| 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 | S | 35.6 | Very low | 60.8 | Low | 169 Ų | 169 | 85.2 Ų | 85.2 | 100% | 1.182 | 53% | 0.527 | S | S | * | . | 0 | 87.3 | 0 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 2 | N | 34.4 | Very low | 63.2 | Low | 158 Ų | 158 | 82.2 Ų | 82.2 | 85% | 0.845 | 50% | 0.501 | S | S | * | . | trans | -108.5 | 91.8 | 174.6 | -79.5 | -4.9 | 0 | 0 | 0 | 108.6 | V4 | N2-V4 VanDerWaalsContact C-N 3.26Å; N2-V4 PolarHBondContact O-N 3.25Å | ||
| 3 | M | 39.8 | Very low | 65.3 | Low | 176 Ų | 176 | 83 Ų | 83 | 87% | 0.867 | 50% | 0.501 | S | S | * | . | trans | -74.9 | 82.9 | 172.2 | -167.7 | 156 | 60.8 | 0 | 0 | 108.1 | C5 | M3-C5 PolarHBondContact O-N 3.15Š| ||
| 4 | V | 46 | Very low | 67.2 | Low | 118 Ų | 118 | 79.5 Ų | 79.5 | 72% | 0.715 | 49% | 0.485 | S | S | * | . | trans | -74.8 | 84.1 | 168.4 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | N2 G6 | N2-V4 VanDerWaalsContact C-N 3.26Å; N2-V4 PolarHBondContact O-N 3.25Å; V4-G6 PolarHBondContact O-N 3.06Å | ||
| 5 | C | 49.9 | Very low | 68.8 | Low | 98 Ų | 98 | 74.2 Ų | 74.2 | 66% | 0.662 | 45% | 0.453 | S | S | * | . | trans | -71.2 | 76.1 | 175.6 | -147.6 | 0 | 0 | 0 | 0 | 109 | M3 C10 | M3-C5 PolarHBondContact O-N 3.15Å; C5-C10 VanDerWaalsContact SG-SG 3.64Å | ||
| 6 | G | 57.4 | Low | 70.4 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 10% | 0.103 | 43% | 0.433 | C | S | . | . | trans | -159.8 | 15 | -166 | 0 | 0 | 0 | 0 | 0 | 116.4 | V4 R199 Q203 | V4-G6 PolarHBondContact O-N 3.06Å; G6-R199 PolarHBondContact O-NH2 3.15Å; G6-Q203 PolarHBondContact O-NE2 3.08Å; G6-Q203 VanDerWaalsContact O-NE2 3.14Å | ||
| 7 | G | 72.8 | Confident | 71.8 | Confident | 41 Ų | 41 | 71 Ų | 71 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -76.1 | 168.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T9 C10 S11 | G7-T9 VanDerWaalsContact C-N 3.29Å; G7-T9 PolarHBondContact O-N 3.32Å; G7-C10 WeakPolarHBondContact O-CB 3.49Å; G7-C10 PolarHBondContact O-N 3.44Å; G7-S11 PolarHBondContact O-N 2.88Å |
| 8 | F | 78.3 | Confident | 73 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 13% | 0.127 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -47.7 | -46.8 | -178.8 | -177.2 | -92.8 | 0 | 0 | 0 | 113.6 | C10 S11 K12 H72 Y200 Q203 D205 P206 | F8-C10 PolarHBondContact O-N 2.93Å; F8-S11 PolarHBondContact O-N 2.99Å; F8-K12 VanDerWaalsContact O-CB 3.28Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 3.44Å; F8-H72 AromaticContact CE2-CD2 3.64Å; F8-H72 AromaticContact CE2-CE1 3.97Å; F8-H72 AromaticContact CE2-NE2 3.49Å; F8-H72 WeakPolarHBondContact CE2-NE2 3.4Å; F8-H72 AromaticContact CZ-CD2 3.85Å; F8-Y200 HydrophobicContact CD1-CE2 4.17Å; F8-Y200 HydrophobicContact CD2-CD2 4.16Å; F8-Y200 AromaticContact CD2-CE2 3.62Å; F8-Y200 HydrophobicContact CD2-CE2 3.62Å; F8-Y200 HydrophobicContact CE1-CE2 4.02Å; F8-Y200 HydrophobicContact CE2-CD2 4.26Å; F8-Y200 AromaticContact CE2-CE2 3.46Å; F8-Y200 HydrophobicContact CE2-CE2 3.46Å; F8-Y200 VanDerWaalsContact CE2-CE2 3.46Å; F8-Y200 AromaticContact CE2-CZ 3.97Å; F8-Y200 AromaticContact CG-CE2 3.99Å; F8-Y200 HydrophobicContact CG-CE2 3.99Å; F8-Y200 AromaticContact CZ-CE2 3.67Å; F8-Y200 HydrophobicContact CZ-CE2 3.67Å; F8-Y200 AromaticContact CZ-CZ 3.84Å; F8-Y200 VanDerWaalsContact CZ-OH 3.25Å; F8-Y200 WeakPolarHBondContact CZ-OH 3.33Å; F8-Q203 HydrophobicContact CD2-CB 3.92Å; F8-D205 HydrophobicContact CE2-CB 4.1Å; F8-D205 HydrophobicContact CZ-CB 3.93Å; F8-P206 HydrophobicContact CB-CG 4.47Å; F8-P206 HydrophobicContact CD1-CG 4.2Å; F8-P206 HydrophobicContact CG-CG 4.36Å |
| 9 | T | 83.3 | Confident | 74.2 | Confident | 89 Ų | 89 | 65 Ų | 65 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 179.2 | -48.8 | 0 | 0 | 0 | 0 | 112.9 | G7 N13 | G7-T9 VanDerWaalsContact C-N 3.29Å; G7-T9 PolarHBondContact O-N 3.32Å; T9-N13 WeakPolarHBondContact O-CB 3.33Å; T9-N13 PolarHBondContact O-N 2.77Å; T9-N13 PolarHBondContact O-OD1 3.47Å |
| 10 | C | 85.1 | Confident | 75.3 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 31% | 0.311 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -47.7 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | C5 G7 F8 K12 N13 A14 | C5-C10 VanDerWaalsContact SG-SG 3.64Å; G7-C10 WeakPolarHBondContact O-CB 3.49Å; G7-C10 PolarHBondContact O-N 3.44Å; F8-C10 PolarHBondContact O-N 2.93Å; C10-K12 VanDerWaalsContact C-N 3.35Å; C10-K12 PolarHBondContact O-N 3.22Å; C10-N13 PolarHBondContact O-N 3.39Å; C10-A14 VanDerWaalsContact O-CB 3.28Å; C10-A14 WeakPolarHBondContact O-CB 3.47Å; C10-A14 PolarHBondContact O-N 2.88Å |
| 11 | S | 86.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 112 | G7 F8 L15 | G7-S11 PolarHBondContact O-N 2.88Å; F8-S11 PolarHBondContact O-N 2.99Å; S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.37Å |
| 12 | K | 88.6 | Confident | 79.1 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 21% | 0.213 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -54.8 | 172.5 | -175.3 | 175.2 | -174.9 | 158.2 | 0 | 111.8 | F8 C10 A14 L15 C16 A69 I70 Y200 | F8-K12 VanDerWaalsContact O-CB 3.28Å; F8-K12 WeakPolarHBondContact O-CB 3.48Å; F8-K12 PolarHBondContact O-N 3.44Å; C10-K12 VanDerWaalsContact C-N 3.35Å; C10-K12 PolarHBondContact O-N 3.22Å; K12-A14 PolarHBondContact O-N 3.02Å; K12-L15 PolarHBondContact O-N 2.8Å; K12-C16 WeakPolarHBondContact O-CB 3.28Å; K12-C16 PolarHBondContact O-N 2.79Å; K12-C16 PolarHBondContact O-SG 2.97Å; K12-C16 VanDerWaalsContact O-SG 3.32Å; K12-A69 WeakPolarHBondContact CE-O 3.38Å; K12-I70 PolarHBondContact NZ-O 3.36Å; K12-Y200 HydrophobicContact CB-CD2 4.36Å; K12-Y200 HydrophobicContact CB-CE2 3.61Å; K12-Y200 HydrophobicContact CG-CE2 4.31Å |
| 13 | N | 90.4 | Very high | 82 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | -176.3 | -70.4 | 2.1 | 0 | 0 | 0 | 111.5 | T9 C10 C16 S17 | T9-N13 WeakPolarHBondContact O-CB 3.33Å; T9-N13 PolarHBondContact O-N 2.77Å; T9-N13 PolarHBondContact O-OD1 3.47Å; C10-N13 PolarHBondContact O-N 3.39Å; N13-C16 PolarHBondContact O-N 2.86Å; N13-S17 WeakPolarHBondContact O-CB 2.93Å; N13-S17 PolarHBondContact O-N 2.84Å; N13-S17 PolarHBondContact O-OG 3.33Å |
| 14 | A | 92.2 | Very high | 84.7 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C10 K12 S17 L18 L196 | C10-A14 VanDerWaalsContact O-CB 3.28Å; C10-A14 WeakPolarHBondContact O-CB 3.47Å; C10-A14 PolarHBondContact O-N 2.88Å; K12-A14 PolarHBondContact O-N 3.02Å; A14-S17 PolarHBondContact O-N 3.35Å; A14-L18 WeakPolarHBondContact O-CB 3.22Å; A14-L18 PolarHBondContact O-N 3.29Å; A14-L196 HydrophobicContact CB-CD1 4.13Å; A14-L196 HydrophobicContact CB-CD2 4.41Å |
| 15 | L | 92 | Very high | 87 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 178.5 | -170.2 | 63.4 | 0 | 0 | 0 | 112 | S11 K12 N19 A69 L77 Y80 L196 A197 Y200 | S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.37Å; K12-L15 PolarHBondContact O-N 2.8Å; L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 2.92Å; L15-A69 HydrophobicContact CB-CB 4.34Å; L15-A69 HydrophobicContact CD2-CB 3.84Å; L15-A69 HydrophobicContact CG-CB 4.04Å; L15-L77 HydrophobicContact CD2-CD2 4.24Å; L15-Y80 HydrophobicContact CD1-CE1 4.03Å; L15-L196 HydrophobicContact CD1-CB 4.45Å; L15-A197 HydrophobicContact CD1-CB 4.23Å; L15-A197 HydrophobicContact CD2-CB 4.29Å; L15-Y200 HydrophobicContact CD2-CD1 3.9Å |
| 16 | C | 93.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 14% | 0.142 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 172.7 | -71.6 | 0 | 0 | 0 | 0 | 111.3 | K12 N13 L18 N19 V20 L66 | K12-C16 WeakPolarHBondContact O-CB 3.28Å; K12-C16 PolarHBondContact O-N 2.79Å; K12-C16 PolarHBondContact O-SG 2.97Å; K12-C16 VanDerWaalsContact O-SG 3.32Å; N13-C16 PolarHBondContact O-N 2.86Å; C16-L18 VanDerWaalsContact C-N 3.32Å; C16-L18 PolarHBondContact O-N 3.44Å; C16-N19 PolarHBondContact O-N 3.18Å; C16-V20 WeakPolarHBondContact O-CG2 3.32Å; C16-V20 PolarHBondContact O-N 3.16Å; C16-L66 HydrophobicContact CB-CD1 3.93Å |
| 17 | S | 94.9 | Very high | 91 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.9 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | N13 A14 N19 V20 V21 | N13-S17 WeakPolarHBondContact O-CB 2.93Å; N13-S17 PolarHBondContact O-N 2.84Å; N13-S17 PolarHBondContact O-OG 3.33Å; A14-S17 PolarHBondContact O-N 3.35Å; S17-N19 PolarHBondContact O-N 3.38Å; S17-V20 PolarHBondContact O-N 3.02Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 3.4Å |
| 18 | L | 93.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.8 | -177.9 | 145.7 | 0 | 0 | 0 | 111.6 | A14 C16 V21 Y22 Y80 | A14-L18 WeakPolarHBondContact O-CB 3.22Å; A14-L18 PolarHBondContact O-N 3.29Å; C16-L18 VanDerWaalsContact C-N 3.32Å; C16-L18 PolarHBondContact O-N 3.44Å; L18-V21 PolarHBondContact O-N 3.34Å; L18-Y22 HydrophobicContact CD2-CD2 3.81Å; L18-Y22 HydrophobicContact CD2-CE2 3.32Å; L18-Y22 HydrophobicContact CG-CE2 4.17Å; L18-Y22 PolarHBondContact O-N 3.43Å; L18-Y80 WeakPolarHBondContact CD2-OH 3.44Å |
| 19 | N | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 176.5 | -77.6 | -74.4 | 0 | 0 | 0 | 112.9 | L15 C16 S17 V21 Y22 M23 A62 L66 Y80 | L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 2.92Å; C16-N19 PolarHBondContact O-N 3.18Å; S17-N19 PolarHBondContact O-N 3.38Å; N19-V21 VanDerWaalsContact C-N 3.33Å; N19-V21 PolarHBondContact O-N 3.39Å; N19-Y22 PolarHBondContact O-N 3.49Å; N19-M23 WeakPolarHBondContact O-CG 3.48Å; N19-M23 PolarHBondContact O-N 3.32Å; N19-A62 WeakPolarHBondContact OD1-CA 3.28Å; N19-A62 PolarHBondContact OD1-O 3.01Å; N19-L66 HydrophobicContact CB-CB 4.07Å; N19-Y80 PolarHBondContact ND2-OH 2.87Å; N19-Y80 VanDerWaalsContact OD1-CE2 3.27Å; N19-Y80 WeakPolarHBondContact OD1-CE2 3.34Å; N19-Y80 PolarHBondContact OD1-OH 3.45Å |
| 20 | V | 96.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 173.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | C16 S17 M23 L24 L66 | C16-V20 WeakPolarHBondContact O-CG2 3.32Å; C16-V20 PolarHBondContact O-N 3.16Å; S17-V20 PolarHBondContact O-N 3.02Å; V20-M23 WeakPolarHBondContact O-CB 3.47Å; V20-M23 PolarHBondContact O-N 2.97Å; V20-L24 WeakPolarHBondContact O-CG 3.45Å; V20-L24 PolarHBondContact O-N 3.1Å; V20-L66 HydrophobicContact CG2-CD1 4.39Å |
| 21 | V | 95.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | S17 L18 N19 M23 L24 V25 | S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 3.4Å; L18-V21 PolarHBondContact O-N 3.34Å; N19-V21 VanDerWaalsContact C-N 3.33Å; N19-V21 PolarHBondContact O-N 3.39Å; V21-M23 VanDerWaalsContact C-N 3.31Å; V21-M23 PolarHBondContact O-N 2.97Å; V21-L24 PolarHBondContact O-N 2.89Å; V21-V25 HydrophobicContact CG1-CG2 4.44Å; V21-V25 WeakPolarHBondContact O-CG2 3.4Å; V21-V25 PolarHBondContact O-N 3.49Å |
| 22 | Y | 94.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 53 Ų | 53 | 7% | 0.071 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.1 | -68.5 | -13.4 | 0 | 0 | 0 | 113 | L18 N19 V25 G26 L84 S189 E190 | L18-Y22 HydrophobicContact CD2-CD2 3.81Å; L18-Y22 HydrophobicContact CD2-CE2 3.32Å; L18-Y22 HydrophobicContact CG-CE2 4.17Å; L18-Y22 PolarHBondContact O-N 3.43Å; N19-Y22 PolarHBondContact O-N 3.49Å; Y22-V25 PolarHBondContact O-N 2.98Å; Y22-G26 PolarHBondContact O-N 2.04Å; Y22-L84 HydrophobicContact CE2-CD2 4.47Å; Y22-S189 PolarHBondContact OH-OG 3.25Å; Y22-E190 PolarHBondContact OH-N 3.09Å |
| 23 | M | 96.3 | Very high | 94 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 26% | 0.261 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -46 | 172.1 | -72.7 | -178.3 | 64.3 | 0 | 0 | 112 | N19 V20 V21 V25 G26 L27 L59 A62 I63 L66 | N19-M23 WeakPolarHBondContact O-CG 3.48Å; N19-M23 PolarHBondContact O-N 3.32Å; V20-M23 WeakPolarHBondContact O-CB 3.47Å; V20-M23 PolarHBondContact O-N 2.97Å; V21-M23 VanDerWaalsContact C-N 3.31Å; V21-M23 PolarHBondContact O-N 2.97Å; M23-V25 VanDerWaalsContact C-N 3.34Å; M23-V25 PolarHBondContact O-N 2.99Å; M23-G26 PolarHBondContact O-N 3.44Å; M23-L27 WeakPolarHBondContact O-CG 3.34Å; M23-L27 PolarHBondContact O-N 3.29Å; M23-L59 HydrophobicContact CB-CD2 4.19Å; M23-L59 HydrophobicContact CG-CD2 4.4Å; M23-L59 WeakPolarHBondContact O-CD2 3.37Å; M23-A62 HydrophobicContact CB-CB 4.48Å; M23-A62 HydrophobicContact CG-CB 3.54Å; M23-I63 HydrophobicContact CE-CG1 4.45Å; M23-I63 HydrophobicContact SD-CG1 4.48Å; M23-L66 HydrophobicContact SD-CD2 4Å |
| 24 | L | 96.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.4 | -67.7 | 175.6 | 0 | 0 | 0 | 111.6 | V20 V21 L27 L28 | V20-L24 WeakPolarHBondContact O-CG 3.45Å; V20-L24 PolarHBondContact O-N 3.1Å; V21-L24 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.88Å |
| 25 | V | 94.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V21 Y22 M23 L27 L28 L29 F186 | V21-V25 HydrophobicContact CG1-CG2 4.44Å; V21-V25 WeakPolarHBondContact O-CG2 3.4Å; V21-V25 PolarHBondContact O-N 3.49Å; Y22-V25 PolarHBondContact O-N 2.98Å; M23-V25 VanDerWaalsContact C-N 3.34Å; M23-V25 PolarHBondContact O-N 2.99Å; V25-L27 PolarHBondContact O-N 3.19Å; V25-L28 PolarHBondContact O-N 3.4Å; V25-L29 HydrophobicContact CG1-CD1 4.22Å; V25-L29 HydrophobicContact CG1-CG 4.44Å; V25-L29 WeakPolarHBondContact O-CG 3.1Å; V25-L29 PolarHBondContact O-N 3.31Å; V25-F186 HydrophobicContact CG1-CZ 4.42Å; V25-F186 HydrophobicContact CG2-CE1 4.48Å |
| 26 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y22 M23 L29 I30 | Y22-G26 PolarHBondContact O-N 2.04Å; M23-G26 PolarHBondContact O-N 3.44Å; G26-L29 PolarHBondContact O-N 3.43Å; G26-I30 WeakPolarHBondContact O-CG1 3.41Å; G26-I30 PolarHBondContact O-N 3.15Å; G26-I30 VanDerWaalsContact O-N 3.14Å |
| 27 | L | 96.2 | Very high | 92.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.2 | -70.9 | 174.4 | 0 | 0 | 0 | 112.1 | M23 L24 V25 I30 G31 L59 | M23-L27 WeakPolarHBondContact O-CG 3.34Å; M23-L27 PolarHBondContact O-N 3.29Å; L24-L27 PolarHBondContact O-N 3.29Å; V25-L27 PolarHBondContact O-N 3.19Å; L27-I30 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 3.02Å; L27-L59 HydrophobicContact CD2-CD1 3.98Å; L27-L59 HydrophobicContact CD2-CD2 4.21Å; L27-L59 HydrophobicContact CG-CD1 4.47Å; L27-L59 HydrophobicContact CG-CD2 3.95Å |
| 28 | L | 95.2 | Very high | 92 | Very high | 116 Ų | 116 | 63.1 Ų | 63.1 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 176.2 | -81.5 | 168.9 | 0 | 0 | 0 | 111.8 | L24 V25 I30 G31 V32 | L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 2.88Å; V25-L28 PolarHBondContact O-N 3.4Å; L28-I30 VanDerWaalsContact C-N 3.35Å; L28-I30 PolarHBondContact O-N 3Å; L28-G31 PolarHBondContact O-N 3.3Å; L28-V32 WeakPolarHBondContact O-CB 3.36Å; L28-V32 WeakPolarHBondContact O-CG2 3.46Å; L28-V32 PolarHBondContact O-N 3.35Å |
| 29 | L | 92.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.7 | -72.8 | 174.3 | 0 | 0 | 0 | 111.7 | V25 G26 A33 V51 V54 L58 | V25-L29 HydrophobicContact CG1-CD1 4.22Å; V25-L29 HydrophobicContact CG1-CG 4.44Å; V25-L29 WeakPolarHBondContact O-CG 3.1Å; V25-L29 PolarHBondContact O-N 3.31Å; G26-L29 PolarHBondContact O-N 3.43Å; L29-A33 VanDerWaalsContact O-CB 3.25Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.46Å; L29-V51 HydrophobicContact CB-CG1 4.4Å; L29-V51 HydrophobicContact CD2-CG1 4.38Å; L29-V54 HydrophobicContact CD1-CG1 4.46Å; L29-L58 HydrophobicContact CD1-CD1 3.85Å |
| 30 | I | 94.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 21% | 0.205 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.8 | -64 | 169.2 | 0 | 0 | 0 | 110.3 | G26 L27 L28 A33 V34 V56 L59 | G26-I30 WeakPolarHBondContact O-CG1 3.41Å; G26-I30 PolarHBondContact O-N 3.15Å; G26-I30 VanDerWaalsContact O-N 3.14Å; L27-I30 PolarHBondContact O-N 2.96Å; L28-I30 VanDerWaalsContact C-N 3.35Å; L28-I30 PolarHBondContact O-N 3Å; I30-A33 PolarHBondContact O-N 2.82Å; I30-V34 HydrophobicContact CG2-CG2 4.17Å; I30-V34 WeakPolarHBondContact O-CB 3.02Å; I30-V34 VanDerWaalsContact O-CG2 3.22Å; I30-V34 WeakPolarHBondContact O-CG2 3.43Å; I30-V34 PolarHBondContact O-N 3.14Å; I30-V56 HydrophobicContact CD1-CG2 3.74Å; I30-V56 HydrophobicContact CG1-CG2 4.43Å; I30-L59 HydrophobicContact CD1-CD1 3.48Å; I30-L59 VanDerWaalsContact CD1-CD1 3.48Å |
| 31 | G | 93.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 74 Ų | 74 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L27 L28 A33 V34 W35 | L27-G31 PolarHBondContact O-N 3.02Å; L28-G31 PolarHBondContact O-N 3.3Å; G31-A33 PolarHBondContact O-N 2.96Å; G31-V34 PolarHBondContact O-N 3.01Å; G31-W35 VanDerWaalsContact O-CB 3.23Å; G31-W35 WeakPolarHBondContact O-CB 3.19Å; G31-W35 PolarHBondContact O-N 2.69Å |
| 32 | V | 91.4 | Very high | 86.3 | Confident | 100 Ų | 100 | 73 Ų | 73 | 61% | 0.606 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L28 G36 | L28-V32 WeakPolarHBondContact O-CB 3.36Å; L28-V32 WeakPolarHBondContact O-CG2 3.46Å; L28-V32 PolarHBondContact O-N 3.35Å; V32-G36 PolarHBondContact O-N 2.9Å |
| 33 | A | 89.4 | Confident | 84.3 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 I30 G31 K37 I48 V51 I52 | L29-A33 VanDerWaalsContact O-CB 3.25Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.46Å; I30-A33 PolarHBondContact O-N 2.82Å; G31-A33 PolarHBondContact O-N 2.96Å; A33-K37 PolarHBondContact O-N 3.37Å; A33-K37 VanDerWaalsContact O-N 3.07Å; A33-I48 HydrophobicContact CB-CG2 4.31Å; A33-V51 HydrophobicContact CB-CB 4.26Å; A33-V51 HydrophobicContact CB-CG1 3.96Å; A33-I52 HydrophobicContact CB-CD1 4.28Å; A33-I52 HydrophobicContact CB-CG1 3.64Å |
| 34 | V | 89.6 | Confident | 82.9 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 52% | 0.515 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | I30 G31 K37 G38 I52 | I30-V34 HydrophobicContact CG2-CG2 4.17Å; I30-V34 WeakPolarHBondContact O-CB 3.02Å; I30-V34 VanDerWaalsContact O-CG2 3.22Å; I30-V34 WeakPolarHBondContact O-CG2 3.43Å; I30-V34 PolarHBondContact O-N 3.14Å; G31-V34 PolarHBondContact O-N 3.01Å; V34-K37 PolarHBondContact O-N 3.27Å; V34-G38 PolarHBondContact O-N 3.18Å; V34-I52 HydrophobicContact CG2-CD1 4.35Å |
| 35 | W | 88.5 | Confident | 81.8 | Confident | 169 Ų | 169 | 78.5 Ų | 78.5 | 64% | 0.64 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.5 | -49.8 | 174.7 | -178.5 | -86.3 | 0 | 0 | 0 | 111.3 | G31 K37 G38 F39 | G31-W35 VanDerWaalsContact O-CB 3.23Å; G31-W35 WeakPolarHBondContact O-CB 3.19Å; G31-W35 PolarHBondContact O-N 2.69Å; W35-K37 VanDerWaalsContact C-N 3.28Å; W35-K37 PolarHBondContact O-N 3.42Å; W35-G38 PolarHBondContact O-N 3.04Å; W35-F39 AromaticContact CD1-CD2 3.88Å; W35-F39 HydrophobicContact CD2-CD2 4.15Å; W35-F39 AromaticContact CD2-CE2 3.7Å; W35-F39 HydrophobicContact CD2-CE2 3.7Å; W35-F39 AromaticContact CE2-CD2 3.72Å; W35-F39 AromaticContact CE2-CE2 3.13Å; W35-F39 AromaticContact CE2-CZ 3.9Å; W35-F39 HydrophobicContact CE3-CE2 4.21Å; W35-F39 HydrophobicContact CG-CD2 4.27Å; W35-F39 HydrophobicContact CG-CE2 4.3Å; W35-F39 AromaticContact CH2-CE2 3.75Å; W35-F39 HydrophobicContact CH2-CE2 3.75Å; W35-F39 HydrophobicContact CH2-CZ 4Å; W35-F39 HydrophobicContact CZ2-CD2 4.18Å; W35-F39 AromaticContact CZ2-CE2 3.18Å; W35-F39 HydrophobicContact CZ2-CE2 3.18Å; W35-F39 AromaticContact CZ2-CZ 3.48Å; W35-F39 HydrophobicContact CZ2-CZ 3.48Å; W35-F39 VanDerWaalsContact CZ2-CZ 3.48Å; W35-F39 HydrophobicContact CZ3-CE2 4.22Å; W35-F39 AromaticContact NE1-CD2 3.51Å; W35-F39 AromaticContact NE1-CE2 3.41Å; W35-F39 WeakPolarHBondContact O-CD2 3.42Å; W35-F39 PolarHBondContact O-N 3.42Å |
| 36 | G | 84.8 | Confident | 81 | Confident | 13 Ų | 13 | 84.5 Ų | 84.5 | 13% | 0.134 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.7 | -35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V32 L41 | V32-G36 PolarHBondContact O-N 2.9Å; G36-L41 PolarHBondContact O-N 3.48Å |
| 37 | K | 81.9 | Confident | 80.3 | Confident | 136 Ų | 136 | 89.8 Ų | 89.8 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 171.8 | -172.5 | 179 | 174.3 | -179 | 0 | 111.9 | A33 V34 W35 F39 G40 I48 | A33-K37 PolarHBondContact O-N 3.37Å; A33-K37 VanDerWaalsContact O-N 3.07Å; V34-K37 PolarHBondContact O-N 3.27Å; W35-K37 VanDerWaalsContact C-N 3.28Å; W35-K37 PolarHBondContact O-N 3.42Å; K37-F39 VanDerWaalsContact C-N 3.29Å; K37-F39 PolarHBondContact O-N 3.45Å; K37-G40 PolarHBondContact O-N 3.49Å; K37-I48 HydrophobicContact CB-CD1 3.99Å; K37-I48 HydrophobicContact CB-CG2 4.45Å; K37-I48 HydrophobicContact CG-CD1 4.18Å |
| 38 | G | 76.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -31.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V34 W35 | V34-G38 PolarHBondContact O-N 3.18Å; W35-G38 PolarHBondContact O-N 3.04Å |
| 39 | F | 74.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 82 Ų | 82 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.8 | 177.8 | -79.3 | -91.5 | 0 | 0 | 0 | 114.5 | W35 K37 L41 | W35-F39 AromaticContact CD1-CD2 3.88Å; W35-F39 HydrophobicContact CD2-CD2 4.15Å; W35-F39 AromaticContact CD2-CE2 3.7Å; W35-F39 HydrophobicContact CD2-CE2 3.7Å; W35-F39 AromaticContact CE2-CD2 3.72Å; W35-F39 AromaticContact CE2-CE2 3.13Å; W35-F39 AromaticContact CE2-CZ 3.9Å; W35-F39 HydrophobicContact CE3-CE2 4.21Å; W35-F39 HydrophobicContact CG-CD2 4.27Å; W35-F39 HydrophobicContact CG-CE2 4.3Å; W35-F39 AromaticContact CH2-CE2 3.75Å; W35-F39 HydrophobicContact CH2-CE2 3.75Å; W35-F39 HydrophobicContact CH2-CZ 4Å; W35-F39 HydrophobicContact CZ2-CD2 4.18Å; W35-F39 AromaticContact CZ2-CE2 3.18Å; W35-F39 HydrophobicContact CZ2-CE2 3.18Å; W35-F39 AromaticContact CZ2-CZ 3.48Å; W35-F39 HydrophobicContact CZ2-CZ 3.48Å; W35-F39 VanDerWaalsContact CZ2-CZ 3.48Å; W35-F39 HydrophobicContact CZ3-CE2 4.22Å; W35-F39 AromaticContact NE1-CD2 3.51Å; W35-F39 AromaticContact NE1-CE2 3.41Å; W35-F39 WeakPolarHBondContact O-CD2 3.42Å; W35-F39 PolarHBondContact O-N 3.42Å; K37-F39 VanDerWaalsContact C-N 3.29Å; K37-F39 PolarHBondContact O-N 3.45Å; F39-L41 HydrophobicContact CB-CD1 3.88Å; F39-L41 HydrophobicContact CB-CG 4.02Å; F39-L41 PolarHBondContact O-N 2.99Å |
| 40 | G | 65.9 | Low | 79.3 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 12.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K37 V42 | K37-G40 PolarHBondContact O-N 3.49Å; G40-V42 VanDerWaalsContact C-N 3.29Å; G40-V42 PolarHBondContact O-N 2.93Å |
| 41 | L | 60.3 | Low | 79.2 | Confident | 135 Ų | 135 | 81.7 Ų | 81.7 | 71% | 0.707 | 49% | 0.488 | S | S | * | . | trans | -70.3 | -24.1 | -178.7 | -72.9 | 164.6 | 0 | 0 | 0 | 112.9 | G36 F39 | G36-L41 PolarHBondContact O-N 3.48Å; F39-L41 HydrophobicContact CB-CD1 3.88Å; F39-L41 HydrophobicContact CB-CG 4.02Å; F39-L41 PolarHBondContact O-N 2.99Å | ||
| 42 | V | 59.6 | Low | 79.1 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | trans | -121.6 | 112 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | G40 I48 | G40-V42 VanDerWaalsContact C-N 3.29Å; G40-V42 PolarHBondContact O-N 2.93Å; V42-I48 HydrophobicContact CB-CD1 3.85Å; V42-I48 HydrophobicContact CB-CG1 4.04Å; V42-I48 HydrophobicContact CG1-CD1 3.81Å; V42-I48 HydrophobicContact CG1-CG1 3.58Å | ||
| 43 | S | 54.3 | Low | 79.3 | Confident | 112 Ų | 112 | 80.4 Ų | 80.4 | 78% | 0.783 | 48% | 0.476 | S | S | * | . | trans | -82.7 | -18.4 | -173.9 | -163.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 44 | S | 66.2 | Low | 79.5 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | trans | -93.3 | 110.1 | -177.1 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | H46 I47 I48 | S44-H46 PolarHBondContact O-N 2.77Å; S44-I47 PolarHBondContact O-N 3.4Å; S44-I48 PolarHBondContact O-N 3.11Å | ||
| 45 | I | 72.4 | Confident | 79.8 | Confident | 131 Ų | 131 | 79.5 Ų | 79.5 | 67% | 0.672 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.4 | -33.8 | 173.4 | -61.5 | 170.1 | 0 | 0 | 0 | 111.4 | G49 | I45-G49 PolarHBondContact O-N 3.43Å |
| 46 | H | 77.3 | Confident | 80.2 | Confident | 162 Ų | 162 | 74.6 Ų | 74.6 | 75% | 0.75 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.1 | -42.9 | -177 | -65.1 | 86.2 | 0 | 0 | 0 | 112.5 | S44 G49 G50 | S44-H46 PolarHBondContact O-N 2.77Å; H46-G49 PolarHBondContact O-N 2.72Å; H46-G50 PolarHBondContact O-N 2.83Å |
| 47 | I | 81.3 | Confident | 80.7 | Confident | 112 Ų | 112 | 78.8 Ų | 78.8 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | -179.3 | -59.8 | 176.6 | 0 | 0 | 0 | 109.7 | S44 G49 G50 V51 | S44-I47 PolarHBondContact O-N 3.4Å; I47-G49 PolarHBondContact O-N 3.41Å; I47-G50 PolarHBondContact O-N 2.77Å; I47-V51 PolarHBondContact O-N 2.03Å; I47-V51 VanDerWaalsContact O-N 3.16Å |
| 48 | I | 85.5 | Confident | 81.3 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 8% | 0.082 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.6 | -58.7 | 173.6 | 0 | 0 | 0 | 110.5 | A33 K37 V42 S44 G50 V51 I52 | A33-I48 HydrophobicContact CB-CG2 4.31Å; K37-I48 HydrophobicContact CB-CD1 3.99Å; K37-I48 HydrophobicContact CB-CG2 4.45Å; K37-I48 HydrophobicContact CG-CD1 4.18Å; V42-I48 HydrophobicContact CB-CD1 3.85Å; V42-I48 HydrophobicContact CB-CG1 4.04Å; V42-I48 HydrophobicContact CG1-CD1 3.81Å; V42-I48 HydrophobicContact CG1-CG1 3.58Å; S44-I48 PolarHBondContact O-N 3.11Å; I48-G50 VanDerWaalsContact C-N 3.28Å; I48-G50 PolarHBondContact O-N 3.41Å; I48-V51 PolarHBondContact O-N 3.07Å; I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.41Å; I48-I52 WeakPolarHBondContact O-CG1 3.16Å; I48-I52 PolarHBondContact O-N 2.03Å |
| 49 | G | 87.8 | Confident | 82.2 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I45 H46 I47 I52 A53 | I45-G49 PolarHBondContact O-N 3.43Å; H46-G49 PolarHBondContact O-N 2.72Å; I47-G49 PolarHBondContact O-N 3.41Å; G49-I52 PolarHBondContact O-N 3.29Å; G49-A53 VanDerWaalsContact O-CB 3.31Å; G49-A53 WeakPolarHBondContact O-CB 3.33Å; G49-A53 PolarHBondContact O-N 2.74Å |
| 50 | G | 90.9 | Very high | 83.3 | Confident | 35 Ų | 35 | 71 Ų | 71 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | H46 I47 I48 I52 A53 V54 | H46-G50 PolarHBondContact O-N 2.83Å; I47-G50 PolarHBondContact O-N 2.77Å; I48-G50 VanDerWaalsContact C-N 3.28Å; I48-G50 PolarHBondContact O-N 3.41Å; G50-I52 VanDerWaalsContact C-N 3.34Å; G50-I52 PolarHBondContact O-N 2.9Å; G50-A53 PolarHBondContact O-N 2.89Å; G50-V54 WeakPolarHBondContact O-CG2 3.47Å; G50-V54 PolarHBondContact O-N 3.49Å |
| 51 | V | 91 | Very high | 84.7 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | L29 A33 I47 I48 V54 G55 | L29-V51 HydrophobicContact CB-CG1 4.4Å; L29-V51 HydrophobicContact CD2-CG1 4.38Å; A33-V51 HydrophobicContact CB-CB 4.26Å; A33-V51 HydrophobicContact CB-CG1 3.96Å; I47-V51 PolarHBondContact O-N 2.03Å; I47-V51 VanDerWaalsContact O-N 3.16Å; I48-V51 PolarHBondContact O-N 3.07Å; V51-V54 PolarHBondContact O-N 3.41Å; V51-G55 PolarHBondContact O-N 3.41Å |
| 52 | I | 92.8 | Very high | 86.4 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 176.7 | -66.1 | 171.6 | 0 | 0 | 0 | 110.7 | A33 V34 I48 G49 G50 V54 G55 V56 | A33-I52 HydrophobicContact CB-CD1 4.28Å; A33-I52 HydrophobicContact CB-CG1 3.64Å; V34-I52 HydrophobicContact CG2-CD1 4.35Å; I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.41Å; I48-I52 WeakPolarHBondContact O-CG1 3.16Å; I48-I52 PolarHBondContact O-N 2.03Å; G49-I52 PolarHBondContact O-N 3.29Å; G50-I52 VanDerWaalsContact C-N 3.34Å; G50-I52 PolarHBondContact O-N 2.9Å; I52-V54 VanDerWaalsContact C-N 3.34Å; I52-V54 PolarHBondContact O-N 3.42Å; I52-G55 PolarHBondContact O-N 2.91Å; I52-V56 HydrophobicContact CG2-CG2 4.34Å; I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 2.63Å |
| 53 | A | 94.7 | Very high | 88.1 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G49 G50 V56 F57 | G49-A53 VanDerWaalsContact O-CB 3.31Å; G49-A53 WeakPolarHBondContact O-CB 3.33Å; G49-A53 PolarHBondContact O-N 2.74Å; G50-A53 PolarHBondContact O-N 2.89Å; A53-V56 PolarHBondContact O-N 3.04Å; A53-F57 VanDerWaalsContact O-CB 3.32Å; A53-F57 WeakPolarHBondContact O-CB 3.28Å; A53-F57 PolarHBondContact O-N 3.07Å |
| 54 | V | 93.6 | Very high | 90 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 47% | 0.473 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | L29 G50 V51 I52 V56 F57 L58 | L29-V54 HydrophobicContact CD1-CG1 4.46Å; G50-V54 WeakPolarHBondContact O-CG2 3.47Å; G50-V54 PolarHBondContact O-N 3.49Å; V51-V54 PolarHBondContact O-N 3.41Å; I52-V54 VanDerWaalsContact C-N 3.34Å; I52-V54 PolarHBondContact O-N 3.42Å; V54-V56 PolarHBondContact O-N 3.41Å; V54-F57 PolarHBondContact O-N 3.23Å; V54-L58 HydrophobicContact CG1-CD1 3.99Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.23Å |
| 55 | G | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V51 I52 L58 L59 | V51-G55 PolarHBondContact O-N 3.41Å; I52-G55 PolarHBondContact O-N 2.91Å; G55-L58 PolarHBondContact O-N 3.4Å; G55-L59 WeakPolarHBondContact O-CG 3.33Å; G55-L59 PolarHBondContact O-N 3.06Å |
| 56 | V | 96.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 54 Ų | 54 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | I30 I52 A53 V54 L58 L59 L60 | I30-V56 HydrophobicContact CD1-CG2 3.74Å; I30-V56 HydrophobicContact CG1-CG2 4.43Å; I52-V56 HydrophobicContact CG2-CG2 4.34Å; I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 2.63Å; A53-V56 PolarHBondContact O-N 3.04Å; V54-V56 PolarHBondContact O-N 3.41Å; V56-L58 PolarHBondContact O-N 3.01Å; V56-L59 WeakPolarHBondContact O-CB 3.38Å; V56-L59 PolarHBondContact O-N 2.99Å; V56-L60 HydrophobicContact CG1-CD1 4.38Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 3.07Å |
| 57 | F | 95.7 | Very high | 93.3 | Very high | 102 Ų | 102 | 48.8 Ų | 48.8 | 45% | 0.447 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.5 | 178.1 | -108.8 | 0 | 0 | 0 | 112.1 | A53 V54 L59 L60 I61 I83 V87 | A53-F57 VanDerWaalsContact O-CB 3.32Å; A53-F57 WeakPolarHBondContact O-CB 3.28Å; A53-F57 PolarHBondContact O-N 3.07Å; V54-F57 PolarHBondContact O-N 3.23Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.19Å; F57-L60 PolarHBondContact O-N 3.45Å; F57-I61 HydrophobicContact CD1-CD1 3.77Å; F57-I61 HydrophobicContact CD2-CD1 4.36Å; F57-I61 HydrophobicContact CE1-CD1 3.28Å; F57-I61 HydrophobicContact CE2-CD1 3.93Å; F57-I61 HydrophobicContact CE2-CG1 4.47Å; F57-I61 HydrophobicContact CG-CD1 4.31Å; F57-I61 HydrophobicContact CZ-CD1 3.39Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.15Å; F57-I61 PolarHBondContact O-N 3.25Å; F57-I61 VanDerWaalsContact O-N 3.09Å; F57-I83 HydrophobicContact CZ-CG2 4.29Å; F57-V87 HydrophobicContact CE1-CG2 3.87Å; F57-V87 HydrophobicContact CZ-CG2 4.26Å |
| 58 | L | 94.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175 | -72.9 | 173.5 | 0 | 0 | 0 | 112.1 | L29 V54 G55 V56 I61 A62 | L29-L58 HydrophobicContact CD1-CD1 3.85Å; V54-L58 HydrophobicContact CG1-CD1 3.99Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.23Å; G55-L58 PolarHBondContact O-N 3.4Å; V56-L58 PolarHBondContact O-N 3.01Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-A62 VanDerWaalsContact O-CB 3.24Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.25Å |
| 59 | L | 96.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.6 | -76.3 | 170.6 | 0 | 0 | 0 | 112.4 | M23 L27 I30 G55 V56 F57 A62 I63 | M23-L59 HydrophobicContact CB-CD2 4.19Å; M23-L59 HydrophobicContact CG-CD2 4.4Å; M23-L59 WeakPolarHBondContact O-CD2 3.37Å; L27-L59 HydrophobicContact CD2-CD1 3.98Å; L27-L59 HydrophobicContact CD2-CD2 4.21Å; L27-L59 HydrophobicContact CG-CD1 4.47Å; L27-L59 HydrophobicContact CG-CD2 3.95Å; I30-L59 HydrophobicContact CD1-CD1 3.48Å; I30-L59 VanDerWaalsContact CD1-CD1 3.48Å; G55-L59 WeakPolarHBondContact O-CG 3.33Å; G55-L59 PolarHBondContact O-N 3.06Å; V56-L59 WeakPolarHBondContact O-CB 3.38Å; V56-L59 PolarHBondContact O-N 2.99Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.19Å; L59-A62 PolarHBondContact O-N 3.38Å; L59-I63 WeakPolarHBondContact O-CD1 3.28Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3Å; L59-I63 PolarHBondContact O-N 3.36Å |
| 60 | L | 96.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 44.8 Ų | 44.8 | 55% | 0.55 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 179 | -68 | 174.8 | 0 | 0 | 0 | 111.4 | V56 F57 A62 I63 V64 | V56-L60 HydrophobicContact CG1-CD1 4.38Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 3.07Å; F57-L60 PolarHBondContact O-N 3.45Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.49Å; L60-I63 PolarHBondContact O-N 3.43Å; L60-V64 WeakPolarHBondContact O-CG2 3.24Å; L60-V64 PolarHBondContact O-N 3.03Å |
| 61 | I | 95.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.9 | -67.6 | 169.8 | 0 | 0 | 0 | 110.8 | F57 L58 I63 V64 G65 Y80 I83 L84 V87 | F57-I61 HydrophobicContact CD1-CD1 3.77Å; F57-I61 HydrophobicContact CD2-CD1 4.36Å; F57-I61 HydrophobicContact CE1-CD1 3.28Å; F57-I61 HydrophobicContact CE2-CD1 3.93Å; F57-I61 HydrophobicContact CE2-CG1 4.47Å; F57-I61 HydrophobicContact CG-CD1 4.31Å; F57-I61 HydrophobicContact CZ-CD1 3.39Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.15Å; F57-I61 PolarHBondContact O-N 3.25Å; F57-I61 VanDerWaalsContact O-N 3.09Å; L58-I61 PolarHBondContact O-N 3.37Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.16Å; I61-V64 PolarHBondContact O-N 2.82Å; I61-G65 PolarHBondContact O-N 3.39Å; I61-Y80 HydrophobicContact CG2-CD2 3.92Å; I61-Y80 HydrophobicContact CG2-CE2 3.92Å; I61-I83 HydrophobicContact CD1-CG2 3.43Å; I61-I83 VanDerWaalsContact CD1-CG2 3.43Å; I61-I83 HydrophobicContact CG1-CG2 3.86Å; I61-L84 HydrophobicContact CG2-CD2 4.03Å; I61-V87 HydrophobicContact CD1-CG2 4.44Å |
| 62 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N19 M23 L58 L59 L60 G65 L66 | N19-A62 WeakPolarHBondContact OD1-CA 3.28Å; N19-A62 PolarHBondContact OD1-O 3.01Å; M23-A62 HydrophobicContact CB-CB 4.48Å; M23-A62 HydrophobicContact CG-CB 3.54Å; L58-A62 VanDerWaalsContact O-CB 3.24Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.25Å; L59-A62 PolarHBondContact O-N 3.38Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.49Å; A62-G65 PolarHBondContact O-N 3.3Å; A62-L66 VanDerWaalsContact O-CB 3.23Å; A62-L66 WeakPolarHBondContact O-CB 3.04Å; A62-L66 PolarHBondContact O-N 2.92Å |
| 63 | I | 95.6 | Very high | 93.8 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 41% | 0.41 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 173.3 | -69.2 | 163.9 | 0 | 0 | 0 | 110.6 | M23 L59 L60 I61 G65 L66 V67 | M23-I63 HydrophobicContact CE-CG1 4.45Å; M23-I63 HydrophobicContact SD-CG1 4.48Å; L59-I63 WeakPolarHBondContact O-CD1 3.28Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3Å; L59-I63 PolarHBondContact O-N 3.36Å; L60-I63 PolarHBondContact O-N 3.43Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.16Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.49Å; I63-L66 PolarHBondContact O-N 2.71Å; I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CB 3.41Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.47Å; I63-V67 PolarHBondContact O-N 3.44Å |
| 64 | V | 95.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | L60 I61 G68 M76 | L60-V64 WeakPolarHBondContact O-CG2 3.24Å; L60-V64 PolarHBondContact O-N 3.03Å; I61-V64 PolarHBondContact O-N 2.82Å; V64-G68 PolarHBondContact O-N 3.36Å; V64-M76 HydrophobicContact CG1-CB 4.44Å |
| 65 | G | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I61 A62 I63 A69 | I61-G65 PolarHBondContact O-N 3.39Å; A62-G65 PolarHBondContact O-N 3.3Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.49Å; G65-A69 VanDerWaalsContact O-CB 3.32Å; G65-A69 WeakPolarHBondContact O-CB 3.31Å; G65-A69 PolarHBondContact O-N 3.31Å |
| 66 | L | 94.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -49.1 | 178.7 | -176 | 63.7 | 0 | 0 | 0 | 112 | C16 N19 V20 M23 A62 I63 G68 A69 I70 | C16-L66 HydrophobicContact CB-CD1 3.93Å; N19-L66 HydrophobicContact CB-CB 4.07Å; V20-L66 HydrophobicContact CG2-CD1 4.39Å; M23-L66 HydrophobicContact SD-CD2 4Å; A62-L66 VanDerWaalsContact O-CB 3.23Å; A62-L66 WeakPolarHBondContact O-CB 3.04Å; A62-L66 PolarHBondContact O-N 2.92Å; I63-L66 PolarHBondContact O-N 2.71Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.27Å; L66-A69 PolarHBondContact O-N 3.11Å; L66-I70 HydrophobicContact CD1-CD1 3.99Å; L66-I70 HydrophobicContact CD1-CG1 4.35Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 VanDerWaalsContact O-CG1 3.32Å; L66-I70 WeakPolarHBondContact O-CG1 3.08Å; L66-I70 PolarHBondContact O-N 3.11Å |
| 67 | V | 94.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | I63 A69 I70 H71 M76 | I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CB 3.41Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.47Å; I63-V67 PolarHBondContact O-N 3.44Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.45Å; V67-I70 PolarHBondContact O-N 3.4Å; V67-H71 WeakPolarHBondContact O-CB 3.34Å; V67-H71 PolarHBondContact O-CD2 3.47Å; V67-H71 PolarHBondContact O-N 2.83Å; V67-M76 HydrophobicContact CG1-CE 3.62Å; V67-M76 HydrophobicContact CG1-SD 4.14Å |
| 68 | G | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.1 | -50.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V64 L66 H72 H73 L77 | V64-G68 PolarHBondContact O-N 3.36Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.27Å; G68-H72 VanDerWaalsContact O-CA 3.29Å; G68-H72 WeakPolarHBondContact O-CA 3.44Å; G68-H72 PolarHBondContact O-N 3.49Å; G68-H73 PolarHBondContact O-N 2.9Å; G68-L77 WeakPolarHBondContact O-CD1 3.15Å |
| 69 | A | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K12 L15 G65 L66 V67 Y200 | K12-A69 WeakPolarHBondContact CE-O 3.38Å; L15-A69 HydrophobicContact CB-CB 4.34Å; L15-A69 HydrophobicContact CD2-CB 3.84Å; L15-A69 HydrophobicContact CG-CB 4.04Å; G65-A69 VanDerWaalsContact O-CB 3.32Å; G65-A69 WeakPolarHBondContact O-CB 3.31Å; G65-A69 PolarHBondContact O-N 3.31Å; L66-A69 PolarHBondContact O-N 3.11Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.45Å; A69-Y200 PolarHBondContact O-OH 3.1Å |
| 70 | I | 91.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 52.6 Ų | 52.6 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | -178.5 | -70.4 | 170.4 | 0 | 0 | 0 | 111.2 | K12 L66 V67 | K12-I70 PolarHBondContact NZ-O 3.36Å; L66-I70 HydrophobicContact CD1-CD1 3.99Å; L66-I70 HydrophobicContact CD1-CG1 4.35Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 VanDerWaalsContact O-CG1 3.32Å; L66-I70 WeakPolarHBondContact O-CG1 3.08Å; L66-I70 PolarHBondContact O-N 3.11Å; V67-I70 PolarHBondContact O-N 3.4Å |
| 71 | H | 88.9 | Confident | 92.4 | Very high | 135 Ų | 135 | 48.4 Ų | 48.4 | 63% | 0.625 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -92.2 | -0.1 | -174.7 | -68.8 | -80.8 | 0 | 0 | 0 | 114.2 | V67 H73 | V67-H71 WeakPolarHBondContact O-CB 3.34Å; V67-H71 PolarHBondContact O-CD2 3.47Å; V67-H71 PolarHBondContact O-N 2.83Å; H71-H73 HydrophobicContact CB-CB 4.49Å; H71-H73 PolarHBondContact O-N 3.28Å; H71-H73 VanDerWaalsContact O-N 3.16Å |
| 72 | H | 88.1 | Confident | 92.3 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.6 | -172.7 | -159.2 | -116.7 | 0 | 0 | 0 | 113.2 | F8 G68 Q74 Y200 Q203 | F8-H72 AromaticContact CE2-CD2 3.64Å; F8-H72 AromaticContact CE2-CE1 3.97Å; F8-H72 AromaticContact CE2-NE2 3.49Å; F8-H72 WeakPolarHBondContact CE2-NE2 3.4Å; F8-H72 AromaticContact CZ-CD2 3.85Å; G68-H72 VanDerWaalsContact O-CA 3.29Å; G68-H72 WeakPolarHBondContact O-CA 3.44Å; G68-H72 PolarHBondContact O-N 3.49Å; H72-Q74 PolarHBondContact CE1-NE2 2.85Å; H72-Q74 PolarHBondContact ND1-NE2 3.3Å; H72-Q74 PolarHBondContact O-N 2.91Å; H72-Y200 AromaticContact CD2-CE1 3.5Å; H72-Y200 VanDerWaalsContact CD2-CE1 3.5Å; H72-Y200 WeakPolarHBondContact CD2-CE1 3.28Å; H72-Y200 AromaticContact CD2-CE2 3.96Å; H72-Y200 AromaticContact CD2-CZ 3.38Å; H72-Y200 PolarHBondContact CD2-OH 3.3Å; H72-Y200 PolarHBondContact NE2-O 3.32Å; H72-Y200 VanDerWaalsContact NE2-O 3.14Å; H72-Q203 PolarHBondContact CE1-O 2.96Å |
| 73 | H | 89.1 | Confident | 92.3 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | trans | -77.4 | 96.4 | -172.9 | -167.7 | -65.3 | 0 | 0 | 0 | 111.3 | G68 H71 V75 M76 L77 | G68-H73 PolarHBondContact O-N 2.9Å; H71-H73 HydrophobicContact CB-CB 4.49Å; H71-H73 PolarHBondContact O-N 3.28Å; H71-H73 VanDerWaalsContact O-N 3.16Å; H73-V75 VanDerWaalsContact C-N 3.29Å; H73-V75 PolarHBondContact O-N 3.44Å; H73-V75 VanDerWaalsContact O-N 3.09Å; H73-M76 HydrophobicContact CB-CB 4.27Å; H73-M76 HydrophobicContact CB-CE 3.36Å; H73-M76 HydrophobicContact CB-CG 4.4Å; H73-M76 VanDerWaalsContact CG-CE 3.42Å; H73-M76 PolarHBondContact ND1-N 3.46Å; H73-M76 PolarHBondContact O-N 2.9Å; H73-L77 WeakPolarHBondContact O-CD1 3.33Å; H73-L77 PolarHBondContact O-N 3.43Å; H73-L77 VanDerWaalsContact O-N 3.12Å | ||
| 74 | Q | 87.4 | Confident | 92.2 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -45.8 | -45.1 | -172.7 | -65.8 | -71.9 | -38.9 | 0 | 0 | 114.5 | H72 F78 R201 | H72-Q74 PolarHBondContact CE1-NE2 2.85Å; H72-Q74 PolarHBondContact ND1-NE2 3.3Å; H72-Q74 PolarHBondContact O-N 2.91Å; Q74-F78 PolarHBondContact O-N 3.49Å; Q74-R201 PolarHBondContact NE2-O 2.89Å |
| 75 | V | 90.5 | Very high | 92.2 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | H73 F78 F79 | H73-V75 VanDerWaalsContact C-N 3.29Å; H73-V75 PolarHBondContact O-N 3.44Å; H73-V75 VanDerWaalsContact O-N 3.09Å; V75-F78 WeakPolarHBondContact O-CB 3.21Å; V75-F78 PolarHBondContact O-N 3.49Å; V75-F79 HydrophobicContact CG1-CD2 3.9Å; V75-F79 HydrophobicContact CG1-CE2 3.55Å; V75-F79 VanDerWaalsContact O-CD2 3.24Å; V75-F79 WeakPolarHBondContact O-CD2 3.32Å; V75-F79 PolarHBondContact O-N 3.06Å; V75-F79 VanDerWaalsContact O-N 3.13Å |
| 76 | M | 90.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 179.2 | -74 | -164.4 | -81.6 | 0 | 0 | 110.6 | V64 V67 H73 F78 F79 Y80 | V64-M76 HydrophobicContact CG1-CB 4.44Å; V67-M76 HydrophobicContact CG1-CE 3.62Å; V67-M76 HydrophobicContact CG1-SD 4.14Å; H73-M76 HydrophobicContact CB-CB 4.27Å; H73-M76 HydrophobicContact CB-CE 3.36Å; H73-M76 HydrophobicContact CB-CG 4.4Å; H73-M76 VanDerWaalsContact CG-CE 3.42Å; H73-M76 PolarHBondContact ND1-N 3.46Å; H73-M76 PolarHBondContact O-N 2.9Å; M76-F78 VanDerWaalsContact C-N 3.26Å; M76-F78 PolarHBondContact O-N 3.42Å; M76-F79 PolarHBondContact O-N 3.18Å; M76-Y80 VanDerWaalsContact O-CB 3.28Å; M76-Y80 WeakPolarHBondContact O-CB 3.07Å; M76-Y80 PolarHBondContact O-N 3.44Å |
| 77 | L | 90.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 172.1 | -81.7 | 90.8 | 0 | 0 | 0 | 112.1 | L15 G68 H73 Y80 M81 Y200 R201 | L15-L77 HydrophobicContact CD2-CD2 4.24Å; G68-L77 WeakPolarHBondContact O-CD1 3.15Å; H73-L77 WeakPolarHBondContact O-CD1 3.33Å; H73-L77 PolarHBondContact O-N 3.43Å; H73-L77 VanDerWaalsContact O-N 3.12Å; L77-Y80 PolarHBondContact O-N 3.32Å; L77-M81 WeakPolarHBondContact O-CB 3.37Å; L77-M81 WeakPolarHBondContact O-CE 3.28Å; L77-M81 VanDerWaalsContact O-CG 3.23Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.47Å; L77-Y200 HydrophobicContact CD2-CD1 3.74Å; L77-Y200 HydrophobicContact CD2-CE1 4.36Å; L77-R201 HydrophobicContact CD2-CB 4.27Å |
| 78 | F | 91.9 | Very high | 92.3 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -51.8 | 176.6 | 178.8 | -114.3 | 0 | 0 | 0 | 112.2 | Q74 V75 M76 Y80 M81 V82 | Q74-F78 PolarHBondContact O-N 3.49Å; V75-F78 WeakPolarHBondContact O-CB 3.21Å; V75-F78 PolarHBondContact O-N 3.49Å; M76-F78 VanDerWaalsContact C-N 3.26Å; M76-F78 PolarHBondContact O-N 3.42Å; F78-Y80 VanDerWaalsContact C-N 3.33Å; F78-Y80 PolarHBondContact O-N 2.97Å; F78-M81 HydrophobicContact CB-CE 4.47Å; F78-M81 HydrophobicContact CD2-CE 4.31Å; F78-M81 PolarHBondContact O-N 2.98Å; F78-V82 HydrophobicContact CD2-CG2 4.37Å; F78-V82 HydrophobicContact CE1-CG2 4.39Å; F78-V82 HydrophobicContact CE2-CG2 4.02Å; F78-V82 HydrophobicContact CZ-CG2 4.03Å; F78-V82 WeakPolarHBondContact O-CG2 3.46Å; F78-V82 PolarHBondContact O-N 2.78Å; F78-V82 VanDerWaalsContact O-N 3.07Å |
| 79 | F | 93.5 | Very high | 92.5 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 52% | 0.518 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.5 | -73.8 | -64.9 | 0 | 0 | 0 | 112.1 | V75 M76 M81 V82 I83 | V75-F79 HydrophobicContact CG1-CD2 3.9Å; V75-F79 HydrophobicContact CG1-CE2 3.55Å; V75-F79 VanDerWaalsContact O-CD2 3.24Å; V75-F79 WeakPolarHBondContact O-CD2 3.32Å; V75-F79 PolarHBondContact O-N 3.06Å; V75-F79 VanDerWaalsContact O-N 3.13Å; M76-F79 PolarHBondContact O-N 3.18Å; F79-M81 PolarHBondContact O-N 3.27Å; F79-V82 PolarHBondContact O-N 3.46Å; F79-I83 WeakPolarHBondContact O-CB 3.4Å; F79-I83 VanDerWaalsContact O-CG1 3.24Å; F79-I83 WeakPolarHBondContact O-CG1 3.25Å; F79-I83 PolarHBondContact O-N 2.93Å |
| 80 | Y | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 175.3 | 171.6 | -98.3 | 0 | 0 | 0 | 112.3 | L15 L18 N19 I61 M76 L77 F78 V82 I83 L84 A197 | L15-Y80 HydrophobicContact CD1-CE1 4.03Å; L18-Y80 WeakPolarHBondContact CD2-OH 3.44Å; N19-Y80 PolarHBondContact ND2-OH 2.87Å; N19-Y80 VanDerWaalsContact OD1-CE2 3.27Å; N19-Y80 WeakPolarHBondContact OD1-CE2 3.34Å; N19-Y80 PolarHBondContact OD1-OH 3.45Å; I61-Y80 HydrophobicContact CG2-CD2 3.92Å; I61-Y80 HydrophobicContact CG2-CE2 3.92Å; M76-Y80 VanDerWaalsContact O-CB 3.28Å; M76-Y80 WeakPolarHBondContact O-CB 3.07Å; M76-Y80 PolarHBondContact O-N 3.44Å; L77-Y80 PolarHBondContact O-N 3.32Å; F78-Y80 VanDerWaalsContact C-N 3.33Å; F78-Y80 PolarHBondContact O-N 2.97Å; Y80-V82 PolarHBondContact O-N 3.4Å; Y80-I83 PolarHBondContact O-N 3.45Å; Y80-L84 HydrophobicContact CD1-CD1 4.13Å; Y80-L84 HydrophobicContact CD2-CD1 4.47Å; Y80-L84 HydrophobicContact CD2-CG 4.35Å; Y80-L84 HydrophobicContact CE1-CD1 3.39Å; Y80-L84 HydrophobicContact CE1-CG 4.2Å; Y80-L84 HydrophobicContact CE2-CD1 3.81Å; Y80-L84 HydrophobicContact CE2-CD2 4.42Å; Y80-L84 HydrophobicContact CE2-CG 3.99Å; Y80-L84 WeakPolarHBondContact O-CB 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.44Å; Y80-L84 PolarHBondContact O-N 3.49Å; Y80-L84 WeakPolarHBondContact OH-CD1 3.44Å; Y80-A197 HydrophobicContact CD1-CB 4.16Å; Y80-A197 HydrophobicContact CE1-CB 4.09Å |
| 81 | M | 92.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.4 | -73.2 | -179 | -57.9 | 0 | 0 | 112.5 | L77 F78 F79 F85 A197 V198 | L77-M81 WeakPolarHBondContact O-CB 3.37Å; L77-M81 WeakPolarHBondContact O-CE 3.28Å; L77-M81 VanDerWaalsContact O-CG 3.23Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.47Å; F78-M81 HydrophobicContact CB-CE 4.47Å; F78-M81 HydrophobicContact CD2-CE 4.31Å; F78-M81 PolarHBondContact O-N 2.98Å; F79-M81 PolarHBondContact O-N 3.27Å; M81-F85 VanDerWaalsContact O-CB 3.31Å; M81-F85 WeakPolarHBondContact O-CB 3.31Å; M81-F85 PolarHBondContact O-N 3.37Å; M81-A197 HydrophobicContact CG-CB 3.46Å; M81-A197 VanDerWaalsContact CG-CB 3.46Å; M81-A197 VanDerWaalsContact SD-C 3.6Å; M81-A197 HydrophobicContact SD-CB 3.82Å; M81-V198 VanDerWaalsContact SD-CA 3.6Å; M81-V198 HydrophobicContact SD-CB 4.11Å; M81-V198 HydrophobicContact SD-CG2 3.39Å; M81-V198 WeakPolarHBondContact SD-CG2 3.15Å; M81-V198 PolarHBondContact SD-N 3.18Å; M81-V198 VanDerWaalsContact SD-N 3.35Å |
| 82 | V | 95.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 179 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | F78 F79 Y80 F85 I86 | F78-V82 HydrophobicContact CD2-CG2 4.37Å; F78-V82 HydrophobicContact CE1-CG2 4.39Å; F78-V82 HydrophobicContact CE2-CG2 4.02Å; F78-V82 HydrophobicContact CZ-CG2 4.03Å; F78-V82 WeakPolarHBondContact O-CG2 3.46Å; F78-V82 PolarHBondContact O-N 2.78Å; F78-V82 VanDerWaalsContact O-N 3.07Å; F79-V82 PolarHBondContact O-N 3.46Å; Y80-V82 PolarHBondContact O-N 3.4Å; V82-F85 PolarHBondContact O-N 3.49Å; V82-I86 HydrophobicContact CG1-CD1 3.97Å; V82-I86 WeakPolarHBondContact O-CG1 3.48Å; V82-I86 PolarHBondContact O-N 3.46Å |
| 83 | I | 95.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 179.7 | -66.8 | 165.3 | 0 | 0 | 0 | 110.3 | F57 I61 F79 Y80 F85 I86 V87 | F57-I83 HydrophobicContact CZ-CG2 4.29Å; I61-I83 HydrophobicContact CD1-CG2 3.43Å; I61-I83 VanDerWaalsContact CD1-CG2 3.43Å; I61-I83 HydrophobicContact CG1-CG2 3.86Å; F79-I83 WeakPolarHBondContact O-CB 3.4Å; F79-I83 VanDerWaalsContact O-CG1 3.24Å; F79-I83 WeakPolarHBondContact O-CG1 3.25Å; F79-I83 PolarHBondContact O-N 2.93Å; Y80-I83 PolarHBondContact O-N 3.45Å; I83-F85 VanDerWaalsContact C-N 3.26Å; I83-F85 PolarHBondContact O-N 2.93Å; I83-I86 PolarHBondContact O-N 3.42Å; I83-I86 VanDerWaalsContact O-N 3.15Å; I83-V87 HydrophobicContact CG2-CG2 4.32Å; I83-V87 WeakPolarHBondContact O-CG2 3.09Å; I83-V87 PolarHBondContact O-N 3.17Å |
| 84 | L | 93.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 177.3 | -80.7 | -167.5 | 0 | 0 | 0 | 112.5 | Y22 I61 Y80 V87 F88 V194 | Y22-L84 HydrophobicContact CE2-CD2 4.47Å; I61-L84 HydrophobicContact CG2-CD2 4.03Å; Y80-L84 HydrophobicContact CD1-CD1 4.13Å; Y80-L84 HydrophobicContact CD2-CD1 4.47Å; Y80-L84 HydrophobicContact CD2-CG 4.35Å; Y80-L84 HydrophobicContact CE1-CD1 3.39Å; Y80-L84 HydrophobicContact CE1-CG 4.2Å; Y80-L84 HydrophobicContact CE2-CD1 3.81Å; Y80-L84 HydrophobicContact CE2-CD2 4.42Å; Y80-L84 HydrophobicContact CE2-CG 3.99Å; Y80-L84 WeakPolarHBondContact O-CB 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.44Å; Y80-L84 PolarHBondContact O-N 3.49Å; Y80-L84 WeakPolarHBondContact OH-CD1 3.44Å; L84-V87 PolarHBondContact O-N 3.3Å; L84-F88 VanDerWaalsContact O-CB 3.28Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 3.28Å; L84-V194 HydrophobicContact CB-CG2 3.64Å; L84-V194 HydrophobicContact CD1-CG2 4.27Å |
| 85 | F | 94.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.7 | -175.7 | -108.6 | 0 | 0 | 0 | 112.1 | M81 V82 I83 F88 L89 V194 | M81-F85 VanDerWaalsContact O-CB 3.31Å; M81-F85 WeakPolarHBondContact O-CB 3.31Å; M81-F85 PolarHBondContact O-N 3.37Å; V82-F85 PolarHBondContact O-N 3.49Å; I83-F85 VanDerWaalsContact C-N 3.26Å; I83-F85 PolarHBondContact O-N 2.93Å; F85-F88 HydrophobicContact CD2-CD1 4.23Å; F85-F88 HydrophobicContact CE2-CD1 4.22Å; F85-F88 HydrophobicContact CE2-CE1 4.5Å; F85-F88 WeakPolarHBondContact O-CB 3.4Å; F85-F88 PolarHBondContact O-N 2.87Å; F85-L89 HydrophobicContact CD1-CD1 4.27Å; F85-L89 HydrophobicContact CE1-CD1 3.84Å; F85-L89 HydrophobicContact CE1-CG 4.3Å; F85-L89 HydrophobicContact CZ-CD1 4.3Å; F85-L89 HydrophobicContact CZ-CD2 4.24Å; F85-L89 HydrophobicContact CZ-CG 4.38Å; F85-L89 WeakPolarHBondContact O-CG 3.37Å; F85-L89 PolarHBondContact O-N 3.45Å; F85-L89 VanDerWaalsContact O-N 3.09Å; F85-V194 HydrophobicContact CB-CG2 4.47Å |
| 86 | I | 95.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 175.1 | -67.7 | 167.5 | 0 | 0 | 0 | 110.7 | V82 I83 F88 L89 F90 | V82-I86 HydrophobicContact CG1-CD1 3.97Å; V82-I86 WeakPolarHBondContact O-CG1 3.48Å; V82-I86 PolarHBondContact O-N 3.46Å; I83-I86 PolarHBondContact O-N 3.42Å; I83-I86 VanDerWaalsContact O-N 3.15Å; I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 PolarHBondContact O-N 3.04Å; I86-L89 PolarHBondContact O-N 2.92Å; I86-F90 HydrophobicContact CG2-CD2 3.82Å; I86-F90 HydrophobicContact CG2-CE2 3.61Å; I86-F90 VanDerWaalsContact O-CD2 3.28Å; I86-F90 WeakPolarHBondContact O-CD2 3.23Å; I86-F90 PolarHBondContact O-N 3.25Å |
| 87 | V | 94.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | F57 I61 I83 L84 L89 F90 Q91 E190 | F57-V87 HydrophobicContact CE1-CG2 3.87Å; F57-V87 HydrophobicContact CZ-CG2 4.26Å; I61-V87 HydrophobicContact CD1-CG2 4.44Å; I83-V87 HydrophobicContact CG2-CG2 4.32Å; I83-V87 WeakPolarHBondContact O-CG2 3.09Å; I83-V87 PolarHBondContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 3.3Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.2Å; V87-F90 PolarHBondContact O-N 3.4Å; V87-Q91 VanDerWaalsContact O-CB 3.27Å; V87-Q91 WeakPolarHBondContact O-CB 3.22Å; V87-Q91 PolarHBondContact O-N 3.02Å; V87-E190 VanDerWaalsContact CG1-OE1 3.25Å; V87-E190 WeakPolarHBondContact CG1-OE1 3.5Å |
| 88 | F | 95.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -46.6 | 174.7 | 162.5 | -99.7 | 0 | 0 | 0 | 112.3 | L84 F85 I86 F90 Q91 F92 S187 E190 I191 | L84-F88 VanDerWaalsContact O-CB 3.28Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 3.28Å; F85-F88 HydrophobicContact CD2-CD1 4.23Å; F85-F88 HydrophobicContact CE2-CD1 4.22Å; F85-F88 HydrophobicContact CE2-CE1 4.5Å; F85-F88 WeakPolarHBondContact O-CB 3.4Å; F85-F88 PolarHBondContact O-N 2.87Å; I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 PolarHBondContact O-N 3.04Å; F88-F90 PolarHBondContact O-N 2.87Å; F88-Q91 PolarHBondContact O-N 2.92Å; F88-F92 HydrophobicContact CD2-CB 4.46Å; F88-F92 HydrophobicContact CE2-CB 4.17Å; F88-F92 HydrophobicContact CE2-CD2 4.4Å; F88-F92 HydrophobicContact CE2-CG 4.4Å; F88-F92 HydrophobicContact CZ-CB 4.39Å; F88-F92 HydrophobicContact CZ-CG 4.39Å; F88-F92 WeakPolarHBondContact O-CB 3.35Å; F88-F92 PolarHBondContact O-N 3.49Å; F88-S187 WeakPolarHBondContact CD2-O 3.09Å; F88-E190 VanDerWaalsContact CA-OE2 3.31Å; F88-E190 WeakPolarHBondContact CA-OE2 3.49Å; F88-E190 HydrophobicContact CB-CB 4.32Å; F88-I191 HydrophobicContact CD2-CB 4.32Å; F88-I191 HydrophobicContact CE2-CB 4.24Å |
| 89 | L | 96.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 57 Ų | 57 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | -179.7 | -68.8 | 176 | 0 | 0 | 0 | 112.1 | F85 I86 V87 G93 | F85-L89 HydrophobicContact CD1-CD1 4.27Å; F85-L89 HydrophobicContact CE1-CD1 3.84Å; F85-L89 HydrophobicContact CE1-CG 4.3Å; F85-L89 HydrophobicContact CZ-CD1 4.3Å; F85-L89 HydrophobicContact CZ-CD2 4.24Å; F85-L89 HydrophobicContact CZ-CG 4.38Å; F85-L89 WeakPolarHBondContact O-CG 3.37Å; F85-L89 PolarHBondContact O-N 3.45Å; F85-L89 VanDerWaalsContact O-N 3.09Å; I86-L89 PolarHBondContact O-N 2.92Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.2Å; L89-G93 PolarHBondContact O-N 3.43Å |
| 90 | F | 95.6 | Very high | 95.2 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.5 | -46.7 | 178.1 | -76.1 | -67.2 | 0 | 0 | 0 | 111.6 | I86 V87 F88 G93 V94 | I86-F90 HydrophobicContact CG2-CD2 3.82Å; I86-F90 HydrophobicContact CG2-CE2 3.61Å; I86-F90 VanDerWaalsContact O-CD2 3.28Å; I86-F90 WeakPolarHBondContact O-CD2 3.23Å; I86-F90 PolarHBondContact O-N 3.25Å; V87-F90 PolarHBondContact O-N 3.4Å; F88-F90 PolarHBondContact O-N 2.87Å; F90-G93 PolarHBondContact O-N 3.14Å; F90-V94 WeakPolarHBondContact O-CB 3.28Å; F90-V94 WeakPolarHBondContact O-CG2 3.12Å; F90-V94 PolarHBondContact O-N 3.27Å |
| 91 | Q | 94.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 23% | 0.229 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | -176.4 | -169.2 | 174.6 | -61.7 | 0 | 0 | 111.6 | V87 F88 G93 S95 G183 S187 E190 | V87-Q91 VanDerWaalsContact O-CB 3.27Å; V87-Q91 WeakPolarHBondContact O-CB 3.22Å; V87-Q91 PolarHBondContact O-N 3.02Å; F88-Q91 PolarHBondContact O-N 2.92Å; Q91-G93 VanDerWaalsContact C-N 3.34Å; Q91-G93 PolarHBondContact O-N 3.45Å; Q91-S95 WeakPolarHBondContact O-CB 3.32Å; Q91-S95 PolarHBondContact O-N 3.37Å; Q91-S95 PolarHBondContact O-OG 3.07Å; Q91-G183 PolarHBondContact NE2-O 3.49Å; Q91-S187 WeakPolarHBondContact CB-OG 3.25Å; Q91-S187 VanDerWaalsContact CG-OG 3.3Å; Q91-S187 WeakPolarHBondContact CG-OG 3.32Å; Q91-S187 PolarHBondContact NE2-OG 2.95Å; Q91-E190 PolarHBondContact OE1-OE1 2.92Å |
| 92 | F | 96.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 61 Ų | 61 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 174.2 | -177.7 | -101 | 0 | 0 | 0 | 111 | F88 S95 C96 L184 S187 | F88-F92 HydrophobicContact CD2-CB 4.46Å; F88-F92 HydrophobicContact CE2-CB 4.17Å; F88-F92 HydrophobicContact CE2-CD2 4.4Å; F88-F92 HydrophobicContact CE2-CG 4.4Å; F88-F92 HydrophobicContact CZ-CB 4.39Å; F88-F92 HydrophobicContact CZ-CG 4.39Å; F88-F92 WeakPolarHBondContact O-CB 3.35Å; F88-F92 PolarHBondContact O-N 3.49Å; F92-S95 PolarHBondContact O-N 3.48Å; F92-C96 VanDerWaalsContact O-CB 3.32Å; F92-C96 WeakPolarHBondContact O-CB 3.17Å; F92-C96 PolarHBondContact O-N 3.09Å; F92-C96 PolarHBondContact O-SG 3.44Å; F92-L184 HydrophobicContact CD2-CD2 3.54Å; F92-L184 HydrophobicContact CE2-CD2 3.67Å; F92-S187 PolarHBondContact N-OG 3.49Å |
| 93 | G | 96.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L89 F90 Q91 S97 | L89-G93 PolarHBondContact O-N 3.43Å; F90-G93 PolarHBondContact O-N 3.14Å; Q91-G93 VanDerWaalsContact C-N 3.34Å; Q91-G93 PolarHBondContact O-N 3.45Å; G93-S97 WeakPolarHBondContact O-CB 3.49Å; G93-S97 PolarHBondContact O-N 3.38Å; G93-S97 PolarHBondContact O-OG 3.44Å |
| 94 | V | 95.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F90 S97 C98 | F90-V94 WeakPolarHBondContact O-CB 3.28Å; F90-V94 WeakPolarHBondContact O-CG2 3.12Å; F90-V94 PolarHBondContact O-N 3.27Å; V94-S97 WeakPolarHBondContact O-CB 3.39Å; V94-S97 PolarHBondContact O-N 2.92Å; V94-S97 VanDerWaalsContact O-N 3.17Å; V94-C98 PolarHBondContact O-N 3.03Å; V94-C98 PolarHBondContact O-SG 3.48Å; V94-C98 VanDerWaalsContact O-SG 3.34Å |
| 95 | S | 97 | Very high | 94.6 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | Q91 F92 S97 C98 L99 G180 G183 L184 | Q91-S95 WeakPolarHBondContact O-CB 3.32Å; Q91-S95 PolarHBondContact O-N 3.37Å; Q91-S95 PolarHBondContact O-OG 3.07Å; F92-S95 PolarHBondContact O-N 3.48Å; S95-S97 VanDerWaalsContact C-N 3.28Å; S95-S97 PolarHBondContact O-N 3.27Å; S95-C98 PolarHBondContact O-N 3.22Å; S95-L99 PolarHBondContact O-N 2.93Å; S95-G180 WeakPolarHBondContact CB-O 3.32Å; S95-G183 WeakPolarHBondContact OG-CA 3.48Å; S95-L184 PolarHBondContact OG-N 3.28Å |
| 96 | C | 96.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | F92 L99 A100 | F92-C96 VanDerWaalsContact O-CB 3.32Å; F92-C96 WeakPolarHBondContact O-CB 3.17Å; F92-C96 PolarHBondContact O-N 3.09Å; F92-C96 PolarHBondContact O-SG 3.44Å; C96-L99 PolarHBondContact O-N 2.81Å; C96-A100 VanDerWaalsContact O-CB 3.22Å; C96-A100 WeakPolarHBondContact O-CB 3.23Å; C96-A100 PolarHBondContact O-N 3.38Å |
| 97 | S | 95.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | G93 V94 S95 A100 M101 | G93-S97 WeakPolarHBondContact O-CB 3.49Å; G93-S97 PolarHBondContact O-N 3.38Å; G93-S97 PolarHBondContact O-OG 3.44Å; V94-S97 WeakPolarHBondContact O-CB 3.39Å; V94-S97 PolarHBondContact O-N 2.92Å; V94-S97 VanDerWaalsContact O-N 3.17Å; S95-S97 VanDerWaalsContact C-N 3.28Å; S95-S97 PolarHBondContact O-N 3.27Å; S97-A100 PolarHBondContact O-N 2.82Å; S97-M101 WeakPolarHBondContact O-CB 3.39Å; S97-M101 PolarHBondContact O-N 3.05Å |
| 98 | C | 94.9 | Very high | 94 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.2 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | V94 S95 L176 | V94-C98 PolarHBondContact O-N 3.03Å; V94-C98 PolarHBondContact O-SG 3.48Å; V94-C98 VanDerWaalsContact O-SG 3.34Å; S95-C98 PolarHBondContact O-N 3.22Å; C98-L176 HydrophobicContact CB-CD2 4.1Å |
| 99 | L | 94.1 | Very high | 93.7 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 38% | 0.382 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 178 | -75.7 | 163.8 | 0 | 0 | 0 | 113.2 | S95 C96 L184 | S95-L99 PolarHBondContact O-N 2.93Å; C96-L99 PolarHBondContact O-N 2.81Å; L99-L184 HydrophobicContact CD1-CD1 3.29Å; L99-L184 HydrophobicContact CD1-CG 3.99Å |
| 100 | A | 94.5 | Very high | 93.4 | Very high | 79 Ų | 79 | 66 Ų | 66 | 65% | 0.653 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -84.2 | -13.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C96 S97 N102 | C96-A100 VanDerWaalsContact O-CB 3.22Å; C96-A100 WeakPolarHBondContact O-CB 3.23Å; C96-A100 PolarHBondContact O-N 3.38Å; S97-A100 PolarHBondContact O-N 2.82Å; A100-N102 PolarHBondContact O-N 3.36Å |
| 101 | M | 93.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 63 Ų | 63 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | trans | -60.4 | 118.1 | -177.2 | -174.4 | 101.8 | 68.4 | 0 | 0 | 111.6 | S97 Q105 Q106 L176 | S97-M101 WeakPolarHBondContact O-CB 3.39Å; S97-M101 PolarHBondContact O-N 3.05Å; M101-Q105 HydrophobicContact CG-CB 4.18Å; M101-Q105 HydrophobicContact SD-CB 3.73Å; M101-Q106 HydrophobicContact CG-CG 3.61Å; M101-L176 HydrophobicContact CB-CD1 4.33Å; M101-L176 HydrophobicContact CE-CD1 4.34Å; M101-L176 HydrophobicContact CG-CD1 4.11Å | ||
| 102 | N | 93.1 | Very high | 92.8 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | trans | -89 | 168.5 | 177.2 | 70.4 | 43.7 | 0 | 0 | 0 | 112.7 | A100 G104 Q105 Q106 | A100-N102 PolarHBondContact O-N 3.36Å; N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.5Å; N102-G104 WeakPolarHBondContact OD1-CA 3.49Å; N102-G104 PolarHBondContact OD1-N 2.99Å; N102-Q105 VanDerWaalsContact N-OE1 3.08Å; N102-Q105 PolarHBondContact ND2-OE1 3.31Å; N102-Q105 PolarHBondContact O-N 3.41Å; N102-Q105 WeakPolarHBondContact OD1-CG 3.34Å; N102-Q105 PolarHBondContact OD1-N 3.18Å; N102-Q106 WeakPolarHBondContact O-CG 3.46Å; N102-Q106 PolarHBondContact O-N 2.91Å; N102-Q106 VanDerWaalsContact O-N 3.1Å | ||
| 103 | R | 89.4 | Confident | 92.4 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | -178.6 | -169 | 171.4 | 178.8 | 103.4 | -3.5 | 112.8 | Q106 V107 D166 N170 | R103-Q106 PolarHBondContact O-N 3.35Å; R103-V107 VanDerWaalsContact O-CG2 3.25Å; R103-V107 WeakPolarHBondContact O-CG2 3.49Å; R103-V107 PolarHBondContact O-N 3.25Å; R103-D166 IonicContact NH2-OD1 3.27Å; R103-D166 PolarHBondContact NH2-OD1 3.23Å; R103-N170 PolarHBondContact NH1-OD1 3.43Å |
| 104 | G | 90.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N102 V107 V108 | N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.5Å; N102-G104 WeakPolarHBondContact OD1-CA 3.49Å; N102-G104 PolarHBondContact OD1-N 2.99Å; G104-V107 PolarHBondContact O-N 2.84Å; G104-V108 WeakPolarHBondContact O-CG2 3.47Å; G104-V108 PolarHBondContact O-N 3.44Å; G104-V108 VanDerWaalsContact O-N 3.11Å |
| 105 | Q | 91.3 | Very high | 91.4 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.7 | -68.2 | 170.5 | -59.9 | 0 | 0 | 111.7 | M101 N102 V107 V108 L109 | M101-Q105 HydrophobicContact CG-CB 4.18Å; M101-Q105 HydrophobicContact SD-CB 3.73Å; N102-Q105 VanDerWaalsContact N-OE1 3.08Å; N102-Q105 PolarHBondContact ND2-OE1 3.31Å; N102-Q105 PolarHBondContact O-N 3.41Å; N102-Q105 WeakPolarHBondContact OD1-CG 3.34Å; N102-Q105 PolarHBondContact OD1-N 3.18Å; Q105-V107 VanDerWaalsContact C-N 3.35Å; Q105-V107 PolarHBondContact O-N 3.15Å; Q105-V108 PolarHBondContact O-N 3.43Å; Q105-L109 PolarHBondContact O-N 3.21Å |
| 106 | Q | 90.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.9 | -66 | 173.5 | 12 | 0 | 0 | 111.8 | M101 N102 R103 V108 L109 L110 L169 L176 | M101-Q106 HydrophobicContact CG-CG 3.61Å; N102-Q106 WeakPolarHBondContact O-CG 3.46Å; N102-Q106 PolarHBondContact O-N 2.91Å; N102-Q106 VanDerWaalsContact O-N 3.1Å; R103-Q106 PolarHBondContact O-N 3.35Å; Q106-V108 PolarHBondContact O-N 3.18Å; Q106-L109 PolarHBondContact O-N 3.44Å; Q106-L110 WeakPolarHBondContact O-CB 3.37Å; Q106-L110 PolarHBondContact O-N 3.44Å; Q106-L169 HydrophobicContact CB-CD2 3.47Å; Q106-L169 VanDerWaalsContact CB-CD2 3.47Å; Q106-L176 HydrophobicContact CG-CD1 4.02Å |
| 107 | V | 91 | Very high | 90.4 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.4 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | R103 G104 Q105 L110 N111 L135 L169 | R103-V107 VanDerWaalsContact O-CG2 3.25Å; R103-V107 WeakPolarHBondContact O-CG2 3.49Å; R103-V107 PolarHBondContact O-N 3.25Å; G104-V107 PolarHBondContact O-N 2.84Å; Q105-V107 VanDerWaalsContact C-N 3.35Å; Q105-V107 PolarHBondContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 2.61Å; V107-N111 WeakPolarHBondContact O-CB 3.4Å; V107-N111 PolarHBondContact O-N 2.86Å; V107-L135 HydrophobicContact CG1-CD1 3.74Å; V107-L135 HydrophobicContact CG2-CD1 4.25Å; V107-L169 HydrophobicContact CG2-CD1 3.54Å; V107-L169 HydrophobicContact CG2-CD2 4.09Å; V107-L169 HydrophobicContact CG2-CG 4.49Å |
| 108 | V | 90.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | G104 Q105 Q106 L110 N111 S112 | G104-V108 WeakPolarHBondContact O-CG2 3.47Å; G104-V108 PolarHBondContact O-N 3.44Å; G104-V108 VanDerWaalsContact O-N 3.11Å; Q105-V108 PolarHBondContact O-N 3.43Å; Q106-V108 PolarHBondContact O-N 3.18Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.48Å; V108-N111 PolarHBondContact O-N 3.34Å; V108-S112 PolarHBondContact O-N 3.31Å |
| 109 | L | 89.5 | Confident | 89.5 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.3 | -177.2 | 65.8 | 0 | 0 | 0 | 111.6 | Q105 Q106 S112 T113 | Q105-L109 PolarHBondContact O-N 3.21Å; Q106-L109 PolarHBondContact O-N 3.44Å; L109-S112 PolarHBondContact O-N 2.86Å; L109-T113 WeakPolarHBondContact O-CB 3.36Å; L109-T113 PolarHBondContact O-N 3.48Å; L109-T113 PolarHBondContact O-OG1 3.05Å |
| 110 | L | 89.9 | Confident | 89.1 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 12% | 0.115 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | -179.6 | -171.5 | 65.6 | 0 | 0 | 0 | 111.6 | Q106 V107 V108 T113 W114 L134 M168 L169 | Q106-L110 WeakPolarHBondContact O-CB 3.37Å; Q106-L110 PolarHBondContact O-N 3.44Å; V107-L110 PolarHBondContact O-N 2.61Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.48Å; L110-T113 PolarHBondContact O-N 3.32Å; L110-W114 WeakPolarHBondContact O-CB 3.38Å; L110-W114 PolarHBondContact O-N 2.88Å; L110-L134 HydrophobicContact CD1-CD1 4.38Å; L110-L134 HydrophobicContact CD2-CD1 3.76Å; L110-L134 HydrophobicContact CG-CD1 3.67Å; L110-M168 HydrophobicContact CD1-CE 3.54Å; L110-M168 HydrophobicContact CD1-SD 4.04Å; L110-M168 HydrophobicContact CD2-CB 4.14Å; L110-L169 HydrophobicContact CD2-CD2 4.13Å; L110-L169 HydrophobicContact CD2-CG 3.94Å |
| 111 | N | 89.1 | Confident | 88.6 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.1 | -169 | 47.1 | 0 | 0 | 0 | 112.3 | V107 V108 T113 G115 L134 | V107-N111 WeakPolarHBondContact O-CB 3.4Å; V107-N111 PolarHBondContact O-N 2.86Å; V108-N111 PolarHBondContact O-N 3.34Å; N111-T113 VanDerWaalsContact C-N 3.35Å; N111-G115 PolarHBondContact O-N 2.94Å; N111-G115 VanDerWaalsContact O-N 3.15Å; N111-L134 HydrophobicContact CB-CD2 4.17Å |
| 112 | S | 88.4 | Confident | 88.3 | Confident | 68 Ų | 68 | 76.1 Ų | 76.1 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.1 | -180 | 0 | 0 | 0 | 0 | 111.6 | V108 L109 G115 M116 | V108-S112 PolarHBondContact O-N 3.31Å; L109-S112 PolarHBondContact O-N 2.86Å; S112-G115 PolarHBondContact O-N 2.85Å; S112-M116 WeakPolarHBondContact O-CG 3.44Å; S112-M116 PolarHBondContact O-N 3Å |
| 113 | T | 88 | Confident | 87.9 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | L109 L110 N111 G115 M116 L117 | L109-T113 WeakPolarHBondContact O-CB 3.36Å; L109-T113 PolarHBondContact O-N 3.48Å; L109-T113 PolarHBondContact O-OG1 3.05Å; L110-T113 PolarHBondContact O-N 3.32Å; N111-T113 VanDerWaalsContact C-N 3.35Å; T113-G115 VanDerWaalsContact C-N 3.27Å; T113-G115 PolarHBondContact O-N 3.17Å; T113-M116 PolarHBondContact O-N 3.44Å; T113-L117 WeakPolarHBondContact O-CG 3.34Å; T113-L117 PolarHBondContact O-N 3.36Å |
| 114 | W | 87.4 | Confident | 87.8 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 3% | 0.034 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 178.4 | -166.1 | -101.1 | 0 | 0 | 0 | 112.6 | L110 M116 L117 K122 L125 E126 L134 D147 C164 | L110-W114 WeakPolarHBondContact O-CB 3.38Å; L110-W114 PolarHBondContact O-N 2.88Å; W114-M116 VanDerWaalsContact C-N 3.27Å; W114-M116 PolarHBondContact O-N 2.9Å; W114-L117 HydrophobicContact CE3-CD1 4.06Å; W114-L117 PolarHBondContact O-N 3.03Å; W114-K122 HydrophobicContact CD2-CG 4.47Å; W114-K122 HydrophobicContact CH2-CB 4.25Å; W114-K122 HydrophobicContact CH2-CG 4.3Å; W114-K122 HydrophobicContact CZ2-CB 4.11Å; W114-K122 HydrophobicContact CZ2-CD 4.17Å; W114-K122 HydrophobicContact CZ2-CG 4.01Å; W114-K122 WeakPolarHBondContact O-CE 3.45Å; W114-K122 PolarHBondContact O-NZ 3.48Å; W114-L125 HydrophobicContact CZ3-CD1 4.31Å; W114-E126 HydrophobicContact CH2-CG 4.32Å; W114-L134 HydrophobicContact CB-CD1 4.01Å; W114-L134 HydrophobicContact CB-CD2 3.65Å; W114-L134 HydrophobicContact CB-CG 4.25Å; W114-L134 HydrophobicContact CD2-CB 3.9Å; W114-L134 HydrophobicContact CD2-CD1 3.79Å; W114-L134 HydrophobicContact CD2-CG 4.25Å; W114-L134 HydrophobicContact CE3-CD1 3.78Å; W114-L134 HydrophobicContact CG-CB 3.85Å; W114-L134 HydrophobicContact CG-CD1 3.9Å; W114-L134 HydrophobicContact CG-CD2 3.84Å; W114-L134 HydrophobicContact CG-CG 4.04Å; W114-L134 HydrophobicContact CZ3-CD1 4.5Å; W114-D147 PolarHBondContact NE1-OD2 2.78Å; W114-C164 HydrophobicContact CH2-CB 4.44Å |
| 115 | G | 84.5 | Confident | 87.7 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.6 | -28 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | N111 S112 T113 | N111-G115 PolarHBondContact O-N 2.94Å; N111-G115 VanDerWaalsContact O-N 3.15Å; S112-G115 PolarHBondContact O-N 2.85Å; T113-G115 VanDerWaalsContact C-N 3.27Å; T113-G115 PolarHBondContact O-N 3.17Å |
| 116 | M | 86.6 | Confident | 87.6 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 66% | 0.655 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -86.9 | -13.7 | 177.4 | -65.1 | -174 | -66.4 | 0 | 0 | 113.6 | S112 T113 W114 | S112-M116 WeakPolarHBondContact O-CG 3.44Å; S112-M116 PolarHBondContact O-N 3Å; T113-M116 PolarHBondContact O-N 3.44Å; W114-M116 VanDerWaalsContact C-N 3.27Å; W114-M116 PolarHBondContact O-N 2.9Å |
| 117 | L | 84.7 | Confident | 87.5 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -76.5 | 136.8 | -179.2 | -69.4 | 176 | 0 | 0 | 0 | 111.5 | T113 W114 T121 K122 L125 | T113-L117 WeakPolarHBondContact O-CG 3.34Å; T113-L117 PolarHBondContact O-N 3.36Å; W114-L117 HydrophobicContact CE3-CD1 4.06Å; W114-L117 PolarHBondContact O-N 3.03Å; L117-T121 HydrophobicContact CD2-CG2 4.01Å; L117-K122 HydrophobicContact CB-CG 3.97Å; L117-K122 VanDerWaalsContact O-CE 3.28Å; L117-K122 WeakPolarHBondContact O-CE 3.5Å; L117-L125 HydrophobicContact CD1-CD1 3.8Å |
| 118 | N | 86.3 | Confident | 87.4 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | trans | -69 | 150.5 | 171.6 | -65.4 | -9 | 0 | 0 | 0 | 110.8 | K120 T121 K122 | N118-K120 PolarHBondContact O-N 3.28Å; N118-K120 VanDerWaalsContact O-N 3.15Å; N118-T121 WeakPolarHBondContact O-CB 3.49Å; N118-T121 PolarHBondContact O-N 3.29Å; N118-K122 PolarHBondContact O-N 3Å; N118-K122 VanDerWaalsContact O-N 3.08Å | ||
| 119 | N | 85.6 | Confident | 87.2 | Confident | 122 Ų | 122 | 75 Ų | 75 | 65% | 0.652 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.7 | -37.1 | -178.5 | -68.4 | -11.1 | 0 | 0 | 0 | 113.5 | T121 K122 V123 | N119-T121 VanDerWaalsContact C-N 3.34Å; N119-T121 PolarHBondContact O-N 3.43Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-V123 WeakPolarHBondContact O-CG2 3.28Å; N119-V123 PolarHBondContact O-N 3.32Å |
| 120 | K | 85.4 | Confident | 87.3 | Confident | 178 Ų | 178 | 72.9 Ų | 72.9 | 77% | 0.774 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.2 | -41.2 | 175.3 | -67.9 | -175.2 | 177.9 | -177.4 | 0 | 112.7 | N118 N124 | N118-K120 PolarHBondContact O-N 3.28Å; N118-K120 VanDerWaalsContact O-N 3.15Å; K120-N124 WeakPolarHBondContact O-CB 3.39Å; K120-N124 PolarHBondContact O-N 2.91Å |
| 121 | T | 85.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.5 | -37 | 179.3 | -47.2 | 0 | 0 | 0 | 0 | 111 | L117 N118 N119 L125 | L117-T121 HydrophobicContact CD2-CG2 4.01Å; N118-T121 WeakPolarHBondContact O-CB 3.49Å; N118-T121 PolarHBondContact O-N 3.29Å; N119-T121 VanDerWaalsContact C-N 3.34Å; N119-T121 PolarHBondContact O-N 3.43Å; T121-L125 HydrophobicContact CG2-CD1 4.34Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 WeakPolarHBondContact O-CG 3.41Å; T121-L125 PolarHBondContact O-N 3.18Å |
| 122 | K | 86.8 | Confident | 87.5 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -51 | 173.6 | -66.7 | 178.3 | 177.5 | 173.8 | 0 | 111.3 | W114 L117 N118 N119 N124 L125 E126 | W114-K122 HydrophobicContact CD2-CG 4.47Å; W114-K122 HydrophobicContact CH2-CB 4.25Å; W114-K122 HydrophobicContact CH2-CG 4.3Å; W114-K122 HydrophobicContact CZ2-CB 4.11Å; W114-K122 HydrophobicContact CZ2-CD 4.17Å; W114-K122 HydrophobicContact CZ2-CG 4.01Å; W114-K122 WeakPolarHBondContact O-CE 3.45Å; W114-K122 PolarHBondContact O-NZ 3.48Å; L117-K122 HydrophobicContact CB-CG 3.97Å; L117-K122 VanDerWaalsContact O-CE 3.28Å; L117-K122 WeakPolarHBondContact O-CE 3.5Å; N118-K122 PolarHBondContact O-N 3Å; N118-K122 VanDerWaalsContact O-N 3.08Å; N119-K122 PolarHBondContact O-N 2.93Å; K122-N124 VanDerWaalsContact C-N 3.35Å; K122-N124 PolarHBondContact O-N 3.45Å; K122-L125 WeakPolarHBondContact O-CB 3.24Å; K122-L125 PolarHBondContact O-N 2.95Å; K122-L125 VanDerWaalsContact O-N 3.1Å; K122-E126 WeakPolarHBondContact O-CG 3.36Å; K122-E126 PolarHBondContact O-N 3.01Å |
| 123 | V | 86.1 | Confident | 87.5 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | N119 L125 E126 D127 | N119-V123 WeakPolarHBondContact O-CG2 3.28Å; N119-V123 PolarHBondContact O-N 3.32Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.4Å; V123-E126 PolarHBondContact O-N 3.25Å; V123-D127 WeakPolarHBondContact O-CB 3.27Å; V123-D127 PolarHBondContact O-N 2.88Å |
| 124 | N | 86.7 | Confident | 87.6 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.5 | -76.8 | -3.5 | 0 | 0 | 0 | 112.6 | K120 K122 Q128 | K120-N124 WeakPolarHBondContact O-CB 3.39Å; K120-N124 PolarHBondContact O-N 2.91Å; K122-N124 VanDerWaalsContact C-N 3.35Å; K122-N124 PolarHBondContact O-N 3.45Å; N124-Q128 WeakPolarHBondContact O-CB 3.37Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.22Å; N124-Q128 PolarHBondContact O-N 3.48Å |
| 125 | L | 88.1 | Confident | 87.6 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 175.9 | -79.7 | 166.3 | 0 | 0 | 0 | 111.5 | W114 L117 T121 K122 V123 D127 Q128 L129 | W114-L125 HydrophobicContact CZ3-CD1 4.31Å; L117-L125 HydrophobicContact CD1-CD1 3.8Å; T121-L125 HydrophobicContact CG2-CD1 4.34Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 WeakPolarHBondContact O-CG 3.41Å; T121-L125 PolarHBondContact O-N 3.18Å; K122-L125 WeakPolarHBondContact O-CB 3.24Å; K122-L125 PolarHBondContact O-N 2.95Å; K122-L125 VanDerWaalsContact O-N 3.1Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.4Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.41Å; L125-Q128 PolarHBondContact O-N 2.85Å; L125-L129 HydrophobicContact CD2-CD1 4.36Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 WeakPolarHBondContact O-CG 3.13Å; L125-L129 PolarHBondContact O-N 2.89Å |
| 126 | E | 89.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 176.8 | -74.1 | 178.7 | 151.8 | 0 | 0 | 111.7 | W114 K122 V123 D130 C131 G133 A153 | W114-E126 HydrophobicContact CH2-CG 4.32Å; K122-E126 WeakPolarHBondContact O-CG 3.36Å; K122-E126 PolarHBondContact O-N 3.01Å; V123-E126 PolarHBondContact O-N 3.25Å; E126-D130 WeakPolarHBondContact O-CA 3.44Å; E126-D130 PolarHBondContact O-N 3.27Å; E126-C131 VanDerWaalsContact CA-O 3.31Å; E126-C131 WeakPolarHBondContact CA-O 3.38Å; E126-C131 WeakPolarHBondContact CB-O 3.34Å; E126-C131 WeakPolarHBondContact CG-O 3.41Å; E126-C131 PolarHBondContact O-N 2.87Å; E126-G133 PolarHBondContact OE1-N 2.95Å; E126-A153 WeakPolarHBondContact O-CB 3.43Å |
| 127 | D | 88.6 | Confident | 87.1 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 177.1 | -169.4 | 58.2 | 0 | 0 | 0 | 112.3 | V123 L125 L129 D130 | V123-D127 WeakPolarHBondContact O-CB 3.27Å; V123-D127 PolarHBondContact O-N 2.88Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.41Å; D127-L129 PolarHBondContact O-N 3.25Å; D127-D130 PolarHBondContact O-N 3.43Å |
| 128 | Q | 87.6 | Confident | 86.5 | Confident | 151 Ų | 151 | 64 Ų | 64 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.1 | -34.9 | -178.9 | -76 | -172.7 | -9.1 | 0 | 0 | 113.9 | N124 L125 | N124-Q128 WeakPolarHBondContact O-CB 3.37Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.22Å; N124-Q128 PolarHBondContact O-N 3.48Å; L125-Q128 PolarHBondContact O-N 2.85Å |
| 129 | L | 87.8 | Confident | 85.7 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -94.8 | -3.1 | -178.8 | -66.2 | 173.8 | 0 | 0 | 0 | 112.6 | L125 D127 C131 K167 M168 | L125-L129 HydrophobicContact CD2-CD1 4.36Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 WeakPolarHBondContact O-CG 3.13Å; L125-L129 PolarHBondContact O-N 2.89Å; D127-L129 PolarHBondContact O-N 3.25Å; L129-C131 WeakPolarHBondContact CB-SG 3.38Å; L129-K167 WeakPolarHBondContact O-CD 3.37Å; L129-K167 PolarHBondContact O-NZ 2.87Å; L129-M168 HydrophobicContact CD1-CG 3.92Å; L129-M168 HydrophobicContact CD1-SD 4.39Å |
| 130 | D | 90.8 | Very high | 85 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 59.5 | -177.5 | -169.3 | 41.6 | 0 | 0 | 0 | 111.8 | E126 D127 P154 C155 K167 | E126-D130 WeakPolarHBondContact O-CA 3.44Å; E126-D130 PolarHBondContact O-N 3.27Å; D127-D130 PolarHBondContact O-N 3.43Å; D130-P154 WeakPolarHBondContact OD1-CD 3.5Å; D130-C155 VanDerWaalsContact OD1-CB 3.24Å; D130-C155 WeakPolarHBondContact OD1-CB 3.36Å; D130-C155 PolarHBondContact OD1-N 3.5Å; D130-K167 PolarHBondContact O-NZ 3.37Å |
| 131 | C | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -150.1 | 163.8 | -174.7 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | E126 L129 C151 C161 P162 C164 K167 | E126-C131 VanDerWaalsContact CA-O 3.31Å; E126-C131 WeakPolarHBondContact CA-O 3.38Å; E126-C131 WeakPolarHBondContact CB-O 3.34Å; E126-C131 WeakPolarHBondContact CG-O 3.41Å; E126-C131 PolarHBondContact O-N 2.87Å; L129-C131 WeakPolarHBondContact CB-SG 3.38Å; C131-C151 PolarHBondContact O-SG 3.09Å; C131-C161 VanDerWaalsContact C-SG 3.5Å; C131-C161 WeakPolarHBondContact CA-SG 3.29Å; C131-P162 WeakPolarHBondContact CA-O 3.24Å; C131-P162 WeakPolarHBondContact CB-O 3.42Å; C131-C164 HydrophobicContact CB-CB 3.93Å; C131-C164 WeakPolarHBondContact CB-SG 3.47Å; C131-C164 PolarHBondContact O-SG 2.91Å; C131-C164 VanDerWaalsContact O-SG 3.41Å; C131-C164 WeakPolarHBondContact SG-CA 3.24Å; C131-C164 WeakPolarHBondContact SG-CB 3.45Å; C131-C164 CovalentContact SG-SG 2.03Å; C131-C164 PolarHBondContact SG-SG 3.38Å; C131-K167 HydrophobicContact CB-CD 4.1Å | ||
| 132 | C | 91.1 | Very high | 84.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | trans | -135.6 | 133.5 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | V148 C151 C161 P162 | C132-V148 HydrophobicContact CB-CG2 4.01Å; C132-C151 HydrophobicContact CB-CB 3.63Å; C132-C151 WeakPolarHBondContact CB-SG 3.28Å; C132-C151 WeakPolarHBondContact SG-CB 3.31Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 3.17Å; C132-C161 PolarHBondContact N-SG 3.38Å; C132-C161 VanDerWaalsContact N-SG 3.43Å; C132-P162 PolarHBondContact N-O 2.91Å; C132-P162 VanDerWaalsContact N-O 3.11Å | ||
| 133 | G | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 67.6 | 158.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E126 C164 | E126-G133 PolarHBondContact OE1-N 2.95Å; G133-C164 WeakPolarHBondContact O-CB 3.42Å; G133-C164 PolarHBondContact O-N 3.48Å |
| 134 | L | 89.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.9 | -78.2 | -175.3 | -174.8 | 70.5 | 0 | 0 | 0 | 113.2 | L110 N111 W114 S163 G165 | L110-L134 HydrophobicContact CD1-CD1 4.38Å; L110-L134 HydrophobicContact CD2-CD1 3.76Å; L110-L134 HydrophobicContact CG-CD1 3.67Å; N111-L134 HydrophobicContact CB-CD2 4.17Å; W114-L134 HydrophobicContact CB-CD1 4.01Å; W114-L134 HydrophobicContact CB-CD2 3.65Å; W114-L134 HydrophobicContact CB-CG 4.25Å; W114-L134 HydrophobicContact CD2-CB 3.9Å; W114-L134 HydrophobicContact CD2-CD1 3.79Å; W114-L134 HydrophobicContact CD2-CG 4.25Å; W114-L134 HydrophobicContact CE3-CD1 3.78Å; W114-L134 HydrophobicContact CG-CB 3.85Å; W114-L134 HydrophobicContact CG-CD1 3.9Å; W114-L134 HydrophobicContact CG-CD2 3.84Å; W114-L134 HydrophobicContact CG-CG 4.04Å; W114-L134 HydrophobicContact CZ3-CD1 4.5Å; L134-S163 WeakPolarHBondContact O-CB 3.24Å; L134-S163 PolarHBondContact O-OG 3.2Å; L134-G165 WeakPolarHBondContact O-CA 3.44Å; L134-G165 PolarHBondContact O-N 3.36Å |
| 135 | L | 88.2 | Confident | 84 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | trans | -138.7 | 135.3 | -178.7 | -73.2 | 169.8 | 0 | 0 | 0 | 109 | V107 V137 S140 L169 | V107-L135 HydrophobicContact CG1-CD1 3.74Å; V107-L135 HydrophobicContact CG2-CD1 4.25Å; L135-V137 VanDerWaalsContact C-N 3.26Å; L135-V137 HydrophobicContact CB-CG1 4.4Å; L135-V137 HydrophobicContact CB-CG2 4.35Å; L135-V137 PolarHBondContact O-N 3.41Å; L135-S140 PolarHBondContact O-OG 3.21Å; L135-S140 VanDerWaalsContact O-OG 3.14Å; L135-L169 HydrophobicContact CD1-CD1 4.38Å; L135-L169 HydrophobicContact CD2-CD1 4.18Å | ||
| 136 | N | 81.1 | Confident | 83.8 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | trans | -84.2 | 69.7 | 176.8 | -168.5 | -3.7 | 0 | 0 | 0 | 110.7 | R141 F144 | N136-R141 PolarHBondContact ND2-NH1 3.13Å; N136-R141 WeakPolarHBondContact OD1-CD 3.43Å; N136-R141 PolarHBondContact OD1-NH1 3.49Å; N136-F144 HydrophobicContact CB-CD1 4.09Å; N136-F144 HydrophobicContact CB-CD2 4.38Å; N136-F144 HydrophobicContact CB-CE1 3.8Å; N136-F144 HydrophobicContact CB-CE2 4.12Å; N136-F144 HydrophobicContact CB-CG 4.37Å; N136-F144 HydrophobicContact CB-CZ 3.82Å | ||
| 137 | V | 78.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | trans | -115.6 | 149.1 | 177 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | L135 K139 S140 R141 | L135-V137 VanDerWaalsContact C-N 3.26Å; L135-V137 HydrophobicContact CB-CG1 4.4Å; L135-V137 HydrophobicContact CB-CG2 4.35Å; L135-V137 PolarHBondContact O-N 3.41Å; V137-K139 PolarHBondContact O-N 3.44Å; V137-S140 WeakPolarHBondContact CG2-OG 3.28Å; V137-S140 CarbonylContact O-C 3.56Å; V137-S140 PolarHBondContact O-N 3.42Å; V137-S140 PolarHBondContact O-OG 3.23Å; V137-R141 PolarHBondContact O-N 2.87Å; V137-R141 VanDerWaalsContact O-N 3.16Å | ||
| 138 | S | 71.6 | Confident | 83.4 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 85% | 0.846 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -55.3 | -30.4 | -171.5 | -40.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 139 | K | 70.4 | Confident | 83.3 | Confident | 211 Ų | 211 | 67.2 Ų | 67.2 | 92% | 0.917 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -74.2 | -24.8 | 179 | -76.2 | -170.4 | 176 | -176.1 | 0 | 114.4 | V137 | V137-K139 PolarHBondContact O-N 3.44Š|
| 140 | S | 71.1 | Confident | 83.1 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -118.6 | 19.9 | -178.2 | 58.8 | 0 | 0 | 0 | 0 | 112 | L135 V137 S142 Q143 F144 | L135-S140 PolarHBondContact O-OG 3.21Å; L135-S140 VanDerWaalsContact O-OG 3.14Å; V137-S140 WeakPolarHBondContact CG2-OG 3.28Å; V137-S140 CarbonylContact O-C 3.56Å; V137-S140 PolarHBondContact O-N 3.42Å; V137-S140 PolarHBondContact O-OG 3.23Å; S140-S142 PolarHBondContact O-N 2.89Å; S140-Q143 PolarHBondContact O-N 3.48Å; S140-F144 VanDerWaalsContact O-CB 3.28Å; S140-F144 WeakPolarHBondContact O-CB 3.47Å; S140-F144 PolarHBondContact O-N 2.86Å |
| 141 | R | 79.6 | Confident | 83 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | -172 | -172.6 | 72.2 | -175.1 | -154.1 | -6 | 112.7 | N136 V137 F144 E145 | N136-R141 PolarHBondContact ND2-NH1 3.13Å; N136-R141 WeakPolarHBondContact OD1-CD 3.43Å; N136-R141 PolarHBondContact OD1-NH1 3.49Å; V137-R141 PolarHBondContact O-N 2.87Å; V137-R141 VanDerWaalsContact O-N 3.16Å; R141-F144 PolarHBondContact O-N 3.2Å; R141-E145 WeakPolarHBondContact CG-OE1 3.28Å; R141-E145 IonicContact CZ-OE1 3.72Å; R141-E145 IonicContact NE-OE1 2.87Å; R141-E145 PolarHBondContact NE-OE1 3.25Å; R141-E145 IonicContact NH2-OE1 3.69Å; R141-E145 WeakPolarHBondContact O-CB 3.25Å; R141-E145 WeakPolarHBondContact O-CG 3.39Å; R141-E145 PolarHBondContact O-N 3.45Å |
| 142 | S | 80.5 | Confident | 82.8 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 178.1 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | S140 E145 E146 | S140-S142 PolarHBondContact O-N 2.89Å; S142-E145 PolarHBondContact O-N 3.05Å; S142-E146 PolarHBondContact O-N 3.25Å |
| 143 | Q | 80.1 | Confident | 82.7 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176 | -168.4 | 71.5 | 54.7 | 0 | 0 | 111.3 | S140 E146 D147 | S140-Q143 PolarHBondContact O-N 3.48Å; Q143-E146 PolarHBondContact O-N 3.47Å; Q143-D147 PolarHBondContact NE2-OD1 2.89Å; Q143-D147 WeakPolarHBondContact O-CB 3.19Å; Q143-D147 PolarHBondContact O-N 3.42Å |
| 144 | F | 84.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 177 | 177.4 | -97.2 | 0 | 0 | 0 | 111.5 | N136 S140 R141 E146 D147 V148 | N136-F144 HydrophobicContact CB-CD1 4.09Å; N136-F144 HydrophobicContact CB-CD2 4.38Å; N136-F144 HydrophobicContact CB-CE1 3.8Å; N136-F144 HydrophobicContact CB-CE2 4.12Å; N136-F144 HydrophobicContact CB-CG 4.37Å; N136-F144 HydrophobicContact CB-CZ 3.82Å; S140-F144 VanDerWaalsContact O-CB 3.28Å; S140-F144 WeakPolarHBondContact O-CB 3.47Å; S140-F144 PolarHBondContact O-N 2.86Å; R141-F144 PolarHBondContact O-N 3.2Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.07Å; F144-D147 PolarHBondContact O-N 3.27Å; F144-V148 HydrophobicContact CD1-CG2 4.18Å; F144-V148 HydrophobicContact CD2-CG2 4.29Å; F144-V148 HydrophobicContact CE1-CG2 3.78Å; F144-V148 HydrophobicContact CE2-CG2 3.9Å; F144-V148 HydrophobicContact CG-CG2 4.42Å; F144-V148 HydrophobicContact CZ-CG2 3.62Å; F144-V148 WeakPolarHBondContact O-CB 3.47Å; F144-V148 WeakPolarHBondContact O-CG2 3.42Å; F144-V148 PolarHBondContact O-N 3.02Å |
| 145 | E | 84.5 | Confident | 82.5 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 177.3 | -74.4 | 169.4 | -173.6 | 0 | 0 | 112.1 | R141 S142 K149 | R141-E145 WeakPolarHBondContact CG-OE1 3.28Å; R141-E145 IonicContact CZ-OE1 3.72Å; R141-E145 IonicContact NE-OE1 2.87Å; R141-E145 PolarHBondContact NE-OE1 3.25Å; R141-E145 IonicContact NH2-OE1 3.69Å; R141-E145 WeakPolarHBondContact O-CB 3.25Å; R141-E145 WeakPolarHBondContact O-CG 3.39Å; R141-E145 PolarHBondContact O-N 3.45Å; S142-E145 PolarHBondContact O-N 3.05Å; E145-K149 WeakPolarHBondContact O-CB 3.4Å; E145-K149 PolarHBondContact O-N 2.96Å |
| 146 | E | 83.8 | Confident | 82.4 | Confident | 108 Ų | 108 | 79.4 Ų | 79.4 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.9 | -47.7 | 174.2 | -173.5 | 177.3 | -174.8 | 0 | 0 | 112.4 | S142 Q143 F144 V148 K149 N150 | S142-E146 PolarHBondContact O-N 3.25Å; Q143-E146 PolarHBondContact O-N 3.47Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.07Å; E146-V148 PolarHBondContact O-N 3.32Å; E146-K149 WeakPolarHBondContact O-CB 3.35Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-N150 PolarHBondContact O-N 2.9Å; E146-N150 PolarHBondContact O-ND2 2.87Å |
| 147 | D | 83.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 80.3 Ų | 80.3 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 177.3 | -71 | -4.9 | 0 | 0 | 0 | 109.8 | W114 Q143 F144 K149 N150 C151 | W114-D147 PolarHBondContact NE1-OD2 2.78Å; Q143-D147 PolarHBondContact NE2-OD1 2.89Å; Q143-D147 WeakPolarHBondContact O-CB 3.19Å; Q143-D147 PolarHBondContact O-N 3.42Å; F144-D147 PolarHBondContact O-N 3.27Å; D147-K149 VanDerWaalsContact C-N 3.33Å; D147-K149 PolarHBondContact O-N 2.94Å; D147-N150 CarbonylContact O-C 3.57Å; D147-N150 PolarHBondContact O-N 3.42Å; D147-C151 WeakPolarHBondContact O-CB 3.31Å; D147-C151 PolarHBondContact O-N 3.41Å |
| 148 | V | 85.4 | Confident | 82.5 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 112 | C132 F144 E146 C151 K156 | C132-V148 HydrophobicContact CB-CG2 4.01Å; F144-V148 HydrophobicContact CD1-CG2 4.18Å; F144-V148 HydrophobicContact CD2-CG2 4.29Å; F144-V148 HydrophobicContact CE1-CG2 3.78Å; F144-V148 HydrophobicContact CE2-CG2 3.9Å; F144-V148 HydrophobicContact CG-CG2 4.42Å; F144-V148 HydrophobicContact CZ-CG2 3.62Å; F144-V148 WeakPolarHBondContact O-CB 3.47Å; F144-V148 WeakPolarHBondContact O-CG2 3.42Å; F144-V148 PolarHBondContact O-N 3.02Å; E146-V148 PolarHBondContact O-N 3.32Å; V148-C151 WeakPolarHBondContact O-CB 3.32Å; V148-C151 PolarHBondContact O-N 3.27Å; V148-K156 WeakPolarHBondContact O-CE 3.4Å; V148-K156 PolarHBondContact O-NZ 3.09Å |
| 149 | K | 85.5 | Confident | 82.7 | Confident | 167 Ų | 167 | 82 Ų | 82 | 73% | 0.726 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 177.2 | -172.1 | 179.9 | 179.3 | -176.1 | 0 | 111.8 | E145 E146 D147 K156 | E145-K149 WeakPolarHBondContact O-CB 3.4Å; E145-K149 PolarHBondContact O-N 2.96Å; E146-K149 WeakPolarHBondContact O-CB 3.35Å; E146-K149 PolarHBondContact O-N 3.49Å; D147-K149 VanDerWaalsContact C-N 3.33Å; D147-K149 PolarHBondContact O-N 2.94Å; K149-K156 PolarHBondContact O-NZ 2.82Å |
| 150 | N | 85.4 | Confident | 83.2 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -86.5 | -7.2 | -179.1 | -65.3 | -34.8 | 0 | 0 | 0 | 114 | E146 D147 H152 | E146-N150 PolarHBondContact O-N 2.9Å; E146-N150 PolarHBondContact O-ND2 2.87Å; D147-N150 CarbonylContact O-C 3.57Å; D147-N150 PolarHBondContact O-N 3.42Å; N150-H152 PolarHBondContact O-CE1 3.35Å; N150-H152 PolarHBondContact O-ND1 2.91Å |
| 151 | C | 87.9 | Confident | 84 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | trans | -65.7 | 135.8 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | C131 C132 D147 V148 K156 | C131-C151 PolarHBondContact O-SG 3.09Å; C132-C151 HydrophobicContact CB-CB 3.63Å; C132-C151 WeakPolarHBondContact CB-SG 3.28Å; C132-C151 WeakPolarHBondContact SG-CB 3.31Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 3.17Å; D147-C151 WeakPolarHBondContact O-CB 3.31Å; D147-C151 PolarHBondContact O-N 3.41Å; V148-C151 WeakPolarHBondContact O-CB 3.32Å; V148-C151 PolarHBondContact O-N 3.27Å; C151-K156 HydrophobicContact CB-CD 4.45Å; C151-K156 VanDerWaalsContact O-CD 3.22Å; C151-K156 WeakPolarHBondContact O-CD 3.45Å; C151-K156 PolarHBondContact O-NZ 3.28Å | ||
| 152 | H | 87.4 | Confident | 84.5 | Confident | 150 Ų | 150 | 77.2 Ų | 77.2 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | trans | -116.1 | 12.1 | 178 | -61.2 | 101 | 0 | 0 | 0 | 112.8 | N150 | N150-H152 PolarHBondContact O-CE1 3.35Å; N150-H152 PolarHBondContact O-ND1 2.91Å | ||
| 153 | A | 87.9 | Confident | 85 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | trans | -63.2 | 147.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E126 C155 K156 | E126-A153 WeakPolarHBondContact O-CB 3.43Å; A153-C155 VanDerWaalsContact C-N 3.3Å; A153-C155 PolarHBondContact O-N 3.36Å; A153-K156 WeakPolarHBondContact O-CB 3.3Å; A153-K156 PolarHBondContact O-N 2.94Å; A153-K156 VanDerWaalsContact O-N 3.09Å | ||
| 154 | P | 86.9 | Confident | 85.5 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -53.3 | -40.4 | -179 | -27.1 | 34.2 | 0 | 0 | 0 | 114.4 | D130 K156 A157 | D130-P154 WeakPolarHBondContact OD1-CD 3.5Å; P154-K156 PolarHBondContact O-N 2.91Å; P154-A157 WeakPolarHBondContact O-CB 3.46Å; P154-A157 PolarHBondContact O-N 3.45Å |
| 155 | C | 88.7 | Confident | 85.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -50.4 | -28.3 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | D130 A153 E158 G159 C161 | D130-C155 VanDerWaalsContact OD1-CB 3.24Å; D130-C155 WeakPolarHBondContact OD1-CB 3.36Å; D130-C155 PolarHBondContact OD1-N 3.5Å; A153-C155 VanDerWaalsContact C-N 3.3Å; A153-C155 PolarHBondContact O-N 3.36Å; C155-E158 PolarHBondContact O-N 2.9Å; C155-G159 PolarHBondContact O-N 3.25Å; C155-C161 HydrophobicContact CB-CB 3.64Å; C155-C161 WeakPolarHBondContact CB-SG 3.07Å; C155-C161 WeakPolarHBondContact SG-CB 3.41Å; C155-C161 CovalentContact SG-SG 2.03Å; C155-C161 PolarHBondContact SG-SG 2.98Å |
| 156 | K | 85.4 | Confident | 86 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -72.5 | -31.3 | -178.1 | -172.1 | 173.3 | 173.5 | 178.3 | 0 | 111.9 | V148 K149 C151 A153 P154 E158 G159 | V148-K156 WeakPolarHBondContact O-CE 3.4Å; V148-K156 PolarHBondContact O-NZ 3.09Å; K149-K156 PolarHBondContact O-NZ 2.82Å; C151-K156 HydrophobicContact CB-CD 4.45Å; C151-K156 VanDerWaalsContact O-CD 3.22Å; C151-K156 WeakPolarHBondContact O-CD 3.45Å; C151-K156 PolarHBondContact O-NZ 3.28Å; A153-K156 WeakPolarHBondContact O-CB 3.3Å; A153-K156 PolarHBondContact O-N 2.94Å; A153-K156 VanDerWaalsContact O-N 3.09Å; P154-K156 PolarHBondContact O-N 2.91Å; K156-E158 VanDerWaalsContact C-N 3.29Å; K156-G159 PolarHBondContact O-N 3.48Å |
| 157 | A | 81.8 | Confident | 86.3 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 81% | 0.81 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P154 G159 | P154-A157 WeakPolarHBondContact O-CB 3.46Å; P154-A157 PolarHBondContact O-N 3.45Å; A157-G159 VanDerWaalsContact C-N 3.34Å |
| 158 | E | 79.8 | Confident | 86.6 | Confident | 165 Ų | 165 | 65.9 Ų | 65.9 | 77% | 0.771 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -83.7 | -8 | 177.9 | -60.3 | -172.8 | 178.8 | 0 | 0 | 113.5 | C155 K156 I160 | C155-E158 PolarHBondContact O-N 2.9Å; K156-E158 VanDerWaalsContact C-N 3.29Å; E158-I160 PolarHBondContact O-N 3.28Å |
| 159 | G | 76.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 89.6 | -20.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C155 K156 A157 | C155-G159 PolarHBondContact O-N 3.25Å; K156-G159 PolarHBondContact O-N 3.48Å; A157-G159 VanDerWaalsContact C-N 3.34Å |
| 160 | I | 81.8 | Confident | 87 | Confident | 154 Ų | 154 | 60.4 Ų | 60.4 | 79% | 0.79 | 34% | 0.343 | S | S | * | . | trans | -118 | 104.4 | 175.6 | -57 | 174.7 | 0 | 0 | 0 | 108.8 | E158 | E158-I160 PolarHBondContact O-N 3.28Š| ||
| 161 | C | 87.8 | Confident | 87.2 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | trans | -115.4 | 124.2 | 175.8 | -164.1 | 0 | 0 | 0 | 0 | 112 | C131 C132 C155 | C131-C161 VanDerWaalsContact C-SG 3.5Å; C131-C161 WeakPolarHBondContact CA-SG 3.29Å; C132-C161 PolarHBondContact N-SG 3.38Å; C132-C161 VanDerWaalsContact N-SG 3.43Å; C155-C161 HydrophobicContact CB-CB 3.64Å; C155-C161 WeakPolarHBondContact CB-SG 3.07Å; C155-C161 WeakPolarHBondContact SG-CB 3.41Å; C155-C161 CovalentContact SG-SG 2.03Å; C155-C161 PolarHBondContact SG-SG 2.98Å | ||
| 162 | P | 89.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -73.1 | 160 | 177.3 | 30.6 | -34.1 | 0 | 0 | 0 | 111.7 | C131 C132 K167 | C131-P162 WeakPolarHBondContact CA-O 3.24Å; C131-P162 WeakPolarHBondContact CB-O 3.42Å; C132-P162 PolarHBondContact N-O 2.91Å; C132-P162 VanDerWaalsContact N-O 3.11Å; P162-K167 HydrophobicContact CG-CD 4.21Å | ||
| 163 | S | 90.3 | Very high | 87.4 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | trans | -69.6 | 138.6 | 172.7 | 87.7 | 0 | 0 | 0 | 0 | 110.4 | L134 G165 D166 K167 | L134-S163 WeakPolarHBondContact O-CB 3.24Å; L134-S163 PolarHBondContact O-OG 3.2Å; S163-G165 PolarHBondContact O-N 3.44Å; S163-D166 PolarHBondContact O-N 3.31Å; S163-D166 WeakPolarHBondContact OG-CB 3.32Å; S163-D166 PolarHBondContact OG-N 3.16Å; S163-D166 PolarHBondContact OG-OD2 2.92Å; S163-K167 PolarHBondContact O-N 2.84Å | ||
| 164 | C | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 175.7 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | W114 C131 G133 D166 K167 M168 | W114-C164 HydrophobicContact CH2-CB 4.44Å; C131-C164 HydrophobicContact CB-CB 3.93Å; C131-C164 WeakPolarHBondContact CB-SG 3.47Å; C131-C164 PolarHBondContact O-SG 2.91Å; C131-C164 VanDerWaalsContact O-SG 3.41Å; C131-C164 WeakPolarHBondContact SG-CA 3.24Å; C131-C164 WeakPolarHBondContact SG-CB 3.45Å; C131-C164 CovalentContact SG-SG 2.03Å; C131-C164 PolarHBondContact SG-SG 3.38Å; G133-C164 WeakPolarHBondContact O-CB 3.42Å; G133-C164 PolarHBondContact O-N 3.48Å; C164-D166 PolarHBondContact O-N 3.02Å; C164-K167 PolarHBondContact O-N 3.18Å; C164-M168 VanDerWaalsContact O-CB 3.28Å; C164-M168 WeakPolarHBondContact O-CB 3.49Å; C164-M168 WeakPolarHBondContact O-CG 3.16Å; C164-M168 PolarHBondContact O-N 3.09Å |
| 165 | G | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L134 S163 M168 L169 | L134-G165 WeakPolarHBondContact O-CA 3.44Å; L134-G165 PolarHBondContact O-N 3.36Å; S163-G165 PolarHBondContact O-N 3.44Å; G165-M168 PolarHBondContact O-N 2.99Å; G165-L169 VanDerWaalsContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CB 3.32Å; G165-L169 WeakPolarHBondContact O-CD1 3.38Å; G165-L169 WeakPolarHBondContact O-CG 3.16Å; G165-L169 PolarHBondContact O-N 2.89Å |
| 166 | D | 89.1 | Confident | 88 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 177.5 | -71.8 | -51.1 | 0 | 0 | 0 | 112.1 | R103 S163 C164 N170 | R103-D166 IonicContact NH2-OD1 3.27Å; R103-D166 PolarHBondContact NH2-OD1 3.23Å; S163-D166 PolarHBondContact O-N 3.31Å; S163-D166 WeakPolarHBondContact OG-CB 3.32Å; S163-D166 PolarHBondContact OG-N 3.16Å; S163-D166 PolarHBondContact OG-OD2 2.92Å; C164-D166 PolarHBondContact O-N 3.02Å; D166-N170 WeakPolarHBondContact O-CB 3.23Å; D166-N170 PolarHBondContact O-N 3.2Å; D166-N170 VanDerWaalsContact O-N 3.11Å; D166-N170 PolarHBondContact O-ND2 2.88Å; D166-N170 PolarHBondContact O-OD1 2.87Å |
| 167 | K | 89.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 27% | 0.274 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 173.4 | -88.7 | -177.7 | 174.1 | 175.9 | 0 | 111.1 | L129 D130 C131 P162 S163 C164 L169 N170 H171 | L129-K167 WeakPolarHBondContact O-CD 3.37Å; L129-K167 PolarHBondContact O-NZ 2.87Å; D130-K167 PolarHBondContact O-NZ 3.37Å; C131-K167 HydrophobicContact CB-CD 4.1Å; P162-K167 HydrophobicContact CG-CD 4.21Å; S163-K167 PolarHBondContact O-N 2.84Å; C164-K167 PolarHBondContact O-N 3.18Å; K167-L169 PolarHBondContact O-N 3.12Å; K167-N170 PolarHBondContact O-N 3.04Å; K167-H171 PolarHBondContact O-CD2 2.93Å; K167-H171 PolarHBondContact O-N 3.47Å |
| 168 | M | 90.5 | Very high | 89.1 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | -179.1 | -71.4 | 177 | 80 | 0 | 0 | 112.3 | L110 L129 C164 G165 N170 H171 A172 | L110-M168 HydrophobicContact CD1-CE 3.54Å; L110-M168 HydrophobicContact CD1-SD 4.04Å; L110-M168 HydrophobicContact CD2-CB 4.14Å; L129-M168 HydrophobicContact CD1-CG 3.92Å; L129-M168 HydrophobicContact CD1-SD 4.39Å; C164-M168 VanDerWaalsContact O-CB 3.28Å; C164-M168 WeakPolarHBondContact O-CB 3.49Å; C164-M168 WeakPolarHBondContact O-CG 3.16Å; C164-M168 PolarHBondContact O-N 3.09Å; G165-M168 PolarHBondContact O-N 2.99Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 3.12Å; M168-H171 PolarHBondContact O-N 2.84Å; M168-A172 WeakPolarHBondContact O-CB 3.29Å; M168-A172 PolarHBondContact O-N 3.13Å |
| 169 | L | 91.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.2 | -73.4 | 167.9 | 0 | 0 | 0 | 112.1 | Q106 V107 L110 L135 G165 K167 A172 A173 | Q106-L169 HydrophobicContact CB-CD2 3.47Å; Q106-L169 VanDerWaalsContact CB-CD2 3.47Å; V107-L169 HydrophobicContact CG2-CD1 3.54Å; V107-L169 HydrophobicContact CG2-CD2 4.09Å; V107-L169 HydrophobicContact CG2-CG 4.49Å; L110-L169 HydrophobicContact CD2-CD2 4.13Å; L110-L169 HydrophobicContact CD2-CG 3.94Å; L135-L169 HydrophobicContact CD1-CD1 4.38Å; L135-L169 HydrophobicContact CD2-CD1 4.18Å; G165-L169 VanDerWaalsContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CB 3.32Å; G165-L169 WeakPolarHBondContact O-CD1 3.38Å; G165-L169 WeakPolarHBondContact O-CG 3.16Å; G165-L169 PolarHBondContact O-N 2.89Å; K167-L169 PolarHBondContact O-N 3.12Å; L169-A172 PolarHBondContact O-N 3.31Å; L169-A173 WeakPolarHBondContact O-CB 3.27Å; L169-A173 PolarHBondContact O-N 3.43Å |
| 170 | N | 88.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.7 | -69.2 | -12.9 | 0 | 0 | 0 | 110.9 | R103 D166 K167 M168 | R103-N170 PolarHBondContact NH1-OD1 3.43Å; D166-N170 WeakPolarHBondContact O-CB 3.23Å; D166-N170 PolarHBondContact O-N 3.2Å; D166-N170 VanDerWaalsContact O-N 3.11Å; D166-N170 PolarHBondContact O-ND2 2.88Å; D166-N170 PolarHBondContact O-OD1 2.87Å; K167-N170 PolarHBondContact O-N 3.04Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 3.12Å |
| 171 | H | 88.8 | Confident | 91.4 | Very high | 123 Ų | 123 | 55.9 Ų | 55.9 | 57% | 0.569 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.2 | -37.4 | 175.5 | -71.5 | -59.8 | 0 | 0 | 0 | 113.1 | K167 M168 A173 E174 A175 | K167-H171 PolarHBondContact O-CD2 2.93Å; K167-H171 PolarHBondContact O-N 3.47Å; M168-H171 PolarHBondContact O-N 2.84Å; H171-A173 VanDerWaalsContact C-N 3.35Å; H171-A173 PolarHBondContact O-N 2.63Å; H171-E174 PolarHBondContact O-N 2.99Å; H171-A175 VanDerWaalsContact O-CB 3.28Å; H171-A175 WeakPolarHBondContact O-CB 3.33Å; H171-A175 PolarHBondContact O-N 3.35Å |
| 172 | A | 90.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M168 L169 E174 A175 L176 | M168-A172 WeakPolarHBondContact O-CB 3.29Å; M168-A172 PolarHBondContact O-N 3.13Å; L169-A172 PolarHBondContact O-N 3.31Å; A172-E174 PolarHBondContact O-N 3.49Å; A172-A175 PolarHBondContact O-N 3.35Å; A172-L176 VanDerWaalsContact O-CB 3.23Å; A172-L176 WeakPolarHBondContact O-CB 3.44Å; A172-L176 WeakPolarHBondContact O-CG 3.43Å; A172-L176 PolarHBondContact O-N 3.11Å |
| 173 | A | 89.1 | Confident | 91.9 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L169 H171 K177 | L169-A173 WeakPolarHBondContact O-CB 3.27Å; L169-A173 PolarHBondContact O-N 3.43Å; H171-A173 VanDerWaalsContact C-N 3.35Å; H171-A173 PolarHBondContact O-N 2.63Å; A173-K177 WeakPolarHBondContact O-CG 3.5Å; A173-K177 PolarHBondContact O-N 3.4Å |
| 174 | E | 91.4 | Very high | 92.2 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -70.1 | -47.2 | 175.6 | -173.5 | 174 | -171 | 0 | 0 | 111.2 | H171 A172 L176 K177 I178 | H171-E174 PolarHBondContact O-N 2.99Å; A172-E174 PolarHBondContact O-N 3.49Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.03Å; E174-K177 PolarHBondContact O-N 3.36Å; E174-I178 HydrophobicContact CG-CD1 4.01Å; E174-I178 WeakPolarHBondContact O-CG1 3.39Å; E174-I178 PolarHBondContact O-N 3.05Å |
| 175 | A | 92.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 63 Ų | 63 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H171 A172 K177 I178 L179 | H171-A175 VanDerWaalsContact O-CB 3.28Å; H171-A175 WeakPolarHBondContact O-CB 3.33Å; H171-A175 PolarHBondContact O-N 3.35Å; A172-A175 PolarHBondContact O-N 3.35Å; A175-K177 PolarHBondContact O-N 3.42Å; A175-I178 PolarHBondContact O-N 2.82Å; A175-L179 WeakPolarHBondContact O-CB 3.34Å; A175-L179 PolarHBondContact O-N 2.97Å |
| 176 | L | 93.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.5 | -75.8 | 169.4 | 0 | 0 | 0 | 112.2 | C98 M101 Q106 A172 E174 G180 | C98-L176 HydrophobicContact CB-CD2 4.1Å; M101-L176 HydrophobicContact CB-CD1 4.33Å; M101-L176 HydrophobicContact CE-CD1 4.34Å; M101-L176 HydrophobicContact CG-CD1 4.11Å; Q106-L176 HydrophobicContact CG-CD1 4.02Å; A172-L176 VanDerWaalsContact O-CB 3.23Å; A172-L176 WeakPolarHBondContact O-CB 3.44Å; A172-L176 WeakPolarHBondContact O-CG 3.43Å; A172-L176 PolarHBondContact O-N 3.11Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.03Å; L176-G180 PolarHBondContact O-N 3.01Å |
| 177 | K | 93.9 | Very high | 92.8 | Very high | 138 Ų | 138 | 62.6 Ų | 62.6 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 174.9 | -75.2 | 175.1 | -179.8 | 179.3 | 0 | 111.6 | A173 E174 A175 G181 | A173-K177 WeakPolarHBondContact O-CG 3.5Å; A173-K177 PolarHBondContact O-N 3.4Å; E174-K177 PolarHBondContact O-N 3.36Å; A175-K177 PolarHBondContact O-N 3.42Å; K177-G181 PolarHBondContact O-N 2.85Å |
| 178 | I | 95.4 | Very high | 93 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -50.4 | 176.9 | -65.6 | 169 | 0 | 0 | 0 | 109.8 | E174 A175 G180 G181 V182 | E174-I178 HydrophobicContact CG-CD1 4.01Å; E174-I178 WeakPolarHBondContact O-CG1 3.39Å; E174-I178 PolarHBondContact O-N 3.05Å; A175-I178 PolarHBondContact O-N 2.82Å; I178-G180 PolarHBondContact O-N 3.5Å; I178-G181 PolarHBondContact O-N 3.31Å; I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 VanDerWaalsContact O-CG2 3.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.23Å; I178-V182 PolarHBondContact O-N 3.32Å |
| 179 | L | 93.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 58% | 0.581 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | -178.3 | -174.4 | 66.4 | 0 | 0 | 0 | 111.8 | A175 V182 G183 | A175-L179 WeakPolarHBondContact O-CB 3.34Å; A175-L179 PolarHBondContact O-N 2.97Å; L179-V182 PolarHBondContact O-N 3.21Å; L179-G183 PolarHBondContact O-N 3.46Å |
| 180 | G | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S95 L176 I178 L184 | S95-G180 WeakPolarHBondContact CB-O 3.32Å; L176-G180 PolarHBondContact O-N 3.01Å; I178-G180 PolarHBondContact O-N 3.5Å; G180-L184 WeakPolarHBondContact O-CB 3.46Å; G180-L184 WeakPolarHBondContact O-CG 3.44Å; G180-L184 PolarHBondContact O-N 3.41Å |
| 181 | G | 95.6 | Very high | 93.4 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K177 I178 L184 F185 | K177-G181 PolarHBondContact O-N 2.85Å; I178-G181 PolarHBondContact O-N 3.31Å; G181-L184 PolarHBondContact O-N 2.85Å; G181-F185 PolarHBondContact O-N 3.42Å |
| 182 | V | 94.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I178 L179 L184 F185 F186 | I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 VanDerWaalsContact O-CG2 3.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.23Å; I178-V182 PolarHBondContact O-N 3.32Å; L179-V182 PolarHBondContact O-N 3.21Å; V182-L184 PolarHBondContact O-N 3.4Å; V182-F185 WeakPolarHBondContact O-CB 3.39Å; V182-F185 PolarHBondContact O-N 3.48Å; V182-F186 HydrophobicContact CG1-CD2 3.74Å; V182-F186 HydrophobicContact CG1-CE2 3.66Å; V182-F186 VanDerWaalsContact O-CD2 3.28Å; V182-F186 WeakPolarHBondContact O-CD2 3.19Å; V182-F186 PolarHBondContact O-N 3.18Å |
| 183 | G | 95.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q91 S95 L179 F185 F186 S187 | Q91-G183 PolarHBondContact NE2-O 3.49Å; S95-G183 WeakPolarHBondContact OG-CA 3.48Å; L179-G183 PolarHBondContact O-N 3.46Å; G183-F185 PolarHBondContact O-N 2.88Å; G183-F186 PolarHBondContact O-N 3.29Å; G183-S187 WeakPolarHBondContact O-CB 3.33Å; G183-S187 PolarHBondContact O-N 3.11Å; G183-S187 PolarHBondContact O-OG 2.87Å; G183-S187 VanDerWaalsContact O-OG 3.09Å |
| 184 | L | 95.7 | Very high | 94 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 173.3 | -82.2 | -174.7 | 0 | 0 | 0 | 112.3 | F92 S95 L99 G180 G181 V182 F186 S187 F188 | F92-L184 HydrophobicContact CD2-CD2 3.54Å; F92-L184 HydrophobicContact CE2-CD2 3.67Å; S95-L184 PolarHBondContact OG-N 3.28Å; L99-L184 HydrophobicContact CD1-CD1 3.29Å; L99-L184 HydrophobicContact CD1-CG 3.99Å; G180-L184 WeakPolarHBondContact O-CB 3.46Å; G180-L184 WeakPolarHBondContact O-CG 3.44Å; G180-L184 PolarHBondContact O-N 3.41Å; G181-L184 PolarHBondContact O-N 2.85Å; V182-L184 PolarHBondContact O-N 3.4Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 3.05Å; L184-S187 PolarHBondContact O-N 3.42Å; L184-S187 VanDerWaalsContact O-N 3.17Å; L184-F188 HydrophobicContact CB-CE2 4.43Å; L184-F188 WeakPolarHBondContact O-CD2 3.48Å; L184-F188 PolarHBondContact O-N 3.44Å |
| 185 | F | 95 | Very high | 94.1 | Very high | 141 Ų | 141 | 60.4 Ų | 60.4 | 62% | 0.618 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.8 | -47.9 | 177.2 | 172.1 | -95.9 | 0 | 0 | 0 | 111.4 | G181 V182 G183 S187 F188 S189 | G181-F185 PolarHBondContact O-N 3.42Å; V182-F185 WeakPolarHBondContact O-CB 3.39Å; V182-F185 PolarHBondContact O-N 3.48Å; G183-F185 PolarHBondContact O-N 2.88Å; F185-S187 PolarHBondContact O-N 2.99Å; F185-F188 PolarHBondContact O-N 2.93Å; F185-S189 PolarHBondContact O-N 3.42Å; F185-S189 VanDerWaalsContact O-N 3.13Å |
| 186 | F | 93 | Very high | 94 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 176.8 | -81.2 | -69.5 | 0 | 0 | 0 | 111.9 | V25 V182 G183 L184 F188 S189 E190 | V25-F186 HydrophobicContact CG1-CZ 4.42Å; V25-F186 HydrophobicContact CG2-CE1 4.48Å; V182-F186 HydrophobicContact CG1-CD2 3.74Å; V182-F186 HydrophobicContact CG1-CE2 3.66Å; V182-F186 VanDerWaalsContact O-CD2 3.28Å; V182-F186 WeakPolarHBondContact O-CD2 3.19Å; V182-F186 PolarHBondContact O-N 3.18Å; G183-F186 PolarHBondContact O-N 3.29Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 3.05Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.14Å; F186-S189 CarbonylContact O-C 3.6Å; F186-S189 WeakPolarHBondContact O-CA 3.4Å; F186-S189 WeakPolarHBondContact O-CB 3.36Å; F186-S189 PolarHBondContact O-N 3.34Å; F186-S189 PolarHBondContact O-OG 3.42Å; F186-E190 WeakPolarHBondContact O-CG 3.34Å; F186-E190 PolarHBondContact O-N 3.29Å |
| 187 | S | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | F88 Q91 F92 G183 L184 F185 E190 I191 | F88-S187 WeakPolarHBondContact CD2-O 3.09Å; Q91-S187 WeakPolarHBondContact CB-OG 3.25Å; Q91-S187 VanDerWaalsContact CG-OG 3.3Å; Q91-S187 WeakPolarHBondContact CG-OG 3.32Å; Q91-S187 PolarHBondContact NE2-OG 2.95Å; F92-S187 PolarHBondContact N-OG 3.49Å; G183-S187 WeakPolarHBondContact O-CB 3.33Å; G183-S187 PolarHBondContact O-N 3.11Å; G183-S187 PolarHBondContact O-OG 2.87Å; G183-S187 VanDerWaalsContact O-OG 3.09Å; L184-S187 PolarHBondContact O-N 3.42Å; L184-S187 VanDerWaalsContact O-N 3.17Å; F185-S187 PolarHBondContact O-N 2.99Å; S187-E190 PolarHBondContact O-N 2.87Å; S187-I191 PolarHBondContact O-N 3.44Å; S187-I191 VanDerWaalsContact O-N 3.11Å |
| 188 | F | 93.3 | Very high | 93.8 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 171.3 | -72 | -59.1 | 0 | 0 | 0 | 112.7 | L184 F185 F186 E190 I191 L192 | L184-F188 HydrophobicContact CB-CE2 4.43Å; L184-F188 WeakPolarHBondContact O-CD2 3.48Å; L184-F188 PolarHBondContact O-N 3.44Å; F185-F188 PolarHBondContact O-N 2.93Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.14Å; F188-E190 VanDerWaalsContact C-N 3.31Å; F188-E190 PolarHBondContact O-N 3.41Å; F188-I191 WeakPolarHBondContact O-CG2 3.21Å; F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.3Å; F188-L192 PolarHBondContact O-N 3.44Å |
| 189 | S | 92.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 173.5 | 81.5 | 0 | 0 | 0 | 0 | 112.3 | Y22 F185 F186 L192 G193 | Y22-S189 PolarHBondContact OH-OG 3.25Å; F185-S189 PolarHBondContact O-N 3.42Å; F185-S189 VanDerWaalsContact O-N 3.13Å; F186-S189 CarbonylContact O-C 3.6Å; F186-S189 WeakPolarHBondContact O-CA 3.4Å; F186-S189 WeakPolarHBondContact O-CB 3.36Å; F186-S189 PolarHBondContact O-N 3.34Å; F186-S189 PolarHBondContact O-OG 3.42Å; S189-L192 WeakPolarHBondContact O-CB 3.28Å; S189-L192 PolarHBondContact O-N 2.97Å; S189-G193 PolarHBondContact O-N 3.25Å |
| 190 | E | 93.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.9 | -44.2 | -179.5 | -71.3 | 170.2 | 159.3 | 0 | 0 | 111.9 | Y22 V87 F88 Q91 F186 S187 F188 L192 G193 V194 | Y22-E190 PolarHBondContact OH-N 3.09Å; V87-E190 VanDerWaalsContact CG1-OE1 3.25Å; V87-E190 WeakPolarHBondContact CG1-OE1 3.5Å; F88-E190 VanDerWaalsContact CA-OE2 3.31Å; F88-E190 WeakPolarHBondContact CA-OE2 3.49Å; F88-E190 HydrophobicContact CB-CB 4.32Å; Q91-E190 PolarHBondContact OE1-OE1 2.92Å; F186-E190 WeakPolarHBondContact O-CG 3.34Å; F186-E190 PolarHBondContact O-N 3.29Å; S187-E190 PolarHBondContact O-N 2.87Å; F188-E190 VanDerWaalsContact C-N 3.31Å; F188-E190 PolarHBondContact O-N 3.41Å; E190-L192 VanDerWaalsContact C-N 3.28Å; E190-L192 PolarHBondContact O-N 2.84Å; E190-G193 CarbonylContact O-C 3.53Å; E190-G193 WeakPolarHBondContact O-CA 3.39Å; E190-G193 PolarHBondContact O-N 3.22Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 2.85Å |
| 191 | I | 93.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 32% | 0.323 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 176.4 | -169.2 | 63.9 | 0 | 0 | 0 | 111.4 | F88 S187 F188 V194 W195 | F88-I191 HydrophobicContact CD2-CB 4.32Å; F88-I191 HydrophobicContact CE2-CB 4.24Å; S187-I191 PolarHBondContact O-N 3.44Å; S187-I191 VanDerWaalsContact O-N 3.11Å; F188-I191 WeakPolarHBondContact O-CG2 3.21Å; I191-V194 PolarHBondContact O-N 3.34Å; I191-W195 WeakPolarHBondContact O-CB 3.38Å; I191-W195 PolarHBondContact O-N 2.94Å |
| 192 | L | 92.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 170.2 | -71.1 | 173.1 | 0 | 0 | 0 | 111.4 | F188 S189 E190 W195 L196 | F188-L192 VanDerWaalsContact O-CG 3.31Å; F188-L192 WeakPolarHBondContact O-CG 3.3Å; F188-L192 PolarHBondContact O-N 3.44Å; S189-L192 WeakPolarHBondContact O-CB 3.28Å; S189-L192 PolarHBondContact O-N 2.97Å; E190-L192 VanDerWaalsContact C-N 3.28Å; E190-L192 PolarHBondContact O-N 2.84Å; L192-W195 PolarHBondContact O-N 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.34Å |
| 193 | G | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S189 E190 L196 A197 | S189-G193 PolarHBondContact O-N 3.25Å; E190-G193 CarbonylContact O-C 3.53Å; E190-G193 WeakPolarHBondContact O-CA 3.39Å; E190-G193 PolarHBondContact O-N 3.22Å; G193-L196 PolarHBondContact O-N 3.01Å; G193-A197 WeakPolarHBondContact O-CB 3.34Å; G193-A197 PolarHBondContact O-N 3.42Å |
| 194 | V | 94.8 | Very high | 90.7 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | L84 F85 E190 I191 L196 A197 V198 | L84-V194 HydrophobicContact CB-CG2 3.64Å; L84-V194 HydrophobicContact CD1-CG2 4.27Å; F85-V194 HydrophobicContact CB-CG2 4.47Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 2.85Å; I191-V194 PolarHBondContact O-N 3.34Å; V194-L196 PolarHBondContact O-N 3.03Å; V194-A197 PolarHBondContact O-N 2.92Å; V194-V198 HydrophobicContact CG1-CG2 4.36Å; V194-V198 WeakPolarHBondContact O-CG2 3.15Å; V194-V198 PolarHBondContact O-N 2.89Å |
| 195 | W | 92.9 | Very high | 89.5 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 178.1 | 177.3 | 85.9 | 0 | 0 | 0 | 112.5 | I191 L192 V198 R199 | I191-W195 WeakPolarHBondContact O-CB 3.38Å; I191-W195 PolarHBondContact O-N 2.94Å; L192-W195 PolarHBondContact O-N 3.25Å; W195-V198 PolarHBondContact O-N 3.47Å; W195-R199 VanDerWaalsContact CH2-NH1 3.32Å; W195-R199 WeakPolarHBondContact O-CB 3.44Å; W195-R199 PolarHBondContact O-N 3.49Å |
| 196 | L | 91.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.6 | -76.4 | 173.1 | 0 | 0 | 0 | 111.5 | A14 L15 L192 G193 V194 R199 Y200 | A14-L196 HydrophobicContact CB-CD1 4.13Å; A14-L196 HydrophobicContact CB-CD2 4.41Å; L15-L196 HydrophobicContact CD1-CB 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.34Å; G193-L196 PolarHBondContact O-N 3.01Å; V194-L196 PolarHBondContact O-N 3.03Å; L196-R199 PolarHBondContact O-N 2.88Å; L196-Y200 WeakPolarHBondContact O-CB 3.25Å; L196-Y200 PolarHBondContact O-N 2.88Å |
| 197 | A | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L15 Y80 M81 G193 V194 Y200 R201 | L15-A197 HydrophobicContact CD1-CB 4.23Å; L15-A197 HydrophobicContact CD2-CB 4.29Å; Y80-A197 HydrophobicContact CD1-CB 4.16Å; Y80-A197 HydrophobicContact CE1-CB 4.09Å; M81-A197 HydrophobicContact CG-CB 3.46Å; M81-A197 VanDerWaalsContact CG-CB 3.46Å; M81-A197 VanDerWaalsContact SD-C 3.6Å; M81-A197 HydrophobicContact SD-CB 3.82Å; G193-A197 WeakPolarHBondContact O-CB 3.34Å; G193-A197 PolarHBondContact O-N 3.42Å; V194-A197 PolarHBondContact O-N 2.92Å; A197-Y200 PolarHBondContact O-N 3.35Å; A197-R201 WeakPolarHBondContact O-CB 3.28Å; A197-R201 PolarHBondContact O-N 3.49Å |
| 198 | V | 91.4 | Very high | 85 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 38% | 0.376 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 174.3 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | M81 V194 W195 R201 N202 | M81-V198 VanDerWaalsContact SD-CA 3.6Å; M81-V198 HydrophobicContact SD-CB 4.11Å; M81-V198 HydrophobicContact SD-CG2 3.39Å; M81-V198 WeakPolarHBondContact SD-CG2 3.15Å; M81-V198 PolarHBondContact SD-N 3.18Å; M81-V198 VanDerWaalsContact SD-N 3.35Å; V194-V198 HydrophobicContact CG1-CG2 4.36Å; V194-V198 WeakPolarHBondContact O-CG2 3.15Å; V194-V198 PolarHBondContact O-N 2.89Å; W195-V198 PolarHBondContact O-N 3.47Å; V198-R201 PolarHBondContact O-N 3.05Å; V198-N202 WeakPolarHBondContact O-CB 3.38Å; V198-N202 VanDerWaalsContact O-CG 3.28Å; V198-N202 PolarHBondContact O-N 3.22Å; V198-N202 VanDerWaalsContact O-N 3.11Å; V198-N202 PolarHBondContact O-ND2 3.47Å |
| 199 | R | 89.7 | Confident | 83.1 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 30% | 0.302 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 178.7 | -177.9 | -178.7 | 178.5 | 156.2 | 7.8 | 111.5 | G6 W195 L196 N202 Q203 | G6-R199 PolarHBondContact O-NH2 3.15Å; W195-R199 VanDerWaalsContact CH2-NH1 3.32Å; W195-R199 WeakPolarHBondContact O-CB 3.44Å; W195-R199 PolarHBondContact O-N 3.49Å; L196-R199 PolarHBondContact O-N 2.88Å; R199-N202 PolarHBondContact O-N 3.12Å; R199-Q203 WeakPolarHBondContact O-CG 3.43Å; R199-Q203 PolarHBondContact O-N 2.97Å |
| 200 | Y | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | -177.5 | -176.8 | -124.1 | 0 | 0 | 0 | 112.4 | F8 K12 L15 A69 H72 L77 L196 A197 N202 Q203 | F8-Y200 HydrophobicContact CD1-CE2 4.17Å; F8-Y200 HydrophobicContact CD2-CD2 4.16Å; F8-Y200 AromaticContact CD2-CE2 3.62Å; F8-Y200 HydrophobicContact CD2-CE2 3.62Å; F8-Y200 HydrophobicContact CE1-CE2 4.02Å; F8-Y200 HydrophobicContact CE2-CD2 4.26Å; F8-Y200 AromaticContact CE2-CE2 3.46Å; F8-Y200 HydrophobicContact CE2-CE2 3.46Å; F8-Y200 VanDerWaalsContact CE2-CE2 3.46Å; F8-Y200 AromaticContact CE2-CZ 3.97Å; F8-Y200 AromaticContact CG-CE2 3.99Å; F8-Y200 HydrophobicContact CG-CE2 3.99Å; F8-Y200 AromaticContact CZ-CE2 3.67Å; F8-Y200 HydrophobicContact CZ-CE2 3.67Å; F8-Y200 AromaticContact CZ-CZ 3.84Å; F8-Y200 VanDerWaalsContact CZ-OH 3.25Å; F8-Y200 WeakPolarHBondContact CZ-OH 3.33Å; K12-Y200 HydrophobicContact CB-CD2 4.36Å; K12-Y200 HydrophobicContact CB-CE2 3.61Å; K12-Y200 HydrophobicContact CG-CE2 4.31Å; L15-Y200 HydrophobicContact CD2-CD1 3.9Å; A69-Y200 PolarHBondContact O-OH 3.1Å; H72-Y200 AromaticContact CD2-CE1 3.5Å; H72-Y200 VanDerWaalsContact CD2-CE1 3.5Å; H72-Y200 WeakPolarHBondContact CD2-CE1 3.28Å; H72-Y200 AromaticContact CD2-CE2 3.96Å; H72-Y200 AromaticContact CD2-CZ 3.38Å; H72-Y200 PolarHBondContact CD2-OH 3.3Å; H72-Y200 PolarHBondContact NE2-O 3.32Å; H72-Y200 VanDerWaalsContact NE2-O 3.14Å; L77-Y200 HydrophobicContact CD2-CD1 3.74Å; L77-Y200 HydrophobicContact CD2-CE1 4.36Å; L196-Y200 WeakPolarHBondContact O-CB 3.25Å; L196-Y200 PolarHBondContact O-N 2.88Å; A197-Y200 PolarHBondContact O-N 3.35Å; Y200-N202 VanDerWaalsContact C-N 3.34Å; Y200-N202 PolarHBondContact O-N 3.17Å; Y200-Q203 PolarHBondContact O-N 2.99Å |
| 201 | R | 86.5 | Confident | 79.7 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.8 | -175.1 | -172 | 153.9 | -178.8 | -10 | 111.9 | Q74 L77 A197 V198 Q203 | Q74-R201 PolarHBondContact NE2-O 2.89Å; L77-R201 HydrophobicContact CD2-CB 4.27Å; A197-R201 WeakPolarHBondContact O-CB 3.28Å; A197-R201 PolarHBondContact O-N 3.49Å; V198-R201 PolarHBondContact O-N 3.05Å; R201-Q203 VanDerWaalsContact C-N 3.27Å; R201-Q203 PolarHBondContact O-N 3.26Å |
| 202 | N | 85.6 | Confident | 77.6 | Confident | 122 Ų | 122 | 81 Ų | 81 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.7 | -179.6 | -69.4 | -21.9 | 0 | 0 | 0 | 113.9 | V198 R199 Y200 | V198-N202 WeakPolarHBondContact O-CB 3.38Å; V198-N202 VanDerWaalsContact O-CG 3.28Å; V198-N202 PolarHBondContact O-N 3.22Å; V198-N202 VanDerWaalsContact O-N 3.11Å; V198-N202 PolarHBondContact O-ND2 3.47Å; R199-N202 PolarHBondContact O-N 3.12Å; Y200-N202 VanDerWaalsContact C-N 3.34Å; Y200-N202 PolarHBondContact O-N 3.17Å |
| 203 | Q | 83.4 | Confident | 75.4 | Confident | 39 Ų | 39 | 85 Ų | 85 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -84.9 | 134.3 | 173.4 | -72.1 | 166.9 | -17.5 | 0 | 0 | 110.2 | G6 F8 H72 R199 Y200 R201 | G6-Q203 PolarHBondContact O-NE2 3.08Å; G6-Q203 VanDerWaalsContact O-NE2 3.14Å; F8-Q203 HydrophobicContact CD2-CB 3.92Å; H72-Q203 PolarHBondContact CE1-O 2.96Å; R199-Q203 WeakPolarHBondContact O-CG 3.43Å; R199-Q203 PolarHBondContact O-N 2.97Å; Y200-Q203 PolarHBondContact O-N 2.99Å; R201-Q203 VanDerWaalsContact C-N 3.27Å; R201-Q203 PolarHBondContact O-N 3.26Å |
| 204 | K | 72.6 | Confident | 72.9 | Confident | 184 Ų | 184 | 96.9 Ų | 96.9 | 80% | 0.8 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 135 | 170.8 | -68.2 | -173.6 | 178.6 | -176.3 | 0 | 109.3 | P206 | K204-P206 VanDerWaalsContact O-CD 3.27Å; K204-P206 WeakPolarHBondContact O-CD 3.43Å |
| 205 | D | 70.7 | Confident | 71.8 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 26% | 0.262 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 117.2 | 171.9 | -172.3 | -17.4 | 0 | 0 | 0 | 108.7 | F8 R207 A208 | F8-D205 HydrophobicContact CE2-CB 4.1Å; F8-D205 HydrophobicContact CZ-CB 3.93Å; D205-R207 PolarHBondContact O-N 2.94Å; D205-R207 VanDerWaalsContact O-N 3.12Å; D205-R207 WeakPolarHBondContact OD1-CB 3.35Å; D205-R207 PolarHBondContact OD1-N 3.2Å; D205-A208 HydrophobicContact CB-CB 4.08Å; D205-A208 WeakPolarHBondContact O-CB 3.48Å; D205-A208 PolarHBondContact O-N 3.14Å |
| 206 | P | 64.2 | Low | 70.7 | Confident | 98 Ų | 98 | 98.7 Ų | 98.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -12.4 | 179 | 26.4 | -34 | 0 | 0 | 0 | 113.3 | F8 K204 | F8-P206 HydrophobicContact CB-CG 4.47Å; F8-P206 HydrophobicContact CD1-CG 4.2Å; F8-P206 HydrophobicContact CG-CG 4.36Å; K204-P206 VanDerWaalsContact O-CD 3.27Å; K204-P206 WeakPolarHBondContact O-CD 3.43Å |
| 207 | R | 63.7 | Low | 69.5 | Low | 221 Ų | 221 | 102.6 Ų | 102.6 | 83% | 0.834 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -14 | 173.9 | -60.4 | -179.5 | 179.8 | 172.6 | -1.2 | 113.2 | D205 N209 | D205-R207 PolarHBondContact O-N 2.94Å; D205-R207 VanDerWaalsContact O-N 3.12Å; D205-R207 WeakPolarHBondContact OD1-CB 3.35Å; D205-R207 PolarHBondContact OD1-N 3.2Å; R207-N209 PolarHBondContact O-N 2.85Å |
| 208 | A | 61.3 | Low | 68.2 | Low | 64 Ų | 64 | 108.6 Ų | 108.6 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -71.2 | 115 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | D205 P210 | D205-A208 HydrophobicContact CB-CB 4.08Å; D205-A208 WeakPolarHBondContact O-CB 3.48Å; D205-A208 PolarHBondContact O-N 3.14Å; A208-P210 WeakPolarHBondContact O-CD 3.27Å |
| 209 | N | 52.2 | Low | 66.8 | Low | 112 Ų | 112 | 111.5 Ų | 111.5 | 60% | 0.599 | 58% | 0.584 | S | S | * | * | trans | -58.4 | 121.2 | -179.8 | -146.3 | -5.7 | 0 | 0 | 0 | 108.5 | R207 S211 A212 | R207-N209 PolarHBondContact O-N 2.85Å; N209-S211 PolarHBondContact O-N 2.83Å; N209-A212 HydrophobicContact CB-CB 4.47Å; N209-A212 PolarHBondContact O-N 2.97Å | ||
| 210 | P | 57 | Low | 65.2 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -11.7 | -175.8 | 21.6 | -31.2 | 0 | 0 | 0 | 113.6 | A208 | A208-P210 WeakPolarHBondContact O-CD 3.27Š|
| 211 | S | 57.2 | Low | 63.6 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.3 | 177.4 | -34.9 | 0 | 0 | 0 | 0 | 114.4 | N209 F213 | N209-S211 PolarHBondContact O-N 2.83Å; S211-F213 PolarHBondContact O-N 2.95Å |
| 212 | A | 49 | Very low | 61.9 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | trans | -90.3 | 59.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N209 | N209-A212 HydrophobicContact CB-CB 4.47Å; N209-A212 PolarHBondContact O-N 2.97Å | ||
| 213 | F | 47.1 | Very low | 59.9 | Low | 187 Ų | 187 | 125 Ų | 125 | 82% | 0.82 | 67% | 0.674 | S | S | * | * | trans | -106.5 | 89.3 | 159.2 | -96.1 | -82.5 | 0 | 0 | 0 | 107 | S211 | S211-F213 PolarHBondContact O-N 2.95Š| ||
| 214 | L | 40.5 | Very low | 57.8 | Low | 249 Ų | 249 | 132.8 Ų | 132.8 | 100% | 1.304 | 72% | 0.719 | S | S | * | * | trans | -153.3 | 0 | 151.8 | -93.4 | 172.3 | 0 | 0 | 0 | 107.2 |
Retrieved 214 of 214 residues in 426.6 ms
(Link to these results)