact O-N 3.42Å; I534-Y536 VanDerWaalsContact C-N 3.32Å; I534-Y536 PolarHBondContact O-N 2.93Å; I534-I537 PolarHBondContact O-N 3.38Å; I534-Q538 HydrophobicContact CG2-CG 4.35Å; I534-Q538 WeakPolarHBondContact O-CB 3.06Å; I534-Q538 VanDerWaalsContact O-CG 3.32Å; I534-Q538 WeakPolarHBondContact O-CG 3.34Å; I534-Q538 PolarHBondContact O-N 3.44Å |
| 535 | N | 86.4 | Confident | 89.4 | Confident | 72 Ų | 72 | 63 Ų | 63 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 178.9 | -174.3 | -77.6 | 0 | 0 | 0 | 111.1 | F531 Y532 I537 Q538 G539 | F531-N535 WeakPolarHBondContact O-CB 3.43Å; F531-N535 PolarHBondContact O-N 3.24Å; Y532-N535 PolarHBondContact O-N 3.15Å; N535-I537 PolarHBondContact O-N 2.88Å; N535-Q538 PolarHBondContact O-N 3.35Å; N535-G539 WeakPolarHBondContact O-CA 3.36Å; N535-G539 PolarHBondContact O-N 2.91Å |
| 536 | Y | 85.1 | Confident | 89.3 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.4 | -173.9 | -95.3 | 0 | 0 | 0 | 112.6 | Y471 Y532 V533 I534 | Y471-Y536 HydrophobicContact CD1-CE2 4.48Å; Y471-Y536 HydrophobicContact CE1-CE2 4.09Å; Y532-Y536 WeakPolarHBondContact O-CB 3.41Å; Y532-Y536 PolarHBondContact O-N 3.27Å; V533-Y536 PolarHBondContact O-N 3.28Å; I534-Y536 VanDerWaalsContact C-N 3.32Å; I534-Y536 PolarHBondContact O-N 2.93Å |
| 537 | I | 87.2 | Confident | 89.2 | Confident | 127 Ų | 127 | 60 Ų | 60 | 65% | 0.651 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69 | -36.5 | 177.5 | -67.5 | 166.8 | 0 | 0 | 0 | 111.3 | V533 I534 N535 | V533-I537 HydrophobicContact CG1-CD1 3.73Å; V533-I537 HydrophobicContact CG1-CG1 4.45Å; V533-I537 VanDerWaalsContact O-CG1 3.26Å; V533-I537 WeakPolarHBondContact O-CG1 3.34Å; V533-I537 PolarHBondContact O-N 3.38Å; I534-I537 PolarHBondContact O-N 3.38Å; N535-I537 PolarHBondContact O-N 2.88Å |
| 538 | Q | 87.3 | Confident | 89.1 | Confident | 152 Ų | 152 | 60.9 Ų | 60.9 | 71% | 0.71 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78.9 | -26.8 | 179.6 | -71.6 | 177.9 | -16.3 | 0 | 0 | 113.4 | I534 N535 G540 | I534-Q538 HydrophobicContact CG2-CG 4.35Å; I534-Q538 WeakPolarHBondContact O-CB 3.06Å; I534-Q538 VanDerWaalsContact O-CG 3.32Å; I534-Q538 WeakPolarHBondContact O-CG 3.34Å; I534-Q538 PolarHBondContact O-N 3.44Å; N535-Q538 PolarHBondContact O-N 3.35Å; Q538-G540 PolarHBondContact O-N 3.46Å; Q538-G540 VanDerWaalsContact O-N 3.16Å |
| 539 | G | 79.6 | Confident | 89 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 60% | 0.598 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N535 | N535-G539 WeakPolarHBondContact O-CA 3.36Å; N535-G539 PolarHBondContact O-N 2.91Å |
| 540 | G | 84.9 | Confident | 89 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | trans | 73.9 | -146 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q538 | Q538-G540 PolarHBondContact O-N 3.46Å; Q538-G540 VanDerWaalsContact O-N 3.16Å | ||
| 541 | T | 86.8 | Confident | 88.8 | Confident | 65 Ų | 65 | 68.7 Ų | 68.7 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.6 | 131.4 | -179.2 | 38.2 | 0 | 0 | 0 | 0 | 110.7 | T543 E558 | T541-T543 PolarHBondContact O-N 3.41Å; T541-E558 PolarHBondContact OG1-OE1 3.43Å |
| 542 | P | 90.1 | Very high | 88.6 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | trans | -56.9 | 132.5 | 173.6 | -29.1 | 37.6 | 0 | 0 | 0 | 112.3 | Y559 I567 | P542-Y559 HydrophobicContact CB-CD2 3.74Å; P542-Y559 HydrophobicContact CB-CE2 4.44Å; P542-Y559 WeakPolarHBondContact O-CD2 3.43Å; P542-Y559 PolarHBondContact O-N 2.04Å; P542-I567 HydrophobicContact CB-CD1 4.03Å; P542-I567 HydrophobicContact CG-CD1 4.48Å | ||
| 543 | T | 91.8 | Very high | 88.6 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 161 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | T541 T557 E558 Y559 | T541-T543 PolarHBondContact O-N 3.41Å; T543-T557 CarbonylContact C-O 3.53Å; T543-T557 WeakPolarHBondContact CA-O 3.1Å; T543-T557 WeakPolarHBondContact CB-O 3.09Å; T543-E558 HydrophobicContact CG2-CG 4.23Å; T543-Y559 VanDerWaalsContact O-CE2 3.29Å; T543-Y559 WeakPolarHBondContact O-CE2 3.44Å |
| 544 | Y | 91.7 | Very high | 88.5 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 6% | 0.059 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.6 | 173.7 | 72.8 | -75 | 0 | 0 | 0 | 111.7 | I169 Y463 A546 T557 E558 Y559 | I169-Y544 HydrophobicContact CB-CE2 4.42Å; I169-Y544 HydrophobicContact CG2-CE1 4.27Å; I169-Y544 PolarHBondContact N-OH 2.96Å; Y463-Y544 AromaticContact CD1-CD2 3.52Å; Y463-Y544 HydrophobicContact CD1-CD2 3.52Å; Y463-Y544 AromaticContact CD1-CE2 3.56Å; Y463-Y544 HydrophobicContact CD1-CE2 3.56Å; Y463-Y544 HydrophobicContact CD2-CE2 4.22Å; Y463-Y544 HydrophobicContact CE1-CD2 4.05Å; Y463-Y544 AromaticContact CE1-CE2 3.87Å; Y463-Y544 HydrophobicContact CE1-CE2 3.87Å; Y463-Y544 HydrophobicContact CE2-CE2 4.47Å; Y463-Y544 AromaticContact CG-CD2 3.99Å; Y463-Y544 HydrophobicContact CG-CD2 3.99Å; Y463-Y544 AromaticContact CG-CE2 3.74Å; Y463-Y544 HydrophobicContact CG-CE2 3.74Å; Y544-A546 HydrophobicContact CD2-CB 4.48Å; Y544-A546 HydrophobicContact CE2-CB 3.88Å; Y544-T557 WeakPolarHBondContact CD1-O 3.46Å; Y544-T557 WeakPolarHBondContact CE1-OG1 3.33Å; Y544-T557 VanDerWaalsContact CZ-OG1 3.23Å; Y544-T557 PolarHBondContact N-O 2.94Å; Y544-T557 PolarHBondContact O-N 3.45Å; Y544-T557 PolarHBondContact O-OG1 3Å; Y544-T557 VanDerWaalsContact O-OG1 3.11Å; Y544-E558 WeakPolarHBondContact CE1-O 3.45Å; Y544-Y559 AromaticContact CD1-CD1 3.71Å; Y544-Y559 HydrophobicContact CD1-CD1 3.71Å; Y544-Y559 HydrophobicContact CD1-CD2 4.17Å; Y544-Y559 AromaticContact CD1-CE1 3.78Å; Y544-Y559 HydrophobicContact CD1-CE1 3.78Å; Y544-Y559 HydrophobicContact CD1-CE2 4.26Å; Y544-Y559 AromaticContact CD1-CG 3.92Å; Y544-Y559 HydrophobicContact CD1-CG 3.92Å; Y544-Y559 HydrophobicContact CE1-CD1 4.18Å; Y544-Y559 HydrophobicContact CG-CD1 4.33Å; Y544-Y559 AromaticContact CG-CE1 3.93Å; Y544-Y559 HydrophobicContact CG-CE1 3.93Å; Y544-Y559 HydrophobicContact CG-CE2 4.41Å; Y544-Y559 AromaticContact CG-CZ 4Å |
| 545 | Q | 90.8 | Very high | 88.5 | Confident | 92 Ų | 92 | 68 Ų | 68 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.6 | 179.5 | -63.6 | -67.3 | -14.3 | 0 | 0 | 110.4 | Y463 E555 | Y463-Q545 VanDerWaalsContact CE1-O 3.25Å; Y463-Q545 WeakPolarHBondContact CE1-O 3.32Å; Q545-E555 WeakPolarHBondContact CA-O 3.27Å |
| 546 | A | 92.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 5% | 0.05 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y463 Y544 N548 S554 E555 T557 | Y463-A546 HydrophobicContact CE1-CB 4.48Å; Y544-A546 HydrophobicContact CD2-CB 4.48Å; Y544-A546 HydrophobicContact CE2-CB 3.88Å; A546-N548 PolarHBondContact O-N 3.48Å; A546-S554 CarbonylContact O-C 3.41Å; A546-S554 VanDerWaalsContact O-CA 3.27Å; A546-S554 WeakPolarHBondContact O-CA 3.37Å; A546-E555 PolarHBondContact N-O 2.71Å; A546-E555 PolarHBondContact O-N 3.4Å; A546-T557 HydrophobicContact CB-CG2 3.76Å; A546-T557 WeakPolarHBondContact CB-OG1 3.48Å |
| 547 | W | 92.4 | Very high | 89 | Confident | 6 Ų | 6 | 69 Ų | 69 | 2% | 0.023 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.5 | -179.4 | -177.7 | -107.6 | 0 | 0 | 0 | 111.7 | E147 A151 Q155 Y159 I165 Y463 G552 | E147-W547 PolarHBondContact OE1-NE1 3.2Å; A151-W547 HydrophobicContact CB-CH2 3.91Å; A151-W547 HydrophobicContact CB-CZ2 4.15Å; Q155-W547 HydrophobicContact CB-CH2 4.19Å; Y159-W547 HydrophobicContact CD1-CB 4.09Å; Y159-W547 AromaticContact CD1-CD2 3.99Å; Y159-W547 HydrophobicContact CD1-CD2 3.99Å; Y159-W547 HydrophobicContact CD1-CE3 4.02Å; Y159-W547 HydrophobicContact CD1-CG 4.04Å; Y159-W547 AromaticContact CD2-CD2 3.79Å; Y159-W547 HydrophobicContact CD2-CD2 3.79Å; Y159-W547 AromaticContact CD2-CE3 3.41Å; Y159-W547 HydrophobicContact CD2-CE3 3.41Å; Y159-W547 VanDerWaalsContact CD2-CE3 3.41Å; Y159-W547 AromaticContact CD2-CH2 3.74Å; Y159-W547 HydrophobicContact CD2-CH2 3.74Å; Y159-W547 HydrophobicContact CD2-CZ2 4.1Å; Y159-W547 AromaticContact CD2-CZ3 3.38Å; Y159-W547 HydrophobicContact CD2-CZ3 3.38Å; Y159-W547 HydrophobicContact CE1-CB 4.36Å; Y159-W547 HydrophobicContact CE1-CD2 4.42Å; Y159-W547 HydrophobicContact CE1-CE3 4.04Å; Y159-W547 HydrophobicContact CE2-CD2 4.27Å; Y159-W547 AromaticContact CE2-CE3 3.46Å; Y159-W547 HydrophobicContact CE2-CE3 3.46Å; Y159-W547 VanDerWaalsContact CE2-CE3 3.46Å; Y159-W547 HydrophobicContact CE2-CH2 4.16Å; Y159-W547 AromaticContact CE2-CZ3 3.4Å; Y159-W547 HydrophobicContact CE2-CZ3 3.4Å; Y159-W547 AromaticContact CG-CD2 3.64Å; Y159-W547 HydrophobicContact CG-CD2 3.64Å; Y159-W547 AromaticContact CG-CE3 3.7Å; Y159-W547 HydrophobicContact CG-CE3 3.7Å; Y159-W547 HydrophobicContact CG-CG 4.04Å; Y159-W547 HydrophobicContact CG-CH2 4.46Å; Y159-W547 HydrophobicContact CG-CZ2 4.42Å; Y159-W547 HydrophobicContact CG-CZ3 4.13Å; Y159-W547 AromaticContact CZ-CE3 3.77Å; I165-W547 HydrophobicContact CD1-CB 4.29Å; I165-W547 HydrophobicContact CG2-CB 3.64Å; I165-W547 HydrophobicContact CG2-CG 3.77Å; Y463-W547 PolarHBondContact OH-N 3.08Å; W547-G552 WeakPolarHBondContact CH2-O 3.22Å |
| 548 | N | 92.5 | Very high | 89.3 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 108.1 | 172.9 | -170.8 | -28.2 | 0 | 0 | 0 | 110.1 | A546 D550 L551 G552 K553 E555 | A546-N548 PolarHBondContact O-N 3.48Å; N548-D550 VanDerWaalsContact C-N 3.3Å; N548-D550 PolarHBondContact O-N 3.5Å; N548-D550 PolarHBondContact OD1-N 2.94Å; N548-L551 HydrophobicContact CB-CB 4.46Å; N548-L551 PolarHBondContact O-N 2.86Å; N548-G552 PolarHBondContact O-N 3.19Å; N548-K553 WeakPolarHBondContact CB-O 3.43Å; N548-K553 PolarHBondContact N-O 2.92Å; N548-K553 PolarHBondContact O-N 3.25Å; N548-E555 HydrophobicContact CB-CG 4.31Å; N548-E555 PolarHBondContact ND2-OE2 2.93Å |
| 549 | K | 89.6 | Confident | 89.7 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 47% | 0.47 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.8 | -179.2 | 172 | 173.7 | -177.7 | -164.1 | 0 | 112.9 | E147 L551 | E147-K549 HydrophobicContact CB-CG 4.38Å; E147-K549 HydrophobicContact CG-CG 4Å; E147-K549 VanDerWaalsContact OE2-CE 3.27Å; E147-K549 WeakPolarHBondContact OE2-CE 3.34Å; K549-L551 VanDerWaalsContact C-N 3.33Å |
| 550 | D | 90.3 | Very high | 90.4 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 62% | 0.62 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -29.3 | -171.6 | -60.6 | -37.7 | 0 | 0 | 0 | 111.7 | K150 N548 | K150-D550 WeakPolarHBondContact CD-O 3.41Å; K150-D550 PolarHBondContact NZ-O 3.5Å; N548-D550 VanDerWaalsContact C-N 3.3Å; N548-D550 PolarHBondContact O-N 3.5Å; N548-D550 PolarHBondContact OD1-N 2.94Å |
| 551 | L | 87.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -17.3 | 176.6 | -62.7 | 176.8 | 0 | 0 | 0 | 113.5 | N548 K549 K553 E555 | N548-L551 HydrophobicContact CB-CB 4.46Å; N548-L551 PolarHBondContact O-N 2.86Å; K549-L551 VanDerWaalsContact C-N 3.33Å; L551-K553 VanDerWaalsContact C-N 3.26Å; L551-K553 PolarHBondContact O-N 3.29Å; L551-E555 WeakPolarHBondContact CD1-OE1 3.44Å |
| 552 | G | 86.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 27.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A151 W547 N548 | A151-G552 WeakPolarHBondContact CB-O 3.44Å; W547-G552 WeakPolarHBondContact CH2-O 3.22Å; N548-G552 PolarHBondContact O-N 3.19Å |
| 553 | K | 87.6 | Confident | 91.3 | Very high | 136 Ų | 136 | 63.1 Ų | 63.1 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156 | -176.5 | -68.3 | -176.1 | -178.9 | 178.9 | 0 | 111.1 | N548 L551 | N548-K553 WeakPolarHBondContact CB-O 3.43Å; N548-K553 PolarHBondContact N-O 2.92Å; N548-K553 PolarHBondContact O-N 3.25Å; L551-K553 VanDerWaalsContact C-N 3.26Å; L551-K553 PolarHBondContact O-N 3.29Å |
| 554 | S | 88.2 | Confident | 91.4 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.8 | 170.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | Y159 A546 | Y159-S554 PolarHBondContact OH-OG 2.91Å; Y159-S554 VanDerWaalsContact OH-OG 3.12Å; A546-S554 CarbonylContact O-C 3.41Å; A546-S554 VanDerWaalsContact O-CA 3.27Å; A546-S554 WeakPolarHBondContact O-CA 3.37Å |
| 555 | E | 90 | Very high | 91.5 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145 | 178.4 | -63.6 | -176.2 | 132.6 | 0 | 0 | 110.4 | Q545 A546 N548 L551 T557 | Q545-E555 WeakPolarHBondContact CA-O 3.27Å; A546-E555 PolarHBondContact N-O 2.71Å; A546-E555 PolarHBondContact O-N 3.4Å; N548-E555 HydrophobicContact CB-CG 4.31Å; N548-E555 PolarHBondContact ND2-OE2 2.93Å; L551-E555 WeakPolarHBondContact CD1-OE1 3.44Å; E555-T557 PolarHBondContact O-N 2.99Å |
| 556 | Q | 90 | Very high | 91.7 | Very high | 140 Ų | 140 | 64.9 Ų | 64.9 | 65% | 0.654 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.8 | 173.7 | -74.8 | -169 | 17.5 | 0 | 0 | 110.2 | ||
| 557 | T | 91.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.9 | -179.8 | 57 | 0 | 0 | 0 | 0 | 110.1 | T543 Y544 A546 E555 | T543-T557 CarbonylContact C-O 3.53Å; T543-T557 WeakPolarHBondContact CA-O 3.1Å; T543-T557 WeakPolarHBondContact CB-O 3.09Å; Y544-T557 WeakPolarHBondContact CD1-O 3.46Å; Y544-T557 WeakPolarHBondContact CE1-OG1 3.33Å; Y544-T557 VanDerWaalsContact CZ-OG1 3.23Å; Y544-T557 PolarHBondContact N-O 2.94Å; Y544-T557 PolarHBondContact O-N 3.45Å; Y544-T557 PolarHBondContact O-OG1 3Å; Y544-T557 VanDerWaalsContact O-OG1 3.11Å; A546-T557 HydrophobicContact CB-CG2 3.76Å; A546-T557 WeakPolarHBondContact CB-OG1 3.48Å; E555-T557 PolarHBondContact O-N 2.99Å |
| 558 | E | 94.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 143.2 | 178.1 | -62.1 | -170.1 | 146.7 | 0 | 0 | 111.4 | T541 T543 Y544 | T541-E558 PolarHBondContact OG1-OE1 3.43Å; T543-E558 HydrophobicContact CG2-CG 4.23Å; Y544-E558 WeakPolarHBondContact CE1-O 3.45Å |
| 559 | Y | 94.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 69 Ų | 69 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 134.1 | 169.8 | -80.5 | -74.4 | 0 | 0 | 0 | 110.2 | I169 M467 Y471 P542 T543 Y544 Q564 I567 | I169-Y559 HydrophobicContact CD1-CD1 4.31Å; I169-Y559 HydrophobicContact CD1-CE1 4.09Å; M467-Y559 HydrophobicContact CB-CE1 4.27Å; M467-Y559 HydrophobicContact CE-CD1 3.53Å; M467-Y559 HydrophobicContact CE-CE1 3.33Å; M467-Y559 HydrophobicContact CE-CG 4.47Å; M467-Y559 HydrophobicContact CG-CE1 4.5Å; Y471-Y559 HydrophobicContact CE2-CE2 4.05Å; P542-Y559 HydrophobicContact CB-CD2 3.74Å; P542-Y559 HydrophobicContact CB-CE2 4.44Å; P542-Y559 WeakPolarHBondContact O-CD2 3.43Å; P542-Y559 PolarHBondContact O-N 2.04Å; T543-Y559 VanDerWaalsContact O-CE2 3.29Å; T543-Y559 WeakPolarHBondContact O-CE2 3.44Å; Y544-Y559 AromaticContact CD1-CD1 3.71Å; Y544-Y559 HydrophobicContact CD1-CD1 3.71Å; Y544-Y559 HydrophobicContact CD1-CD2 4.17Å; Y544-Y559 AromaticContact CD1-CE1 3.78Å; Y544-Y559 HydrophobicContact CD1-CE1 3.78Å; Y544-Y559 HydrophobicContact CD1-CE2 4.26Å; Y544-Y559 AromaticContact CD1-CG 3.92Å; Y544-Y559 HydrophobicContact CD1-CG 3.92Å; Y544-Y559 HydrophobicContact CE1-CD1 4.18Å; Y544-Y559 HydrophobicContact CG-CD1 4.33Å; Y544-Y559 AromaticContact CG-CE1 3.93Å; Y544-Y559 HydrophobicContact CG-CE1 3.93Å; Y544-Y559 HydrophobicContact CG-CE2 4.41Å; Y544-Y559 AromaticContact CG-CZ 4Å; Y559-Q564 PolarHBondContact O-NE2 2.99Å; Y559-I567 HydrophobicContact CD2-CD1 3.86Å; Y559-I567 HydrophobicContact CE2-CD1 4.07Å; Y559-I567 HydrophobicContact CG-CD1 4.15Å |
| 560 | P | 94.7 | Very high | 91.9 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 162.3 | 173.4 | 29.2 | -36.3 | 0 | 0 | 0 | 110.9 | I169 E170 F562 G563 Q564 | I169-P560 HydrophobicContact CG2-CG 3.62Å; E170-P560 HydrophobicContact CG-CB 4.23Å; E170-P560 HydrophobicContact CG-CG 3.96Å; E170-P560 WeakPolarHBondContact OE1-CB 3.31Å; P560-F562 VanDerWaalsContact C-N 3.27Å; P560-F562 HydrophobicContact CB-CD1 3.87Å; P560-F562 HydrophobicContact CB-CE1 3.61Å; P560-F562 HydrophobicContact CB-CZ 4.34Å; P560-F562 HydrophobicContact CG-CD1 3.81Å; P560-F562 HydrophobicContact CG-CE1 3.23Å; P560-F562 HydrophobicContact CG-CE2 4.22Å; P560-F562 HydrophobicContact CG-CZ 3.46Å; P560-F562 VanDerWaalsContact CG-CZ 3.46Å; P560-F562 PolarHBondContact O-N 3.36Å; P560-F562 VanDerWaalsContact O-N 3.15Å; P560-G563 WeakPolarHBondContact O-CA 3.25Å; P560-G563 PolarHBondContact O-N 3.29Å; P560-Q564 PolarHBondContact O-N 2.87Å |
| 561 | V | 93.8 | Very high | 91.8 | Very high | 119 Ų | 119 | 59.5 Ų | 59.5 | 72% | 0.721 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.2 | -40.4 | -174 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | G563 Q564 A565 | V561-G563 VanDerWaalsContact C-N 3.31Å; V561-G563 PolarHBondContact O-N 3.28Å; V561-Q564 PolarHBondContact O-N 3.34Å; V561-A565 WeakPolarHBondContact O-CB 3.4Å; V561-A565 PolarHBondContact O-N 3.38Å |
| 562 | F | 94.2 | Very high | 92 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 176.5 | 73.8 | -95.1 | 0 | 0 | 0 | 112.2 | I169 E170 W464 P560 A565 F566 | I169-F562 HydrophobicContact CG2-CZ 4.2Å; E170-F562 HydrophobicContact CB-CE1 4.43Å; E170-F562 HydrophobicContact CG-CE1 3.79Å; E170-F562 HydrophobicContact CG-CZ 4.06Å; W464-F562 HydrophobicContact CH2-CD2 4.4Å; W464-F562 HydrophobicContact CH2-CE2 4.04Å; W464-F562 HydrophobicContact CZ2-CE2 4.04Å; P560-F562 VanDerWaalsContact C-N 3.27Å; P560-F562 HydrophobicContact CB-CD1 3.87Å; P560-F562 HydrophobicContact CB-CE1 3.61Å; P560-F562 HydrophobicContact CB-CZ 4.34Å; P560-F562 HydrophobicContact CG-CD1 3.81Å; P560-F562 HydrophobicContact CG-CE1 3.23Å; P560-F562 HydrophobicContact CG-CE2 4.22Å; P560-F562 HydrophobicContact CG-CZ 3.46Å; P560-F562 VanDerWaalsContact CG-CZ 3.46Å; P560-F562 PolarHBondContact O-N 3.36Å; P560-F562 VanDerWaalsContact O-N 3.15Å; F562-A565 PolarHBondContact O-N 3.27Å; F562-F566 WeakPolarHBondContact O-CB 3.5Å; F562-F566 PolarHBondContact O-N 3.05Å |
| 563 | G | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | P560 V561 F566 I567 | P560-G563 WeakPolarHBondContact O-CA 3.25Å; P560-G563 PolarHBondContact O-N 3.29Å; V561-G563 VanDerWaalsContact C-N 3.31Å; V561-G563 PolarHBondContact O-N 3.28Å; G563-F566 WeakPolarHBondContact O-CB 3.23Å; G563-F566 PolarHBondContact O-N 3.13Å; G563-I567 WeakPolarHBondContact O-CG1 3.48Å; G563-I567 PolarHBondContact O-N 3.33Å |
| 564 | Q | 93.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.9 | -62 | -180 | 8.7 | 0 | 0 | 112 | Y559 P560 V561 F566 I567 G568 | Y559-Q564 PolarHBondContact O-NE2 2.99Å; P560-Q564 PolarHBondContact O-N 2.87Å; V561-Q564 PolarHBondContact O-N 3.34Å; Q564-F566 VanDerWaalsContact C-N 3.28Å; Q564-F566 PolarHBondContact O-N 3.37Å; Q564-I567 PolarHBondContact O-N 3.05Å; Q564-G568 PolarHBondContact O-N 2.72Å |
| 565 | A | 94.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 54 Ų | 54 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V561 F562 G568 L569 | V561-A565 WeakPolarHBondContact O-CB 3.4Å; V561-A565 PolarHBondContact O-N 3.38Å; F562-A565 PolarHBondContact O-N 3.27Å; A565-G568 PolarHBondContact O-N 3.48Å; A565-L569 PolarHBondContact O-N 2.7Å |
| 566 | F | 94.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.4 | -162.8 | -87.6 | 0 | 0 | 0 | 112.4 | W464 M467 F468 F562 G563 Q564 G568 L569 L570 | W464-F566 AromaticContact CZ3-CD1 3.91Å; W464-F566 HydrophobicContact CZ3-CD1 3.91Å; W464-F566 HydrophobicContact CZ3-CD2 4.28Å; W464-F566 HydrophobicContact CZ3-CE1 4.1Å; W464-F566 HydrophobicContact CZ3-CE2 4.46Å; W464-F566 AromaticContact CZ3-CG 4Å; W464-F566 HydrophobicContact CZ3-CG 4Å; W464-F566 HydrophobicContact CZ3-CZ 4.37Å; M467-F566 HydrophobicContact SD-CB 4.32Å; M467-F566 HydrophobicContact SD-CD1 3.62Å; M467-F566 HydrophobicContact SD-CE1 4.43Å; M467-F566 HydrophobicContact SD-CG 4.37Å; F468-F566 AromaticContact CE2-CE1 3.57Å; F468-F566 HydrophobicContact CE2-CE1 3.57Å; F468-F566 HydrophobicContact CE2-CZ 4.12Å; F468-F566 AromaticContact CZ-CE1 3.82Å; F468-F566 HydrophobicContact CZ-CE1 3.82Å; F468-F566 HydrophobicContact CZ-CZ 4.1Å; F562-F566 WeakPolarHBondContact O-CB 3.5Å; F562-F566 PolarHBondContact O-N 3.05Å; G563-F566 WeakPolarHBondContact O-CB 3.23Å; G563-F566 PolarHBondContact O-N 3.13Å; Q564-F566 VanDerWaalsContact C-N 3.28Å; Q564-F566 PolarHBondContact O-N 3.37Å; F566-G568 VanDerWaalsContact C-N 3.33Å; F566-G568 PolarHBondContact O-N 3.35Å; F566-L569 WeakPolarHBondContact O-CB 3.31Å; F566-L569 PolarHBondContact O-N 3.13Å; F566-L569 VanDerWaalsContact O-N 3.16Å; F566-L570 HydrophobicContact CD1-CD1 3.79Å; F566-L570 HydrophobicContact CD1-CG 3.87Å; F566-L570 HydrophobicContact CE1-CD1 3.75Å; F566-L570 HydrophobicContact CE1-CD2 3.89Å; F566-L570 HydrophobicContact CE1-CG 3.72Å; F566-L570 WeakPolarHBondContact O-CG 3.23Å; F566-L570 PolarHBondContact O-N 2.84Å |
| 567 | I | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 171.2 | -69.1 | 164.9 | 0 | 0 | 0 | 110 | M467 Y471 P542 Y559 G563 Q564 L569 L570 L571 | M467-I567 HydrophobicContact CE-CD1 4.4Å; M467-I567 HydrophobicContact CE-CG1 4.24Å; M467-I567 HydrophobicContact CG-CD1 4.24Å; M467-I567 HydrophobicContact CG-CG1 3.65Å; M467-I567 HydrophobicContact SD-CG1 3.86Å; Y471-I567 HydrophobicContact CD1-CG2 3.96Å; Y471-I567 HydrophobicContact CD2-CD1 3.84Å; Y471-I567 HydrophobicContact CD2-CG1 3.87Å; Y471-I567 HydrophobicContact CD2-CG2 4.13Å; Y471-I567 HydrophobicContact CE1-CG2 4.49Å; Y471-I567 HydrophobicContact CE2-CD1 3.7Å; Y471-I567 HydrophobicContact CE2-CG1 4.27Å; Y471-I567 HydrophobicContact CG-CG1 4.33Å; Y471-I567 HydrophobicContact CG-CG2 3.76Å; P542-I567 HydrophobicContact CB-CD1 4.03Å; P542-I567 HydrophobicContact CG-CD1 4.48Å; Y559-I567 HydrophobicContact CD2-CD1 3.86Å; Y559-I567 HydrophobicContact CE2-CD1 4.07Å; Y559-I567 HydrophobicContact CG-CD1 4.15Å; G563-I567 WeakPolarHBondContact O-CG1 3.48Å; G563-I567 PolarHBondContact O-N 3.33Å; Q564-I567 PolarHBondContact O-N 3.05Å; I567-L569 VanDerWaalsContact C-N 3.29Å; I567-L569 PolarHBondContact O-N 3.22Å; I567-L570 WeakPolarHBondContact O-CB 3.39Å; I567-L570 PolarHBondContact O-N 3.1Å; I567-L570 VanDerWaalsContact O-N 3.17Å; I567-L571 HydrophobicContact CG2-CD1 4.08Å; I567-L571 HydrophobicContact CG2-CG 4.49Å; I567-L571 WeakPolarHBondContact O-CG 3.46Å; I567-L571 PolarHBondContact O-N 3.5Å |
| 568 | G | 91.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 44 Ų | 44 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q564 A565 F566 L571 V572 | Q564-G568 PolarHBondContact O-N 2.72Å; A565-G568 PolarHBondContact O-N 3.48Å; F566-G568 VanDerWaalsContact C-N 3.33Å; F566-G568 PolarHBondContact O-N 3.35Å; G568-L571 PolarHBondContact O-N 3.22Å; G568-V572 WeakPolarHBondContact O-CB 3.37Å; G568-V572 VanDerWaalsContact O-CG2 3.29Å; G568-V572 WeakPolarHBondContact O-CG2 3.41Å; G568-V572 PolarHBondContact O-N 3.32Å |
| 569 | L | 92.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 56% | 0.555 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64 | -43.1 | 175.7 | -176.7 | 67.4 | 0 | 0 | 0 | 112.3 | A565 F566 I567 L571 V572 S573 | A565-L569 PolarHBondContact O-N 2.7Å; F566-L569 WeakPolarHBondContact O-CB 3.31Å; F566-L569 PolarHBondContact O-N 3.13Å; F566-L569 VanDerWaalsContact O-N 3.16Å; I567-L569 VanDerWaalsContact C-N 3.29Å; I567-L569 PolarHBondContact O-N 3.22Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.47Å; L569-V572 PolarHBondContact O-N 3.43Å; L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 3.48Å; L569-S573 PolarHBondContact O-OG 3.3Å |
| 570 | L | 92.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 176.8 | -74.5 | 174.8 | 0 | 0 | 0 | 111.5 | Y106 M467 F468 F566 I567 S573 | Y106-L570 HydrophobicContact CE1-CD2 4.4Å; Y106-L570 HydrophobicContact CE2-CD2 4.24Å; M467-L570 HydrophobicContact CG-CD1 4.29Å; M467-L570 HydrophobicContact SD-CD1 4.45Å; F468-L570 HydrophobicContact CD1-CD2 4.22Å; F468-L570 HydrophobicContact CD2-CD1 4.26Å; F468-L570 HydrophobicContact CE1-CD2 3.65Å; F468-L570 HydrophobicContact CE2-CD1 4.3Å; F468-L570 HydrophobicContact CE2-CD2 4.36Å; F468-L570 HydrophobicContact CG-CD1 4.45Å; F468-L570 HydrophobicContact CZ-CD1 4.48Å; F468-L570 HydrophobicContact CZ-CD2 3.74Å; F566-L570 HydrophobicContact CD1-CD1 3.79Å; F566-L570 HydrophobicContact CD1-CG 3.87Å; F566-L570 HydrophobicContact CE1-CD1 3.75Å; F566-L570 HydrophobicContact CE1-CD2 3.89Å; F566-L570 HydrophobicContact CE1-CG 3.72Å; F566-L570 WeakPolarHBondContact O-CG 3.23Å; F566-L570 PolarHBondContact O-N 2.84Å; I567-L570 WeakPolarHBondContact O-CB 3.39Å; I567-L570 PolarHBondContact O-N 3.1Å; I567-L570 VanDerWaalsContact O-N 3.17Å; L570-S573 PolarHBondContact O-OG 3.24Å |
| 571 | L | 89.4 | Confident | 93.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 179.2 | -63.8 | 172.4 | 0 | 0 | 0 | 112 | Y471 F475 I567 G568 L569 | Y471-L571 WeakPolarHBondContact O-CD2 3.25Å; F475-L571 HydrophobicContact CB-CD2 3.48Å; F475-L571 VanDerWaalsContact CB-CD2 3.48Å; F475-L571 HydrophobicContact CD1-CB 4.19Å; F475-L571 HydrophobicContact CD1-CD2 3.84Å; F475-L571 HydrophobicContact CG-CD2 3.84Å; I567-L571 HydrophobicContact CG2-CD1 4.08Å; I567-L571 HydrophobicContact CG2-CG 4.49Å; I567-L571 WeakPolarHBondContact O-CG 3.46Å; I567-L571 PolarHBondContact O-N 3.5Å; G568-L571 PolarHBondContact O-N 3.22Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.47Å |
| 572 | V | 91.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.9 | -37.7 | -175.5 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | G568 L569 S574 V575 S576 | G568-V572 WeakPolarHBondContact O-CB 3.37Å; G568-V572 VanDerWaalsContact O-CG2 3.29Å; G568-V572 WeakPolarHBondContact O-CG2 3.41Å; G568-V572 PolarHBondContact O-N 3.32Å; L569-V572 PolarHBondContact O-N 3.43Å; V572-S574 PolarHBondContact O-N 2.88Å; V572-V575 PolarHBondContact O-N 2.76Å; V572-S576 WeakPolarHBondContact O-CB 3.2Å; V572-S576 PolarHBondContact O-N 2.8Å; V572-S576 PolarHBondContact O-OG 2.91Å |
| 573 | S | 93.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | -174.3 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | Y106 L569 L570 S576 C577 | Y106-S573 VanDerWaalsContact OH-CB 3.28Å; Y106-S573 WeakPolarHBondContact OH-CB 3.33Å; Y106-S573 PolarHBondContact OH-OG 3.39Å; L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 3.48Å; L569-S573 PolarHBondContact O-OG 3.3Å; L570-S573 PolarHBondContact O-OG 3.24Å; S573-S576 PolarHBondContact O-OG 3.36Å; S573-C577 PolarHBondContact O-SG 2.99Å |
| 574 | S | 91.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74 | -52.8 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | A99 T103 S476 V572 S576 C577 | A99-S574 VanDerWaalsContact CB-O 3.32Å; A99-S574 WeakPolarHBondContact CB-O 3.25Å; A99-S574 PolarHBondContact O-OG 3.42Å; T103-S574 PolarHBondContact OG1-OG 2.82Å; S476-S574 WeakPolarHBondContact OG-CB 3.25Å; V572-S574 PolarHBondContact O-N 2.88Å; S574-S576 PolarHBondContact O-N 3.28Å; S574-C577 WeakPolarHBondContact O-CB 3.34Å; S574-C577 PolarHBondContact O-N 2.97Å; S574-C577 PolarHBondContact O-SG 3.38Å |
| 575 | V | 90.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | -173.5 | 163.8 | 0 | 0 | 0 | 0 | 113.1 | F475 L479 V572 C577 I578 P579 | F475-V575 HydrophobicContact CD1-CG2 3.93Å; F475-V575 HydrophobicContact CE1-CB 4.49Å; F475-V575 HydrophobicContact CE1-CG2 3.76Å; L479-V575 HydrophobicContact CB-CG2 4.49Å; L479-V575 HydrophobicContact CD2-CB 3.98Å; L479-V575 HydrophobicContact CD2-CG1 3.3Å; L479-V575 HydrophobicContact CD2-CG2 3.68Å; V572-V575 PolarHBondContact O-N 2.76Å; V575-C577 PolarHBondContact O-N 3.29Å; V575-I578 PolarHBondContact O-N 2.67Å; V575-P579 VanDerWaalsContact O-CD 3.22Å; V575-P579 WeakPolarHBondContact O-CD 3.28Å |
| 576 | S | 94.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.5 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | V572 S573 S574 I578 P579 L580 | V572-S576 WeakPolarHBondContact O-CB 3.2Å; V572-S576 PolarHBondContact O-N 2.8Å; V572-S576 PolarHBondContact O-OG 2.91Å; S573-S576 PolarHBondContact O-OG 3.36Å; S574-S576 PolarHBondContact O-N 3.28Å; S576-I578 PolarHBondContact O-N 3.47Å; S576-P579 VanDerWaalsContact O-CD 3.26Å; S576-P579 WeakPolarHBondContact O-CD 3.43Å; S576-P579 WeakPolarHBondContact O-CG 3.5Å; S576-L580 WeakPolarHBondContact O-CB 3.46Å; S576-L580 WeakPolarHBondContact O-CG 3.38Å; S576-L580 PolarHBondContact O-N 3.48Å |
| 577 | C | 95.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.4 | -36.1 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | G95 L98 A99 S573 S574 V575 T581 | G95-C577 WeakPolarHBondContact CA-O 3.18Å; L98-C577 HydrophobicContact CB-CB 4.2Å; L98-C577 HydrophobicContact CD2-CB 4.08Å; L98-C577 HydrophobicContact CG-CB 4.08Å; A99-C577 HydrophobicContact CB-CB 4.05Å; S573-C577 PolarHBondContact O-SG 2.99Å; S574-C577 WeakPolarHBondContact O-CB 3.34Å; S574-C577 PolarHBondContact O-N 2.97Å; S574-C577 PolarHBondContact O-SG 3.38Å; V575-C577 PolarHBondContact O-N 3.29Å; C577-T581 VanDerWaalsContact O-CB 3.23Å; C577-T581 WeakPolarHBondContact O-CB 3.25Å; C577-T581 PolarHBondContact O-N 2.94Å; C577-T581 VanDerWaalsContact O-N 3.13Å; C577-T581 PolarHBondContact O-OG1 2.8Å |
| 578 | I | 95.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -63 | -179.3 | -56.2 | 177.2 | 0 | 0 | 0 | 111.2 | I96 A99 L479 F483 V575 S576 A582 | I96-I578 HydrophobicContact CG1-CD1 4.39Å; I96-I578 HydrophobicContact CG1-CG1 4.39Å; I96-I578 HydrophobicContact CG1-CG2 4.44Å; A99-I578 HydrophobicContact CB-CG1 4.16Å; L479-I578 HydrophobicContact CD2-CD1 4.26Å; F483-I578 HydrophobicContact CB-CD1 4.45Å; F483-I578 HydrophobicContact CD2-CD1 3.59Å; F483-I578 HydrophobicContact CD2-CG2 4.38Å; F483-I578 HydrophobicContact CE2-CD1 4.17Å; F483-I578 HydrophobicContact CE2-CG2 4.43Å; F483-I578 HydrophobicContact CG-CD1 4.23Å; V575-I578 PolarHBondContact O-N 2.67Å; S576-I578 PolarHBondContact O-N 3.47Å; I578-A582 PolarHBondContact O-N 3.41Å |
| 579 | P | 95.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -179.3 | 26.7 | -35.4 | 0 | 0 | 0 | 113 | V575 S576 T581 A582 L583 | V575-P579 VanDerWaalsContact O-CD 3.22Å; V575-P579 WeakPolarHBondContact O-CD 3.28Å; S576-P579 VanDerWaalsContact O-CD 3.26Å; S576-P579 WeakPolarHBondContact O-CD 3.43Å; S576-P579 WeakPolarHBondContact O-CG 3.5Å; P579-T581 PolarHBondContact O-N 3.4Å; P579-A582 PolarHBondContact O-N 3.36Å; P579-L583 WeakPolarHBondContact O-CB 3.43Å; P579-L583 VanDerWaalsContact O-CG 3.29Å; P579-L583 WeakPolarHBondContact O-CG 3.3Å; P579-L583 PolarHBondContact O-N 3.03Å |
| 580 | L | 95.6 | Very high | 93.2 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 55% | 0.55 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | -179.4 | -69.8 | 174.6 | 0 | 0 | 0 | 111.8 | S576 L583 Y584 | S576-L580 WeakPolarHBondContact O-CB 3.46Å; S576-L580 WeakPolarHBondContact O-CG 3.38Å; S576-L580 PolarHBondContact O-N 3.48Å; L580-L583 PolarHBondContact O-N 3.48Å; L580-Y584 WeakPolarHBondContact O-CB 3.26Å; L580-Y584 PolarHBondContact O-N 3.21Å |
| 581 | T | 94.7 | Very high | 93 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 176 | -57 | 0 | 0 | 0 | 0 | 110.9 | G95 C577 P579 L583 Y584 I585 | G95-T581 WeakPolarHBondContact CA-OG1 3.23Å; C577-T581 VanDerWaalsContact O-CB 3.23Å; C577-T581 WeakPolarHBondContact O-CB 3.25Å; C577-T581 PolarHBondContact O-N 2.94Å; C577-T581 VanDerWaalsContact O-N 3.13Å; C577-T581 PolarHBondContact O-OG1 2.8Å; P579-T581 PolarHBondContact O-N 3.4Å; T581-L583 PolarHBondContact O-N 3.33Å; T581-Y584 PolarHBondContact O-N 2.89Å; T581-I585 WeakPolarHBondContact O-CG1 3.31Å; T581-I585 PolarHBondContact O-N 3.41Å |
| 582 | A | 94.3 | Very high | 92.7 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y92 I578 P579 I585 F586 | Y92-A582 HydrophobicContact CD1-CB 4.45Å; Y92-A582 WeakPolarHBondContact CD1-O 3.29Å; I578-A582 PolarHBondContact O-N 3.41Å; P579-A582 PolarHBondContact O-N 3.36Å; A582-I585 PolarHBondContact O-N 3.37Å; A582-F586 WeakPolarHBondContact O-CB 3.31Å; A582-F586 PolarHBondContact O-N 2.89Å |
| 583 | L | 94.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.3 | -74 | 171.6 | 0 | 0 | 0 | 112.3 | P579 L580 T581 F586 C587 | P579-L583 WeakPolarHBondContact O-CB 3.43Å; P579-L583 VanDerWaalsContact O-CG 3.29Å; P579-L583 WeakPolarHBondContact O-CG 3.3Å; P579-L583 PolarHBondContact O-N 3.03Å; L580-L583 PolarHBondContact O-N 3.48Å; T581-L583 PolarHBondContact O-N 3.33Å; L583-F586 PolarHBondContact O-N 3.42Å; L583-C587 WeakPolarHBondContact O-CB 3.26Å; L583-C587 PolarHBondContact O-N 2.71Å; L583-C587 PolarHBondContact O-SG 2.96Å; L583-C587 VanDerWaalsContact O-SG 3.39Å |
| 584 | Y | 95 | Very high | 91.4 | Very high | 151 Ų | 151 | 72.6 Ų | 72.6 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.4 | -49.5 | 176.5 | 172.5 | -98.5 | 0 | 0 | 0 | 111.3 | L580 T581 F586 C587 Q588 | L580-Y584 WeakPolarHBondContact O-CB 3.26Å; L580-Y584 PolarHBondContact O-N 3.21Å; T581-Y584 PolarHBondContact O-N 2.89Å; Y584-F586 PolarHBondContact O-N 3.44Å; Y584-C587 PolarHBondContact O-N 3.31Å; Y584-Q588 WeakPolarHBondContact O-CB 3.33Å; Y584-Q588 PolarHBondContact O-N 3.49Å |
| 585 | I | 93.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 80.4 Ų | 80.4 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 179.2 | -64.8 | -64.6 | 0 | 0 | 0 | 111.4 | P91 Y92 T581 A582 Q588 R589 | P91-I585 HydrophobicContact CB-CG2 4.19Å; Y92-I585 HydrophobicContact CD1-CB 4.08Å; Y92-I585 HydrophobicContact CD1-CG2 3.87Å; Y92-I585 HydrophobicContact CE1-CB 4.19Å; Y92-I585 HydrophobicContact CE1-CG2 3.76Å; Y92-I585 HydrophobicContact CG-CG2 4.43Å; T581-I585 WeakPolarHBondContact O-CG1 3.31Å; T581-I585 PolarHBondContact O-N 3.41Å; A582-I585 PolarHBondContact O-N 3.37Å; I585-Q588 PolarHBondContact O-N 3.5Å; I585-R589 HydrophobicContact CG2-CG 4.48Å; I585-R589 WeakPolarHBondContact O-CB 3.4Å; I585-R589 WeakPolarHBondContact O-CG 3.29Å; I585-R589 PolarHBondContact O-N 3.45Å |
| 586 | F | 93.8 | Very high | 89.7 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 175.1 | 179.8 | -101.6 | 0 | 0 | 0 | 111.5 | Y92 A582 L583 Y584 Q588 R589 R590 | Y92-F586 HydrophobicContact CE1-CB 3.94Å; A582-F586 WeakPolarHBondContact O-CB 3.31Å; A582-F586 PolarHBondContact O-N 2.89Å; L583-F586 PolarHBondContact O-N 3.42Å; Y584-F586 PolarHBondContact O-N 3.44Å; F586-Q588 PolarHBondContact O-N 3.4Å; F586-R589 PolarHBondContact O-N 2.81Å; F586-R590 WeakPolarHBondContact O-CB 3.49Å; F586-R590 PolarHBondContact O-N 3.01Å |
| 587 | C | 93.4 | Very high | 88.5 | Confident | 67 Ų | 67 | 90.6 Ų | 90.6 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.5 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | L583 Y584 R590 K591 | L583-C587 WeakPolarHBondContact O-CB 3.26Å; L583-C587 PolarHBondContact O-N 2.71Å; L583-C587 PolarHBondContact O-SG 2.96Å; L583-C587 VanDerWaalsContact O-SG 3.39Å; Y584-C587 PolarHBondContact O-N 3.31Å; C587-R590 PolarHBondContact O-N 3.29Å; C587-K591 WeakPolarHBondContact O-CG 3.46Å; C587-K591 PolarHBondContact O-N 3Å |
| 588 | Q | 92.1 | Very high | 86.9 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.3 | -170.2 | -178.6 | 13.8 | 0 | 0 | 111.6 | Y584 I585 F586 R590 K591 H592 | Y584-Q588 WeakPolarHBondContact O-CB 3.33Å; Y584-Q588 PolarHBondContact O-N 3.49Å; I585-Q588 PolarHBondContact O-N 3.5Å; F586-Q588 PolarHBondContact O-N 3.4Å; Q588-R590 PolarHBondContact O-N 3.04Å; Q588-K591 PolarHBondContact O-N 2.93Å; Q588-H592 PolarHBondContact O-CD2 2.88Å; Q588-H592 PolarHBondContact O-N 3.37Å |
| 589 | R | 90.9 | Very high | 85.3 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 176.6 | -75.6 | -178.2 | 172.7 | -153 | -0.4 | 112 | Y92 I585 F586 H592 A593 | Y92-R589 WeakPolarHBondContact OH-CD 3.37Å; I585-R589 HydrophobicContact CG2-CG 4.48Å; I585-R589 WeakPolarHBondContact O-CB 3.4Å; I585-R589 WeakPolarHBondContact O-CG 3.29Å; I585-R589 PolarHBondContact O-N 3.45Å; F586-R589 PolarHBondContact O-N 2.81Å; R589-H592 PolarHBondContact O-N 3.33Å; R589-A593 WeakPolarHBondContact O-CB 3.42Å; R589-A593 PolarHBondContact O-N 3.21Å |
| 590 | R | 89.6 | Confident | 83.3 | Confident | 153 Ų | 153 | 104.5 Ų | 104.5 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.7 | -169 | 176.6 | 179.4 | 178.7 | 0.9 | 111.8 | F586 C587 Q588 A593 Q594 | F586-R590 WeakPolarHBondContact O-CB 3.49Å; F586-R590 PolarHBondContact O-N 3.01Å; C587-R590 PolarHBondContact O-N 3.29Å; Q588-R590 PolarHBondContact O-N 3.04Å; R590-A593 PolarHBondContact O-N 2.76Å; R590-Q594 WeakPolarHBondContact O-CG 3.25Å; R590-Q594 PolarHBondContact O-N 3.34Å |
| 591 | K | 87.9 | Confident | 81.5 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 61% | 0.609 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 174.6 | -75.9 | -178 | 179.3 | -178.4 | 0 | 112.1 | C587 Q588 Q594 R595 | C587-K591 WeakPolarHBondContact O-CG 3.46Å; C587-K591 PolarHBondContact O-N 3Å; Q588-K591 PolarHBondContact O-N 2.93Å; K591-Q594 PolarHBondContact O-N 2.98Å; K591-R595 WeakPolarHBondContact O-CG 3.33Å; K591-R595 PolarHBondContact O-N 3.24Å |
| 592 | H | 82.4 | Confident | 79.8 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.8 | -89.8 | -79.2 | 0 | 0 | 0 | 112.6 | Q588 R589 Q594 R595 H596 | Q588-H592 PolarHBondContact O-CD2 2.88Å; Q588-H592 PolarHBondContact O-N 3.37Å; R589-H592 PolarHBondContact O-N 3.33Å; H592-Q594 VanDerWaalsContact C-N 3.34Å; H592-Q594 PolarHBondContact O-N 3.49Å; H592-R595 PolarHBondContact O-N 3.43Å; H592-H596 PolarHBondContact O-N 3.31Å |
| 593 | A | 80.3 | Confident | 77.9 | Confident | 55 Ų | 55 | 110.2 Ų | 110.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R589 R590 K597 | R589-A593 WeakPolarHBondContact O-CB 3.42Å; R589-A593 PolarHBondContact O-N 3.21Å; R590-A593 PolarHBondContact O-N 2.76Å; A593-K597 WeakPolarHBondContact O-CG 3.26Å; A593-K597 PolarHBondContact O-N 2.95Å |
| 594 | Q | 78.4 | Confident | 76.1 | Confident | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.7 | -75.7 | 176.3 | -31 | 0 | 0 | 112.4 | R590 K591 H592 K597 Q598 | R590-Q594 WeakPolarHBondContact O-CG 3.25Å; R590-Q594 PolarHBondContact O-N 3.34Å; K591-Q594 PolarHBondContact O-N 2.98Å; H592-Q594 VanDerWaalsContact C-N 3.34Å; H592-Q594 PolarHBondContact O-N 3.49Å; Q594-K597 PolarHBondContact O-N 3.09Å; Q594-Q598 PolarHBondContact O-N 2.62Å |
| 595 | R | 75.1 | Confident | 74.3 | Confident | 164 Ų | 164 | 108.5 Ų | 108.5 | 62% | 0.619 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 174.7 | -76.9 | -179.2 | 175.4 | -178.9 | -2.5 | 112.3 | K591 H592 K597 Q598 Q599 | K591-R595 WeakPolarHBondContact O-CG 3.33Å; K591-R595 PolarHBondContact O-N 3.24Å; H592-R595 PolarHBondContact O-N 3.43Å; R595-K597 PolarHBondContact O-N 2.95Å; R595-Q598 PolarHBondContact O-N 3.46Å; R595-Q599 PolarHBondContact O-N 2.94Å |
| 596 | H | 70.3 | Confident | 72.3 | Confident | 114 Ų | 114 | 111.4 Ų | 111.4 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.2 | -39.9 | 175.4 | -94.7 | -72.1 | 0 | 0 | 0 | 112.6 | H592 H600 | H592-H596 PolarHBondContact O-N 3.31Å; H596-H600 PolarHBondContact O-N 2.9Å |
| 597 | K | 69.1 | Low | 70 | Confident | 156 Ų | 156 | 112.9 Ų | 112.9 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -46.5 | 173.8 | -78.7 | -174.1 | 176.7 | -172.4 | 0 | 111.7 | A593 Q594 R595 Q599 H600 T601 | A593-K597 WeakPolarHBondContact O-CG 3.26Å; A593-K597 PolarHBondContact O-N 2.95Å; Q594-K597 PolarHBondContact O-N 3.09Å; R595-K597 PolarHBondContact O-N 2.95Å; K597-Q599 PolarHBondContact O-N 3.42Å; K597-H600 PolarHBondContact O-N 3.31Å; K597-T601 PolarHBondContact O-N 3.42Å; K597-T601 PolarHBondContact O-OG1 3.49Å |
| 598 | Q | 62.5 | Low | 68.8 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.3 | -43.1 | 176.9 | -82.3 | 177.7 | -29.3 | 0 | 0 | 112.8 | Q594 R595 H600 T601 V602 | Q594-Q598 PolarHBondContact O-N 2.62Å; R595-Q598 PolarHBondContact O-N 3.46Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 2.8Å; Q598-T601 PolarHBondContact O-N 3.29Å; Q598-V602 VanDerWaalsContact O-CG2 3.31Å; Q598-V602 WeakPolarHBondContact O-CG2 3.31Å; Q598-V602 PolarHBondContact O-N 3.35Å |
| 599 | Q | 60.7 | Low | 67.6 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 58% | 0.575 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -38.6 | 175 | -94.1 | 173 | -35.3 | 0 | 0 | 112.6 | R595 K597 N603 | R595-Q599 PolarHBondContact O-N 2.94Å; K597-Q599 PolarHBondContact O-N 3.42Å; Q599-N603 WeakPolarHBondContact O-CB 3.46Å; Q599-N603 VanDerWaalsContact O-CG 3.23Å; Q599-N603 PolarHBondContact O-N 2.9Å; Q599-N603 PolarHBondContact O-ND2 3.44Å |
| 600 | H | 55.8 | Low | 66.3 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 173.2 | -94.9 | -63.2 | 0 | 0 | 0 | 112.2 | H596 K597 Q598 V602 N603 T604 | H596-H600 PolarHBondContact O-N 2.9Å; K597-H600 PolarHBondContact O-N 3.31Å; Q598-H600 VanDerWaalsContact C-N 3.34Å; Q598-H600 PolarHBondContact O-N 2.8Å; H600-V602 PolarHBondContact O-N 2.82Å; H600-N603 PolarHBondContact O-N 2.93Å; H600-T604 PolarHBondContact O-N 3.05Å; H600-T604 PolarHBondContact O-OG1 3.48Å |
| 601 | T | 56.8 | Low | 64.9 | Low | 83 Ų | 83 | 114.4 Ų | 114.4 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 178.2 | -44.5 | 0 | 0 | 0 | 0 | 112 | K597 Q598 T604 V605 | K597-T601 PolarHBondContact O-N 3.42Å; K597-T601 PolarHBondContact O-OG1 3.49Å; Q598-T601 PolarHBondContact O-N 3.29Å; T601-T604 VanDerWaalsContact CA-OG1 3.3Å; T601-T604 WeakPolarHBondContact CA-OG1 3.41Å; T601-T604 PolarHBondContact O-N 3.48Å; T601-T604 PolarHBondContact O-OG1 3Å; T601-V605 VanDerWaalsContact O-CG2 3.29Å; T601-V605 WeakPolarHBondContact O-CG2 3.4Å; T601-V605 PolarHBondContact O-N 2.68Å; T601-V605 VanDerWaalsContact O-N 3.12Å |
| 602 | V | 58.4 | Low | 63.5 | Low | 96 Ų | 96 | 112.8 Ų | 112.8 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.8 | -42.2 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | Q598 H600 T604 V605 A606 | Q598-V602 VanDerWaalsContact O-CG2 3.31Å; Q598-V602 WeakPolarHBondContact O-CG2 3.31Å; Q598-V602 PolarHBondContact O-N 3.35Å; H600-V602 PolarHBondContact O-N 2.82Å; V602-T604 VanDerWaalsContact C-N 3.34Å; V602-T604 PolarHBondContact O-N 3.33Å; V602-V605 PolarHBondContact O-N 2.98Å; V602-A606 WeakPolarHBondContact O-CB 3.36Å; V602-A606 PolarHBondContact O-N 3.45Å; V602-A606 VanDerWaalsContact O-N 3.1Å |
| 603 | N | 55 | Low | 62.2 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -28.4 | 178.2 | -70.1 | -9.6 | 0 | 0 | 0 | 113.3 | Q599 H600 | Q599-N603 WeakPolarHBondContact O-CB 3.46Å; Q599-N603 VanDerWaalsContact O-CG 3.23Å; Q599-N603 PolarHBondContact O-N 2.9Å; Q599-N603 PolarHBondContact O-ND2 3.44Å; H600-N603 PolarHBondContact O-N 2.93Å |
| 604 | T | 57.7 | Low | 60.9 | Low | 97 Ų | 97 | 118.1 Ų | 118.1 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.3 | -17.8 | 173.5 | 41.4 | 0 | 0 | 0 | 0 | 114.5 | H600 T601 V602 | H600-T604 PolarHBondContact O-N 3.05Å; H600-T604 PolarHBondContact O-OG1 3.48Å; T601-T604 VanDerWaalsContact CA-OG1 3.3Å; T601-T604 WeakPolarHBondContact CA-OG1 3.41Å; T601-T604 PolarHBondContact O-N 3.48Å; T601-T604 PolarHBondContact O-OG1 3Å; V602-T604 VanDerWaalsContact C-N 3.34Å; V602-T604 PolarHBondContact O-N 3.33Å |
| 605 | V | 56.8 | Low | 59.6 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -90.8 | -20.5 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | T601 V602 | T601-V605 VanDerWaalsContact O-CG2 3.29Å; T601-V605 WeakPolarHBondContact O-CG2 3.4Å; T601-V605 PolarHBondContact O-N 2.68Å; T601-V605 VanDerWaalsContact O-N 3.12Å; V602-V605 PolarHBondContact O-N 2.98Å |
| 606 | A | 50.9 | Low | 58.3 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | trans | -93.1 | -0.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V602 | V602-A606 WeakPolarHBondContact O-CB 3.36Å; V602-A606 PolarHBondContact O-N 3.45Å; V602-A606 VanDerWaalsContact O-N 3.1Å | ||
| 607 | A | 45.2 | Very low | 57.2 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 100% | 1.124 | 67% | 0.667 | S | S | * | * | trans | -112.3 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 607 of 607 residues in 263 ms
(Link to these results)