| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.8 | Very low | 84.1 | Confident | 238 Ų | 238 | 77.3 Ų | 77.3 | 100% | 1.172 | 40% | 0.395 | S | S | * | . | 0 | 121.7 | 0 | -81.8 | 172.8 | 170.1 | 0 | 0 | 108 | V3 | M1-V3 PolarHBondContact O-N 3.06Š| |||
| 2 | Q | 65.8 | Low | 85.2 | Confident | 202 Ų | 202 | 71.2 Ų | 71.2 | 94% | 0.944 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 116.8 | 172.2 | -78.4 | 175.3 | -16.5 | 0 | 0 | 108.3 | N4 | Q2-N4 PolarHBondContact O-N 3.2Š|
| 3 | V | 78.1 | Confident | 86.1 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 122.8 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | M1 V8 P452 | M1-V3 PolarHBondContact O-N 3.06Å; V3-V8 HydrophobicContact CG1-CG2 3.65Å; V3-P452 HydrophobicContact CB-CB 3.73Å; V3-P452 HydrophobicContact CG1-CB 4.35Å; V3-P452 HydrophobicContact CG2-CB 3.83Å |
| 4 | N | 85.9 | Confident | 86.9 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 118 | 174 | 174.3 | -1.3 | 0 | 0 | 0 | 108.4 | Q2 V6 Y7 | Q2-N4 PolarHBondContact O-N 3.2Å; N4-V6 PolarHBondContact O-N 3.12Å; N4-V6 VanDerWaalsContact O-N 3.11Å; N4-V6 WeakPolarHBondContact OD1-CB 3.44Å; N4-V6 VanDerWaalsContact OD1-CG2 3.25Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.33Å; N4-V6 PolarHBondContact OD1-N 3.39Å; N4-V6 VanDerWaalsContact OD1-N 3.15Å; N4-Y7 HydrophobicContact CB-CD2 3.64Å; N4-Y7 HydrophobicContact CB-CE2 3.85Å; N4-Y7 PolarHBondContact O-N 2.89Å |
| 5 | P | 87.3 | Confident | 87.7 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -25.2 | -173.3 | 26.4 | -37.2 | 0 | 0 | 0 | 113.3 | Y7 V8 E9 T454 Y504 | P5-Y7 VanDerWaalsContact C-N 3.27Å; P5-Y7 PolarHBondContact O-N 3.32Å; P5-V8 PolarHBondContact O-N 3.1Å; P5-V8 VanDerWaalsContact O-N 3.15Å; P5-E9 PolarHBondContact O-N 3.32Å; P5-T454 HydrophobicContact CB-CG2 3.68Å; P5-Y504 HydrophobicContact CB-CD1 3.84Å; P5-Y504 HydrophobicContact CB-CE1 4.49Å |
| 6 | V | 89 | Confident | 88.3 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | N4 S10 N64 | N4-V6 PolarHBondContact O-N 3.12Å; N4-V6 VanDerWaalsContact O-N 3.11Å; N4-V6 WeakPolarHBondContact OD1-CB 3.44Å; N4-V6 VanDerWaalsContact OD1-CG2 3.25Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.33Å; N4-V6 PolarHBondContact OD1-N 3.39Å; N4-V6 VanDerWaalsContact OD1-N 3.15Å; V6-S10 WeakPolarHBondContact O-CB 3.44Å; V6-S10 PolarHBondContact O-N 3.23Å; V6-S10 VanDerWaalsContact O-N 3.08Å; V6-S10 PolarHBondContact O-OG 3.41Å; V6-N64 HydrophobicContact CG1-CB 4.45Å; V6-N64 HydrophobicContact CG2-CB 3.75Å |
| 7 | Y | 91 | Very high | 88.9 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.3 | -69.7 | -57.4 | 0 | 0 | 0 | 111.1 | N4 P5 S10 V11 F40 H44 | N4-Y7 HydrophobicContact CB-CD2 3.64Å; N4-Y7 HydrophobicContact CB-CE2 3.85Å; N4-Y7 PolarHBondContact O-N 2.89Å; P5-Y7 VanDerWaalsContact C-N 3.27Å; P5-Y7 PolarHBondContact O-N 3.32Å; Y7-S10 PolarHBondContact O-N 2.96Å; Y7-V11 VanDerWaalsContact O-CG2 3.3Å; Y7-V11 WeakPolarHBondContact O-CG2 3.19Å; Y7-V11 PolarHBondContact O-N 3.34Å; Y7-F40 AromaticContact CD1-CE2 3.62Å; Y7-F40 HydrophobicContact CD1-CE2 3.62Å; Y7-F40 AromaticContact CD1-CZ 3.54Å; Y7-F40 HydrophobicContact CD1-CZ 3.54Å; Y7-F40 AromaticContact CE1-CE2 3.94Å; Y7-F40 HydrophobicContact CE1-CE2 3.94Å; Y7-F40 AromaticContact CE1-CZ 3.52Å; Y7-F40 HydrophobicContact CE1-CZ 3.52Å; Y7-H44 AromaticContact CE1-CE1 3.62Å; Y7-H44 AromaticContact CE1-NE2 3.23Å; Y7-H44 WeakPolarHBondContact CE1-NE2 3.28Å; Y7-H44 AromaticContact CZ-NE2 3.45Å; Y7-H44 PolarHBondContact OH-NE2 3.28Å |
| 8 | V | 93.1 | Very high | 89.4 | Confident | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | V3 P5 S10 V11 V12 Y504 | V3-V8 HydrophobicContact CG1-CG2 3.65Å; P5-V8 PolarHBondContact O-N 3.1Å; P5-V8 VanDerWaalsContact O-N 3.15Å; V8-S10 VanDerWaalsContact C-N 3.26Å; V8-S10 PolarHBondContact O-N 2.77Å; V8-V11 PolarHBondContact O-N 3.26Å; V8-V11 VanDerWaalsContact O-N 3.08Å; V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.36Å; V8-V12 PolarHBondContact O-N 3.4Å; V8-Y504 HydrophobicContact CB-CD1 3.61Å; V8-Y504 HydrophobicContact CB-CD2 4.2Å; V8-Y504 HydrophobicContact CB-CE1 3.65Å; V8-Y504 HydrophobicContact CB-CE2 4.25Å; V8-Y504 HydrophobicContact CB-CG 3.89Å; V8-Y504 HydrophobicContact CG1-CD1 3.92Å; V8-Y504 HydrophobicContact CG1-CD2 3.6Å; V8-Y504 HydrophobicContact CG1-CE1 3.78Å; V8-Y504 HydrophobicContact CG1-CE2 3.47Å; V8-Y504 VanDerWaalsContact CG1-CE2 3.47Å; V8-Y504 HydrophobicContact CG1-CG 3.82Å; V8-Y504 HydrophobicContact CG2-CD1 4.18Å; V8-Y504 HydrophobicContact CG2-CE1 3.77Å |
| 9 | E | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.8 | -46.2 | 171.5 | 179.8 | 179.4 | -146.6 | 0 | 0 | 111.2 | P5 V11 V12 V13 N64 L501 T505 | P5-E9 PolarHBondContact O-N 3.32Å; E9-V11 VanDerWaalsContact C-N 3.35Å; E9-V11 PolarHBondContact O-N 3.45Å; E9-V12 PolarHBondContact O-N 2.97Å; E9-V13 WeakPolarHBondContact O-CG2 3.44Å; E9-V13 PolarHBondContact O-N 3.23Å; E9-N64 PolarHBondContact OE2-ND2 2.84Å; E9-L501 HydrophobicContact CG-CD1 4Å; E9-T505 WeakPolarHBondContact OE1-CA 2.95Å; E9-T505 WeakPolarHBondContact OE1-CB 3.3Å; E9-T505 PolarHBondContact OE1-OG1 2.74Å |
| 10 | S | 94.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 178.8 | -56 | 0 | 0 | 0 | 0 | 112.8 | V6 Y7 V8 L14 | V6-S10 WeakPolarHBondContact O-CB 3.44Å; V6-S10 PolarHBondContact O-N 3.23Å; V6-S10 VanDerWaalsContact O-N 3.08Å; V6-S10 PolarHBondContact O-OG 3.41Å; Y7-S10 PolarHBondContact O-N 2.96Å; V8-S10 VanDerWaalsContact C-N 3.26Å; V8-S10 PolarHBondContact O-N 2.77Å; S10-L14 WeakPolarHBondContact O-CB 3.48Å; S10-L14 PolarHBondContact O-N 3.35Å |
| 11 | V | 96.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.8 | -40.2 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | Y7 V8 E9 L14 A15 | Y7-V11 VanDerWaalsContact O-CG2 3.3Å; Y7-V11 WeakPolarHBondContact O-CG2 3.19Å; Y7-V11 PolarHBondContact O-N 3.34Å; V8-V11 PolarHBondContact O-N 3.26Å; V8-V11 VanDerWaalsContact O-N 3.08Å; E9-V11 VanDerWaalsContact C-N 3.35Å; E9-V11 PolarHBondContact O-N 3.45Å; V11-L14 PolarHBondContact O-N 3.31Å; V11-A15 PolarHBondContact O-N 3.13Å |
| 12 | V | 96.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | V8 E9 L14 A15 V16 L497 L500 L501 | V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.36Å; V8-V12 PolarHBondContact O-N 3.4Å; E9-V12 PolarHBondContact O-N 2.97Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.27Å; V12-A15 WeakPolarHBondContact O-CB 3.36Å; V12-A15 PolarHBondContact O-N 2.88Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.39Å; V12-V16 VanDerWaalsContact O-N 3.09Å; V12-L497 HydrophobicContact CG1-CD1 3.87Å; V12-L497 HydrophobicContact CG1-CG 4.27Å; V12-L500 HydrophobicContact CG2-CB 4.43Å; V12-L500 HydrophobicContact CG2-CD2 3.62Å; V12-L500 HydrophobicContact CG2-CG 3.69Å; V12-L501 HydrophobicContact CG1-CB 3.85Å; V12-L501 HydrophobicContact CG1-CD1 4.2Å |
| 13 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | E9 A15 V16 V17 V36 V68 P69 M72 L501 Y516 | E9-V13 WeakPolarHBondContact O-CG2 3.44Å; E9-V13 PolarHBondContact O-N 3.23Å; V13-A15 VanDerWaalsContact C-N 3.3Å; V13-A15 PolarHBondContact O-N 3.45Å; V13-V16 WeakPolarHBondContact O-CB 3.08Å; V13-V16 PolarHBondContact O-N 2.82Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 3.28Å; V13-V36 HydrophobicContact CG1-CG2 4.18Å; V13-V68 HydrophobicContact CB-CG1 4.07Å; V13-V68 HydrophobicContact CG1-CG1 3.92Å; V13-V68 HydrophobicContact CG2-CG1 4.45Å; V13-P69 HydrophobicContact CG2-CB 3.94Å; V13-M72 HydrophobicContact CG1-CB 4.25Å; V13-M72 HydrophobicContact CG1-CG 3.97Å; V13-L501 HydrophobicContact CG2-CD1 4.03Å; V13-Y516 HydrophobicContact CG1-CE1 4.34Å; V13-Y516 WeakPolarHBondContact CG1-OH 3.49Å; V13-Y516 HydrophobicContact CG2-CE1 4.4Å |
| 14 | L | 97.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -40 | 174.6 | 177.9 | 63.3 | 0 | 0 | 0 | 111.6 | S10 V11 V12 V16 V17 L18 V36 | S10-L14 WeakPolarHBondContact O-CB 3.48Å; S10-L14 PolarHBondContact O-N 3.35Å; V11-L14 PolarHBondContact O-N 3.31Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.27Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.4Å; L14-V17 WeakPolarHBondContact O-CB 3.46Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-L18 HydrophobicContact CD1-CG 4.31Å; L14-L18 HydrophobicContact CG-CD1 4.18Å; L14-L18 HydrophobicContact CG-CG 4.42Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.17Å; L14-L18 PolarHBondContact O-N 2.91Å; L14-V36 HydrophobicContact CD1-CG1 3.62Å |
| 15 | A | 98.1 | Very high | 95.1 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -41 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V11 V12 V13 L18 C19 L497 | V11-A15 PolarHBondContact O-N 3.13Å; V12-A15 WeakPolarHBondContact O-CB 3.36Å; V12-A15 PolarHBondContact O-N 2.88Å; V13-A15 VanDerWaalsContact C-N 3.3Å; V13-A15 PolarHBondContact O-N 3.45Å; A15-L18 PolarHBondContact O-N 3.48Å; A15-C19 PolarHBondContact O-N 3.34Å; A15-C19 PolarHBondContact O-SG 3.03Å; A15-L497 HydrophobicContact CB-CD1 4.06Å |
| 16 | V | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 172.1 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | V12 V13 L14 L18 C19 V20 L76 L497 Y516 L520 | V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.39Å; V12-V16 VanDerWaalsContact O-N 3.09Å; V13-V16 WeakPolarHBondContact O-CB 3.08Å; V13-V16 PolarHBondContact O-N 2.82Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.4Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 2.7Å; V16-C19 WeakPolarHBondContact O-CB 3.5Å; V16-C19 PolarHBondContact O-N 2.67Å; V16-V20 PolarHBondContact O-N 3.36Å; V16-L76 HydrophobicContact CG1-CD1 4.01Å; V16-L497 HydrophobicContact CB-CD2 4.28Å; V16-L497 HydrophobicContact CG2-CD2 3.4Å; V16-L497 HydrophobicContact CG2-CG 3.89Å; V16-Y516 HydrophobicContact CB-CD1 4.17Å; V16-Y516 HydrophobicContact CB-CE1 4.13Å; V16-Y516 HydrophobicContact CG1-CD1 3.79Å; V16-Y516 HydrophobicContact CG1-CE1 3.95Å; V16-Y516 HydrophobicContact CG2-CD1 3.79Å; V16-Y516 HydrophobicContact CG2-CE1 4.07Å; V16-L520 HydrophobicContact CG1-CD2 3.99Å; V16-L520 HydrophobicContact CG1-CG 4.25Å; V16-L520 HydrophobicContact CG2-CD1 4.35Å |
| 17 | V | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V13 L14 V20 H21 I33 V36 M72 L76 | V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 3.28Å; L14-V17 WeakPolarHBondContact O-CB 3.46Å; L14-V17 PolarHBondContact O-N 3.25Å; V17-V20 PolarHBondContact O-N 3.38Å; V17-H21 VanDerWaalsContact O-CB 3.32Å; V17-H21 WeakPolarHBondContact O-CB 3.4Å; V17-H21 PolarHBondContact O-N 3.32Å; V17-I33 HydrophobicContact CG1-CG1 3.99Å; V17-V36 HydrophobicContact CB-CG1 4.45Å; V17-V36 HydrophobicContact CG1-CG1 4.16Å; V17-V36 HydrophobicContact CG2-CB 4.18Å; V17-V36 HydrophobicContact CG2-CG1 4.27Å; V17-V36 HydrophobicContact CG2-CG2 4.29Å; V17-M72 HydrophobicContact CG2-CB 4.41Å; V17-M72 HydrophobicContact CG2-CE 4.12Å; V17-M72 HydrophobicContact CG2-CG 3.99Å; V17-L76 HydrophobicContact CG2-CD1 3.93Å; V17-L76 HydrophobicContact CG2-CD2 4.32Å |
| 18 | L | 98 | Very high | 95.8 | Very high | 76 Ų | 76 | 41 Ų | 41 | 40% | 0.398 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 177 | -69.6 | 173.5 | 0 | 0 | 0 | 111.9 | L14 A15 V16 V20 H21 M22 I33 | L14-L18 HydrophobicContact CD1-CG 4.31Å; L14-L18 HydrophobicContact CG-CD1 4.18Å; L14-L18 HydrophobicContact CG-CG 4.42Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.17Å; L14-L18 PolarHBondContact O-N 2.91Å; A15-L18 PolarHBondContact O-N 3.48Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 2.7Å; L18-V20 PolarHBondContact O-N 3.22Å; L18-H21 PolarHBondContact O-N 3.2Å; L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 3.22Å; L18-I33 HydrophobicContact CD2-CD1 4.27Å |
| 19 | C | 97 | Very high | 95.9 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 28% | 0.284 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 172.7 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | A15 V16 M22 A23 W490 L520 | A15-C19 PolarHBondContact O-N 3.34Å; A15-C19 PolarHBondContact O-SG 3.03Å; V16-C19 WeakPolarHBondContact O-CB 3.5Å; V16-C19 PolarHBondContact O-N 2.67Å; C19-M22 PolarHBondContact O-N 3.46Å; C19-A23 PolarHBondContact O-N 3.08Å; C19-W490 HydrophobicContact CB-CH2 3.98Å; C19-L520 HydrophobicContact CB-CD2 4.34Å |
| 20 | V | 96.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | V16 V17 L18 A23 I24 L76 V80 I519 L523 | V16-V20 PolarHBondContact O-N 3.36Å; V17-V20 PolarHBondContact O-N 3.38Å; L18-V20 PolarHBondContact O-N 3.22Å; V20-A23 PolarHBondContact O-N 3.2Å; V20-I24 HydrophobicContact CG1-CD1 3.83Å; V20-I24 PolarHBondContact O-N 3.29Å; V20-L76 HydrophobicContact CB-CD2 4.05Å; V20-L76 HydrophobicContact CG1-CD2 4.01Å; V20-L76 HydrophobicContact CG2-CD2 4.21Å; V20-V80 HydrophobicContact CG1-CG2 4.07Å; V20-V80 HydrophobicContact CG2-CG2 4.27Å; V20-I519 HydrophobicContact CG2-CG2 4.06Å; V20-L523 HydrophobicContact CG1-CD1 4.31Å; V20-L523 HydrophobicContact CG2-CD1 4.39Å; V20-L523 HydrophobicContact CG2-CD2 4.5Å |
| 21 | H | 97.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 178.7 | 175.5 | 62.6 | 0 | 0 | 0 | 112.8 | V17 L18 A23 W25 S29 W30 I33 | V17-H21 VanDerWaalsContact O-CB 3.32Å; V17-H21 WeakPolarHBondContact O-CB 3.4Å; V17-H21 PolarHBondContact O-N 3.32Å; L18-H21 PolarHBondContact O-N 3.2Å; H21-A23 VanDerWaalsContact C-N 3.25Å; H21-A23 PolarHBondContact O-N 3.21Å; H21-W25 AromaticContact CE1-CE3 3.83Å; H21-W25 AromaticContact NE2-CE3 3.55Å; H21-W25 AromaticContact NE2-CZ3 3.37Å; H21-W25 WeakPolarHBondContact NE2-CZ3 3.44Å; H21-W25 WeakPolarHBondContact O-CA 3.43Å; H21-W25 PolarHBondContact O-N 3.21Å; H21-S29 WeakPolarHBondContact ND1-CB 3.35Å; H21-S29 PolarHBondContact ND1-OG 3.27Å; H21-W30 AromaticContact CE1-CD1 3.84Å; H21-W30 AromaticContact CE1-CD2 3.67Å; H21-W30 AromaticContact CE1-CE2 3.41Å; H21-W30 VanDerWaalsContact CE1-CE2 3.41Å; H21-W30 AromaticContact CE1-CG 3.95Å; H21-W30 AromaticContact CE1-CZ2 3.81Å; H21-W30 AromaticContact CE1-NE1 3.52Å; H21-W30 AromaticContact NE2-CE2 3.77Å; H21-W30 AromaticContact NE2-CH2 3.98Å; H21-W30 AromaticContact NE2-CZ2 3.67Å; H21-I33 HydrophobicContact CB-CD1 4.08Å; H21-I33 VanDerWaalsContact CD2-CD1 3.48Å; H21-I33 WeakPolarHBondContact CD2-CD1 3.22Å |
| 22 | M | 96.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 41.2 Ų | 41.2 | 68% | 0.68 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.7 | -29.5 | 179.3 | -69.5 | -61.5 | -70.4 | 0 | 0 | 112.5 | L18 C19 W25 | L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 3.22Å; C19-M22 PolarHBondContact O-N 3.46Å; M22-W25 HydrophobicContact SD-CZ3 4.37Å |
| 23 | A | 93.4 | Very high | 96.3 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 53% | 0.529 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.2 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C19 V20 H21 L523 | C19-A23 PolarHBondContact O-N 3.08Å; V20-A23 PolarHBondContact O-N 3.2Å; H21-A23 VanDerWaalsContact C-N 3.25Å; H21-A23 PolarHBondContact O-N 3.21Å; A23-L523 HydrophobicContact CB-CD1 3.79Å; A23-L523 HydrophobicContact CB-CD2 3.5Å; A23-L523 HydrophobicContact CB-CG 3.7Å |
| 24 | I | 93.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -97.5 | -28.3 | -172.2 | -60.7 | 177.3 | 0 | 0 | 0 | 112.6 | V20 N26 L79 V80 L523 | V20-I24 HydrophobicContact CG1-CD1 3.83Å; V20-I24 PolarHBondContact O-N 3.29Å; I24-N26 HydrophobicContact CG2-CB 4.48Å; I24-N26 WeakPolarHBondContact CG2-ND2 3.38Å; I24-N26 PolarHBondContact O-N 3.39Å; I24-L79 HydrophobicContact CD1-CB 3.94Å; I24-V80 HydrophobicContact CD1-CG2 4.17Å; I24-L523 HydrophobicContact CD1-CD1 3.98Å; I24-L523 HydrophobicContact CG1-CD1 4.05Å |
| 25 | W | 94 | Very high | 96.2 | Very high | 158 Ų | 158 | 40.7 Ų | 40.7 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | trans | 35.4 | 67.9 | 177.3 | -165.7 | -89.7 | 0 | 0 | 0 | 115.3 | H21 M22 W30 | H21-W25 AromaticContact CE1-CE3 3.83Å; H21-W25 AromaticContact NE2-CE3 3.55Å; H21-W25 AromaticContact NE2-CZ3 3.37Å; H21-W25 WeakPolarHBondContact NE2-CZ3 3.44Å; H21-W25 WeakPolarHBondContact O-CA 3.43Å; H21-W25 PolarHBondContact O-N 3.21Å; M22-W25 HydrophobicContact SD-CZ3 4.37Å; W25-W30 AromaticContact CH2-CZ2 3.94Å; W25-W30 HydrophobicContact CH2-CZ2 3.94Å; W25-W30 HydrophobicContact CZ2-CZ2 4.17Å; W25-W30 HydrophobicContact CZ3-CZ2 4.46Å | ||
| 26 | N | 93.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -138.6 | 174.4 | 177.8 | 72.5 | 20.1 | 0 | 0 | 0 | 113.3 | I24 H28 S29 W30 | I24-N26 HydrophobicContact CG2-CB 4.48Å; I24-N26 WeakPolarHBondContact CG2-ND2 3.38Å; I24-N26 PolarHBondContact O-N 3.39Å; N26-H28 PolarHBondContact O-N 3.35Å; N26-H28 PolarHBondContact OD1-N 3.32Å; N26-H28 VanDerWaalsContact OD1-N 3.11Å; N26-S29 PolarHBondContact N-OG 3.41Å; N26-S29 PolarHBondContact O-N 2.76Å; N26-S29 VanDerWaalsContact O-N 3.11Å; N26-S29 PolarHBondContact O-OG 2.95Å; N26-S29 PolarHBondContact OD1-N 3.41Å; N26-W30 PolarHBondContact O-N 2.86Å; N26-W30 VanDerWaalsContact O-N 3.15Å |
| 27 | Q | 93.8 | Very high | 96.1 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.9 | -34.5 | -177.4 | -155.6 | -173.3 | -12.1 | 0 | 0 | 113 | W30 C31 T140 | Q27-W30 WeakPolarHBondContact O-CB 3.3Å; Q27-W30 PolarHBondContact O-N 3.17Å; Q27-C31 PolarHBondContact O-N 3.46Å; Q27-T140 HydrophobicContact CB-CG2 4Å; Q27-T140 HydrophobicContact CG-CG2 3.34Å |
| 28 | H | 94.6 | Very high | 96 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.9 | -31.5 | 178.9 | -54.6 | -66.4 | 0 | 0 | 0 | 113 | N26 W30 C31 S32 L79 R82 M98 M105 T144 | N26-H28 PolarHBondContact O-N 3.35Å; N26-H28 PolarHBondContact OD1-N 3.32Å; N26-H28 VanDerWaalsContact OD1-N 3.11Å; H28-W30 VanDerWaalsContact C-N 3.32Å; H28-C31 WeakPolarHBondContact O-CB 3.43Å; H28-C31 PolarHBondContact O-N 2.85Å; H28-S32 PolarHBondContact O-N 3.07Å; H28-S32 PolarHBondContact O-OG 2.93Å; H28-L79 HydrophobicContact CB-CD2 3.51Å; H28-R82 PolarHBondContact CD2-NH1 2.71Å; H28-M98 VanDerWaalsContact CD2-CE 3.49Å; H28-M98 WeakPolarHBondContact CD2-CE 3.33Å; H28-M98 WeakPolarHBondContact CE1-CE 3.42Å; H28-M98 WeakPolarHBondContact NE2-CE 3.26Å; H28-M105 HydrophobicContact CB-CE 4.44Å; H28-M105 WeakPolarHBondContact O-CE 3.41Å; H28-T144 VanDerWaalsContact CE1-CG2 3.41Å; H28-T144 WeakPolarHBondContact CE1-CG2 3.36Å; H28-T144 PolarHBondContact CE1-OG1 3.38Å; H28-T144 WeakPolarHBondContact NE2-CG2 3.47Å |
| 29 | S | 95.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -36.3 | 171.8 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | H21 N26 S32 I33 | H21-S29 WeakPolarHBondContact ND1-CB 3.35Å; H21-S29 PolarHBondContact ND1-OG 3.27Å; N26-S29 PolarHBondContact N-OG 3.41Å; N26-S29 PolarHBondContact O-N 2.76Å; N26-S29 VanDerWaalsContact O-N 3.11Å; N26-S29 PolarHBondContact O-OG 2.95Å; N26-S29 PolarHBondContact OD1-N 3.41Å; S29-S32 WeakPolarHBondContact O-CB 3.43Å; S29-S32 PolarHBondContact O-N 3.36Å; S29-S32 VanDerWaalsContact O-N 3.15Å; S29-I33 PolarHBondContact O-N 3.11Å; S29-I33 VanDerWaalsContact O-N 3.11Å |
| 30 | W | 96.8 | Very high | 95.8 | Very high | 132 Ų | 132 | 40 Ų | 40 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 169.1 | -79.3 | 108.4 | 0 | 0 | 0 | 112.4 | H21 W25 N26 Q27 H28 S32 I33 A34 | H21-W30 AromaticContact CE1-CD1 3.84Å; H21-W30 AromaticContact CE1-CD2 3.67Å; H21-W30 AromaticContact CE1-CE2 3.41Å; H21-W30 VanDerWaalsContact CE1-CE2 3.41Å; H21-W30 AromaticContact CE1-CG 3.95Å; H21-W30 AromaticContact CE1-CZ2 3.81Å; H21-W30 AromaticContact CE1-NE1 3.52Å; H21-W30 AromaticContact NE2-CE2 3.77Å; H21-W30 AromaticContact NE2-CH2 3.98Å; H21-W30 AromaticContact NE2-CZ2 3.67Å; W25-W30 AromaticContact CH2-CZ2 3.94Å; W25-W30 HydrophobicContact CH2-CZ2 3.94Å; W25-W30 HydrophobicContact CZ2-CZ2 4.17Å; W25-W30 HydrophobicContact CZ3-CZ2 4.46Å; N26-W30 PolarHBondContact O-N 2.86Å; N26-W30 VanDerWaalsContact O-N 3.15Å; Q27-W30 WeakPolarHBondContact O-CB 3.3Å; Q27-W30 PolarHBondContact O-N 3.17Å; H28-W30 VanDerWaalsContact C-N 3.32Å; W30-S32 PolarHBondContact O-N 2.95Å; W30-I33 HydrophobicContact CE3-CD1 4Å; W30-I33 HydrophobicContact CZ3-CD1 4.16Å; W30-I33 WeakPolarHBondContact O-CB 3.48Å; W30-I33 PolarHBondContact O-N 2.99Å; W30-A34 PolarHBondContact O-N 3.43Å |
| 31 | C | 96.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -33 | 171.5 | -77 | 0 | 0 | 0 | 0 | 112.6 | Q27 H28 A34 L35 M105 I137 T140 | Q27-C31 PolarHBondContact O-N 3.46Å; H28-C31 WeakPolarHBondContact O-CB 3.43Å; H28-C31 PolarHBondContact O-N 2.85Å; C31-A34 PolarHBondContact O-N 3.19Å; C31-L35 VanDerWaalsContact O-CB 3.29Å; C31-L35 WeakPolarHBondContact O-CB 3.38Å; C31-L35 PolarHBondContact O-N 2.89Å; C31-M105 HydrophobicContact CB-CE 3.9Å; C31-M105 HydrophobicContact CB-SD 3.96Å; C31-I137 HydrophobicContact CB-CG1 3.89Å; C31-T140 WeakPolarHBondContact SG-CG2 3.3Å; C31-T140 PolarHBondContact SG-OG1 3.42Å |
| 32 | S | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 175 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | H28 S29 W30 L35 V36 L79 M105 | H28-S32 PolarHBondContact O-N 3.07Å; H28-S32 PolarHBondContact O-OG 2.93Å; S29-S32 WeakPolarHBondContact O-CB 3.43Å; S29-S32 PolarHBondContact O-N 3.36Å; S29-S32 VanDerWaalsContact O-N 3.15Å; W30-S32 PolarHBondContact O-N 2.95Å; S32-L35 PolarHBondContact O-N 3.09Å; S32-V36 PolarHBondContact O-N 3.47Å; S32-L79 WeakPolarHBondContact OG-CD1 3.34Å; S32-M105 WeakPolarHBondContact OG-CE 3.25Å |
| 33 | I | 97.8 | Very high | 95.2 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 170.9 | -66.4 | 171.6 | 0 | 0 | 0 | 110.6 | V17 L18 H21 S29 W30 L35 V36 I37 | V17-I33 HydrophobicContact CG1-CG1 3.99Å; L18-I33 HydrophobicContact CD2-CD1 4.27Å; H21-I33 HydrophobicContact CB-CD1 4.08Å; H21-I33 VanDerWaalsContact CD2-CD1 3.48Å; H21-I33 WeakPolarHBondContact CD2-CD1 3.22Å; S29-I33 PolarHBondContact O-N 3.11Å; S29-I33 VanDerWaalsContact O-N 3.11Å; W30-I33 HydrophobicContact CE3-CD1 4Å; W30-I33 HydrophobicContact CZ3-CD1 4.16Å; W30-I33 WeakPolarHBondContact O-CB 3.48Å; W30-I33 PolarHBondContact O-N 2.99Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 2.95Å; I33-V36 VanDerWaalsContact O-CG1 3.27Å; I33-V36 WeakPolarHBondContact O-CG1 3.35Å; I33-V36 PolarHBondContact O-N 3.02Å; I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.47Å; I33-I37 PolarHBondContact O-N 3.12Å |
| 34 | A | 97.1 | Very high | 95 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | W30 C31 Q38 A133 | W30-A34 PolarHBondContact O-N 3.43Å; C31-A34 PolarHBondContact O-N 3.19Å; A34-Q38 VanDerWaalsContact O-CB 3.27Å; A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 3.47Å; A34-A133 HydrophobicContact CB-CB 4.12Å |
| 35 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 179 | -174.7 | 65.1 | 0 | 0 | 0 | 112.3 | C31 S32 I33 I37 Q38 A39 M72 P75 M105 A108 L109 I137 | C31-L35 VanDerWaalsContact O-CB 3.29Å; C31-L35 WeakPolarHBondContact O-CB 3.38Å; C31-L35 PolarHBondContact O-N 2.89Å; S32-L35 PolarHBondContact O-N 3.09Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 2.95Å; L35-I37 VanDerWaalsContact C-N 3.32Å; L35-I37 PolarHBondContact O-N 2.63Å; L35-Q38 PolarHBondContact O-N 3.43Å; L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.47Å; L35-M72 HydrophobicContact CB-SD 4.22Å; L35-M72 HydrophobicContact CD2-CE 4.16Å; L35-M72 HydrophobicContact CD2-SD 3.88Å; L35-M72 HydrophobicContact CG-SD 3.97Å; L35-P75 HydrophobicContact CD2-CG 3.93Å; L35-M105 HydrophobicContact CD2-CB 4.31Å; L35-M105 HydrophobicContact CD2-CG 4.01Å; L35-A108 HydrophobicContact CD1-CB 3.95Å; L35-A108 HydrophobicContact CD2-CB 4.18Å; L35-A108 HydrophobicContact CG-CB 4.5Å; L35-L109 HydrophobicContact CD1-CD2 4.23Å; L35-L109 HydrophobicContact CD1-CG 4.31Å; L35-I137 HydrophobicContact CB-CD1 4.38Å; L35-I137 HydrophobicContact CD1-CD1 4.18Å |
| 36 | V | 97.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -37.7 | -179.9 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | V13 L14 V17 S32 I33 A39 F40 V68 M72 | V13-V36 HydrophobicContact CG1-CG2 4.18Å; L14-V36 HydrophobicContact CD1-CG1 3.62Å; V17-V36 HydrophobicContact CB-CG1 4.45Å; V17-V36 HydrophobicContact CG1-CG1 4.16Å; V17-V36 HydrophobicContact CG2-CB 4.18Å; V17-V36 HydrophobicContact CG2-CG1 4.27Å; V17-V36 HydrophobicContact CG2-CG2 4.29Å; S32-V36 PolarHBondContact O-N 3.47Å; I33-V36 VanDerWaalsContact O-CG1 3.27Å; I33-V36 WeakPolarHBondContact O-CG1 3.35Å; I33-V36 PolarHBondContact O-N 3.02Å; V36-A39 PolarHBondContact O-N 2.6Å; V36-F40 WeakPolarHBondContact O-CB 3.37Å; V36-F40 PolarHBondContact O-N 3.36Å; V36-V68 HydrophobicContact CG2-CG1 4.09Å; V36-M72 HydrophobicContact CB-CG 4.11Å; V36-M72 HydrophobicContact CB-SD 3.81Å; V36-M72 HydrophobicContact CG2-CG 4.09Å; V36-M72 HydrophobicContact CG2-SD 4.43Å |
| 37 | I | 96.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 29.5 Ų | 29.5 | 40% | 0.4 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 173.5 | -65.8 | 167.9 | 0 | 0 | 0 | 109.7 | I33 L35 A39 F40 Y41 I129 | I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.47Å; I33-I37 PolarHBondContact O-N 3.12Å; L35-I37 VanDerWaalsContact C-N 3.32Å; L35-I37 PolarHBondContact O-N 2.63Å; I37-A39 PolarHBondContact O-N 2.74Å; I37-F40 WeakPolarHBondContact O-CB 2.95Å; I37-F40 PolarHBondContact O-N 3.04Å; I37-Y41 HydrophobicContact CG2-CD2 4.38Å; I37-Y41 HydrophobicContact CG2-CE2 4.2Å; I37-Y41 WeakPolarHBondContact O-CD2 3.29Å; I37-Y41 PolarHBondContact O-N 2.92Å; I37-I129 HydrophobicContact CG2-CG2 4.25Å |
| 38 | Q | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 178.2 | 178.7 | -81.2 | -70.5 | 0 | 0 | 112 | A34 L35 F40 Y41 V42 S112 I129 A130 A133 | A34-Q38 VanDerWaalsContact O-CB 3.27Å; A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 3.47Å; L35-Q38 PolarHBondContact O-N 3.43Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 3.48Å; Q38-Y41 PolarHBondContact O-N 2.86Å; Q38-V42 PolarHBondContact O-N 3.22Å; Q38-V42 VanDerWaalsContact O-N 3.12Å; Q38-S112 PolarHBondContact NE2-OG 3.47Å; Q38-S112 PolarHBondContact OE1-OG 3.2Å; Q38-I129 HydrophobicContact CB-CG2 4.16Å; Q38-A130 HydrophobicContact CG-CB 3.97Å; Q38-A133 HydrophobicContact CB-CB 3.83Å; Q38-A133 HydrophobicContact CG-CB 4.04Å |
| 39 | A | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L35 V36 I37 Y41 V42 Q43 I67 V68 S71 | L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 2.6Å; I37-A39 PolarHBondContact O-N 2.74Å; A39-Y41 PolarHBondContact O-N 3.36Å; A39-V42 PolarHBondContact O-N 3.23Å; A39-Q43 WeakPolarHBondContact O-CB 3.33Å; A39-Q43 PolarHBondContact O-N 3.36Å; A39-I67 HydrophobicContact CB-CG2 4.44Å; A39-V68 HydrophobicContact CB-CG2 4.17Å; A39-S71 WeakPolarHBondContact CB-OG 3.45Å |
| 40 | F | 95.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 176.6 | 174.2 | -101.5 | 0 | 0 | 0 | 112.8 | Y7 V36 I37 Q38 V42 H44 V68 | Y7-F40 AromaticContact CD1-CE2 3.62Å; Y7-F40 HydrophobicContact CD1-CE2 3.62Å; Y7-F40 AromaticContact CD1-CZ 3.54Å; Y7-F40 HydrophobicContact CD1-CZ 3.54Å; Y7-F40 AromaticContact CE1-CE2 3.94Å; Y7-F40 HydrophobicContact CE1-CE2 3.94Å; Y7-F40 AromaticContact CE1-CZ 3.52Å; Y7-F40 HydrophobicContact CE1-CZ 3.52Å; V36-F40 WeakPolarHBondContact O-CB 3.37Å; V36-F40 PolarHBondContact O-N 3.36Å; I37-F40 WeakPolarHBondContact O-CB 2.95Å; I37-F40 PolarHBondContact O-N 3.04Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 3.48Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 2.81Å; F40-H44 AromaticContact CE2-CE1 3.66Å; F40-H44 AromaticContact CZ-CE1 3.73Å; F40-H44 PolarHBondContact O-ND1 3.33Å; F40-V68 VanDerWaalsContact CA-CG2 3.47Å; F40-V68 HydrophobicContact CB-CG2 4.17Å |
| 41 | Y | 92.9 | Very high | 92.8 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.8 | -35.1 | 177 | -78.7 | -91.4 | 0 | 0 | 0 | 112.3 | I37 Q38 A39 I129 | I37-Y41 HydrophobicContact CG2-CD2 4.38Å; I37-Y41 HydrophobicContact CG2-CE2 4.2Å; I37-Y41 WeakPolarHBondContact O-CD2 3.29Å; I37-Y41 PolarHBondContact O-N 2.92Å; Q38-Y41 PolarHBondContact O-N 2.86Å; A39-Y41 PolarHBondContact O-N 3.36Å; Y41-I129 HydrophobicContact CD1-CD1 4.06Å; Y41-I129 HydrophobicContact CD2-CD1 3.58Å; Y41-I129 HydrophobicContact CD2-CG2 4.45Å; Y41-I129 HydrophobicContact CE1-CD1 3.92Å; Y41-I129 HydrophobicContact CE2-CD1 3.45Å; Y41-I129 VanDerWaalsContact CE2-CD1 3.45Å; Y41-I129 HydrophobicContact CG-CD1 3.9Å |
| 42 | V | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74 | -36.4 | -179.3 | 160 | 0 | 0 | 0 | 0 | 112.7 | Q38 A39 F40 H44 K45 W46 A115 T126 | Q38-V42 PolarHBondContact O-N 3.22Å; Q38-V42 VanDerWaalsContact O-N 3.12Å; A39-V42 PolarHBondContact O-N 3.23Å; F40-V42 VanDerWaalsContact C-N 3.33Å; F40-V42 PolarHBondContact O-N 2.81Å; V42-H44 VanDerWaalsContact C-N 3.25Å; V42-H44 PolarHBondContact O-N 3.33Å; V42-K45 WeakPolarHBondContact O-CA 3.4Å; V42-K45 WeakPolarHBondContact O-CB 3.47Å; V42-K45 PolarHBondContact O-N 3.08Å; V42-W46 PolarHBondContact O-N 3.19Å; V42-A115 HydrophobicContact CG1-CB 4.12Å; V42-T126 HydrophobicContact CG2-CG2 3.67Å |
| 43 | Q | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.9 | -44.9 | 175.3 | 174.2 | 157.8 | -62.2 | 0 | 0 | 111.6 | A39 K45 W46 D47 I67 V68 | A39-Q43 WeakPolarHBondContact O-CB 3.33Å; A39-Q43 PolarHBondContact O-N 3.36Å; Q43-K45 PolarHBondContact O-N 2.83Å; Q43-W46 PolarHBondContact O-N 2.93Å; Q43-D47 PolarHBondContact O-N 3.16Å; Q43-I67 HydrophobicContact CB-CB 4.35Å; Q43-I67 VanDerWaalsContact OE1-N 3.1Å; Q43-V68 HydrophobicContact CB-CG2 4.02Å; Q43-V68 HydrophobicContact CG-CG2 4.48Å |
| 44 | H | 89.3 | Confident | 90.5 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -27 | 177.5 | -71.2 | 77.7 | 0 | 0 | 0 | 113.6 | Y7 F40 V42 R48 | Y7-H44 AromaticContact CE1-CE1 3.62Å; Y7-H44 AromaticContact CE1-NE2 3.23Å; Y7-H44 WeakPolarHBondContact CE1-NE2 3.28Å; Y7-H44 AromaticContact CZ-NE2 3.45Å; Y7-H44 PolarHBondContact OH-NE2 3.28Å; F40-H44 AromaticContact CE2-CE1 3.66Å; F40-H44 AromaticContact CZ-CE1 3.73Å; F40-H44 PolarHBondContact O-ND1 3.33Å; V42-H44 VanDerWaalsContact C-N 3.25Å; V42-H44 PolarHBondContact O-N 3.33Å; H44-R48 WeakPolarHBondContact O-CG 3.5Å; H44-R48 PolarHBondContact O-N 3.04Å |
| 45 | K | 89.8 | Confident | 89.7 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.1 | -44.3 | 176 | -57.6 | -57 | -179.3 | 174.5 | 0 | 110.5 | V42 Q43 D47 R48 L49 T119 P123 T126 | V42-K45 WeakPolarHBondContact O-CA 3.4Å; V42-K45 WeakPolarHBondContact O-CB 3.47Å; V42-K45 PolarHBondContact O-N 3.08Å; Q43-K45 PolarHBondContact O-N 2.83Å; K45-D47 PolarHBondContact O-N 3.12Å; K45-R48 PolarHBondContact O-N 2.82Å; K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 2.9Å; K45-T119 HydrophobicContact CD-CG2 4.46Å; K45-P123 HydrophobicContact CD-CB 4.33Å; K45-P123 HydrophobicContact CD-CG 4.5Å; K45-T126 WeakPolarHBondContact CE-OG1 3.33Å |
| 46 | W | 89 | Confident | 89 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 172.6 | -89.1 | 102.4 | 0 | 0 | 0 | 112.5 | V42 Q43 R48 L49 L50 F59 I67 L111 I114 A115 P177 | V42-W46 PolarHBondContact O-N 3.19Å; Q43-W46 PolarHBondContact O-N 2.93Å; W46-R48 PolarHBondContact O-N 3.33Å; W46-L49 PolarHBondContact O-N 3.08Å; W46-L49 VanDerWaalsContact O-N 3.1Å; W46-L50 WeakPolarHBondContact O-CB 3.44Å; W46-L50 VanDerWaalsContact O-CG 3.29Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 3.3Å; W46-F59 HydrophobicContact CH2-CE2 4.23Å; W46-F59 HydrophobicContact CH2-CZ 4.46Å; W46-F59 HydrophobicContact CZ3-CD2 4.39Å; W46-F59 AromaticContact CZ3-CE2 3.83Å; W46-F59 HydrophobicContact CZ3-CE2 3.83Å; W46-F59 HydrophobicContact CZ3-CZ 4.38Å; W46-I67 HydrophobicContact CB-CD1 3.58Å; W46-I67 HydrophobicContact CD2-CD1 3.83Å; W46-I67 HydrophobicContact CG-CD1 3.16Å; W46-L111 HydrophobicContact CH2-CD1 4.44Å; W46-L111 HydrophobicContact CZ2-CD1 3.83Å; W46-L111 HydrophobicContact CZ2-CG 3.97Å; W46-L111 PolarHBondContact NE1-O 3.16Å; W46-I114 HydrophobicContact CH2-CG2 4.42Å; W46-I114 HydrophobicContact CZ2-CG2 4.24Å; W46-A115 HydrophobicContact CD2-CB 4.25Å; W46-A115 HydrophobicContact CG-CB 4.1Å; W46-A115 HydrophobicContact CZ2-CB 4.32Å; W46-P177 HydrophobicContact CD2-CB 4.42Å; W46-P177 HydrophobicContact CD2-CG 4.35Å; W46-P177 HydrophobicContact CE3-CB 4.24Å; W46-P177 HydrophobicContact CE3-CG 3.77Å; W46-P177 HydrophobicContact CZ3-CB 4.39Å; W46-P177 HydrophobicContact CZ3-CG 3.98Å |
| 47 | D | 88.8 | Confident | 88.4 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -34.6 | 179.1 | -65.2 | -8.7 | 0 | 0 | 0 | 112 | Q43 K45 K51 S65 | Q43-D47 PolarHBondContact O-N 3.16Å; K45-D47 PolarHBondContact O-N 3.12Å; D47-K51 WeakPolarHBondContact O-CB 3.44Å; D47-K51 WeakPolarHBondContact O-CD 3.41Å; D47-K51 WeakPolarHBondContact O-CG 3.48Å; D47-K51 PolarHBondContact O-N 3.41Å; D47-S65 WeakPolarHBondContact OD1-CB 3.39Å; D47-S65 PolarHBondContact OD1-N 2.96Å; D47-S65 PolarHBondContact OD1-OG 2.97Å |
| 48 | R | 87.4 | Confident | 88.1 | Confident | 159 Ų | 159 | 54.1 Ų | 54.1 | 60% | 0.6 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -72.2 | -44.1 | 173.9 | -69.2 | 177.5 | -154 | -167.8 | 0.8 | 112.1 | H44 K45 W46 L50 K51 S52 | H44-R48 WeakPolarHBondContact O-CG 3.5Å; H44-R48 PolarHBondContact O-N 3.04Å; K45-R48 PolarHBondContact O-N 2.82Å; W46-R48 PolarHBondContact O-N 3.33Å; R48-L50 VanDerWaalsContact C-N 3.31Å; R48-L50 PolarHBondContact O-N 2.98Å; R48-K51 PolarHBondContact O-N 3.23Å; R48-S52 PolarHBondContact O-N 3.37Å; R48-S52 PolarHBondContact O-OG 3.09Å |
| 49 | L | 86.6 | Confident | 87.9 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 177.7 | -74.4 | 173.4 | 0 | 0 | 0 | 112 | K45 W46 S52 G53 A54 A115 V118 | K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 2.9Å; W46-L49 PolarHBondContact O-N 3.08Å; W46-L49 VanDerWaalsContact O-N 3.1Å; L49-S52 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-OG 2.99Å; L49-S52 VanDerWaalsContact O-OG 3.06Å; L49-G53 PolarHBondContact O-N 2.66Å; L49-A54 HydrophobicContact CD2-CB 4.39Å; L49-A54 PolarHBondContact O-N 2.93Å; L49-A54 VanDerWaalsContact O-N 3.17Å; L49-A115 HydrophobicContact CD1-CB 4.43Å; L49-V118 HydrophobicContact CD2-CG1 4.1Å |
| 50 | L | 87.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | -68.7 | 176.5 | 0 | 0 | 0 | 111.1 | W46 R48 S52 G53 A55 F59 P177 | W46-L50 WeakPolarHBondContact O-CB 3.44Å; W46-L50 VanDerWaalsContact O-CG 3.29Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 3.3Å; R48-L50 VanDerWaalsContact C-N 3.31Å; R48-L50 PolarHBondContact O-N 2.98Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.36Å; L50-G53 PolarHBondContact O-N 3.43Å; L50-A55 HydrophobicContact CD2-CB 4.22Å; L50-F59 HydrophobicContact CD2-CB 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.77Å; L50-F59 HydrophobicContact CD2-CG 4.09Å; L50-P177 HydrophobicContact CD1-CG 4.03Å; L50-P177 HydrophobicContact CD2-CG 4.43Å |
| 51 | K | 86.9 | Confident | 86.8 | Confident | 170 Ų | 170 | 59.3 Ų | 59.3 | 74% | 0.739 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.2 | -32.8 | 177.4 | -74.7 | 172.1 | -174.6 | 179 | 0 | 113.3 | D47 R48 G53 | D47-K51 WeakPolarHBondContact O-CB 3.44Å; D47-K51 WeakPolarHBondContact O-CD 3.41Å; D47-K51 WeakPolarHBondContact O-CG 3.48Å; D47-K51 PolarHBondContact O-N 3.41Å; R48-K51 PolarHBondContact O-N 3.23Å; K51-G53 VanDerWaalsContact C-N 3.27Å; K51-G53 PolarHBondContact O-N 2.99Å |
| 52 | S | 85.3 | Confident | 85.8 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.6 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | R48 L49 L50 A54 | R48-S52 PolarHBondContact O-N 3.37Å; R48-S52 PolarHBondContact O-OG 3.09Å; L49-S52 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-OG 2.99Å; L49-S52 VanDerWaalsContact O-OG 3.06Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.36Å; S52-A54 PolarHBondContact O-N 3.38Å; S52-A54 VanDerWaalsContact OG-CB 3.31Å; S52-A54 WeakPolarHBondContact OG-CB 3.33Å |
| 53 | G | 81.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 18.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L49 L50 K51 A55 | L49-G53 PolarHBondContact O-N 2.66Å; L50-G53 PolarHBondContact O-N 3.43Å; K51-G53 VanDerWaalsContact C-N 3.27Å; K51-G53 PolarHBondContact O-N 2.99Å; G53-A55 VanDerWaalsContact C-N 3.33Å |
| 54 | A | 77.8 | Confident | 84.2 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | trans | -90.6 | 2.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L49 S52 | L49-A54 HydrophobicContact CD2-CB 4.39Å; L49-A54 PolarHBondContact O-N 2.93Å; L49-A54 VanDerWaalsContact O-N 3.17Å; S52-A54 PolarHBondContact O-N 3.38Å; S52-A54 VanDerWaalsContact OG-CB 3.31Å; S52-A54 WeakPolarHBondContact OG-CB 3.33Å | ||
| 55 | A | 80.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | trans | -71.2 | 136.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L50 G53 F57 F59 | L50-A55 HydrophobicContact CD2-CB 4.22Å; G53-A55 VanDerWaalsContact C-N 3.33Å; A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 WeakPolarHBondContact CB-O 3.31Å; A55-F57 PolarHBondContact O-N 2.59Å; A55-F59 HydrophobicContact CB-CD2 4.28Å | ||
| 56 | V | 82.2 | Confident | 84.4 | Confident | 125 Ų | 125 | 57.2 Ų | 57.2 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -61.2 | -39 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 57 | F | 86 | Confident | 84.6 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -99.8 | 149.3 | 176.5 | -60.6 | -68.5 | 0 | 0 | 0 | 111.7 | A55 F59 L165 L168 | A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 WeakPolarHBondContact CB-O 3.31Å; A55-F57 PolarHBondContact O-N 2.59Å; F57-F59 HydrophobicContact CB-CD2 4.3Å; F57-F59 HydrophobicContact CB-CE2 3.84Å; F57-F59 HydrophobicContact CB-CZ 4.17Å; F57-F59 WeakPolarHBondContact O-CD2 3.45Å; F57-F59 PolarHBondContact O-N 2.87Å; F57-L165 HydrophobicContact CZ-CD2 3.83Å; F57-L168 HydrophobicContact CB-CB 4.06Å; F57-L168 HydrophobicContact CB-CD1 4.5Å; F57-L168 HydrophobicContact CD1-CB 3.59Å; F57-L168 HydrophobicContact CD2-CB 4.14Å; F57-L168 HydrophobicContact CD2-CD1 3.78Å; F57-L168 HydrophobicContact CE1-CB 4.04Å; F57-L168 HydrophobicContact CE2-CD1 4.18Å; F57-L168 HydrophobicContact CG-CB 3.66Å; F57-L168 HydrophobicContact CG-CD1 4.09Å; F57-L168 HydrophobicContact CZ-CB 4.49Å |
| 58 | Q | 89.6 | Confident | 84.9 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | trans | -81.4 | 94.8 | 173.5 | -61.8 | -170.9 | 15.6 | 0 | 0 | 109.5 | P172 R173 | Q58-P172 HydrophobicContact CB-CB 3.9Å; Q58-R173 HydrophobicContact CB-CG 4.18Å; Q58-R173 WeakPolarHBondContact O-CA 3.49Å; Q58-R173 PolarHBondContact O-N 2.87Å | ||
| 59 | F | 90.1 | Very high | 85.3 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | trans | -81.5 | 160.3 | 171.5 | -67.3 | -81.3 | 0 | 0 | 0 | 111.6 | W46 L50 A55 F57 L61 L168 F175 P177 A180 | W46-F59 HydrophobicContact CH2-CE2 4.23Å; W46-F59 HydrophobicContact CH2-CZ 4.46Å; W46-F59 HydrophobicContact CZ3-CD2 4.39Å; W46-F59 AromaticContact CZ3-CE2 3.83Å; W46-F59 HydrophobicContact CZ3-CE2 3.83Å; W46-F59 HydrophobicContact CZ3-CZ 4.38Å; L50-F59 HydrophobicContact CD2-CB 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.77Å; L50-F59 HydrophobicContact CD2-CG 4.09Å; A55-F59 HydrophobicContact CB-CD2 4.28Å; F57-F59 HydrophobicContact CB-CD2 4.3Å; F57-F59 HydrophobicContact CB-CE2 3.84Å; F57-F59 HydrophobicContact CB-CZ 4.17Å; F57-F59 WeakPolarHBondContact O-CD2 3.45Å; F57-F59 PolarHBondContact O-N 2.87Å; F59-L61 PolarHBondContact O-N 2.94Å; F59-L168 HydrophobicContact CE1-CD1 3.94Å; F59-L168 HydrophobicContact CE1-CD2 4.11Å; F59-L168 HydrophobicContact CZ-CD1 3.83Å; F59-F175 WeakPolarHBondContact CA-O 3.18Å; F59-F175 WeakPolarHBondContact CD1-O 3.45Å; F59-P177 HydrophobicContact CD1-CG 3.93Å; F59-P177 HydrophobicContact CD2-CG 4.24Å; F59-P177 HydrophobicContact CE1-CB 4.33Å; F59-P177 HydrophobicContact CE1-CG 4.09Å; F59-P177 HydrophobicContact CE2-CG 4.39Å; F59-P177 HydrophobicContact CG-CG 4Å; F59-P177 HydrophobicContact CZ-CG 4.31Å; F59-A180 HydrophobicContact CE1-CB 4.28Å | ||
| 60 | R | 89.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | trans | -64.5 | 126.6 | 171 | -166.6 | 169.3 | 69.5 | -126.9 | -7.5 | 109.2 | S62 R173 C174 F175 E179 R384 | R60-S62 PolarHBondContact O-N 2.94Å; R60-S62 VanDerWaalsContact O-N 3.11Å; R60-R173 WeakPolarHBondContact CB-O 3.45Å; R60-C174 PolarHBondContact NH1-O 3.43Å; R60-F175 PolarHBondContact N-O 3.46Å; R60-E179 IonicContact CZ-OE1 2.67Å; R60-E179 IonicContact CZ-OE2 3.71Å; R60-E179 IonicContact NH1-OE1 3.07Å; R60-E179 IonicContact NH1-OE2 3.51Å; R60-E179 PolarHBondContact NH1-OE2 3.17Å; R60-E179 VanDerWaalsContact NH1-OE2 3.13Å; R60-E179 IonicContact NH2-OE1 3.98Å; R60-E179 PolarHBondContact NH2-OE1 2.84Å; R60-E179 IonicContact NH2-OE2 2.75Å; R60-E179 PolarHBondContact NH2-OE2 3.37Å; R60-R384 VanDerWaalsContact CD-O 3.26Å; R60-R384 WeakPolarHBondContact CD-O 3.33Å; R60-R384 PolarHBondContact NH1-O 3.11Å | ||
| 61 | L | 79 | Confident | 86.2 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 75% | 0.749 | 29% | 0.285 | S | S | * | . | trans | -74.1 | 102.1 | 173.4 | -65.2 | 170.4 | 0 | 0 | 0 | 108.2 | F59 | F59-L61 PolarHBondContact O-N 2.94Š| ||
| 62 | S | 70.9 | Confident | 86.7 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | trans | -120.2 | 178.9 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | R60 N64 T176 | R60-S62 PolarHBondContact O-N 2.94Å; R60-S62 VanDerWaalsContact O-N 3.11Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-O 2.86Å; S62-T176 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 63 | A | 65.3 | Low | 87.2 | Confident | 74 Ų | 74 | 35.1 Ų | 35.1 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -62.8 | -27.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 64 | N | 86.8 | Confident | 88 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -152.4 | 165 | 176.3 | 74.6 | 41.8 | 0 | 0 | 0 | 113.1 | V6 E9 S62 G66 S506 Q507 | V6-N64 HydrophobicContact CG1-CB 4.45Å; V6-N64 HydrophobicContact CG2-CB 3.75Å; E9-N64 PolarHBondContact OE2-ND2 2.84Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-O 2.86Å; N64-G66 VanDerWaalsContact C-N 3.34Å; N64-G66 PolarHBondContact O-N 3.12Å; N64-G66 WeakPolarHBondContact OD1-CA 3.35Å; N64-G66 PolarHBondContact OD1-N 3.15Å; N64-S506 VanDerWaalsContact CG-OG 3.25Å; N64-S506 PolarHBondContact ND2-OG 3.23Å; N64-S506 PolarHBondContact OD1-OG 3.25Å; N64-Q507 PolarHBondContact O-NE2 3.41Å; N64-Q507 PolarHBondContact OD1-NE2 2.74Å |
| 65 | S | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -74.7 | -16.3 | -178.6 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | D47 I67 G178 | D47-S65 WeakPolarHBondContact OD1-CB 3.39Å; D47-S65 PolarHBondContact OD1-N 2.96Å; D47-S65 PolarHBondContact OD1-OG 2.97Å; S65-I67 VanDerWaalsContact C-N 3.29Å; S65-I67 PolarHBondContact O-N 2.72Å; S65-G178 PolarHBondContact O-N 3.5Å | ||
| 66 | G | 92.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | 70.7 | 18.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | N64 P69 A70 Q507 | N64-G66 VanDerWaalsContact C-N 3.34Å; N64-G66 PolarHBondContact O-N 3.12Å; N64-G66 WeakPolarHBondContact OD1-CA 3.35Å; N64-G66 PolarHBondContact OD1-N 3.15Å; G66-P69 WeakPolarHBondContact O-CD 3.35Å; G66-P69 WeakPolarHBondContact O-CG 3.37Å; G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.07Å; G66-Q507 VanDerWaalsContact CA-NE2 3.3Å | ||
| 67 | I | 93.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.4 | -44.8 | -170.6 | -70.2 | 176.4 | 0 | 0 | 0 | 112.1 | A39 Q43 W46 S65 A70 S71 L111 P177 | A39-I67 HydrophobicContact CB-CG2 4.44Å; Q43-I67 HydrophobicContact CB-CB 4.35Å; Q43-I67 VanDerWaalsContact OE1-N 3.1Å; W46-I67 HydrophobicContact CB-CD1 3.58Å; W46-I67 HydrophobicContact CD2-CD1 3.83Å; W46-I67 HydrophobicContact CG-CD1 3.16Å; S65-I67 VanDerWaalsContact C-N 3.29Å; S65-I67 PolarHBondContact O-N 2.72Å; I67-A70 PolarHBondContact O-N 3.38Å; I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 2.99Å; I67-S71 PolarHBondContact O-N 2.79Å; I67-S71 PolarHBondContact O-OG 3.39Å; I67-L111 HydrophobicContact CD1-CD2 4.11Å; I67-L111 HydrophobicContact CG1-CD2 4.14Å; I67-P177 HydrophobicContact CD1-CB 4.18Å; I67-P177 HydrophobicContact CG1-CB 4.19Å |
| 68 | V | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.1 | -54.7 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | V13 V36 A39 F40 Q43 A70 S71 | V13-V68 HydrophobicContact CB-CG1 4.07Å; V13-V68 HydrophobicContact CG1-CG1 3.92Å; V13-V68 HydrophobicContact CG2-CG1 4.45Å; V36-V68 HydrophobicContact CG2-CG1 4.09Å; A39-V68 HydrophobicContact CB-CG2 4.17Å; F40-V68 VanDerWaalsContact CA-CG2 3.47Å; F40-V68 HydrophobicContact CB-CG2 4.17Å; Q43-V68 HydrophobicContact CB-CG2 4.02Å; Q43-V68 HydrophobicContact CG-CG2 4.48Å; V68-A70 PolarHBondContact O-N 2.86Å; V68-S71 PolarHBondContact O-OG 3.3Å |
| 69 | P | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 179.5 | 23.1 | -33.1 | 0 | 0 | 0 | 112.2 | V13 G66 V73 L512 Y516 | V13-P69 HydrophobicContact CG2-CB 3.94Å; G66-P69 WeakPolarHBondContact O-CD 3.35Å; G66-P69 WeakPolarHBondContact O-CG 3.37Å; P69-V73 WeakPolarHBondContact O-CG2 3.34Å; P69-L512 HydrophobicContact CB-CD1 3.95Å; P69-L512 HydrophobicContact CB-CD2 3.6Å; P69-L512 HydrophobicContact CB-CG 4.34Å; P69-L512 HydrophobicContact CG-CD2 4.25Å; P69-Y516 WeakPolarHBondContact CA-OH 3.41Å; P69-Y516 HydrophobicContact CB-CE2 4.4Å; P69-Y516 PolarHBondContact O-OH 2.95Å |
| 70 | A | 95.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.033 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G66 I67 V68 M72 V73 G178 L181 L182 | G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.07Å; I67-A70 PolarHBondContact O-N 3.38Å; V68-A70 PolarHBondContact O-N 2.86Å; A70-M72 PolarHBondContact O-N 3.4Å; A70-M72 VanDerWaalsContact O-N 3.17Å; A70-V73 PolarHBondContact O-N 2.74Å; A70-G178 VanDerWaalsContact CB-O 3.26Å; A70-G178 WeakPolarHBondContact CB-O 3.37Å; A70-L181 HydrophobicContact CB-CB 4.5Å; A70-L181 HydrophobicContact CB-CD2 4.14Å; A70-L182 HydrophobicContact CB-CD1 4.2Å; A70-L182 HydrophobicContact CB-CD2 4.25Å; A70-L182 HydrophobicContact CB-CG 3.87Å; A70-L182 WeakPolarHBondContact O-CD2 3.32Å |
| 71 | S | 96.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -23.2 | -176.6 | 60.5 | 0 | 0 | 0 | 0 | 113 | A39 I67 V68 P75 | A39-S71 WeakPolarHBondContact CB-OG 3.45Å; I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 2.99Å; I67-S71 PolarHBondContact O-N 2.79Å; I67-S71 PolarHBondContact O-OG 3.39Å; V68-S71 PolarHBondContact O-OG 3.3Å; S71-P75 VanDerWaalsContact O-CD 3.22Å; S71-P75 WeakPolarHBondContact O-CD 3.16Å; S71-P75 VanDerWaalsContact O-CG 3.3Å; S71-P75 WeakPolarHBondContact O-CG 3.43Å |
| 72 | M | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -95.1 | -17.5 | -175.4 | -61.2 | -44.3 | -44.6 | 0 | 0 | 115.1 | V13 V17 L35 V36 A70 P75 L76 | V13-M72 HydrophobicContact CG1-CB 4.25Å; V13-M72 HydrophobicContact CG1-CG 3.97Å; V17-M72 HydrophobicContact CG2-CB 4.41Å; V17-M72 HydrophobicContact CG2-CE 4.12Å; V17-M72 HydrophobicContact CG2-CG 3.99Å; L35-M72 HydrophobicContact CB-SD 4.22Å; L35-M72 HydrophobicContact CD2-CE 4.16Å; L35-M72 HydrophobicContact CD2-SD 3.88Å; L35-M72 HydrophobicContact CG-SD 3.97Å; V36-M72 HydrophobicContact CB-CG 4.11Å; V36-M72 HydrophobicContact CB-SD 3.81Å; V36-M72 HydrophobicContact CG2-CG 4.09Å; V36-M72 HydrophobicContact CG2-SD 4.43Å; A70-M72 PolarHBondContact O-N 3.4Å; A70-M72 VanDerWaalsContact O-N 3.17Å; M72-P75 HydrophobicContact CE-CB 4.22Å; M72-L76 HydrophobicContact CB-CD1 3.95Å; M72-L76 HydrophobicContact CB-CG 4.28Å; M72-L76 HydrophobicContact CE-CD2 4.18Å; M72-L76 HydrophobicContact CE-CG 4.06Å; M72-L76 VanDerWaalsContact O-CB 3.26Å; M72-L76 WeakPolarHBondContact O-CB 3.34Å; M72-L76 WeakPolarHBondContact O-CG 3.31Å; M72-L76 PolarHBondContact O-N 3.45Å |
| 73 | V | 97.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -57.7 | -176.3 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | P69 A70 M77 L182 L512 L515 Y516 I519 | P69-V73 WeakPolarHBondContact O-CG2 3.34Å; A70-V73 PolarHBondContact O-N 2.74Å; V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 PolarHBondContact O-N 3.38Å; V73-L182 HydrophobicContact CB-CD2 3.74Å; V73-L182 HydrophobicContact CG1-CD2 4.19Å; V73-L182 HydrophobicContact CG2-CD1 4.49Å; V73-L182 HydrophobicContact CG2-CD2 3.92Å; V73-L512 HydrophobicContact CG2-CD1 4.18Å; V73-L515 HydrophobicContact CG1-CB 3.88Å; V73-L515 HydrophobicContact CG1-CD1 3.81Å; V73-L515 HydrophobicContact CG1-CG 4.27Å; V73-Y516 HydrophobicContact CG2-CD2 4.3Å; V73-Y516 HydrophobicContact CG2-CE2 3.69Å; V73-I519 HydrophobicContact CG1-CD1 4.42Å |
| 74 | M | 96.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 14.5 Ų | 14.5 | 14% | 0.138 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | -174.8 | -172 | -179.8 | -69.1 | 0 | 0 | 112.9 | G78 I100 T103 G104 L107 | M74-G78 PolarHBondContact O-N 3.28Å; M74-I100 HydrophobicContact CG-CG2 3.77Å; M74-T103 HydrophobicContact SD-CG2 4.21Å; M74-G104 VanDerWaalsContact SD-CA 3.58Å; M74-L107 HydrophobicContact CE-CD1 4.46Å; M74-L107 HydrophobicContact SD-CD1 4.18Å |
| 75 | P | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 174.7 | -26.8 | 36.3 | 0 | 0 | 0 | 113.8 | L35 S71 M72 G78 L79 M105 | L35-P75 HydrophobicContact CD2-CG 3.93Å; S71-P75 VanDerWaalsContact O-CD 3.22Å; S71-P75 WeakPolarHBondContact O-CD 3.16Å; S71-P75 VanDerWaalsContact O-CG 3.3Å; S71-P75 WeakPolarHBondContact O-CG 3.43Å; M72-P75 HydrophobicContact CE-CB 4.22Å; P75-G78 PolarHBondContact O-N 3.4Å; P75-L79 WeakPolarHBondContact O-CG 3.34Å; P75-L79 PolarHBondContact O-N 3.03Å; P75-L79 VanDerWaalsContact O-N 3.1Å; P75-M105 HydrophobicContact CB-CE 4.22Å; P75-M105 HydrophobicContact CB-CG 3.98Å; P75-M105 HydrophobicContact CG-CG 3.94Å |
| 76 | L | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | -178 | -64.4 | 179.2 | 0 | 0 | 0 | 111.1 | V16 V17 V20 M72 G78 L79 V80 I519 | V16-L76 HydrophobicContact CG1-CD1 4.01Å; V17-L76 HydrophobicContact CG2-CD1 3.93Å; V17-L76 HydrophobicContact CG2-CD2 4.32Å; V20-L76 HydrophobicContact CB-CD2 4.05Å; V20-L76 HydrophobicContact CG1-CD2 4.01Å; V20-L76 HydrophobicContact CG2-CD2 4.21Å; M72-L76 HydrophobicContact CB-CD1 3.95Å; M72-L76 HydrophobicContact CB-CG 4.28Å; M72-L76 HydrophobicContact CE-CD2 4.18Å; M72-L76 HydrophobicContact CE-CG 4.06Å; M72-L76 VanDerWaalsContact O-CB 3.26Å; M72-L76 WeakPolarHBondContact O-CB 3.34Å; M72-L76 WeakPolarHBondContact O-CG 3.31Å; M72-L76 PolarHBondContact O-N 3.45Å; L76-G78 PolarHBondContact O-N 2.89Å; L76-L79 PolarHBondContact O-N 2.88Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 3.47Å; L76-I519 HydrophobicContact CB-CD1 4.11Å; L76-I519 HydrophobicContact CB-CG2 3.94Å |
| 77 | M | 96.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 9% | 0.094 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 175.3 | -176.4 | -179.4 | 75.4 | 0 | 0 | 111.7 | V73 L79 V80 L81 I100 L406 F518 I519 | V73-M77 WeakPolarHBondContact O-CB 3.49Å; V73-M77 PolarHBondContact O-N 3.38Å; M77-L79 VanDerWaalsContact C-N 3.33Å; M77-L79 PolarHBondContact O-N 3.47Å; M77-V80 PolarHBondContact O-N 3.32Å; M77-L81 HydrophobicContact CG-CD1 3.75Å; M77-L81 HydrophobicContact CG-CG 4.36Å; M77-L81 WeakPolarHBondContact O-CB 3.25Å; M77-L81 WeakPolarHBondContact O-CG 3.27Å; M77-L81 PolarHBondContact O-N 2.87Å; M77-I100 HydrophobicContact CE-CG2 3.96Å; M77-L406 HydrophobicContact CE-CD2 4.34Å; M77-L406 HydrophobicContact SD-CD1 3.75Å; M77-L406 HydrophobicContact SD-CD2 4.27Å; M77-L406 HydrophobicContact SD-CG 4.41Å; M77-F518 HydrophobicContact CG-CE1 4.07Å; M77-F518 HydrophobicContact SD-CE1 4.42Å; M77-I519 HydrophobicContact CB-CD1 4.28Å; M77-I519 HydrophobicContact CB-CG1 4.07Å |
| 78 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M74 P75 L76 R82 S97 T101 | M74-G78 PolarHBondContact O-N 3.28Å; P75-G78 PolarHBondContact O-N 3.4Å; L76-G78 PolarHBondContact O-N 2.89Å; G78-R82 WeakPolarHBondContact O-CB 3.28Å; G78-R82 PolarHBondContact O-N 2.9Å; G78-S97 WeakPolarHBondContact CA-O 3.47Å; G78-S97 WeakPolarHBondContact O-CB 3.17Å; G78-T101 VanDerWaalsContact CA-OG1 3.24Å; G78-T101 WeakPolarHBondContact CA-OG1 3.42Å |
| 79 | L | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 178 | -74.6 | 170.8 | 0 | 0 | 0 | 112.4 | I24 H28 S32 P75 L76 M77 R82 E83 T101 | I24-L79 HydrophobicContact CD1-CB 3.94Å; H28-L79 HydrophobicContact CB-CD2 3.51Å; S32-L79 WeakPolarHBondContact OG-CD1 3.34Å; P75-L79 WeakPolarHBondContact O-CG 3.34Å; P75-L79 PolarHBondContact O-N 3.03Å; P75-L79 VanDerWaalsContact O-N 3.1Å; L76-L79 PolarHBondContact O-N 2.88Å; M77-L79 VanDerWaalsContact C-N 3.33Å; M77-L79 PolarHBondContact O-N 3.47Å; L79-R82 WeakPolarHBondContact O-CB 3.18Å; L79-R82 PolarHBondContact O-N 3.06Å; L79-E83 PolarHBondContact O-N 3.49Å; L79-T101 HydrophobicContact CD1-CG2 4.46Å; L79-T101 HydrophobicContact CD2-CG2 3.94Å; L79-T101 HydrophobicContact CG-CG2 3.79Å; L79-T101 PolarHBondContact N-OG1 3.34Å; L79-T101 VanDerWaalsContact N-OG1 3.16Å |
| 80 | V | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | -178.7 | -178 | 0 | 0 | 0 | 0 | 111.1 | V20 I24 L76 M77 R82 E83 K84 I519 L522 L523 | V20-V80 HydrophobicContact CG1-CG2 4.07Å; V20-V80 HydrophobicContact CG2-CG2 4.27Å; I24-V80 HydrophobicContact CD1-CG2 4.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 3.47Å; M77-V80 PolarHBondContact O-N 3.32Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 3.03Å; V80-E83 PolarHBondContact O-N 3.14Å; V80-K84 PolarHBondContact O-N 3.11Å; V80-I519 HydrophobicContact CG2-CG2 4.04Å; V80-L522 HydrophobicContact CB-CD2 4.33Å; V80-L522 HydrophobicContact CG1-CB 3.67Å; V80-L522 HydrophobicContact CG1-CD2 3.77Å; V80-L522 HydrophobicContact CG1-CG 3.57Å; V80-L522 VanDerWaalsContact CG1-O 3.28Å; V80-L522 WeakPolarHBondContact CG1-O 3.39Å; V80-L523 HydrophobicContact CG1-CB 4.38Å; V80-L523 HydrophobicContact CG1-CD1 4.27Å; V80-L523 HydrophobicContact CG2-CD1 3.64Å |
| 81 | L | 94.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.2 | -75.7 | 169.4 | 0 | 0 | 0 | 112 | M77 E83 K84 C85 S97 I100 P408 L522 | M77-L81 HydrophobicContact CG-CD1 3.75Å; M77-L81 HydrophobicContact CG-CG 4.36Å; M77-L81 WeakPolarHBondContact O-CB 3.25Å; M77-L81 WeakPolarHBondContact O-CG 3.27Å; M77-L81 PolarHBondContact O-N 2.87Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.33Å; L81-K84 PolarHBondContact O-N 2.95Å; L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.39Å; L81-C85 PolarHBondContact O-SG 3.34Å; L81-C85 VanDerWaalsContact O-SG 3.33Å; L81-S97 WeakPolarHBondContact CB-OG 3.47Å; L81-I100 HydrophobicContact CD1-CD1 4.47Å; L81-P408 HydrophobicContact CD2-CB 3.65Å; L81-P408 HydrophobicContact CD2-CG 3.71Å; L81-L522 HydrophobicContact CD2-CD2 3.65Å; L81-L522 HydrophobicContact CG-CD2 3.93Å |
| 82 | R | 93.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 177.1 | -178.7 | -155.1 | 175.2 | 172.7 | -13.9 | 110.8 | H28 G78 L79 V80 K84 C85 S86 E94 M98 | H28-R82 PolarHBondContact CD2-NH1 2.71Å; G78-R82 WeakPolarHBondContact O-CB 3.28Å; G78-R82 PolarHBondContact O-N 2.9Å; L79-R82 WeakPolarHBondContact O-CB 3.18Å; L79-R82 PolarHBondContact O-N 3.06Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 3.03Å; R82-K84 PolarHBondContact O-N 2.87Å; R82-C85 PolarHBondContact O-N 3.15Å; R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 2.92Å; R82-E94 HydrophobicContact CG-CG 3.64Å; R82-E94 IonicContact NE-OE1 3.72Å; R82-M98 VanDerWaalsContact CD-SD 3.51Å; R82-M98 HydrophobicContact CG-CG 4.22Å; R82-M98 HydrophobicContact CG-SD 4.36Å; R82-M98 PolarHBondContact NH1-SD 3.44Å |
| 83 | E | 91.4 | Very high | 93 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -45.4 | -178.3 | -169.2 | 59.4 | -154.8 | 0 | 0 | 111.3 | L79 V80 L81 C85 S86 A87 | L79-E83 PolarHBondContact O-N 3.49Å; V80-E83 PolarHBondContact O-N 3.14Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.33Å; E83-C85 PolarHBondContact O-N 3.11Å; E83-S86 PolarHBondContact O-N 3.01Å; E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.06Å |
| 84 | K | 89.8 | Confident | 92.8 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | 175.9 | -65.1 | -58.1 | 178.9 | -161.7 | 0 | 112.6 | V80 L81 R82 A87 S88 L522 L523 | V80-K84 PolarHBondContact O-N 3.11Å; L81-K84 PolarHBondContact O-N 2.95Å; R82-K84 PolarHBondContact O-N 2.87Å; K84-A87 PolarHBondContact O-N 3.22Å; K84-S88 PolarHBondContact O-N 3.25Å; K84-L522 WeakPolarHBondContact CE-O 3.49Å; K84-L522 HydrophobicContact CG-CD1 4.07Å; K84-L522 HydrophobicContact CG-CG 4.19Å; K84-L522 PolarHBondContact NZ-O 2.99Å; K84-L523 PolarHBondContact NZ-O 3.05Å |
| 85 | C | 91.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | L81 R82 E83 S88 G89 N90 F93 E94 C411 | L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.39Å; L81-C85 PolarHBondContact O-SG 3.34Å; L81-C85 VanDerWaalsContact O-SG 3.33Å; R82-C85 PolarHBondContact O-N 3.15Å; E83-C85 PolarHBondContact O-N 3.11Å; C85-S88 WeakPolarHBondContact CA-OG 3.45Å; C85-S88 PolarHBondContact O-N 3.04Å; C85-S88 PolarHBondContact O-OG 3.19Å; C85-G89 PolarHBondContact O-N 3.13Å; C85-N90 PolarHBondContact O-N 3.4Å; C85-F93 HydrophobicContact CB-CB 4.08Å; C85-F93 VanDerWaalsContact SG-CB 3.58Å; C85-E94 HydrophobicContact CB-CB 4.35Å; C85-C411 VanDerWaalsContact CA-SG 3.51Å; C85-C411 HydrophobicContact CB-CB 3.94Å; C85-C411 WeakPolarHBondContact CB-SG 3.37Å; C85-C411 WeakPolarHBondContact SG-CB 3.19Å; C85-C411 CovalentContact SG-SG 2.05Å; C85-C411 PolarHBondContact SG-SG 3.4Å |
| 86 | S | 91.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 172.9 | -161.6 | 0 | 0 | 0 | 0 | 111 | R82 E83 S88 G89 E94 | R82-S86 WeakPolarHBondContact O-CB 3.39Å; R82-S86 PolarHBondContact O-N 2.92Å; E83-S86 PolarHBondContact O-N 3.01Å; S86-S88 PolarHBondContact O-N 2.92Å; S86-G89 PolarHBondContact O-N 3.48Å; S86-E94 PolarHBondContact OG-OE2 2.97Å |
| 87 | A | 88.9 | Confident | 92.3 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 72% | 0.719 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.5 | -30.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E83 K84 G89 | E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.06Å; K84-A87 PolarHBondContact O-N 3.22Å; A87-G89 VanDerWaalsContact C-N 3.32Å |
| 88 | S | 87.8 | Confident | 92.2 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.1 | 175.8 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | K84 C85 S86 N90 C411 | K84-S88 PolarHBondContact O-N 3.25Å; C85-S88 WeakPolarHBondContact CA-OG 3.45Å; C85-S88 PolarHBondContact O-N 3.04Å; C85-S88 PolarHBondContact O-OG 3.19Å; S86-S88 PolarHBondContact O-N 2.92Å; S88-N90 VanDerWaalsContact C-N 3.26Å; S88-N90 PolarHBondContact O-N 2.94Å; S88-N90 WeakPolarHBondContact OG-CB 3.49Å; S88-C411 WeakPolarHBondContact CB-O 3.49Å |
| 89 | G | 89.6 | Confident | 92.2 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 13.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C85 S86 A87 V91 | C85-G89 PolarHBondContact O-N 3.13Å; S86-G89 PolarHBondContact O-N 3.48Å; A87-G89 VanDerWaalsContact C-N 3.32Å; G89-V91 PolarHBondContact O-N 2.75Å |
| 90 | N | 89.6 | Confident | 92.2 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | trans | -90.8 | 85 | -177.6 | -163.7 | -30.9 | 0 | 0 | 0 | 111.5 | C85 S88 Y92 F93 E94 P410 | C85-N90 PolarHBondContact O-N 3.4Å; S88-N90 VanDerWaalsContact C-N 3.26Å; S88-N90 PolarHBondContact O-N 2.94Å; S88-N90 WeakPolarHBondContact OG-CB 3.49Å; N90-Y92 VanDerWaalsContact C-N 3.3Å; N90-Y92 PolarHBondContact O-N 3.36Å; N90-F93 WeakPolarHBondContact ND2-CD2 3.49Å; N90-F93 PolarHBondContact O-N 2.9Å; N90-F93 PolarHBondContact OD1-N 2.96Å; N90-E94 PolarHBondContact O-N 2.66Å; N90-P410 PolarHBondContact ND2-O 3.46Å | ||
| 91 | V | 91.6 | Very high | 92.3 | Very high | 97 Ų | 97 | 49.1 Ų | 49.1 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.7 | -38 | -174.8 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | G89 E94 R95 | G89-V91 PolarHBondContact O-N 2.75Å; V91-E94 PolarHBondContact O-N 2.93Å; V91-R95 WeakPolarHBondContact O-CG 3.38Å; V91-R95 PolarHBondContact O-N 3.34Å |
| 92 | Y | 90.7 | Very high | 92.4 | Very high | 141 Ų | 141 | 48.5 Ų | 48.5 | 55% | 0.553 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.9 | -49.9 | 178.9 | 173.3 | -94.8 | 0 | 0 | 0 | 111.2 | N90 E94 R95 F96 | N90-Y92 VanDerWaalsContact C-N 3.3Å; N90-Y92 PolarHBondContact O-N 3.36Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-R95 PolarHBondContact O-N 3.29Å; Y92-F96 WeakPolarHBondContact O-CB 3.2Å; Y92-F96 PolarHBondContact O-N 3.18Å |
| 93 | F | 90.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 25% | 0.25 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.5 | -26.5 | 179.8 | -81 | -81.5 | 0 | 0 | 0 | 113.1 | C85 N90 F96 S97 P410 C411 | C85-F93 HydrophobicContact CB-CB 4.08Å; C85-F93 VanDerWaalsContact SG-CB 3.58Å; N90-F93 WeakPolarHBondContact ND2-CD2 3.49Å; N90-F93 PolarHBondContact O-N 2.9Å; N90-F93 PolarHBondContact OD1-N 2.96Å; F93-F96 HydrophobicContact CD1-CD1 4.2Å; F93-S97 WeakPolarHBondContact O-CB 3.44Å; F93-S97 PolarHBondContact O-N 3.46Å; F93-S97 PolarHBondContact O-OG 3.44Å; F93-P410 HydrophobicContact CD2-CB 3.81Å; F93-P410 HydrophobicContact CD2-CG 4.37Å; F93-P410 HydrophobicContact CE1-CG 4.29Å; F93-P410 HydrophobicContact CE2-CB 3.47Å; F93-P410 VanDerWaalsContact CE2-CB 3.47Å; F93-P410 HydrophobicContact CE2-CG 3.64Å; F93-P410 HydrophobicContact CZ-CB 3.96Å; F93-P410 HydrophobicContact CZ-CG 3.6Å; F93-C411 WeakPolarHBondContact CB-SG 2.66Å |
| 94 | E | 93.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -52 | 169.2 | -173 | -171.2 | 156.6 | 0 | 0 | 110.9 | R82 C85 S86 N90 V91 Y92 F96 S97 M98 | R82-E94 HydrophobicContact CG-CG 3.64Å; R82-E94 IonicContact NE-OE1 3.72Å; C85-E94 HydrophobicContact CB-CB 4.35Å; S86-E94 PolarHBondContact OG-OE2 2.97Å; N90-E94 PolarHBondContact O-N 2.66Å; V91-E94 PolarHBondContact O-N 2.93Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; E94-F96 PolarHBondContact O-N 3.33Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 3.25Å; E94-M98 PolarHBondContact O-N 3.28Å; E94-M98 VanDerWaalsContact O-N 3.12Å |
| 95 | R | 93.8 | Very high | 93.2 | Very high | 99 Ų | 99 | 38.2 Ų | 38.2 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.3 | -74.3 | -63.2 | -144.5 | 162.3 | -6.3 | 112.2 | V91 Y92 S97 M98 V99 T144 E149 | V91-R95 WeakPolarHBondContact O-CG 3.38Å; V91-R95 PolarHBondContact O-N 3.34Å; Y92-R95 PolarHBondContact O-N 3.29Å; R95-S97 VanDerWaalsContact C-N 3.31Å; R95-S97 PolarHBondContact O-N 3.41Å; R95-M98 VanDerWaalsContact O-CB 3.3Å; R95-M98 WeakPolarHBondContact O-CB 3.34Å; R95-M98 PolarHBondContact O-N 2.8Å; R95-M98 VanDerWaalsContact O-N 3.13Å; R95-V99 PolarHBondContact O-N 3.47Å; R95-V99 VanDerWaalsContact O-N 3.08Å; R95-T144 PolarHBondContact NH1-O 3.15Å; R95-E149 VanDerWaalsContact CD-OE1 3.28Å; R95-E149 WeakPolarHBondContact CD-OE1 3.44Å; R95-E149 IonicContact CZ-OE1 3.71Å; R95-E149 IonicContact CZ-OE2 3.85Å; R95-E149 IonicContact NE-OE1 3.54Å; R95-E149 IonicContact NH1-OE1 3.52Å; R95-E149 IonicContact NH1-OE2 3.04Å; R95-E149 PolarHBondContact NH1-OE2 3.34Å |
| 96 | F | 93.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 175.1 | -176.5 | -109 | 0 | 0 | 0 | 112.6 | Y92 F93 E94 M98 V99 I100 F189 Q193 | Y92-F96 WeakPolarHBondContact O-CB 3.2Å; Y92-F96 PolarHBondContact O-N 3.18Å; F93-F96 HydrophobicContact CD1-CD1 4.2Å; E94-F96 PolarHBondContact O-N 3.33Å; F96-M98 VanDerWaalsContact C-N 3.28Å; F96-M98 PolarHBondContact O-N 3.11Å; F96-V99 WeakPolarHBondContact O-CB 3.34Å; F96-V99 PolarHBondContact O-N 2.96Å; F96-V99 VanDerWaalsContact O-N 3.16Å; F96-I100 HydrophobicContact CD1-CD1 3.75Å; F96-I100 HydrophobicContact CE1-CD1 3.54Å; F96-I100 HydrophobicContact CE1-CG1 4.33Å; F96-I100 HydrophobicContact CZ-CD1 4.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.31Å; F96-I100 PolarHBondContact O-N 2.96Å; F96-F189 HydrophobicContact CE1-CE1 4.37Å; F96-F189 HydrophobicContact CE1-CZ 4.37Å; F96-F189 HydrophobicContact CE2-CE1 4.08Å; F96-F189 AromaticContact CE2-CZ 3.71Å; F96-F189 HydrophobicContact CE2-CZ 3.71Å; F96-F189 AromaticContact CZ-CE1 3.56Å; F96-F189 HydrophobicContact CZ-CE1 3.56Å; F96-F189 AromaticContact CZ-CZ 3.58Å; F96-F189 HydrophobicContact CZ-CZ 3.58Å; F96-Q193 HydrophobicContact CE2-CG 4.35Å; F96-Q193 HydrophobicContact CZ-CG 4.39Å |
| 97 | S | 94.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -31.7 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | G78 L81 F93 E94 R95 I100 T101 | G78-S97 WeakPolarHBondContact CA-O 3.47Å; G78-S97 WeakPolarHBondContact O-CB 3.17Å; L81-S97 WeakPolarHBondContact CB-OG 3.47Å; F93-S97 WeakPolarHBondContact O-CB 3.44Å; F93-S97 PolarHBondContact O-N 3.46Å; F93-S97 PolarHBondContact O-OG 3.44Å; E94-S97 WeakPolarHBondContact O-CB 3.46Å; E94-S97 PolarHBondContact O-N 3.25Å; R95-S97 VanDerWaalsContact C-N 3.31Å; R95-S97 PolarHBondContact O-N 3.41Å; S97-I100 PolarHBondContact O-N 3.3Å; S97-T101 PolarHBondContact O-N 2.97Å; S97-T101 PolarHBondContact O-OG1 3.2Å |
| 98 | M | 94.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 170.7 | -81.2 | -55.7 | -52.5 | 0 | 0 | 112.8 | H28 R82 E94 R95 F96 T101 I102 L145 | H28-M98 VanDerWaalsContact CD2-CE 3.49Å; H28-M98 WeakPolarHBondContact CD2-CE 3.33Å; H28-M98 WeakPolarHBondContact CE1-CE 3.42Å; H28-M98 WeakPolarHBondContact NE2-CE 3.26Å; R82-M98 VanDerWaalsContact CD-SD 3.51Å; R82-M98 HydrophobicContact CG-CG 4.22Å; R82-M98 HydrophobicContact CG-SD 4.36Å; R82-M98 PolarHBondContact NH1-SD 3.44Å; E94-M98 PolarHBondContact O-N 3.28Å; E94-M98 VanDerWaalsContact O-N 3.12Å; R95-M98 VanDerWaalsContact O-CB 3.3Å; R95-M98 WeakPolarHBondContact O-CB 3.34Å; R95-M98 PolarHBondContact O-N 2.8Å; R95-M98 VanDerWaalsContact O-N 3.13Å; F96-M98 VanDerWaalsContact C-N 3.28Å; F96-M98 PolarHBondContact O-N 3.11Å; M98-T101 WeakPolarHBondContact O-CB 3.19Å; M98-T101 PolarHBondContact O-N 3.24Å; M98-I102 HydrophobicContact CE-CD1 3.87Å; M98-I102 HydrophobicContact CE-CG1 4.41Å; M98-I102 PolarHBondContact O-N 3.06Å; M98-I102 VanDerWaalsContact O-N 3.09Å; M98-L145 HydrophobicContact CB-CD2 4.25Å |
| 99 | V | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 172.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | R95 F96 T101 I102 T103 E149 E152 V153 F189 | R95-V99 PolarHBondContact O-N 3.47Å; R95-V99 VanDerWaalsContact O-N 3.08Å; F96-V99 WeakPolarHBondContact O-CB 3.34Å; F96-V99 PolarHBondContact O-N 2.96Å; F96-V99 VanDerWaalsContact O-N 3.16Å; V99-T101 VanDerWaalsContact C-N 3.3Å; V99-T101 PolarHBondContact O-N 2.87Å; V99-I102 PolarHBondContact O-N 3.06Å; V99-T103 VanDerWaalsContact O-CB 3.3Å; V99-T103 WeakPolarHBondContact O-CB 3.48Å; V99-T103 PolarHBondContact O-N 3.21Å; V99-T103 PolarHBondContact O-OG1 3.2Å; V99-E149 HydrophobicContact CG2-CB 3.96Å; V99-E149 HydrophobicContact CG2-CG 3.89Å; V99-E152 HydrophobicContact CG1-CB 4.36Å; V99-E152 HydrophobicContact CG1-CG 3.94Å; V99-V153 HydrophobicContact CG1-CG2 4.2Å; V99-F189 HydrophobicContact CG1-CE2 4.44Å |
| 100 | I | 96.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.4 | -48.1 | 175.7 | -68 | 165.5 | 0 | 0 | 0 | 111.1 | M74 M77 L81 F96 S97 I102 G104 F189 | M74-I100 HydrophobicContact CG-CG2 3.77Å; M77-I100 HydrophobicContact CE-CG2 3.96Å; L81-I100 HydrophobicContact CD1-CD1 4.47Å; F96-I100 HydrophobicContact CD1-CD1 3.75Å; F96-I100 HydrophobicContact CE1-CD1 3.54Å; F96-I100 HydrophobicContact CE1-CG1 4.33Å; F96-I100 HydrophobicContact CZ-CD1 4.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.31Å; F96-I100 PolarHBondContact O-N 2.96Å; S97-I100 PolarHBondContact O-N 3.3Å; I100-I102 PolarHBondContact O-N 2.8Å; I100-G104 PolarHBondContact O-N 2.93Å; I100-F189 HydrophobicContact CD1-CZ 4.24Å; I100-F189 HydrophobicContact CG1-CE1 4.1Å; I100-F189 HydrophobicContact CG1-CE2 3.93Å; I100-F189 HydrophobicContact CG1-CZ 3.47Å; I100-F189 VanDerWaalsContact CG1-CZ 3.47Å |
| 101 | T | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.1 | -53.1 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | G78 L79 S97 M98 V99 G104 M105 | G78-T101 VanDerWaalsContact CA-OG1 3.24Å; G78-T101 WeakPolarHBondContact CA-OG1 3.42Å; L79-T101 HydrophobicContact CD1-CG2 4.46Å; L79-T101 HydrophobicContact CD2-CG2 3.94Å; L79-T101 HydrophobicContact CG-CG2 3.79Å; L79-T101 PolarHBondContact N-OG1 3.34Å; L79-T101 VanDerWaalsContact N-OG1 3.16Å; S97-T101 PolarHBondContact O-N 2.97Å; S97-T101 PolarHBondContact O-OG1 3.2Å; M98-T101 WeakPolarHBondContact O-CB 3.19Å; M98-T101 PolarHBondContact O-N 3.24Å; V99-T101 VanDerWaalsContact C-N 3.3Å; V99-T101 PolarHBondContact O-N 2.87Å; T101-G104 PolarHBondContact O-N 3.13Å; T101-M105 HydrophobicContact CG2-CE 3.69Å; T101-M105 HydrophobicContact CG2-SD 4.45Å; T101-M105 WeakPolarHBondContact O-CG 3.07Å; T101-M105 PolarHBondContact O-N 3.31Å; T101-M105 VanDerWaalsContact O-N 3.12Å |
| 102 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.1 | -39.1 | -174 | -70.8 | 169.7 | 0 | 0 | 0 | 111 | M98 V99 I100 G104 M105 M106 T141 L145 V153 | M98-I102 HydrophobicContact CE-CD1 3.87Å; M98-I102 HydrophobicContact CE-CG1 4.41Å; M98-I102 PolarHBondContact O-N 3.06Å; M98-I102 VanDerWaalsContact O-N 3.09Å; V99-I102 PolarHBondContact O-N 3.06Å; I100-I102 PolarHBondContact O-N 2.8Å; I102-G104 VanDerWaalsContact C-N 3.3Å; I102-G104 PolarHBondContact O-N 3.04Å; I102-M105 PolarHBondContact O-N 3.36Å; I102-M105 VanDerWaalsContact O-N 3.15Å; I102-M106 HydrophobicContact CG2-CG 4.12Å; I102-M106 WeakPolarHBondContact O-CB 3.5Å; I102-M106 VanDerWaalsContact O-CG 3.28Å; I102-M106 WeakPolarHBondContact O-CG 3.47Å; I102-M106 PolarHBondContact O-N 2.92Å; I102-T141 HydrophobicContact CD1-CG2 4.42Å; I102-T141 HydrophobicContact CG2-CG2 3.85Å; I102-T141 WeakPolarHBondContact CG2-OG1 3.27Å; I102-L145 HydrophobicContact CB-CD1 4.16Å; I102-L145 HydrophobicContact CD1-CD1 3.56Å; I102-L145 HydrophobicContact CD1-CD2 3.77Å; I102-L145 HydrophobicContact CD1-CG 3.44Å; I102-L145 VanDerWaalsContact CD1-CG 3.44Å; I102-L145 HydrophobicContact CG1-CD1 4.45Å; I102-L145 HydrophobicContact CG2-CD1 3.97Å; I102-V153 HydrophobicContact CG2-CG1 4.25Å; I102-V153 HydrophobicContact CG2-CG2 4.06Å |
| 103 | T | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 171.7 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | M74 V99 M105 M106 L107 V156 F189 | M74-T103 HydrophobicContact SD-CG2 4.21Å; V99-T103 VanDerWaalsContact O-CB 3.3Å; V99-T103 WeakPolarHBondContact O-CB 3.48Å; V99-T103 PolarHBondContact O-N 3.21Å; V99-T103 PolarHBondContact O-OG1 3.2Å; T103-M105 VanDerWaalsContact C-N 3.33Å; T103-M105 PolarHBondContact O-N 2.83Å; T103-M106 PolarHBondContact O-N 3.45Å; T103-L107 HydrophobicContact CG2-CD1 3.94Å; T103-L107 HydrophobicContact CG2-CG 4.26Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.26Å; T103-L107 WeakPolarHBondContact O-CG 3.44Å; T103-L107 PolarHBondContact O-N 2.96Å; T103-V156 HydrophobicContact CG2-CB 3.99Å; T103-V156 HydrophobicContact CG2-CG1 3.54Å; T103-F189 HydrophobicContact CG2-CD2 4.33Å |
| 104 | G | 96.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M74 I100 T101 I102 A108 | M74-G104 VanDerWaalsContact SD-CA 3.58Å; I100-G104 PolarHBondContact O-N 2.93Å; T101-G104 PolarHBondContact O-N 3.13Å; I102-G104 VanDerWaalsContact C-N 3.3Å; I102-G104 PolarHBondContact O-N 3.04Å; G104-A108 WeakPolarHBondContact O-CB 3.45Å; G104-A108 PolarHBondContact O-N 3.21Å; G104-A108 VanDerWaalsContact O-N 3.13Å |
| 105 | M | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.6 | -66.6 | 179.7 | 179.5 | 0 | 0 | 111.5 | H28 C31 S32 L35 P75 T101 I102 T103 A108 L109 I137 | H28-M105 HydrophobicContact CB-CE 4.44Å; H28-M105 WeakPolarHBondContact O-CE 3.41Å; C31-M105 HydrophobicContact CB-CE 3.9Å; C31-M105 HydrophobicContact CB-SD 3.96Å; S32-M105 WeakPolarHBondContact OG-CE 3.25Å; L35-M105 HydrophobicContact CD2-CB 4.31Å; L35-M105 HydrophobicContact CD2-CG 4.01Å; P75-M105 HydrophobicContact CB-CE 4.22Å; P75-M105 HydrophobicContact CB-CG 3.98Å; P75-M105 HydrophobicContact CG-CG 3.94Å; T101-M105 HydrophobicContact CG2-CE 3.69Å; T101-M105 HydrophobicContact CG2-SD 4.45Å; T101-M105 WeakPolarHBondContact O-CG 3.07Å; T101-M105 PolarHBondContact O-N 3.31Å; T101-M105 VanDerWaalsContact O-N 3.12Å; I102-M105 PolarHBondContact O-N 3.36Å; I102-M105 VanDerWaalsContact O-N 3.15Å; T103-M105 VanDerWaalsContact C-N 3.33Å; T103-M105 PolarHBondContact O-N 2.83Å; M105-A108 PolarHBondContact O-N 3.45Å; M105-L109 WeakPolarHBondContact O-CB 3.33Å; M105-L109 WeakPolarHBondContact O-CG 3.13Å; M105-L109 PolarHBondContact O-N 3.44Å; M105-I137 HydrophobicContact CB-CD1 4.22Å; M105-I137 HydrophobicContact CB-CG2 3.95Å; M105-I137 HydrophobicContact SD-CD1 4.49Å; M105-I137 HydrophobicContact SD-CG1 4.12Å; M105-I137 HydrophobicContact SD-CG2 4.28Å |
| 106 | M | 96 | Very high | 93.1 | Very high | 41 Ų | 41 | 19.3 Ų | 19.3 | 20% | 0.202 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | -178.9 | -68.8 | -59.2 | -69.9 | 0 | 0 | 112.5 | I102 T103 L109 F110 I137 L138 V153 | I102-M106 HydrophobicContact CG2-CG 4.12Å; I102-M106 WeakPolarHBondContact O-CB 3.5Å; I102-M106 VanDerWaalsContact O-CG 3.28Å; I102-M106 WeakPolarHBondContact O-CG 3.47Å; I102-M106 PolarHBondContact O-N 2.92Å; T103-M106 PolarHBondContact O-N 3.45Å; M106-L109 PolarHBondContact O-N 2.92Å; M106-L109 HydrophobicContact SD-CD1 4.22Å; M106-F110 WeakPolarHBondContact O-CB 3.24Å; M106-F110 PolarHBondContact O-N 3.49Å; M106-I137 HydrophobicContact SD-CG2 4.06Å; M106-L138 HydrophobicContact CE-CD2 4.04Å; M106-L138 HydrophobicContact SD-CD2 4.25Å; M106-V153 HydrophobicContact CB-CG1 4.16Å; M106-V153 HydrophobicContact CG-CG1 3.85Å |
| 107 | L | 96.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 174.2 | -70.4 | 175 | 0 | 0 | 0 | 111.6 | M74 T103 F110 L111 L157 F160 L181 | M74-L107 HydrophobicContact CE-CD1 4.46Å; M74-L107 HydrophobicContact SD-CD1 4.18Å; T103-L107 HydrophobicContact CG2-CD1 3.94Å; T103-L107 HydrophobicContact CG2-CG 4.26Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.26Å; T103-L107 WeakPolarHBondContact O-CG 3.44Å; T103-L107 PolarHBondContact O-N 2.96Å; L107-F110 PolarHBondContact O-N 3.23Å; L107-L111 PolarHBondContact O-N 2.73Å; L107-L111 VanDerWaalsContact O-N 3.07Å; L107-L157 HydrophobicContact CD2-CD1 3.86Å; L107-F160 HydrophobicContact CD2-CB 3.58Å; L107-F160 HydrophobicContact CD2-CD1 3.5Å; L107-F160 HydrophobicContact CD2-CD2 3.86Å; L107-F160 HydrophobicContact CD2-CE1 4.11Å; L107-F160 HydrophobicContact CD2-CE2 4.41Å; L107-F160 HydrophobicContact CD2-CG 3.36Å; L107-L181 HydrophobicContact CB-CD1 3.89Å |
| 108 | A | 95.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L35 G104 M105 L111 S112 | L35-A108 HydrophobicContact CD1-CB 3.95Å; L35-A108 HydrophobicContact CD2-CB 4.18Å; L35-A108 HydrophobicContact CG-CB 4.5Å; G104-A108 WeakPolarHBondContact O-CB 3.45Å; G104-A108 PolarHBondContact O-N 3.21Å; G104-A108 VanDerWaalsContact O-N 3.13Å; M105-A108 PolarHBondContact O-N 3.45Å; A108-L111 PolarHBondContact O-N 3.35Å; A108-S112 WeakPolarHBondContact O-CB 3.4Å; A108-S112 PolarHBondContact O-N 3.06Å; A108-S112 VanDerWaalsContact O-N 3.07Å; A108-S112 PolarHBondContact O-OG 3.39Å |
| 109 | L | 94.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.1 | -74.8 | 176.6 | 0 | 0 | 0 | 111.7 | L35 M105 M106 S112 L113 I137 | L35-L109 HydrophobicContact CD1-CD2 4.23Å; L35-L109 HydrophobicContact CD1-CG 4.31Å; M105-L109 WeakPolarHBondContact O-CB 3.33Å; M105-L109 WeakPolarHBondContact O-CG 3.13Å; M105-L109 PolarHBondContact O-N 3.44Å; M106-L109 PolarHBondContact O-N 2.92Å; M106-L109 HydrophobicContact SD-CD1 4.22Å; L109-S112 WeakPolarHBondContact O-CA 3.37Å; L109-S112 VanDerWaalsContact O-CB 3.28Å; L109-S112 WeakPolarHBondContact O-CB 3.08Å; L109-S112 PolarHBondContact O-N 3.15Å; L109-S112 VanDerWaalsContact O-N 3.17Å; L109-L113 WeakPolarHBondContact O-CG 3.27Å; L109-L113 PolarHBondContact O-N 3.32Å; L109-I137 HydrophobicContact CD1-CB 3.94Å; L109-I137 HydrophobicContact CD1-CD1 3.63Å; L109-I137 HydrophobicContact CD1-CG1 4.38Å; L109-I137 HydrophobicContact CD1-CG2 3.82Å; L109-I137 HydrophobicContact CD2-CD1 4.13Å; L109-I137 HydrophobicContact CG-CD1 3.99Å |
| 110 | F | 93 | Very high | 91 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 25% | 0.25 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 177.9 | 175.7 | -99.7 | 0 | 0 | 0 | 112.1 | M106 L107 S112 L113 I114 L157 F160 V161 | M106-F110 WeakPolarHBondContact O-CB 3.24Å; M106-F110 PolarHBondContact O-N 3.49Å; L107-F110 PolarHBondContact O-N 3.23Å; F110-S112 PolarHBondContact O-N 2.72Å; F110-L113 PolarHBondContact O-N 2.87Å; F110-L113 VanDerWaalsContact O-N 3.14Å; F110-I114 HydrophobicContact CD1-CD1 4.01Å; F110-I114 HydrophobicContact CE1-CD1 3.35Å; F110-I114 HydrophobicContact CE1-CG1 4.24Å; F110-I114 HydrophobicContact CZ-CD1 3.64Å; F110-I114 HydrophobicContact CZ-CG1 4.2Å; F110-I114 PolarHBondContact O-N 2.63Å; F110-I114 VanDerWaalsContact O-N 3.12Å; F110-L157 HydrophobicContact CB-CD1 3.84Å; F110-L157 HydrophobicContact CD1-CD1 4.27Å; F110-L157 HydrophobicContact CD2-CD1 4.31Å; F110-L157 HydrophobicContact CG-CD1 3.87Å; F110-F160 HydrophobicContact CD1-CD1 4.24Å; F110-F160 AromaticContact CD1-CE1 3.94Å; F110-F160 HydrophobicContact CD1-CE1 3.94Å; F110-F160 HydrophobicContact CE1-CD1 4.43Å; F110-F160 HydrophobicContact CE1-CE1 4.23Å; F110-V161 HydrophobicContact CD1-CG2 4.35Å; F110-V161 HydrophobicContact CE1-CG2 3.56Å; F110-V161 HydrophobicContact CE2-CG2 3.97Å; F110-V161 HydrophobicContact CZ-CG1 4.47Å; F110-V161 HydrophobicContact CZ-CG2 3.35Å |
| 111 | L | 89 | Confident | 90.5 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -34.1 | 175.4 | -166.8 | 74.1 | 0 | 0 | 0 | 111.8 | W46 I67 L107 A108 I114 A115 L181 | W46-L111 HydrophobicContact CH2-CD1 4.44Å; W46-L111 HydrophobicContact CZ2-CD1 3.83Å; W46-L111 HydrophobicContact CZ2-CG 3.97Å; W46-L111 PolarHBondContact NE1-O 3.16Å; I67-L111 HydrophobicContact CD1-CD2 4.11Å; I67-L111 HydrophobicContact CG1-CD2 4.14Å; L107-L111 PolarHBondContact O-N 2.73Å; L107-L111 VanDerWaalsContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 3.35Å; L111-I114 PolarHBondContact O-N 2.77Å; L111-A115 PolarHBondContact O-N 3.44Å; L111-L181 HydrophobicContact CD2-CB 4.39Å; L111-L181 HydrophobicContact CD2-CD2 4.31Å |
| 112 | S | 88.4 | Confident | 89.9 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | 176 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | Q38 A108 L109 F110 I114 A115 L116 | Q38-S112 PolarHBondContact NE2-OG 3.47Å; Q38-S112 PolarHBondContact OE1-OG 3.2Å; A108-S112 WeakPolarHBondContact O-CB 3.4Å; A108-S112 PolarHBondContact O-N 3.06Å; A108-S112 VanDerWaalsContact O-N 3.07Å; A108-S112 PolarHBondContact O-OG 3.39Å; L109-S112 WeakPolarHBondContact O-CA 3.37Å; L109-S112 VanDerWaalsContact O-CB 3.28Å; L109-S112 WeakPolarHBondContact O-CB 3.08Å; L109-S112 PolarHBondContact O-N 3.15Å; L109-S112 VanDerWaalsContact O-N 3.17Å; F110-S112 PolarHBondContact O-N 2.72Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.76Å; S112-A115 PolarHBondContact O-N 3.37Å; S112-L116 VanDerWaalsContact O-CG 3.27Å; S112-L116 WeakPolarHBondContact O-CG 3.35Å; S112-L116 PolarHBondContact O-N 2.92Å; S112-L116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 88.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 42.6 Ų | 42.6 | 59% | 0.592 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.1 | -39.9 | 175.6 | -71.3 | 171.3 | 0 | 0 | 0 | 112 | L109 F110 A115 L116 G117 | L109-L113 WeakPolarHBondContact O-CG 3.27Å; L109-L113 PolarHBondContact O-N 3.32Å; F110-L113 PolarHBondContact O-N 2.87Å; F110-L113 VanDerWaalsContact O-N 3.14Å; L113-A115 PolarHBondContact O-N 2.78Å; L113-L116 PolarHBondContact O-N 3.09Å; L113-G117 PolarHBondContact O-N 3.38Å |
| 114 | I | 86.3 | Confident | 89.1 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 36% | 0.359 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 174.7 | -67.8 | 172.9 | 0 | 0 | 0 | 110.5 | W46 F110 L111 S112 L116 G117 V118 | W46-I114 HydrophobicContact CH2-CG2 4.42Å; W46-I114 HydrophobicContact CZ2-CG2 4.24Å; F110-I114 HydrophobicContact CD1-CD1 4.01Å; F110-I114 HydrophobicContact CE1-CD1 3.35Å; F110-I114 HydrophobicContact CE1-CG1 4.24Å; F110-I114 HydrophobicContact CZ-CD1 3.64Å; F110-I114 HydrophobicContact CZ-CG1 4.2Å; F110-I114 PolarHBondContact O-N 2.63Å; F110-I114 VanDerWaalsContact O-N 3.12Å; L111-I114 PolarHBondContact O-N 2.77Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.76Å; I114-L116 VanDerWaalsContact C-N 3.28Å; I114-L116 PolarHBondContact O-N 3.41Å; I114-G117 PolarHBondContact O-N 2.91Å; I114-V118 HydrophobicContact CG2-CG2 4.48Å; I114-V118 WeakPolarHBondContact O-CG2 3.14Å; I114-V118 PolarHBondContact O-N 3.31Å; I114-V118 VanDerWaalsContact O-N 3.1Å |
| 115 | A | 84.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V42 W46 L49 L111 S112 L113 T119 | V42-A115 HydrophobicContact CG1-CB 4.12Å; W46-A115 HydrophobicContact CD2-CB 4.25Å; W46-A115 HydrophobicContact CG-CB 4.1Å; W46-A115 HydrophobicContact CZ2-CB 4.32Å; L49-A115 HydrophobicContact CD1-CB 4.43Å; L111-A115 PolarHBondContact O-N 3.44Å; S112-A115 PolarHBondContact O-N 3.37Å; L113-A115 PolarHBondContact O-N 2.78Å; A115-T119 WeakPolarHBondContact O-CB 3.36Å; A115-T119 PolarHBondContact O-N 3.43Å; A115-T119 PolarHBondContact O-OG1 3.39Å |
| 116 | L | 85.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | -178 | -66.1 | 172.6 | 0 | 0 | 0 | 112.4 | S112 L113 I114 P123 T126 A130 | S112-L116 VanDerWaalsContact O-CG 3.27Å; S112-L116 WeakPolarHBondContact O-CG 3.35Å; S112-L116 PolarHBondContact O-N 2.92Å; S112-L116 VanDerWaalsContact O-N 3.08Å; L113-L116 PolarHBondContact O-N 3.09Å; I114-L116 VanDerWaalsContact C-N 3.28Å; I114-L116 PolarHBondContact O-N 3.41Å; L116-P123 HydrophobicContact CD2-CG 3.57Å; L116-T126 HydrophobicContact CD2-CG2 3.59Å; L116-A130 HydrophobicContact CD1-CB 3.63Å |
| 117 | G | 83.8 | Confident | 88.2 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L113 I114 | L113-G117 PolarHBondContact O-N 3.38Å; I114-G117 PolarHBondContact O-N 2.91Å |
| 118 | V | 84.6 | Confident | 88.1 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -85 | -29.2 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | L49 I114 R120 | L49-V118 HydrophobicContact CD2-CG1 4.1Å; I114-V118 HydrophobicContact CG2-CG2 4.48Å; I114-V118 WeakPolarHBondContact O-CG2 3.14Å; I114-V118 PolarHBondContact O-N 3.31Å; I114-V118 VanDerWaalsContact O-N 3.1Å; V118-R120 PolarHBondContact O-N 3.37Å |
| 119 | T | 83.3 | Confident | 88 | Confident | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | trans | -69.5 | 125.5 | -176.9 | -59.1 | 0 | 0 | 0 | 0 | 112 | K45 A115 P123 | K45-T119 HydrophobicContact CD-CG2 4.46Å; A115-T119 WeakPolarHBondContact O-CB 3.36Å; A115-T119 PolarHBondContact O-N 3.43Å; A115-T119 PolarHBondContact O-OG1 3.39Å; T119-P123 HydrophobicContact CG2-CG 4.35Å | ||
| 120 | R | 82.3 | Confident | 87.9 | Confident | 190 Ų | 190 | 58.7 Ų | 58.7 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -121 | 137.7 | 172.1 | -59.9 | -63.4 | -176.4 | 171.9 | -0.1 | 110.8 | V118 | V118-R120 PolarHBondContact O-N 3.37Š|
| 121 | P | 84.8 | Confident | 88 | Confident | 117 Ų | 117 | 57.8 Ų | 57.8 | 76% | 0.76 | 33% | 0.33 | S | S | * | . | S | Bend | cis | -65.2 | 160.6 | -10.6 | 30.5 | -35.9 | 0 | 0 | 0 | 112.1 | P123 | P121-P123 WeakPolarHBondContact O-CD 3.43Š|
| 122 | I | 84.9 | Confident | 88.2 | Confident | 100 Ų | 100 | 62.8 Ų | 62.8 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | trans | -60.7 | 123.3 | -176.5 | -60.7 | 173.4 | 0 | 0 | 0 | 109.1 | T124 | I122-T124 PolarHBondContact O-N 3.34Š| ||
| 123 | P | 87.1 | Confident | 88.6 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -82 | 84.9 | -176.3 | 32.9 | -35.5 | 0 | 0 | 0 | 111.6 | K45 L116 T119 P121 N125 T126 C127 | K45-P123 HydrophobicContact CD-CB 4.33Å; K45-P123 HydrophobicContact CD-CG 4.5Å; L116-P123 HydrophobicContact CD2-CG 3.57Å; T119-P123 HydrophobicContact CG2-CG 4.35Å; P121-P123 WeakPolarHBondContact O-CD 3.43Å; P123-N125 VanDerWaalsContact C-N 3.34Å; P123-N125 PolarHBondContact O-N 2.65Å; P123-N125 VanDerWaalsContact O-N 3.16Å; P123-T126 PolarHBondContact O-N 3.45Å; P123-C127 PolarHBondContact O-N 3.39Å; P123-C127 PolarHBondContact O-SG 2.85Å; P123-C127 VanDerWaalsContact O-SG 3.42Å | ||
| 124 | T | 88.8 | Confident | 88.9 | Confident | 91 Ų | 91 | 58 Ų | 58 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -47.4 | -48.5 | -173.4 | -44 | 0 | 0 | 0 | 0 | 113.9 | I122 T126 C127 I128 | I122-T124 PolarHBondContact O-N 3.34Å; T124-T126 PolarHBondContact O-N 3.38Å; T124-C127 WeakPolarHBondContact O-CB 3.34Å; T124-C127 PolarHBondContact O-N 2.9Å; T124-I128 HydrophobicContact CG2-CD1 4.11Å; T124-I128 WeakPolarHBondContact O-CG1 3.49Å; T124-I128 PolarHBondContact O-N 3.34Å |
| 125 | N | 90.6 | Very high | 89.3 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | -179.3 | -63.5 | 0.3 | 0 | 0 | 0 | 112.2 | P123 C127 I128 I129 | P123-N125 VanDerWaalsContact C-N 3.34Å; P123-N125 PolarHBondContact O-N 2.65Å; P123-N125 VanDerWaalsContact O-N 3.16Å; N125-C127 VanDerWaalsContact C-N 3.34Å; N125-I128 PolarHBondContact O-N 2.84Å; N125-I129 VanDerWaalsContact O-CG1 3.31Å; N125-I129 WeakPolarHBondContact O-CG1 3.49Å; N125-I129 PolarHBondContact O-N 3.25Å; N125-I129 VanDerWaalsContact O-N 3.09Å |
| 126 | T | 90.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69 | -36.6 | 177.6 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | V42 K45 L116 P123 T124 I129 A130 | V42-T126 HydrophobicContact CG2-CG2 3.67Å; K45-T126 WeakPolarHBondContact CE-OG1 3.33Å; L116-T126 HydrophobicContact CD2-CG2 3.59Å; P123-T126 PolarHBondContact O-N 3.45Å; T124-T126 PolarHBondContact O-N 3.38Å; T126-I129 PolarHBondContact O-N 2.95Å; T126-A130 VanDerWaalsContact O-CB 3.25Å; T126-A130 WeakPolarHBondContact O-CB 3.46Å; T126-A130 PolarHBondContact O-N 3.08Å |
| 127 | C | 91.4 | Very high | 90.2 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 174.1 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | P123 T124 N125 A130 G131 | P123-C127 PolarHBondContact O-N 3.39Å; P123-C127 PolarHBondContact O-SG 2.85Å; P123-C127 VanDerWaalsContact O-SG 3.42Å; T124-C127 WeakPolarHBondContact O-CB 3.34Å; T124-C127 PolarHBondContact O-N 2.9Å; N125-C127 VanDerWaalsContact C-N 3.34Å; C127-A130 PolarHBondContact O-N 3.25Å; C127-G131 PolarHBondContact O-N 3.14Å |
| 128 | I | 93.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 176.5 | -67.7 | 165.3 | 0 | 0 | 0 | 110.3 | T124 N125 A130 G131 L132 | T124-I128 HydrophobicContact CG2-CD1 4.11Å; T124-I128 WeakPolarHBondContact O-CG1 3.49Å; T124-I128 PolarHBondContact O-N 3.34Å; N125-I128 PolarHBondContact O-N 2.84Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.88Å; I128-G131 PolarHBondContact O-N 2.97Å; I128-L132 HydrophobicContact CG2-CD1 4.14Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.37Å |
| 129 | I | 93.6 | Very high | 91.2 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 179.4 | -65.9 | 169.6 | 0 | 0 | 0 | 110.8 | I37 Q38 Y41 N125 T126 L132 A133 | I37-I129 HydrophobicContact CG2-CG2 4.25Å; Q38-I129 HydrophobicContact CB-CG2 4.16Å; Y41-I129 HydrophobicContact CD1-CD1 4.06Å; Y41-I129 HydrophobicContact CD2-CD1 3.58Å; Y41-I129 HydrophobicContact CD2-CG2 4.45Å; Y41-I129 HydrophobicContact CE1-CD1 3.92Å; Y41-I129 HydrophobicContact CE2-CD1 3.45Å; Y41-I129 VanDerWaalsContact CE2-CD1 3.45Å; Y41-I129 HydrophobicContact CG-CD1 3.9Å; N125-I129 VanDerWaalsContact O-CG1 3.31Å; N125-I129 WeakPolarHBondContact O-CG1 3.49Å; N125-I129 PolarHBondContact O-N 3.25Å; N125-I129 VanDerWaalsContact O-N 3.09Å; T126-I129 PolarHBondContact O-N 2.95Å; I129-L132 PolarHBondContact O-N 2.56Å; I129-A133 WeakPolarHBondContact O-CB 3.43Å; I129-A133 PolarHBondContact O-N 3.4Å |
| 130 | A | 92.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q38 L116 T126 C127 I128 G134 | Q38-A130 HydrophobicContact CG-CB 3.97Å; L116-A130 HydrophobicContact CD1-CB 3.63Å; T126-A130 VanDerWaalsContact O-CB 3.25Å; T126-A130 WeakPolarHBondContact O-CB 3.46Å; T126-A130 PolarHBondContact O-N 3.08Å; C127-A130 PolarHBondContact O-N 3.25Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.88Å; A130-G134 PolarHBondContact O-N 3.32Å |
| 131 | G | 93.6 | Very high | 92 | Very high | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C127 I128 G134 S135 | C127-G131 PolarHBondContact O-N 3.14Å; I128-G131 PolarHBondContact O-N 2.97Å; G131-G134 PolarHBondContact O-N 3.26Å; G131-S135 WeakPolarHBondContact O-CB 3.49Å; G131-S135 PolarHBondContact O-N 2.89Å; G131-S135 PolarHBondContact O-OG 3.42Å |
| 132 | L | 94.7 | Very high | 92.3 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 63% | 0.634 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 177.8 | -70.2 | 173.2 | 0 | 0 | 0 | 112.2 | I128 I129 S135 A136 | I128-L132 HydrophobicContact CG2-CD1 4.14Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.37Å; I129-L132 PolarHBondContact O-N 2.56Å; L132-S135 PolarHBondContact O-N 2.9Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 3.34Å |
| 133 | A | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A34 Q38 I129 A136 I137 | A34-A133 HydrophobicContact CB-CB 4.12Å; Q38-A133 HydrophobicContact CB-CB 3.83Å; Q38-A133 HydrophobicContact CG-CB 4.04Å; I129-A133 WeakPolarHBondContact O-CB 3.43Å; I129-A133 PolarHBondContact O-N 3.4Å; A133-A136 PolarHBondContact O-N 3.03Å; A133-I137 WeakPolarHBondContact O-CB 3.31Å; A133-I137 WeakPolarHBondContact O-CD1 3.31Å; A133-I137 VanDerWaalsContact O-CG1 3.3Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.97Å |
| 134 | G | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 12% | 0.124 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A130 G131 A136 I137 L138 | A130-G134 PolarHBondContact O-N 3.32Å; G131-G134 PolarHBondContact O-N 3.26Å; G134-A136 PolarHBondContact O-N 2.98Å; G134-I137 PolarHBondContact O-N 3.38Å; G134-L138 WeakPolarHBondContact O-CB 3.29Å; G134-L138 VanDerWaalsContact O-CG 3.28Å; G134-L138 WeakPolarHBondContact O-CG 3.35Å; G134-L138 PolarHBondContact O-N 3.03Å |
| 135 | S | 95.3 | Very high | 93 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | G131 L132 L138 Y139 | G131-S135 WeakPolarHBondContact O-CB 3.49Å; G131-S135 PolarHBondContact O-N 2.89Å; G131-S135 PolarHBondContact O-OG 3.42Å; L132-S135 PolarHBondContact O-N 2.9Å; S135-L138 PolarHBondContact O-N 3.48Å; S135-Y139 VanDerWaalsContact O-CB 3.24Å; S135-Y139 WeakPolarHBondContact O-CB 3.47Å; S135-Y139 PolarHBondContact O-N 3.34Å |
| 136 | A | 94.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L132 A133 G134 Y139 T140 | L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 3.34Å; A133-A136 PolarHBondContact O-N 3.03Å; G134-A136 PolarHBondContact O-N 2.98Å; A136-Y139 PolarHBondContact O-N 2.91Å; A136-T140 PolarHBondContact O-N 3.44Å; A136-T140 PolarHBondContact O-OG1 3.18Å |
| 137 | I | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 177.9 | -70.2 | 163.4 | 0 | 0 | 0 | 111.3 | C31 L35 M105 M106 L109 A133 G134 T140 T141 | C31-I137 HydrophobicContact CB-CG1 3.89Å; L35-I137 HydrophobicContact CB-CD1 4.38Å; L35-I137 HydrophobicContact CD1-CD1 4.18Å; M105-I137 HydrophobicContact CB-CD1 4.22Å; M105-I137 HydrophobicContact CB-CG2 3.95Å; M105-I137 HydrophobicContact SD-CD1 4.49Å; M105-I137 HydrophobicContact SD-CG1 4.12Å; M105-I137 HydrophobicContact SD-CG2 4.28Å; M106-I137 HydrophobicContact SD-CG2 4.06Å; L109-I137 HydrophobicContact CD1-CB 3.94Å; L109-I137 HydrophobicContact CD1-CD1 3.63Å; L109-I137 HydrophobicContact CD1-CG1 4.38Å; L109-I137 HydrophobicContact CD1-CG2 3.82Å; L109-I137 HydrophobicContact CD2-CD1 4.13Å; L109-I137 HydrophobicContact CG-CD1 3.99Å; A133-I137 WeakPolarHBondContact O-CB 3.31Å; A133-I137 WeakPolarHBondContact O-CD1 3.31Å; A133-I137 VanDerWaalsContact O-CG1 3.3Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.97Å; G134-I137 PolarHBondContact O-N 3.38Å; I137-T140 VanDerWaalsContact C-OG1 3.3Å; I137-T140 VanDerWaalsContact CA-OG1 3.27Å; I137-T140 WeakPolarHBondContact CA-OG1 3.33Å; I137-T140 PolarHBondContact O-OG1 2.88Å; I137-T141 VanDerWaalsContact O-CB 3.29Å; I137-T141 WeakPolarHBondContact O-CB 3.42Å; I137-T141 PolarHBondContact O-N 2.94Å; I137-T141 PolarHBondContact O-OG1 3.41Å |
| 138 | L | 94.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.6 | -72.1 | 172.2 | 0 | 0 | 0 | 111.7 | M106 G134 S135 T141 K142 | M106-L138 HydrophobicContact CE-CD2 4.04Å; M106-L138 HydrophobicContact SD-CD2 4.25Å; G134-L138 WeakPolarHBondContact O-CB 3.29Å; G134-L138 VanDerWaalsContact O-CG 3.28Å; G134-L138 WeakPolarHBondContact O-CG 3.35Å; G134-L138 PolarHBondContact O-N 3.03Å; S135-L138 PolarHBondContact O-N 3.48Å; L138-T141 PolarHBondContact O-N 3.16Å; L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 2.97Å |
| 139 | Y | 94.6 | Very high | 93.6 | Very high | 135 Ų | 135 | 57 Ų | 57 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.4 | 179.6 | -96.8 | 0 | 0 | 0 | 112 | S135 A136 K142 Q143 | S135-Y139 VanDerWaalsContact O-CB 3.24Å; S135-Y139 WeakPolarHBondContact O-CB 3.47Å; S135-Y139 PolarHBondContact O-N 3.34Å; A136-Y139 PolarHBondContact O-N 2.91Å; Y139-K142 PolarHBondContact O-N 3.26Å; Y139-Q143 HydrophobicContact CE1-CG 4.23Å; Y139-Q143 WeakPolarHBondContact O-CG 3.47Å; Y139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | T | 91.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -50.2 | 173.6 | 37 | 0 | 0 | 0 | 0 | 111.4 | Q27 C31 A136 I137 K142 Q143 T144 | Q27-T140 HydrophobicContact CB-CG2 4Å; Q27-T140 HydrophobicContact CG-CG2 3.34Å; C31-T140 WeakPolarHBondContact SG-CG2 3.3Å; C31-T140 PolarHBondContact SG-OG1 3.42Å; A136-T140 PolarHBondContact O-N 3.44Å; A136-T140 PolarHBondContact O-OG1 3.18Å; I137-T140 VanDerWaalsContact C-OG1 3.3Å; I137-T140 VanDerWaalsContact CA-OG1 3.27Å; I137-T140 WeakPolarHBondContact CA-OG1 3.33Å; I137-T140 PolarHBondContact O-OG1 2.88Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.46Å; T140-Q143 PolarHBondContact O-N 3.41Å; T140-T144 WeakPolarHBondContact O-CG2 3.38Å; T140-T144 PolarHBondContact O-N 3.08Å; T140-T144 PolarHBondContact O-OG1 2.95Å; T140-T144 VanDerWaalsContact O-OG1 3.04Å |
| 141 | T | 90.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -45.7 | -179.3 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | I102 I137 L138 Q143 T144 L145 V150 | I102-T141 HydrophobicContact CD1-CG2 4.42Å; I102-T141 HydrophobicContact CG2-CG2 3.85Å; I102-T141 WeakPolarHBondContact CG2-OG1 3.27Å; I137-T141 VanDerWaalsContact O-CB 3.29Å; I137-T141 WeakPolarHBondContact O-CB 3.42Å; I137-T141 PolarHBondContact O-N 2.94Å; I137-T141 PolarHBondContact O-OG1 3.41Å; L138-T141 PolarHBondContact O-N 3.16Å; T141-Q143 VanDerWaalsContact C-N 3.29Å; T141-Q143 PolarHBondContact O-N 2.89Å; T141-T144 PolarHBondContact O-N 3.31Å; T141-L145 HydrophobicContact CG2-CD1 3.95Å; T141-L145 HydrophobicContact CG2-CG 4.35Å; T141-L145 PolarHBondContact O-N 3.31Å; T141-V150 HydrophobicContact CG2-CG2 4.28Å |
| 142 | K | 91.7 | Very high | 93.9 | Very high | 170 Ų | 170 | 60.9 Ų | 60.9 | 74% | 0.739 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -34.9 | 178.1 | -178 | -179.5 | 177.1 | -178.4 | 0 | 113.2 | L138 Y139 T140 | L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 2.97Å; Y139-K142 PolarHBondContact O-N 3.26Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.46Å |
| 143 | Q | 91.1 | Very high | 93.9 | Very high | 115 Ų | 115 | 55.6 Ų | 55.6 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -82.2 | -26.9 | -177.9 | -67.9 | -65.5 | -15.1 | 0 | 0 | 112.8 | Y139 T140 T141 | Y139-Q143 HydrophobicContact CE1-CG 4.23Å; Y139-Q143 WeakPolarHBondContact O-CG 3.47Å; Y139-Q143 PolarHBondContact O-N 3.29Å; T140-Q143 PolarHBondContact O-N 3.41Å; T141-Q143 VanDerWaalsContact C-N 3.29Å; T141-Q143 PolarHBondContact O-N 2.89Å |
| 144 | T | 89.8 | Confident | 94 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -106.9 | -38.4 | -169.1 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | H28 R95 T140 T141 | H28-T144 VanDerWaalsContact CE1-CG2 3.41Å; H28-T144 WeakPolarHBondContact CE1-CG2 3.36Å; H28-T144 PolarHBondContact CE1-OG1 3.38Å; H28-T144 WeakPolarHBondContact NE2-CG2 3.47Å; R95-T144 PolarHBondContact NH1-O 3.15Å; T140-T144 WeakPolarHBondContact O-CG2 3.38Å; T140-T144 PolarHBondContact O-N 3.08Å; T140-T144 PolarHBondContact O-OG1 2.95Å; T140-T144 VanDerWaalsContact O-OG1 3.04Å; T141-T144 PolarHBondContact O-N 3.31Å |
| 145 | L | 94.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | trans | -87.2 | 144.1 | -176.1 | -66 | -169 | 0 | 0 | 0 | 111.9 | M98 I102 T141 E149 V150 V153 | M98-L145 HydrophobicContact CB-CD2 4.25Å; I102-L145 HydrophobicContact CB-CD1 4.16Å; I102-L145 HydrophobicContact CD1-CD1 3.56Å; I102-L145 HydrophobicContact CD1-CD2 3.77Å; I102-L145 HydrophobicContact CD1-CG 3.44Å; I102-L145 VanDerWaalsContact CD1-CG 3.44Å; I102-L145 HydrophobicContact CG1-CD1 4.45Å; I102-L145 HydrophobicContact CG2-CD1 3.97Å; T141-L145 HydrophobicContact CG2-CD1 3.95Å; T141-L145 HydrophobicContact CG2-CG 4.35Å; T141-L145 PolarHBondContact O-N 3.31Å; L145-E149 VanDerWaalsContact CA-OE2 3.28Å; L145-E149 WeakPolarHBondContact CA-OE2 3.23Å; L145-E149 HydrophobicContact CB-CB 3.94Å; L145-E149 HydrophobicContact CD1-CB 4.23Å; L145-E149 HydrophobicContact CD2-CB 4.03Å; L145-E149 WeakPolarHBondContact CD2-OE2 3.1Å; L145-E149 HydrophobicContact CG-CB 4.29Å; L145-V150 HydrophobicContact CB-CG2 3.76Å; L145-V150 HydrophobicContact CD1-CG2 4.37Å; L145-V153 HydrophobicContact CD1-CG2 3.83Å | ||
| 146 | T | 95.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | trans | -72.9 | 164.8 | 167 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | S148 E149 V150 | T146-S148 VanDerWaalsContact C-N 3.27Å; T146-S148 PolarHBondContact O-N 2.81Å; T146-S148 PolarHBondContact OG1-OG 2.92Å; T146-S148 VanDerWaalsContact OG1-OG 3.05Å; T146-E149 PolarHBondContact N-OE2 2.76Å; T146-E149 PolarHBondContact O-N 3.48Å; T146-E149 VanDerWaalsContact O-N 3.16Å; T146-E149 VanDerWaalsContact OG1-CG 3.28Å; T146-E149 WeakPolarHBondContact OG1-CG 3.34Å; T146-E149 PolarHBondContact OG1-N 2.98Å; T146-E149 PolarHBondContact OG1-OE2 3.08Å; T146-V150 WeakPolarHBondContact O-CG2 3.34Å; T146-V150 PolarHBondContact O-N 3.17Å | ||
| 147 | V | 94.2 | Very high | 94.3 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 70% | 0.703 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.1 | -40.2 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | V150 I151 | V147-V150 PolarHBondContact O-N 2.97Å; V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 VanDerWaalsContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG1 3.38Å; V147-I151 PolarHBondContact O-N 2.8Å |
| 148 | S | 93.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 64 Ų | 64 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -37.4 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | T146 I151 E152 | T146-S148 VanDerWaalsContact C-N 3.27Å; T146-S148 PolarHBondContact O-N 2.81Å; T146-S148 PolarHBondContact OG1-OG 2.92Å; T146-S148 VanDerWaalsContact OG1-OG 3.05Å; S148-I151 PolarHBondContact O-N 3.16Å; S148-E152 PolarHBondContact O-N 3.19Å |
| 149 | E | 95.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 174.8 | -70.2 | 166.9 | 171.5 | 0 | 0 | 111.5 | R95 V99 L145 T146 E152 V153 | R95-E149 VanDerWaalsContact CD-OE1 3.28Å; R95-E149 WeakPolarHBondContact CD-OE1 3.44Å; R95-E149 IonicContact CZ-OE1 3.71Å; R95-E149 IonicContact CZ-OE2 3.85Å; R95-E149 IonicContact NE-OE1 3.54Å; R95-E149 IonicContact NH1-OE1 3.52Å; R95-E149 IonicContact NH1-OE2 3.04Å; R95-E149 PolarHBondContact NH1-OE2 3.34Å; V99-E149 HydrophobicContact CG2-CB 3.96Å; V99-E149 HydrophobicContact CG2-CG 3.89Å; L145-E149 VanDerWaalsContact CA-OE2 3.28Å; L145-E149 WeakPolarHBondContact CA-OE2 3.23Å; L145-E149 HydrophobicContact CB-CB 3.94Å; L145-E149 HydrophobicContact CD1-CB 4.23Å; L145-E149 HydrophobicContact CD2-CB 4.03Å; L145-E149 WeakPolarHBondContact CD2-OE2 3.1Å; L145-E149 HydrophobicContact CG-CB 4.29Å; T146-E149 PolarHBondContact N-OE2 2.76Å; T146-E149 PolarHBondContact O-N 3.48Å; T146-E149 VanDerWaalsContact O-N 3.16Å; T146-E149 VanDerWaalsContact OG1-CG 3.28Å; T146-E149 WeakPolarHBondContact OG1-CG 3.34Å; T146-E149 PolarHBondContact OG1-N 2.98Å; T146-E149 PolarHBondContact OG1-OE2 3.08Å; E149-E152 VanDerWaalsContact O-CB 3.32Å; E149-E152 WeakPolarHBondContact O-CB 3.11Å; E149-E152 PolarHBondContact O-N 2.92Å; E149-V153 WeakPolarHBondContact O-CG2 3.27Å; E149-V153 PolarHBondContact O-N 3.24Å; E149-V153 VanDerWaalsContact O-N 3.07Å |
| 150 | V | 95.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | T141 L145 T146 V147 E152 V153 L154 | T141-V150 HydrophobicContact CG2-CG2 4.28Å; L145-V150 HydrophobicContact CB-CG2 3.76Å; L145-V150 HydrophobicContact CD1-CG2 4.37Å; T146-V150 WeakPolarHBondContact O-CG2 3.34Å; T146-V150 PolarHBondContact O-N 3.17Å; V147-V150 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact C-N 3.26Å; V150-E152 PolarHBondContact O-N 3.26Å; V150-V153 PolarHBondContact O-N 3.02Å; V150-L154 PolarHBondContact O-N 2.86Å |
| 151 | I | 94.6 | Very high | 94.8 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 173.9 | -69.4 | 165.1 | 0 | 0 | 0 | 109.8 | V147 S148 V153 L154 E155 | V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 VanDerWaalsContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG1 3.38Å; V147-I151 PolarHBondContact O-N 2.8Å; S148-I151 PolarHBondContact O-N 3.16Å; I151-V153 PolarHBondContact O-N 3.23Å; I151-L154 PolarHBondContact O-N 3.27Å; I151-L154 VanDerWaalsContact O-N 3.14Å; I151-E155 HydrophobicContact CG2-CG 4.18Å; I151-E155 WeakPolarHBondContact CG2-OE1 3.23Å; I151-E155 VanDerWaalsContact O-CG 3.3Å; I151-E155 WeakPolarHBondContact O-CG 3.47Å; I151-E155 PolarHBondContact O-N 3.28Å |
| 152 | E | 95.3 | Very high | 95 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 176.4 | -171 | 160.5 | 158.6 | 0 | 0 | 113.3 | V99 S148 E149 V150 L154 E155 V156 N192 Q193 K196 | V99-E152 HydrophobicContact CG1-CB 4.36Å; V99-E152 HydrophobicContact CG1-CG 3.94Å; S148-E152 PolarHBondContact O-N 3.19Å; E149-E152 VanDerWaalsContact O-CB 3.32Å; E149-E152 WeakPolarHBondContact O-CB 3.11Å; E149-E152 PolarHBondContact O-N 2.92Å; V150-E152 VanDerWaalsContact C-N 3.26Å; V150-E152 PolarHBondContact O-N 3.26Å; E152-L154 VanDerWaalsContact C-N 3.27Å; E152-L154 PolarHBondContact O-N 3.25Å; E152-E155 PolarHBondContact O-N 2.64Å; E152-V156 WeakPolarHBondContact O-CG2 3.42Å; E152-V156 PolarHBondContact O-N 2.79Å; E152-N192 WeakPolarHBondContact CG-ND2 3.43Å; E152-Q193 PolarHBondContact OE1-NE2 2.93Å; E152-K196 IonicContact OE2-NZ 3.18Å; E152-K196 PolarHBondContact OE2-NZ 2.94Å |
| 153 | V | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | V99 I102 M106 L145 E149 V150 I151 L157 | V99-V153 HydrophobicContact CG1-CG2 4.2Å; I102-V153 HydrophobicContact CG2-CG1 4.25Å; I102-V153 HydrophobicContact CG2-CG2 4.06Å; M106-V153 HydrophobicContact CB-CG1 4.16Å; M106-V153 HydrophobicContact CG-CG1 3.85Å; L145-V153 HydrophobicContact CD1-CG2 3.83Å; E149-V153 WeakPolarHBondContact O-CG2 3.27Å; E149-V153 PolarHBondContact O-N 3.24Å; E149-V153 VanDerWaalsContact O-N 3.07Å; V150-V153 PolarHBondContact O-N 3.02Å; I151-V153 PolarHBondContact O-N 3.23Å; V153-L157 WeakPolarHBondContact O-CB 3.24Å; V153-L157 PolarHBondContact O-N 3.12Å |
| 154 | L | 96.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 50.4 Ų | 50.4 | 59% | 0.586 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.9 | -40.3 | 179.4 | -175.1 | 61 | 0 | 0 | 0 | 112.5 | V150 I151 E152 L157 L158 | V150-L154 PolarHBondContact O-N 2.86Å; I151-L154 PolarHBondContact O-N 3.27Å; I151-L154 VanDerWaalsContact O-N 3.14Å; E152-L154 VanDerWaalsContact C-N 3.27Å; E152-L154 PolarHBondContact O-N 3.25Å; L154-L157 PolarHBondContact O-N 3.42Å; L154-L158 WeakPolarHBondContact O-CB 2.93Å; L154-L158 PolarHBondContact O-N 3.03Å |
| 155 | E | 96.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 174.6 | -72.6 | 167.3 | 162.8 | 0 | 0 | 110.7 | I151 E152 L157 L158 I159 N192 K196 | I151-E155 HydrophobicContact CG2-CG 4.18Å; I151-E155 WeakPolarHBondContact CG2-OE1 3.23Å; I151-E155 VanDerWaalsContact O-CG 3.3Å; I151-E155 WeakPolarHBondContact O-CG 3.47Å; I151-E155 PolarHBondContact O-N 3.28Å; E152-E155 PolarHBondContact O-N 2.64Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.42Å; E155-L158 PolarHBondContact O-N 2.75Å; E155-I159 VanDerWaalsContact O-CG1 3.27Å; E155-I159 WeakPolarHBondContact O-CG1 3.19Å; E155-I159 PolarHBondContact O-N 2.98Å; E155-N192 WeakPolarHBondContact CB-OD1 3.47Å; E155-K196 WeakPolarHBondContact OE2-CE 3.34Å; E155-K196 IonicContact OE2-NZ 3.46Å; E155-K196 PolarHBondContact OE2-NZ 3.45Å |
| 156 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | T103 E152 L158 I159 F160 F189 N192 | T103-V156 HydrophobicContact CG2-CB 3.99Å; T103-V156 HydrophobicContact CG2-CG1 3.54Å; E152-V156 WeakPolarHBondContact O-CG2 3.42Å; E152-V156 PolarHBondContact O-N 2.79Å; V156-L158 PolarHBondContact O-N 2.95Å; V156-I159 PolarHBondContact O-N 3.3Å; V156-F160 WeakPolarHBondContact O-CB 3.22Å; V156-F160 PolarHBondContact O-N 2.89Å; V156-F189 HydrophobicContact CG1-CB 4.32Å; V156-F189 HydrophobicContact CG1-CD2 4.4Å; V156-F189 HydrophobicContact CG2-CD2 4.09Å; V156-N192 HydrophobicContact CG2-CB 3.66Å |
| 157 | L | 96.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.4 | -179.5 | 63.3 | 0 | 0 | 0 | 111.5 | L107 F110 V153 L154 E155 F160 V161 | L107-L157 HydrophobicContact CD2-CD1 3.86Å; F110-L157 HydrophobicContact CB-CD1 3.84Å; F110-L157 HydrophobicContact CD1-CD1 4.27Å; F110-L157 HydrophobicContact CD2-CD1 4.31Å; F110-L157 HydrophobicContact CG-CD1 3.87Å; V153-L157 WeakPolarHBondContact O-CB 3.24Å; V153-L157 PolarHBondContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.42Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.42Å; L157-F160 WeakPolarHBondContact O-CB 3.11Å; L157-F160 PolarHBondContact O-N 2.86Å; L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.19Å |
| 158 | L | 97.1 | Very high | 95.2 | Very high | 97 Ų | 97 | 49 Ų | 49 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 178 | -173.7 | 65.9 | 0 | 0 | 0 | 111.3 | L154 E155 V156 F160 V161 Y162 | L154-L158 WeakPolarHBondContact O-CB 2.93Å; L154-L158 PolarHBondContact O-N 3.03Å; E155-L158 PolarHBondContact O-N 2.75Å; V156-L158 PolarHBondContact O-N 2.95Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.21Å; L158-V161 PolarHBondContact O-N 3.42Å; L158-Y162 HydrophobicContact CD1-CD2 4.04Å; L158-Y162 HydrophobicContact CD1-CE2 3.46Å; L158-Y162 VanDerWaalsContact CD1-CE2 3.46Å; L158-Y162 HydrophobicContact CD2-CE2 4.32Å; L158-Y162 HydrophobicContact CG-CD2 3.96Å; L158-Y162 HydrophobicContact CG-CE2 3.68Å; L158-Y162 VanDerWaalsContact O-CD2 3.22Å; L158-Y162 WeakPolarHBondContact O-CD2 3.32Å; L158-Y162 PolarHBondContact O-N 3.5Å; L158-Y162 VanDerWaalsContact O-N 3.14Å |
| 159 | I | 97.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.4 | -67.2 | 166.3 | 0 | 0 | 0 | 110.2 | E155 V156 V161 Y162 L163 L191 N192 I195 | E155-I159 VanDerWaalsContact O-CG1 3.27Å; E155-I159 WeakPolarHBondContact O-CG1 3.19Å; E155-I159 PolarHBondContact O-N 2.98Å; V156-I159 PolarHBondContact O-N 3.3Å; I159-V161 PolarHBondContact O-N 3.48Å; I159-Y162 PolarHBondContact O-N 3.38Å; I159-L163 WeakPolarHBondContact O-CB 3.3Å; I159-L163 PolarHBondContact O-N 3.41Å; I159-L191 HydrophobicContact CG2-CD2 3.76Å; I159-L191 HydrophobicContact CG2-CG 4.46Å; I159-N192 HydrophobicContact CD1-CB 3.87Å; I159-I195 HydrophobicContact CD1-CD1 4.48Å |
| 160 | F | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.6 | 173.4 | -97.4 | 0 | 0 | 0 | 112.8 | L107 F110 V156 L157 L158 L163 C164 L181 V184 S188 | L107-F160 HydrophobicContact CD2-CB 3.58Å; L107-F160 HydrophobicContact CD2-CD1 3.5Å; L107-F160 HydrophobicContact CD2-CD2 3.86Å; L107-F160 HydrophobicContact CD2-CE1 4.11Å; L107-F160 HydrophobicContact CD2-CE2 4.41Å; L107-F160 HydrophobicContact CD2-CG 3.36Å; F110-F160 HydrophobicContact CD1-CD1 4.24Å; F110-F160 AromaticContact CD1-CE1 3.94Å; F110-F160 HydrophobicContact CD1-CE1 3.94Å; F110-F160 HydrophobicContact CE1-CD1 4.43Å; F110-F160 HydrophobicContact CE1-CE1 4.23Å; V156-F160 WeakPolarHBondContact O-CB 3.22Å; V156-F160 PolarHBondContact O-N 2.89Å; L157-F160 WeakPolarHBondContact O-CB 3.11Å; L157-F160 PolarHBondContact O-N 2.86Å; L158-F160 VanDerWaalsContact C-N 3.28Å; L158-F160 PolarHBondContact O-N 3.21Å; F160-L163 PolarHBondContact O-N 3.25Å; F160-C164 WeakPolarHBondContact CZ-SG 3.27Å; F160-C164 WeakPolarHBondContact O-CB 3.45Å; F160-C164 PolarHBondContact O-N 3.2Å; F160-C164 PolarHBondContact O-SG 3.07Å; F160-L181 HydrophobicContact CE2-CD1 4.33Å; F160-L181 HydrophobicContact CZ-CD1 4Å; F160-V184 HydrophobicContact CD2-CB 4.02Å; F160-V184 HydrophobicContact CD2-CG1 3.59Å; F160-V184 HydrophobicContact CE2-CB 3.86Å; F160-V184 HydrophobicContact CE2-CG1 3.86Å; F160-V184 HydrophobicContact CG-CG1 4.46Å; F160-S188 WeakPolarHBondContact CA-OG 3.23Å; F160-S188 PolarHBondContact N-OG 2.72Å |
| 161 | V | 95.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 26% | 0.255 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -53 | 178 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F110 L157 L158 I159 L163 C164 L165 | F110-V161 HydrophobicContact CD1-CG2 4.35Å; F110-V161 HydrophobicContact CE1-CG2 3.56Å; F110-V161 HydrophobicContact CE2-CG2 3.97Å; F110-V161 HydrophobicContact CZ-CG1 4.47Å; F110-V161 HydrophobicContact CZ-CG2 3.35Å; L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.19Å; L158-V161 PolarHBondContact O-N 3.42Å; I159-V161 PolarHBondContact O-N 3.48Å; V161-L163 VanDerWaalsContact C-N 3.33Å; V161-L163 PolarHBondContact O-N 2.97Å; V161-C164 WeakPolarHBondContact O-CB 3.35Å; V161-C164 PolarHBondContact O-N 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 2.98Å; V161-L165 VanDerWaalsContact O-N 3.07Å |
| 162 | Y | 95.1 | Very high | 94.6 | Very high | 141 Ų | 141 | 51.1 Ų | 51.1 | 55% | 0.553 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 179.7 | -75 | -66.1 | 0 | 0 | 0 | 112.3 | L158 I159 C164 L165 I166 | L158-Y162 HydrophobicContact CD1-CD2 4.04Å; L158-Y162 HydrophobicContact CD1-CE2 3.46Å; L158-Y162 VanDerWaalsContact CD1-CE2 3.46Å; L158-Y162 HydrophobicContact CD2-CE2 4.32Å; L158-Y162 HydrophobicContact CG-CD2 3.96Å; L158-Y162 HydrophobicContact CG-CE2 3.68Å; L158-Y162 VanDerWaalsContact O-CD2 3.22Å; L158-Y162 WeakPolarHBondContact O-CD2 3.32Å; L158-Y162 PolarHBondContact O-N 3.5Å; L158-Y162 VanDerWaalsContact O-N 3.14Å; I159-Y162 PolarHBondContact O-N 3.38Å; Y162-C164 VanDerWaalsContact C-N 3.34Å; Y162-C164 PolarHBondContact O-N 2.63Å; Y162-L165 HydrophobicContact CD1-CD1 4.45Å; Y162-L165 WeakPolarHBondContact O-CB 3.12Å; Y162-L165 PolarHBondContact O-N 2.79Å; Y162-I166 WeakPolarHBondContact O-CG1 3.38Å; Y162-I166 PolarHBondContact O-N 3.47Å; Y162-I166 VanDerWaalsContact O-N 3.09Å |
| 163 | L | 95.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 179.1 | -170.1 | 62 | 0 | 0 | 0 | 111.4 | I159 F160 V161 I166 V167 V184 I187 L221 | I159-L163 WeakPolarHBondContact O-CB 3.3Å; I159-L163 PolarHBondContact O-N 3.41Å; F160-L163 PolarHBondContact O-N 3.25Å; V161-L163 VanDerWaalsContact C-N 3.33Å; V161-L163 PolarHBondContact O-N 2.97Å; L163-I166 PolarHBondContact O-N 2.92Å; L163-V167 HydrophobicContact CD1-CG2 3.52Å; L163-V167 HydrophobicContact CG-CG2 3.79Å; L163-V167 VanDerWaalsContact O-CB 3.23Å; L163-V167 WeakPolarHBondContact O-CB 3.33Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.33Å; L163-V167 PolarHBondContact O-N 3.4Å; L163-V184 HydrophobicContact CB-CG1 3.8Å; L163-V184 HydrophobicContact CD2-CG1 3.79Å; L163-V184 HydrophobicContact CG-CG1 3.75Å; L163-I187 HydrophobicContact CD2-CB 3.93Å; L163-I187 HydrophobicContact CD2-CG2 3.47Å; L163-I187 VanDerWaalsContact CD2-CG2 3.47Å; L163-L221 HydrophobicContact CD1-CD1 4.23Å; L163-L221 HydrophobicContact CD1-CD2 3.91Å; L163-L221 HydrophobicContact CD2-CD2 4.35Å |
| 164 | C | 94 | Very high | 94.2 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 171.2 | -76.3 | 0 | 0 | 0 | 0 | 111.8 | F160 V161 Y162 I166 L168 V184 | F160-C164 WeakPolarHBondContact CZ-SG 3.27Å; F160-C164 WeakPolarHBondContact O-CB 3.45Å; F160-C164 PolarHBondContact O-N 3.2Å; F160-C164 PolarHBondContact O-SG 3.07Å; V161-C164 WeakPolarHBondContact O-CB 3.35Å; V161-C164 PolarHBondContact O-N 3.28Å; Y162-C164 VanDerWaalsContact C-N 3.34Å; Y162-C164 PolarHBondContact O-N 2.63Å; C164-I166 VanDerWaalsContact C-N 3.27Å; C164-I166 PolarHBondContact O-N 2.67Å; C164-L168 HydrophobicContact CB-CD1 4.13Å; C164-L168 WeakPolarHBondContact O-CB 3.43Å; C164-L168 WeakPolarHBondContact O-CG 3.41Å; C164-L168 PolarHBondContact O-N 3.19Å; C164-V184 VanDerWaalsContact SG-CG1 3.59Å |
| 165 | L | 93 | Very high | 94.1 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 178.6 | -66.2 | 177.5 | 0 | 0 | 0 | 111.7 | F57 V161 Y162 Y169 | F57-L165 HydrophobicContact CZ-CD2 3.83Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 2.98Å; V161-L165 VanDerWaalsContact O-N 3.07Å; Y162-L165 HydrophobicContact CD1-CD1 4.45Å; Y162-L165 WeakPolarHBondContact O-CB 3.12Å; Y162-L165 PolarHBondContact O-N 2.79Å; L165-Y169 WeakPolarHBondContact O-CB 3.42Å |
| 166 | I | 92.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 48 Ų | 48 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.4 | -56.7 | 179.6 | -63.7 | 166.6 | 0 | 0 | 0 | 110.7 | Y162 L163 C164 Y169 L170 V225 | Y162-I166 WeakPolarHBondContact O-CG1 3.38Å; Y162-I166 PolarHBondContact O-N 3.47Å; Y162-I166 VanDerWaalsContact O-N 3.09Å; L163-I166 PolarHBondContact O-N 2.92Å; C164-I166 VanDerWaalsContact C-N 3.27Å; C164-I166 PolarHBondContact O-N 2.67Å; I166-Y169 PolarHBondContact O-N 3.47Å; I166-L170 HydrophobicContact CG2-CD1 3.71Å; I166-L170 HydrophobicContact CG2-CG 4.44Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 3.22Å; I166-V225 HydrophobicContact CG2-CG1 4.35Å; I166-V225 HydrophobicContact CG2-CG2 4.13Å |
| 167 | V | 92.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -45.3 | -170.7 | 173 | 0 | 0 | 0 | 0 | 111.6 | L163 Y169 L170 L171 F175 V184 | L163-V167 HydrophobicContact CD1-CG2 3.52Å; L163-V167 HydrophobicContact CG-CG2 3.79Å; L163-V167 VanDerWaalsContact O-CB 3.23Å; L163-V167 WeakPolarHBondContact O-CB 3.33Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.33Å; L163-V167 PolarHBondContact O-N 3.4Å; V167-Y169 VanDerWaalsContact C-N 3.25Å; V167-Y169 PolarHBondContact O-N 2.68Å; V167-L170 PolarHBondContact O-N 2.74Å; V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 3.48Å; V167-L171 PolarHBondContact O-N 3.46Å; V167-F175 HydrophobicContact CG1-CE2 3.79Å; V167-F175 HydrophobicContact CG1-CZ 4.4Å; V167-V184 HydrophobicContact CG1-CG2 4.34Å |
| 168 | L | 92.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.3 | -20.7 | -178.1 | -58.6 | 179 | 0 | 0 | 0 | 112.7 | F57 F59 C164 F175 A180 | F57-L168 HydrophobicContact CB-CB 4.06Å; F57-L168 HydrophobicContact CB-CD1 4.5Å; F57-L168 HydrophobicContact CD1-CB 3.59Å; F57-L168 HydrophobicContact CD2-CB 4.14Å; F57-L168 HydrophobicContact CD2-CD1 3.78Å; F57-L168 HydrophobicContact CE1-CB 4.04Å; F57-L168 HydrophobicContact CE2-CD1 4.18Å; F57-L168 HydrophobicContact CG-CB 3.66Å; F57-L168 HydrophobicContact CG-CD1 4.09Å; F57-L168 HydrophobicContact CZ-CB 4.49Å; F59-L168 HydrophobicContact CE1-CD1 3.94Å; F59-L168 HydrophobicContact CE1-CD2 4.11Å; F59-L168 HydrophobicContact CZ-CD1 3.83Å; C164-L168 HydrophobicContact CB-CD1 4.13Å; C164-L168 WeakPolarHBondContact O-CB 3.43Å; C164-L168 WeakPolarHBondContact O-CG 3.41Å; C164-L168 PolarHBondContact O-N 3.19Å; L168-F175 HydrophobicContact CD2-CD2 3.95Å; L168-A180 HydrophobicContact CD2-CB 3.92Å |
| 169 | Y | 91.1 | Very high | 93.3 | Very high | 182 Ų | 182 | 42.4 Ų | 42.4 | 71% | 0.714 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -77.6 | -47.2 | 170.5 | -177.6 | -97.2 | 0 | 0 | 0 | 111.7 | L165 I166 V167 L171 | L165-Y169 WeakPolarHBondContact O-CB 3.42Å; I166-Y169 PolarHBondContact O-N 3.47Å; V167-Y169 VanDerWaalsContact C-N 3.25Å; V167-Y169 PolarHBondContact O-N 2.68Å; Y169-L171 VanDerWaalsContact C-N 3.35Å |
| 170 | L | 90.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71 | -29.2 | -179 | -68.1 | 177.7 | 0 | 0 | 0 | 113.1 | I166 V167 P172 A228 | I166-L170 HydrophobicContact CG2-CD1 3.71Å; I166-L170 HydrophobicContact CG2-CG 4.44Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 3.22Å; V167-L170 PolarHBondContact O-N 2.74Å; L170-P172 VanDerWaalsContact O-CD 3.24Å; L170-P172 WeakPolarHBondContact O-CD 3.44Å; L170-A228 HydrophobicContact CD1-CB 3.94Å; L170-A228 HydrophobicContact CD2-CB 4.16Å |
| 171 | L | 91.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.5 | 63.8 | -172.8 | -56.5 | -176.9 | 0 | 0 | 0 | 112.2 | V167 Y169 R173 C174 F175 P388 L389 | V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 3.48Å; V167-L171 PolarHBondContact O-N 3.46Å; Y169-L171 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 2.92Å; L171-C174 HydrophobicContact CB-CB 4.08Å; L171-C174 PolarHBondContact O-N 3.22Å; L171-F175 HydrophobicContact CB-CE2 4.16Å; L171-F175 HydrophobicContact CD1-CE2 3.98Å; L171-F175 HydrophobicContact CD1-CZ 4.25Å; L171-P388 HydrophobicContact CD2-CG 4.15Å; L171-L389 HydrophobicContact CD1-CD1 3.6Å; L171-L389 HydrophobicContact CD2-CD1 3.7Å; L171-L389 HydrophobicContact CD2-CD2 4.45Å; L171-L389 HydrophobicContact CD2-CG 3.82Å; L171-L389 HydrophobicContact CG-CD1 4.3Å |
| 172 | P | 92.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 28% | 0.279 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 138.6 | 179.2 | 28.4 | -35.6 | 0 | 0 | 0 | 110.7 | Q58 L170 C174 P388 | Q58-P172 HydrophobicContact CB-CB 3.9Å; L170-P172 VanDerWaalsContact O-CD 3.24Å; L170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-C174 PolarHBondContact O-N 3.22Å; P172-C174 VanDerWaalsContact O-N 3.15Å; P172-P388 WeakPolarHBondContact O-CD 3.33Å |
| 173 | R | 91.3 | Very high | 93.1 | Very high | 139 Ų | 139 | 35.5 Ų | 35.5 | 53% | 0.525 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 10.4 | 176.7 | -48.7 | 178.7 | -170.3 | -176.3 | -1.1 | 115.5 | Q58 R60 L171 | Q58-R173 HydrophobicContact CB-CG 4.18Å; Q58-R173 WeakPolarHBondContact O-CA 3.49Å; Q58-R173 PolarHBondContact O-N 2.87Å; R60-R173 WeakPolarHBondContact CB-O 3.45Å; L171-R173 PolarHBondContact O-N 2.92Å |
| 174 | C | 91.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -74.1 | -35.5 | 173.6 | -78 | 0 | 0 | 0 | 0 | 112.9 | R60 L171 P172 P388 L391 | R60-C174 PolarHBondContact NH1-O 3.43Å; L171-C174 HydrophobicContact CB-CB 4.08Å; L171-C174 PolarHBondContact O-N 3.22Å; P172-C174 PolarHBondContact O-N 3.22Å; P172-C174 VanDerWaalsContact O-N 3.15Å; C174-P388 WeakPolarHBondContact SG-CD 3.47Å; C174-L391 HydrophobicContact CB-CD1 4.04Å |
| 175 | F | 93.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | trans | -122.6 | 149.7 | -170 | -52.6 | -73.5 | 0 | 0 | 0 | 112.2 | F59 R60 V167 L168 L171 E179 A180 I183 L391 Y395 | F59-F175 WeakPolarHBondContact CA-O 3.18Å; F59-F175 WeakPolarHBondContact CD1-O 3.45Å; R60-F175 PolarHBondContact N-O 3.46Å; V167-F175 HydrophobicContact CG1-CE2 3.79Å; V167-F175 HydrophobicContact CG1-CZ 4.4Å; L168-F175 HydrophobicContact CD2-CD2 3.95Å; L171-F175 HydrophobicContact CB-CE2 4.16Å; L171-F175 HydrophobicContact CD1-CE2 3.98Å; L171-F175 HydrophobicContact CD1-CZ 4.25Å; F175-E179 HydrophobicContact CB-CB 4.24Å; F175-E179 HydrophobicContact CD1-CB 4.3Å; F175-A180 HydrophobicContact CB-CB 4.04Å; F175-I183 HydrophobicContact CE1-CG2 4.45Å; F175-L391 HydrophobicContact CD1-CD1 4.17Å; F175-L391 HydrophobicContact CE1-CD1 3.63Å; F175-L391 HydrophobicContact CZ-CD1 4.09Å; F175-Y395 WeakPolarHBondContact CD1-OH 3.35Å; F175-Y395 WeakPolarHBondContact CE1-OH 3.49Å | ||
| 176 | T | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -78.3 | 164.6 | 152.8 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | S62 G178 E179 A180 Q507 | S62-T176 WeakPolarHBondContact OG-CG2 3.3Å; T176-G178 VanDerWaalsContact C-N 3.26Å; T176-G178 PolarHBondContact O-N 3.04Å; T176-E179 PolarHBondContact N-OE2 3.35Å; T176-E179 VanDerWaalsContact N-OE2 3.11Å; T176-E179 PolarHBondContact O-N 3.17Å; T176-E179 WeakPolarHBondContact OG1-CB 3.36Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.19Å; T176-E179 PolarHBondContact OG1-N 2.78Å; T176-E179 VanDerWaalsContact OG1-N 3.07Å; T176-A180 WeakPolarHBondContact O-CB 3.47Å; T176-A180 PolarHBondContact O-N 2.85Å; T176-Q507 PolarHBondContact OG1-OE1 2.94Å | ||
| 177 | P | 92.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -38.7 | 173.2 | -26.9 | 35.8 | 0 | 0 | 0 | 113.5 | W46 L50 F59 I67 L181 | W46-P177 HydrophobicContact CD2-CB 4.42Å; W46-P177 HydrophobicContact CD2-CG 4.35Å; W46-P177 HydrophobicContact CE3-CB 4.24Å; W46-P177 HydrophobicContact CE3-CG 3.77Å; W46-P177 HydrophobicContact CZ3-CB 4.39Å; W46-P177 HydrophobicContact CZ3-CG 3.98Å; L50-P177 HydrophobicContact CD1-CG 4.03Å; L50-P177 HydrophobicContact CD2-CG 4.43Å; F59-P177 HydrophobicContact CD1-CG 3.93Å; F59-P177 HydrophobicContact CD2-CG 4.24Å; F59-P177 HydrophobicContact CE1-CB 4.33Å; F59-P177 HydrophobicContact CE1-CG 4.09Å; F59-P177 HydrophobicContact CE2-CG 4.39Å; F59-P177 HydrophobicContact CG-CG 4Å; F59-P177 HydrophobicContact CZ-CG 4.31Å; I67-P177 HydrophobicContact CD1-CB 4.18Å; I67-P177 HydrophobicContact CG1-CB 4.19Å; P177-L181 WeakPolarHBondContact O-CB 3.35Å; P177-L181 PolarHBondContact O-N 3.24Å |
| 178 | G | 93.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S65 A70 T176 A180 L181 L182 | S65-G178 PolarHBondContact O-N 3.5Å; A70-G178 VanDerWaalsContact CB-O 3.26Å; A70-G178 WeakPolarHBondContact CB-O 3.37Å; T176-G178 VanDerWaalsContact C-N 3.26Å; T176-G178 PolarHBondContact O-N 3.04Å; G178-A180 VanDerWaalsContact C-N 3.35Å; G178-A180 PolarHBondContact O-N 3.11Å; G178-L181 WeakPolarHBondContact O-CB 3.27Å; G178-L181 PolarHBondContact O-N 2.92Å; G178-L182 PolarHBondContact O-N 2.86Å; G178-L182 VanDerWaalsContact O-N 3.1Å |
| 179 | E | 93.8 | Very high | 94 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 175.5 | -73.2 | 167.1 | -178.6 | 0 | 0 | 111.9 | R60 F175 T176 L181 L182 I183 I508 | R60-E179 IonicContact CZ-OE1 2.67Å; R60-E179 IonicContact CZ-OE2 3.71Å; R60-E179 IonicContact NH1-OE1 3.07Å; R60-E179 IonicContact NH1-OE2 3.51Å; R60-E179 PolarHBondContact NH1-OE2 3.17Å; R60-E179 VanDerWaalsContact NH1-OE2 3.13Å; R60-E179 IonicContact NH2-OE1 3.98Å; R60-E179 PolarHBondContact NH2-OE1 2.84Å; R60-E179 IonicContact NH2-OE2 2.75Å; R60-E179 PolarHBondContact NH2-OE2 3.37Å; F175-E179 HydrophobicContact CB-CB 4.24Å; F175-E179 HydrophobicContact CD1-CB 4.3Å; T176-E179 PolarHBondContact N-OE2 3.35Å; T176-E179 VanDerWaalsContact N-OE2 3.11Å; T176-E179 PolarHBondContact O-N 3.17Å; T176-E179 WeakPolarHBondContact OG1-CB 3.36Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.19Å; T176-E179 PolarHBondContact OG1-N 2.78Å; T176-E179 VanDerWaalsContact OG1-N 3.07Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.46Å; E179-L182 PolarHBondContact O-N 3.3Å; E179-I183 WeakPolarHBondContact O-CB 3.44Å; E179-I183 WeakPolarHBondContact O-CG1 3.43Å; E179-I183 PolarHBondContact O-N 3.1Å; E179-I508 VanDerWaalsContact OE1-CD1 3.22Å; E179-I508 WeakPolarHBondContact OE1-CD1 3.4Å; E179-I508 WeakPolarHBondContact OE1-CG1 3.43Å; E179-I508 PolarHBondContact OE1-N 3.01Å |
| 180 | A | 94.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F59 L168 F175 T176 G178 L182 V184 | F59-A180 HydrophobicContact CE1-CB 4.28Å; L168-A180 HydrophobicContact CD2-CB 3.92Å; F175-A180 HydrophobicContact CB-CB 4.04Å; T176-A180 WeakPolarHBondContact O-CB 3.47Å; T176-A180 PolarHBondContact O-N 2.85Å; G178-A180 VanDerWaalsContact C-N 3.35Å; G178-A180 PolarHBondContact O-N 3.11Å; A180-L182 VanDerWaalsContact C-N 3.35Å; A180-L182 PolarHBondContact O-N 2.96Å; A180-V184 WeakPolarHBondContact O-CA 3.45Å; A180-V184 WeakPolarHBondContact O-CB 3.44Å; A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.49Å |
| 181 | L | 95.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | 176.5 | -179.4 | 64.1 | 0 | 0 | 0 | 111.7 | A70 L107 L111 F160 P177 G178 E179 G185 | A70-L181 HydrophobicContact CB-CB 4.5Å; A70-L181 HydrophobicContact CB-CD2 4.14Å; L107-L181 HydrophobicContact CB-CD1 3.89Å; L111-L181 HydrophobicContact CD2-CB 4.39Å; L111-L181 HydrophobicContact CD2-CD2 4.31Å; F160-L181 HydrophobicContact CE2-CD1 4.33Å; F160-L181 HydrophobicContact CZ-CD1 4Å; P177-L181 WeakPolarHBondContact O-CB 3.35Å; P177-L181 PolarHBondContact O-N 3.24Å; G178-L181 WeakPolarHBondContact O-CB 3.27Å; G178-L181 PolarHBondContact O-N 2.92Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.46Å; L181-G185 VanDerWaalsContact O-CA 3.29Å; L181-G185 WeakPolarHBondContact O-CA 3.32Å; L181-G185 PolarHBondContact O-N 3.18Å |
| 182 | L | 94.9 | Very high | 94.7 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 14% | 0.141 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -49.3 | 179.7 | -68 | 179.3 | 0 | 0 | 0 | 112.5 | A70 V73 G178 E179 A180 G186 L511 L512 | A70-L182 HydrophobicContact CB-CD1 4.2Å; A70-L182 HydrophobicContact CB-CD2 4.25Å; A70-L182 HydrophobicContact CB-CG 3.87Å; A70-L182 WeakPolarHBondContact O-CD2 3.32Å; V73-L182 HydrophobicContact CB-CD2 3.74Å; V73-L182 HydrophobicContact CG1-CD2 4.19Å; V73-L182 HydrophobicContact CG2-CD1 4.49Å; V73-L182 HydrophobicContact CG2-CD2 3.92Å; G178-L182 PolarHBondContact O-N 2.86Å; G178-L182 VanDerWaalsContact O-N 3.1Å; E179-L182 PolarHBondContact O-N 3.3Å; A180-L182 VanDerWaalsContact C-N 3.35Å; A180-L182 PolarHBondContact O-N 2.96Å; L182-G186 PolarHBondContact O-N 3.29Å; L182-L511 HydrophobicContact CB-CD2 4.16Å; L182-L511 HydrophobicContact CD1-CD2 3.92Å; L182-L511 HydrophobicContact CD1-CG 4.27Å; L182-L512 HydrophobicContact CD1-CD1 4.09Å |
| 183 | I | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 19.8 Ų | 19.8 | 16% | 0.164 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -75.2 | -51.8 | -173.2 | -62.4 | -57.8 | 0 | 0 | 0 | 111.5 | F175 E179 G185 G186 I187 Y395 L398 L511 | F175-I183 HydrophobicContact CE1-CG2 4.45Å; E179-I183 WeakPolarHBondContact O-CB 3.44Å; E179-I183 WeakPolarHBondContact O-CG1 3.43Å; E179-I183 PolarHBondContact O-N 3.1Å; I183-G185 VanDerWaalsContact C-N 3.34Å; I183-G186 PolarHBondContact O-N 3.2Å; I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 WeakPolarHBondContact O-CB 3.14Å; I183-I187 VanDerWaalsContact O-CG1 3.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.5Å; I183-I187 PolarHBondContact O-N 3.49Å; I183-Y395 HydrophobicContact CD1-CE1 3.77Å; I183-Y395 HydrophobicContact CG1-CE1 3.96Å; I183-L398 HydrophobicContact CD1-CD1 4.31Å; I183-L511 HydrophobicContact CD1-CD1 4.03Å; I183-L511 HydrophobicContact CD1-CD2 3.78Å; I183-L511 HydrophobicContact CG1-CD2 4.08Å |
| 184 | V | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 178.5 | -178 | 0 | 0 | 0 | 0 | 109.3 | F160 L163 C164 V167 A180 G186 I187 S188 | F160-V184 HydrophobicContact CD2-CB 4.02Å; F160-V184 HydrophobicContact CD2-CG1 3.59Å; F160-V184 HydrophobicContact CE2-CB 3.86Å; F160-V184 HydrophobicContact CE2-CG1 3.86Å; F160-V184 HydrophobicContact CG-CG1 4.46Å; L163-V184 HydrophobicContact CB-CG1 3.8Å; L163-V184 HydrophobicContact CD2-CG1 3.79Å; L163-V184 HydrophobicContact CG-CG1 3.75Å; C164-V184 VanDerWaalsContact SG-CG1 3.59Å; V167-V184 HydrophobicContact CG1-CG2 4.34Å; A180-V184 WeakPolarHBondContact O-CA 3.45Å; A180-V184 WeakPolarHBondContact O-CB 3.44Å; A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.49Å; V184-G186 PolarHBondContact O-N 2.88Å; V184-I187 PolarHBondContact O-N 2.87Å; V184-S188 WeakPolarHBondContact O-CB 3.47Å; V184-S188 PolarHBondContact O-N 3.47Å; V184-S188 PolarHBondContact O-OG 2.91Å |
| 185 | G | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L181 I183 S188 F189 | L181-G185 VanDerWaalsContact O-CA 3.29Å; L181-G185 WeakPolarHBondContact O-CA 3.32Å; L181-G185 PolarHBondContact O-N 3.18Å; I183-G185 VanDerWaalsContact C-N 3.34Å; G185-S188 PolarHBondContact O-N 3.41Å; G185-F189 PolarHBondContact O-N 2.88Å |
| 186 | G | 96.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 18.4 Ų | 18.4 | 24% | 0.237 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L182 I183 V184 F189 I190 | L182-G186 PolarHBondContact O-N 3.29Å; I183-G186 PolarHBondContact O-N 3.2Å; V184-G186 PolarHBondContact O-N 2.88Å; G186-F189 PolarHBondContact O-N 2.91Å; G186-I190 VanDerWaalsContact O-CG1 3.32Å; G186-I190 WeakPolarHBondContact O-CG1 3.42Å; G186-I190 PolarHBondContact O-N 2.93Å |
| 187 | I | 97.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 21.7 Ų | 21.7 | 17% | 0.174 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.1 | -67.3 | 168.1 | 0 | 0 | 0 | 111 | L163 I183 V184 F189 I190 L191 V217 L221 | L163-I187 HydrophobicContact CD2-CB 3.93Å; L163-I187 HydrophobicContact CD2-CG2 3.47Å; L163-I187 VanDerWaalsContact CD2-CG2 3.47Å; I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 WeakPolarHBondContact O-CB 3.14Å; I183-I187 VanDerWaalsContact O-CG1 3.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.5Å; I183-I187 PolarHBondContact O-N 3.49Å; V184-I187 PolarHBondContact O-N 2.87Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 PolarHBondContact O-N 3.05Å; I187-I190 PolarHBondContact O-N 3.31Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 PolarHBondContact O-N 3.47Å; I187-V217 HydrophobicContact CG1-CG1 4.25Å; I187-L221 HydrophobicContact CG2-CD2 3.69Å |
| 188 | S | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | F160 V184 G185 N192 | F160-S188 WeakPolarHBondContact CA-OG 3.23Å; F160-S188 PolarHBondContact N-OG 2.72Å; V184-S188 WeakPolarHBondContact O-CB 3.47Å; V184-S188 PolarHBondContact O-N 3.47Å; V184-S188 PolarHBondContact O-OG 2.91Å; G185-S188 PolarHBondContact O-N 3.41Å; S188-N192 WeakPolarHBondContact O-CB 3.36Å; S188-N192 PolarHBondContact O-N 2.96Å |
| 189 | F | 95.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -48 | 174.9 | -168.6 | -92.1 | 0 | 0 | 0 | 111.5 | F96 V99 I100 T103 V156 G185 G186 I187 L191 N192 Q193 | F96-F189 HydrophobicContact CE1-CE1 4.37Å; F96-F189 HydrophobicContact CE1-CZ 4.37Å; F96-F189 HydrophobicContact CE2-CE1 4.08Å; F96-F189 AromaticContact CE2-CZ 3.71Å; F96-F189 HydrophobicContact CE2-CZ 3.71Å; F96-F189 AromaticContact CZ-CE1 3.56Å; F96-F189 HydrophobicContact CZ-CE1 3.56Å; F96-F189 AromaticContact CZ-CZ 3.58Å; F96-F189 HydrophobicContact CZ-CZ 3.58Å; V99-F189 HydrophobicContact CG1-CE2 4.44Å; I100-F189 HydrophobicContact CD1-CZ 4.24Å; I100-F189 HydrophobicContact CG1-CE1 4.1Å; I100-F189 HydrophobicContact CG1-CE2 3.93Å; I100-F189 HydrophobicContact CG1-CZ 3.47Å; I100-F189 VanDerWaalsContact CG1-CZ 3.47Å; T103-F189 HydrophobicContact CG2-CD2 4.33Å; V156-F189 HydrophobicContact CG1-CB 4.32Å; V156-F189 HydrophobicContact CG1-CD2 4.4Å; V156-F189 HydrophobicContact CG2-CD2 4.09Å; G185-F189 PolarHBondContact O-N 2.88Å; G186-F189 PolarHBondContact O-N 2.91Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 PolarHBondContact O-N 3.05Å; F189-L191 VanDerWaalsContact C-N 3.35Å; F189-L191 PolarHBondContact O-N 3.26Å; F189-N192 WeakPolarHBondContact O-CB 3.22Å; F189-N192 PolarHBondContact O-N 2.94Å; F189-Q193 HydrophobicContact CD1-CG 4.01Å; F189-Q193 HydrophobicContact CE1-CG 3.73Å; F189-Q193 HydrophobicContact CZ-CG 4.27Å; F189-Q193 WeakPolarHBondContact O-CG 3.29Å; F189-Q193 PolarHBondContact O-N 3.46Å |
| 190 | I | 95.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 177.8 | -71 | 170.2 | 0 | 0 | 0 | 111.5 | G186 I187 N192 Q193 L194 P214 V217 V218 | G186-I190 VanDerWaalsContact O-CG1 3.32Å; G186-I190 WeakPolarHBondContact O-CG1 3.42Å; G186-I190 PolarHBondContact O-N 2.93Å; I187-I190 PolarHBondContact O-N 3.31Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.5Å; I190-Q193 PolarHBondContact O-N 3.28Å; I190-L194 WeakPolarHBondContact O-CB 3.26Å; I190-L194 PolarHBondContact O-N 3.45Å; I190-P214 HydrophobicContact CG2-CB 3.87Å; I190-P214 HydrophobicContact CG2-CG 4.47Å; I190-V217 HydrophobicContact CD1-CG1 4.36Å; I190-V217 HydrophobicContact CG2-CB 4.36Å; I190-V217 HydrophobicContact CG2-CG1 4.32Å; I190-V218 HydrophobicContact CG2-CG2 4.29Å |
| 191 | L | 96.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -45 | 178.5 | 178.5 | 58.6 | 0 | 0 | 0 | 111.1 | I159 I187 F189 Q193 L194 I195 V218 | I159-L191 HydrophobicContact CG2-CD2 3.76Å; I159-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 PolarHBondContact O-N 3.47Å; F189-L191 VanDerWaalsContact C-N 3.35Å; F189-L191 PolarHBondContact O-N 3.26Å; L191-Q193 PolarHBondContact O-N 3.23Å; L191-L194 PolarHBondContact O-N 3.2Å; L191-I195 HydrophobicContact CD1-CD1 4.12Å; L191-I195 HydrophobicContact CD1-CG1 4.32Å; L191-I195 HydrophobicContact CG-CD1 4Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 2.9Å; L191-V218 HydrophobicContact CB-CG2 4.14Å; L191-V218 HydrophobicContact CD1-CB 4.37Å; L191-V218 HydrophobicContact CD1-CG1 3.64Å; L191-V218 HydrophobicContact CD1-CG2 3.74Å |
| 192 | N | 95.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.5 | -167 | 60.4 | 0 | 0 | 0 | 112.1 | E152 E155 V156 I159 S188 F189 I190 L194 I195 K196 | E152-N192 WeakPolarHBondContact CG-ND2 3.43Å; E155-N192 WeakPolarHBondContact CB-OD1 3.47Å; V156-N192 HydrophobicContact CG2-CB 3.66Å; I159-N192 HydrophobicContact CD1-CB 3.87Å; S188-N192 WeakPolarHBondContact O-CB 3.36Å; S188-N192 PolarHBondContact O-N 2.96Å; F189-N192 WeakPolarHBondContact O-CB 3.22Å; F189-N192 PolarHBondContact O-N 2.94Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.5Å; N192-L194 VanDerWaalsContact C-N 3.31Å; N192-L194 PolarHBondContact O-N 3.41Å; N192-I195 PolarHBondContact O-N 2.87Å; N192-K196 WeakPolarHBondContact O-CG 3.39Å; N192-K196 PolarHBondContact O-N 3.47Å |
| 193 | Q | 92.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 177 | -66.3 | -50 | -39.8 | 0 | 0 | 112.2 | F96 E152 F189 I190 L191 R197 | F96-Q193 HydrophobicContact CE2-CG 4.35Å; F96-Q193 HydrophobicContact CZ-CG 4.39Å; E152-Q193 PolarHBondContact OE1-NE2 2.93Å; F189-Q193 HydrophobicContact CD1-CG 4.01Å; F189-Q193 HydrophobicContact CE1-CG 3.73Å; F189-Q193 HydrophobicContact CZ-CG 4.27Å; F189-Q193 WeakPolarHBondContact O-CG 3.29Å; F189-Q193 PolarHBondContact O-N 3.46Å; I190-Q193 PolarHBondContact O-N 3.28Å; L191-Q193 PolarHBondContact O-N 3.23Å; Q193-R197 WeakPolarHBondContact O-CB 3.29Å; Q193-R197 WeakPolarHBondContact O-CD 3.38Å; Q193-R197 WeakPolarHBondContact O-CG 3.18Å; Q193-R197 PolarHBondContact O-N 3.46Å |
| 194 | L | 92.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.8 | -176.8 | 61.9 | 0 | 0 | 0 | 111.5 | I190 L191 N192 R197 S198 P214 V215 V218 W260 F264 | I190-L194 WeakPolarHBondContact O-CB 3.26Å; I190-L194 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 3.2Å; N192-L194 VanDerWaalsContact C-N 3.31Å; N192-L194 PolarHBondContact O-N 3.41Å; L194-R197 PolarHBondContact O-N 2.87Å; L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 3.34Å; L194-S198 PolarHBondContact O-OG 3.41Å; L194-P214 HydrophobicContact CB-CB 4.31Å; L194-P214 HydrophobicContact CD1-CB 4.29Å; L194-V215 HydrophobicContact CD1-CG2 3.69Å; L194-V215 HydrophobicContact CD2-CG2 4.44Å; L194-V218 HydrophobicContact CB-CG2 4.48Å; L194-V218 HydrophobicContact CD2-CB 3.62Å; L194-V218 HydrophobicContact CD2-CG1 3.88Å; L194-V218 HydrophobicContact CD2-CG2 3.63Å; L194-W260 HydrophobicContact CD1-CZ2 4.03Å; L194-W260 HydrophobicContact CD2-CH2 3.45Å; L194-W260 VanDerWaalsContact CD2-CH2 3.45Å; L194-W260 HydrophobicContact CD2-CZ2 3.56Å; L194-W260 HydrophobicContact CD2-CZ3 4.03Å; L194-W260 HydrophobicContact CG-CH2 3.96Å; L194-W260 HydrophobicContact CG-CZ2 3.54Å; L194-F264 HydrophobicContact CD1-CE2 3.69Å; L194-F264 HydrophobicContact CD1-CZ 4.05Å |
| 195 | I | 92.9 | Very high | 87 | Confident | 71 Ų | 71 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -52.3 | 176.4 | -69 | 165.4 | 0 | 0 | 0 | 110.1 | I159 L191 N192 R197 S198 L199 | I159-I195 HydrophobicContact CD1-CD1 4.48Å; L191-I195 HydrophobicContact CD1-CD1 4.12Å; L191-I195 HydrophobicContact CD1-CG1 4.32Å; L191-I195 HydrophobicContact CG-CD1 4Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 2.9Å; N192-I195 PolarHBondContact O-N 2.87Å; I195-R197 PolarHBondContact O-N 2.84Å; I195-S198 CarbonylContact O-C 3.53Å; I195-S198 WeakPolarHBondContact O-CA 3.49Å; I195-S198 WeakPolarHBondContact O-CB 3.41Å; I195-S198 PolarHBondContact O-N 3.43Å; I195-L199 HydrophobicContact CG2-CD1 4Å; I195-L199 HydrophobicContact CG2-CG 4.48Å; I195-L199 WeakPolarHBondContact O-CG 3.15Å; I195-L199 PolarHBondContact O-N 3.08Å |
| 196 | K | 89.9 | Confident | 85.7 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 21% | 0.213 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | -179.2 | -70.8 | -169.4 | 178.5 | -158.4 | 0 | 112.7 | E152 E155 N192 S198 L199 N200 | E152-K196 IonicContact OE2-NZ 3.18Å; E152-K196 PolarHBondContact OE2-NZ 2.94Å; E155-K196 WeakPolarHBondContact OE2-CE 3.34Å; E155-K196 IonicContact OE2-NZ 3.46Å; E155-K196 PolarHBondContact OE2-NZ 3.45Å; N192-K196 WeakPolarHBondContact O-CG 3.39Å; N192-K196 PolarHBondContact O-N 3.47Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.06Å; K196-L199 PolarHBondContact O-N 3.34Å; K196-L199 VanDerWaalsContact O-N 3.16Å; K196-N200 PolarHBondContact O-N 3.43Å |
| 197 | R | 88.8 | Confident | 84.9 | Confident | 68 Ų | 68 | 60 Ų | 60 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 176.2 | -70 | 171.3 | -178.7 | -162.6 | 5.7 | 112 | Q193 L194 I195 L199 N200 F264 | Q193-R197 WeakPolarHBondContact O-CB 3.29Å; Q193-R197 WeakPolarHBondContact O-CD 3.38Å; Q193-R197 WeakPolarHBondContact O-CG 3.18Å; Q193-R197 PolarHBondContact O-N 3.46Å; L194-R197 PolarHBondContact O-N 2.87Å; I195-R197 PolarHBondContact O-N 2.84Å; R197-L199 VanDerWaalsContact C-N 3.29Å; R197-L199 PolarHBondContact O-N 3.23Å; R197-N200 CarbonylContact O-C 3.58Å; R197-N200 PolarHBondContact O-N 2.98Å; R197-F264 HydrophobicContact CB-CE1 3.82Å; R197-F264 HydrophobicContact CB-CZ 4.04Å |
| 198 | S | 90.5 | Very high | 84.3 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.4 | -19 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | L194 I195 K196 L201 W260 F264 | L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 3.34Å; L194-S198 PolarHBondContact O-OG 3.41Å; I195-S198 CarbonylContact O-C 3.53Å; I195-S198 WeakPolarHBondContact O-CA 3.49Å; I195-S198 WeakPolarHBondContact O-CB 3.41Å; I195-S198 PolarHBondContact O-N 3.43Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.06Å; S198-L201 WeakPolarHBondContact O-CD1 3.29Å; S198-W260 WeakPolarHBondContact OG-CZ2 3.33Å; S198-W260 PolarHBondContact OG-NE1 3.1Å; S198-F264 WeakPolarHBondContact OG-CZ 3.27Å |
| 199 | L | 89.3 | Confident | 83.7 | Confident | 132 Ų | 132 | 60.1 Ų | 60.1 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -88.1 | -30.9 | 173.2 | -65.3 | 173.7 | 0 | 0 | 0 | 111.4 | I195 K196 R197 | I195-L199 HydrophobicContact CG2-CD1 4Å; I195-L199 HydrophobicContact CG2-CG 4.48Å; I195-L199 WeakPolarHBondContact O-CG 3.15Å; I195-L199 PolarHBondContact O-N 3.08Å; K196-L199 PolarHBondContact O-N 3.34Å; K196-L199 VanDerWaalsContact O-N 3.16Å; R197-L199 VanDerWaalsContact C-N 3.29Å; R197-L199 PolarHBondContact O-N 3.23Å |
| 200 | N | 86.5 | Confident | 83.2 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | trans | -105.9 | 49.6 | -177.2 | -63.1 | -20.5 | 0 | 0 | 0 | 112.7 | K196 R197 A202 E203 | K196-N200 PolarHBondContact O-N 3.43Å; R197-N200 CarbonylContact O-C 3.58Å; R197-N200 PolarHBondContact O-N 2.98Å; N200-A202 PolarHBondContact O-N 3.38Å; N200-A202 VanDerWaalsContact O-N 3.14Å; N200-E203 PolarHBondContact O-N 3.35Å | ||
| 201 | L | 78.3 | Confident | 82.9 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 38% | 0.382 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -55.6 | -33.8 | -177 | -94.7 | 75.8 | 0 | 0 | 0 | 113.5 | S198 E203 V204 L263 | S198-L201 WeakPolarHBondContact O-CD1 3.29Å; L201-E203 PolarHBondContact O-N 3.32Å; L201-V204 WeakPolarHBondContact O-CB 3.36Å; L201-V204 VanDerWaalsContact O-CG2 3.3Å; L201-V204 WeakPolarHBondContact O-CG2 3.47Å; L201-V204 PolarHBondContact O-N 3.06Å; L201-L263 HydrophobicContact CD2-CB 4Å; L201-L263 HydrophobicContact CD2-CD1 4.26Å; L201-L263 HydrophobicContact CD2-CD2 4.15Å; L201-L263 HydrophobicContact CD2-CG 4.36Å |
| 202 | A | 64.6 | Low | 82.7 | Confident | 105 Ų | 105 | 61 Ų | 61 | 87% | 0.868 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -64.9 | -19.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N200 | N200-A202 PolarHBondContact O-N 3.38Å; N200-A202 VanDerWaalsContact O-N 3.14Å |
| 203 | E | 65.3 | Low | 82.6 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -102.2 | 5.1 | -179.6 | -61.5 | -173.4 | 162.1 | 0 | 0 | 113 | N200 L201 K205 | N200-E203 PolarHBondContact O-N 3.35Å; L201-E203 PolarHBondContact O-N 3.32Å; E203-K205 VanDerWaalsContact C-N 3.31Å; E203-K205 PolarHBondContact O-N 3.25Å |
| 204 | V | 63.5 | Low | 82.6 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | trans | -66.1 | 91.1 | 178 | 177.7 | 0 | 0 | 0 | 0 | 109 | L201 Y211 F264 | L201-V204 WeakPolarHBondContact O-CB 3.36Å; L201-V204 VanDerWaalsContact O-CG2 3.3Å; L201-V204 WeakPolarHBondContact O-CG2 3.47Å; L201-V204 PolarHBondContact O-N 3.06Å; V204-Y211 HydrophobicContact CG1-CE1 3.99Å; V204-Y211 HydrophobicContact CG1-CE2 4.11Å; V204-Y211 WeakPolarHBondContact CG1-OH 3.31Å; V204-F264 HydrophobicContact CG1-CD1 3.99Å; V204-F264 HydrophobicContact CG2-CD1 3.81Å; V204-F264 HydrophobicContact CG2-CE1 3.98Å | ||
| 205 | K | 61.3 | Low | 82.7 | Confident | 189 Ų | 189 | 61.7 Ų | 61.7 | 82% | 0.822 | 34% | 0.337 | S | S | * | . | trans | -119.7 | 109.1 | 172 | -67.7 | 179.7 | -178.2 | 174.8 | 0 | 107.6 | E203 | E203-K205 VanDerWaalsContact C-N 3.31Å; E203-K205 PolarHBondContact O-N 3.25Å | ||
| 206 | G | 69.1 | Low | 82.8 | Confident | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 175.5 | 165.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 207 | D | 80.1 | Confident | 83 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | trans | -62.2 | 126.9 | 171.8 | -170 | -27.5 | 0 | 0 | 0 | 109.7 | V209 N210 Q342 | D207-V209 PolarHBondContact O-N 3.32Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.26Å; D207-V209 PolarHBondContact OD1-N 3.08Å; D207-N210 WeakPolarHBondContact O-CB 3.46Å; D207-N210 PolarHBondContact O-N 3.48Å; D207-Q342 PolarHBondContact OD2-NE2 3.49Å | ||
| 208 | P | 83.1 | Confident | 83.3 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.1 | -34.9 | 172.2 | -36 | 39.6 | 0 | 0 | 0 | 115 | N210 Y211 I265 W272 | P208-N210 PolarHBondContact O-N 3.38Å; P208-Y211 PolarHBondContact O-N 3.48Å; P208-Y211 VanDerWaalsContact O-N 3.16Å; P208-I265 HydrophobicContact CB-CG1 4.09Å; P208-I265 HydrophobicContact CB-CG2 4.24Å; P208-I265 HydrophobicContact CG-CG2 4.33Å; P208-W272 HydrophobicContact CB-CD2 4.43Å; P208-W272 HydrophobicContact CB-CZ2 3.73Å |
| 209 | V | 86.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.6 | -34.1 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | D207 Y211 F212 W272 F276 H345 V346 | D207-V209 PolarHBondContact O-N 3.32Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.26Å; D207-V209 PolarHBondContact OD1-N 3.08Å; V209-Y211 PolarHBondContact O-N 3.5Å; V209-F212 PolarHBondContact O-N 2.94Å; V209-W272 HydrophobicContact CG2-CH2 4.28Å; V209-W272 HydrophobicContact CG2-CZ2 3.91Å; V209-F276 HydrophobicContact CG2-CE2 3.94Å; V209-F276 HydrophobicContact CG2-CZ 4.35Å; V209-H345 HydrophobicContact CG1-CB 4.44Å; V209-H345 VanDerWaalsContact CG1-ND1 3.33Å; V209-H345 WeakPolarHBondContact CG1-ND1 3.35Å; V209-V346 HydrophobicContact CB-CG2 4.45Å; V209-V346 HydrophobicContact CG1-CG2 3.87Å; V209-V346 HydrophobicContact CG2-CG2 3.97Å |
| 210 | N | 85.5 | Confident | 83.7 | Confident | 79 Ų | 79 | 47.5 Ų | 47.5 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.8 | -15.6 | -176.1 | -64.3 | -29.6 | 0 | 0 | 0 | 114 | D207 P208 P214 | D207-N210 WeakPolarHBondContact O-CB 3.46Å; D207-N210 PolarHBondContact O-N 3.48Å; P208-N210 PolarHBondContact O-N 3.38Å; N210-P214 WeakPolarHBondContact O-CD 3.37Å |
| 211 | Y | 88.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -95.6 | -16.2 | 179 | -55.5 | -79.9 | 0 | 0 | 0 | 112.3 | V204 P208 V209 P214 V215 F264 | V204-Y211 HydrophobicContact CG1-CE1 3.99Å; V204-Y211 HydrophobicContact CG1-CE2 4.11Å; V204-Y211 WeakPolarHBondContact CG1-OH 3.31Å; P208-Y211 PolarHBondContact O-N 3.48Å; P208-Y211 VanDerWaalsContact O-N 3.16Å; V209-Y211 PolarHBondContact O-N 3.5Å; Y211-P214 WeakPolarHBondContact O-CD 3.41Å; Y211-V215 WeakPolarHBondContact O-CG2 3.41Å; Y211-V215 PolarHBondContact O-N 2.69Å; Y211-F264 HydrophobicContact CD1-CB 4.03Å; Y211-F264 AromaticContact CD1-CD1 3.84Å; Y211-F264 HydrophobicContact CD1-CD1 3.84Å; Y211-F264 HydrophobicContact CD1-CD2 4.46Å; Y211-F264 HydrophobicContact CD1-CE1 4.43Å; Y211-F264 AromaticContact CD1-CG 3.87Å; Y211-F264 HydrophobicContact CD1-CG 3.87Å; Y211-F264 HydrophobicContact CD2-CB 4.17Å; Y211-F264 HydrophobicContact CE1-CD1 4.05Å; Y211-F264 HydrophobicContact CE1-CG 4.48Å; Y211-F264 HydrophobicContact CG-CB 3.78Å; Y211-F264 HydrophobicContact CG-CD1 4.46Å; Y211-F264 HydrophobicContact CG-CG 4.09Å |
| 212 | F | 91.4 | Very high | 84.7 | Confident | 31 Ų | 31 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -48.4 | -175.9 | -167.3 | -125.8 | 0 | 0 | 0 | 112.3 | V209 V216 L261 V346 V349 | V209-F212 PolarHBondContact O-N 2.94Å; F212-V216 HydrophobicContact CD2-CG2 4.08Å; F212-V216 HydrophobicContact CE1-CG2 4.42Å; F212-V216 HydrophobicContact CE2-CG2 3.81Å; F212-V216 HydrophobicContact CG-CG2 4.49Å; F212-V216 HydrophobicContact CZ-CG2 3.99Å; F212-V216 WeakPolarHBondContact O-CB 3.29Å; F212-V216 VanDerWaalsContact O-CG2 3.29Å; F212-V216 WeakPolarHBondContact O-CG2 3.36Å; F212-V216 PolarHBondContact O-N 2.92Å; F212-L261 HydrophobicContact CD2-CD1 4.25Å; F212-L261 HydrophobicContact CD2-CD2 4.24Å; F212-L261 HydrophobicContact CE2-CD1 4.33Å; F212-V346 HydrophobicContact CD1-CG1 4.07Å; F212-V346 HydrophobicContact CE1-CG1 3.92Å; F212-V346 WeakPolarHBondContact CE1-O 3.33Å; F212-V349 HydrophobicContact CD1-CB 3.63Å; F212-V349 HydrophobicContact CD1-CG1 3.4Å; F212-V349 HydrophobicContact CD1-CG2 4.34Å; F212-V349 HydrophobicContact CE1-CB 3.74Å; F212-V349 HydrophobicContact CE1-CG1 3.54Å; F212-V349 HydrophobicContact CG-CG1 4.15Å; F212-V349 HydrophobicContact CZ-CG1 4.39Å |
| 213 | L | 93.6 | Very high | 86.1 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -53.1 | 179.3 | 172.1 | 71.4 | 0 | 0 | 0 | 112.7 | V215 V216 V217 V349 W405 | L213-V215 PolarHBondContact O-N 2.92Å; L213-V216 PolarHBondContact O-N 3.37Å; L213-V217 HydrophobicContact CD1-CG2 3.63Å; L213-V217 HydrophobicContact CG-CG2 4.3Å; L213-V217 WeakPolarHBondContact O-CB 3.44Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.49Å; L213-V349 HydrophobicContact CB-CG1 4.41Å; L213-V349 HydrophobicContact CB-CG2 3.79Å; L213-V349 HydrophobicContact CD1-CG1 4.45Å; L213-V349 HydrophobicContact CD1-CG2 3.86Å; L213-V349 HydrophobicContact CG-CG2 4.4Å; L213-W405 HydrophobicContact CD1-CD2 3.93Å; L213-W405 HydrophobicContact CD1-CE3 3.71Å; L213-W405 HydrophobicContact CD1-CH2 4.1Å; L213-W405 HydrophobicContact CD1-CZ2 4.26Å; L213-W405 HydrophobicContact CD1-CZ3 3.79Å; L213-W405 HydrophobicContact CD2-CB 3.82Å; L213-W405 HydrophobicContact CD2-CD2 3.84Å; L213-W405 HydrophobicContact CD2-CE3 3.86Å; L213-W405 HydrophobicContact CD2-CG 3.85Å; L213-W405 HydrophobicContact CG-CE3 4.48Å |
| 214 | P | 94.2 | Very high | 87.4 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 179.9 | -27.3 | 35 | 0 | 0 | 0 | 113.8 | I190 L194 N210 Y211 V218 | I190-P214 HydrophobicContact CG2-CB 3.87Å; I190-P214 HydrophobicContact CG2-CG 4.47Å; L194-P214 HydrophobicContact CB-CB 4.31Å; L194-P214 HydrophobicContact CD1-CB 4.29Å; N210-P214 WeakPolarHBondContact O-CD 3.37Å; Y211-P214 WeakPolarHBondContact O-CD 3.41Å; P214-V218 WeakPolarHBondContact O-CB 3.3Å; P214-V218 WeakPolarHBondContact O-CG2 3.31Å; P214-V218 PolarHBondContact O-N 3.28Å |
| 215 | V | 94.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | -178.6 | 179 | 0 | 0 | 0 | 0 | 111.3 | L194 Y211 L213 G219 L257 L261 F264 | L194-V215 HydrophobicContact CD1-CG2 3.69Å; L194-V215 HydrophobicContact CD2-CG2 4.44Å; Y211-V215 WeakPolarHBondContact O-CG2 3.41Å; Y211-V215 PolarHBondContact O-N 2.69Å; L213-V215 PolarHBondContact O-N 2.92Å; V215-G219 WeakPolarHBondContact O-CA 3.44Å; V215-G219 PolarHBondContact O-N 3.47Å; V215-L257 HydrophobicContact CG1-CD2 4.06Å; V215-L261 HydrophobicContact CB-CD2 3.76Å; V215-L261 HydrophobicContact CB-CG 4.12Å; V215-L261 HydrophobicContact CG1-CD1 4.39Å; V215-L261 HydrophobicContact CG1-CD2 4.01Å; V215-L261 HydrophobicContact CG1-CG 3.77Å; V215-L261 HydrophobicContact CG2-CD2 3.84Å; V215-L261 HydrophobicContact CG2-CG 4.37Å; V215-F264 HydrophobicContact CG2-CD2 4.23Å; V215-F264 HydrophobicContact CG2-CE2 4.25Å |
| 216 | V | 94.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | F212 L213 S220 V349 A353 | F212-V216 HydrophobicContact CD2-CG2 4.08Å; F212-V216 HydrophobicContact CE1-CG2 4.42Å; F212-V216 HydrophobicContact CE2-CG2 3.81Å; F212-V216 HydrophobicContact CG-CG2 4.49Å; F212-V216 HydrophobicContact CZ-CG2 3.99Å; F212-V216 WeakPolarHBondContact O-CB 3.29Å; F212-V216 VanDerWaalsContact O-CG2 3.29Å; F212-V216 WeakPolarHBondContact O-CG2 3.36Å; F212-V216 PolarHBondContact O-N 2.92Å; L213-V216 PolarHBondContact O-N 3.37Å; V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.28Å; V216-S220 PolarHBondContact O-N 3.09Å; V216-S220 PolarHBondContact O-OG 3.28Å; V216-V349 HydrophobicContact CB-CG1 3.75Å; V216-V349 HydrophobicContact CG1-CG1 3.92Å; V216-V349 HydrophobicContact CG2-CG1 3.84Å; V216-A353 HydrophobicContact CG1-CB 3.68Å |
| 217 | V | 95.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 11% | 0.109 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | 179.6 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | I187 I190 L213 S220 L221 L352 | I187-V217 HydrophobicContact CG1-CG1 4.25Å; I190-V217 HydrophobicContact CD1-CG1 4.36Å; I190-V217 HydrophobicContact CG2-CB 4.36Å; I190-V217 HydrophobicContact CG2-CG1 4.32Å; L213-V217 HydrophobicContact CD1-CG2 3.63Å; L213-V217 HydrophobicContact CG-CG2 4.3Å; L213-V217 WeakPolarHBondContact O-CB 3.44Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.49Å; V217-S220 PolarHBondContact O-N 3.17Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 PolarHBondContact O-N 2.87Å; V217-L352 HydrophobicContact CG2-CD2 4.02Å |
| 218 | V | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I190 L191 L194 P214 S220 L221 L222 W260 | I190-V218 HydrophobicContact CG2-CG2 4.29Å; L191-V218 HydrophobicContact CB-CG2 4.14Å; L191-V218 HydrophobicContact CD1-CB 4.37Å; L191-V218 HydrophobicContact CD1-CG1 3.64Å; L191-V218 HydrophobicContact CD1-CG2 3.74Å; L194-V218 HydrophobicContact CB-CG2 4.48Å; L194-V218 HydrophobicContact CD2-CB 3.62Å; L194-V218 HydrophobicContact CD2-CG1 3.88Å; L194-V218 HydrophobicContact CD2-CG2 3.63Å; P214-V218 WeakPolarHBondContact O-CB 3.3Å; P214-V218 WeakPolarHBondContact O-CG2 3.31Å; P214-V218 PolarHBondContact O-N 3.28Å; V218-S220 PolarHBondContact O-N 3.47Å; V218-L221 PolarHBondContact O-N 3.32Å; V218-L222 HydrophobicContact CG1-CD1 3.97Å; V218-L222 HydrophobicContact CG1-CG 4.29Å; V218-L222 WeakPolarHBondContact O-CG 3.23Å; V218-L222 PolarHBondContact O-N 3.37Å; V218-W260 HydrophobicContact CG1-CH2 4.42Å; V218-W260 HydrophobicContact CG1-CZ3 4.46Å |
| 219 | G | 93.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V215 L221 L222 L223 L257 | V215-G219 WeakPolarHBondContact O-CA 3.44Å; V215-G219 PolarHBondContact O-N 3.47Å; G219-L221 VanDerWaalsContact C-N 3.33Å; G219-L221 PolarHBondContact O-N 3.44Å; G219-L222 PolarHBondContact O-N 2.91Å; G219-L223 WeakPolarHBondContact O-CB 3.35Å; G219-L223 PolarHBondContact O-N 3.09Å; G219-L257 VanDerWaalsContact CA-CD2 3.42Å |
| 220 | S | 93.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | V216 V217 V218 G224 Y360 | V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.28Å; V216-S220 PolarHBondContact O-N 3.09Å; V216-S220 PolarHBondContact O-OG 3.28Å; V217-S220 PolarHBondContact O-N 3.17Å; V218-S220 PolarHBondContact O-N 3.47Å; S220-G224 PolarHBondContact O-N 2.97Å; S220-Y360 WeakPolarHBondContact O-CE2 3.33Å; S220-Y360 PolarHBondContact O-OH 2.87Å |
| 221 | L | 94.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 16% | 0.157 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 174.1 | 179.2 | 73.4 | 0 | 0 | 0 | 111.5 | L163 I187 V217 V218 G219 L223 G224 V225 | L163-L221 HydrophobicContact CD1-CD1 4.23Å; L163-L221 HydrophobicContact CD1-CD2 3.91Å; L163-L221 HydrophobicContact CD2-CD2 4.35Å; I187-L221 HydrophobicContact CG2-CD2 3.69Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 PolarHBondContact O-N 2.87Å; V218-L221 PolarHBondContact O-N 3.32Å; G219-L221 VanDerWaalsContact C-N 3.33Å; G219-L221 PolarHBondContact O-N 3.44Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 3.21Å; L221-G224 PolarHBondContact O-N 3.03Å; L221-G224 VanDerWaalsContact O-N 3.16Å; L221-V225 HydrophobicContact CD1-CG2 4.48Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 2.99Å |
| 222 | L | 92.5 | Very high | 92.5 | Very high | 96 Ų | 96 | 31.4 Ų | 31.4 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 178.6 | -71.6 | 174 | 0 | 0 | 0 | 111.2 | V218 G219 V225 F226 | V218-L222 HydrophobicContact CG1-CD1 3.97Å; V218-L222 HydrophobicContact CG1-CG 4.29Å; V218-L222 WeakPolarHBondContact O-CG 3.23Å; V218-L222 PolarHBondContact O-N 3.37Å; G219-L222 PolarHBondContact O-N 2.91Å; L222-V225 PolarHBondContact O-N 3.36Å; L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.24Å; L222-F226 PolarHBondContact O-N 3.09Å |
| 223 | L | 93.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.7 | -168.9 | 69.8 | 0 | 0 | 0 | 111.7 | G219 L221 F226 F227 T249 L252 Y360 | G219-L223 WeakPolarHBondContact O-CB 3.35Å; G219-L223 PolarHBondContact O-N 3.09Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 3.21Å; L223-F226 PolarHBondContact O-N 3.38Å; L223-F227 HydrophobicContact CD1-CD2 3.93Å; L223-F227 HydrophobicContact CD1-CE2 3.42Å; L223-F227 VanDerWaalsContact CD1-CE2 3.42Å; L223-F227 HydrophobicContact CD1-CZ 4.43Å; L223-F227 HydrophobicContact CG-CD2 3.94Å; L223-F227 HydrophobicContact CG-CE2 3.87Å; L223-F227 VanDerWaalsContact O-CD2 3.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.3Å; L223-F227 PolarHBondContact O-N 2.85Å; L223-T249 HydrophobicContact CD1-CG2 4.39Å; L223-T249 HydrophobicContact CD2-CG2 4.05Å; L223-L252 HydrophobicContact CD1-CB 4.44Å; L223-L252 HydrophobicContact CD1-CD1 3.44Å; L223-L252 VanDerWaalsContact CD1-CD1 3.44Å; L223-Y360 HydrophobicContact CB-CE2 4.42Å; L223-Y360 HydrophobicContact CD2-CD2 4.17Å; L223-Y360 HydrophobicContact CD2-CE2 4.22Å; L223-Y360 HydrophobicContact CG-CE2 4.47Å |
| 224 | G | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S220 L221 A228 | S220-G224 PolarHBondContact O-N 2.97Å; L221-G224 PolarHBondContact O-N 3.03Å; L221-G224 VanDerWaalsContact O-N 3.16Å; G224-A228 WeakPolarHBondContact O-CB 3.4Å; G224-A228 PolarHBondContact O-N 3.14Å |
| 225 | V | 92.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | I166 L221 L222 F227 A228 L229 | I166-V225 HydrophobicContact CG2-CG1 4.35Å; I166-V225 HydrophobicContact CG2-CG2 4.13Å; L221-V225 HydrophobicContact CD1-CG2 4.48Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 2.99Å; L222-V225 PolarHBondContact O-N 3.36Å; V225-F227 PolarHBondContact O-N 3.17Å; V225-A228 PolarHBondContact O-N 3.07Å; V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 3.35Å |
| 226 | F | 92.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.6 | -50.9 | 178.6 | 175.1 | -94.9 | 0 | 0 | 0 | 111.7 | L222 L223 L229 L230 F244 M248 L252 | L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.24Å; L222-F226 PolarHBondContact O-N 3.09Å; L223-F226 PolarHBondContact O-N 3.38Å; F226-L229 PolarHBondContact O-N 3.32Å; F226-L230 HydrophobicContact CE1-CD2 4.35Å; F226-L230 WeakPolarHBondContact O-CB 3.47Å; F226-L230 PolarHBondContact O-N 3.48Å; F226-F244 HydrophobicContact CE1-CE1 4.5Å; F226-M248 HydrophobicContact CD1-CG 4.38Å; F226-M248 HydrophobicContact CE1-CG 3.6Å; F226-M248 HydrophobicContact CZ-CE 4.27Å; F226-M248 HydrophobicContact CZ-CG 4.03Å; F226-M248 HydrophobicContact CZ-SD 4.44Å; F226-L252 HydrophobicContact CD1-CD1 4.49Å |
| 227 | F | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.2 | -34.1 | -179.6 | -76.2 | -58.6 | 0 | 0 | 0 | 113.6 | L223 V225 L229 L230 F231 F245 M248 T249 F364 | L223-F227 HydrophobicContact CD1-CD2 3.93Å; L223-F227 HydrophobicContact CD1-CE2 3.42Å; L223-F227 VanDerWaalsContact CD1-CE2 3.42Å; L223-F227 HydrophobicContact CD1-CZ 4.43Å; L223-F227 HydrophobicContact CG-CD2 3.94Å; L223-F227 HydrophobicContact CG-CE2 3.87Å; L223-F227 VanDerWaalsContact O-CD2 3.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.3Å; L223-F227 PolarHBondContact O-N 2.85Å; V225-F227 PolarHBondContact O-N 3.17Å; F227-L229 VanDerWaalsContact C-N 3.28Å; F227-L229 PolarHBondContact O-N 3.46Å; F227-L230 HydrophobicContact CD1-CD2 3.84Å; F227-L230 HydrophobicContact CE1-CD2 4.1Å; F227-L230 PolarHBondContact O-N 2.79Å; F227-F231 HydrophobicContact CB-CD2 4.01Å; F227-F231 HydrophobicContact CB-CE2 3.91Å; F227-F231 HydrophobicContact CD1-CD2 4.4Å; F227-F231 AromaticContact CD1-CE2 3.7Å; F227-F231 HydrophobicContact CD1-CE2 3.7Å; F227-F231 HydrophobicContact CD1-CZ 4.06Å; F227-F231 HydrophobicContact CG-CE2 4.08Å; F227-F231 WeakPolarHBondContact O-CB 3.28Å; F227-F231 WeakPolarHBondContact O-CD2 3.32Å; F227-F231 WeakPolarHBondContact O-CG 3.2Å; F227-F231 PolarHBondContact O-N 3.2Å; F227-F245 HydrophobicContact CB-CE2 4.47Å; F227-F245 AromaticContact CD1-CD2 3.62Å; F227-F245 HydrophobicContact CD1-CD2 3.62Å; F227-F245 HydrophobicContact CD1-CE2 4.17Å; F227-F245 AromaticContact CD2-CD2 3.63Å; F227-F245 HydrophobicContact CD2-CD2 3.63Å; F227-F245 AromaticContact CD2-CE2 3.36Å; F227-F245 HydrophobicContact CD2-CE2 3.36Å; F227-F245 HydrophobicContact CD2-CZ 4.36Å; F227-F245 HydrophobicContact CE1-CB 4.14Å; F227-F245 AromaticContact CE1-CD2 3.49Å; F227-F245 HydrophobicContact CE1-CD2 3.49Å; F227-F245 VanDerWaalsContact CE1-CD2 3.49Å; F227-F245 HydrophobicContact CE1-CE2 4.26Å; F227-F245 HydrophobicContact CE1-CG 4.13Å; F227-F245 AromaticContact CE2-CD2 3.45Å; F227-F245 HydrophobicContact CE2-CD2 3.45Å; F227-F245 VanDerWaalsContact CE2-CD2 3.45Å; F227-F245 AromaticContact CE2-CE2 3.41Å; F227-F245 HydrophobicContact CE2-CE2 3.41Å; F227-F245 VanDerWaalsContact CE2-CE2 3.41Å; F227-F245 HydrophobicContact CE2-CG 4.26Å; F227-F245 HydrophobicContact CE2-CZ 4.19Å; F227-F245 AromaticContact CG-CD2 3.7Å; F227-F245 HydrophobicContact CG-CD2 3.7Å; F227-F245 AromaticContact CG-CE2 3.76Å; F227-F245 HydrophobicContact CG-CE2 3.76Å; F227-F245 HydrophobicContact CZ-CB 4.25Å; F227-F245 AromaticContact CZ-CD2 3.39Å; F227-F245 HydrophobicContact CZ-CD2 3.39Å; F227-F245 AromaticContact CZ-CE2 3.89Å; F227-F245 HydrophobicContact CZ-CE2 3.89Å; F227-F245 AromaticContact CZ-CG 3.92Å; F227-F245 HydrophobicContact CZ-CG 3.92Å; F227-F245 WeakPolarHBondContact CZ-O 3.33Å; F227-M248 HydrophobicContact CE1-CB 4.37Å; F227-M248 HydrophobicContact CZ-CB 4Å; F227-M248 HydrophobicContact CZ-CG 4.27Å; F227-T249 WeakPolarHBondContact CE2-OG1 3.26Å; F227-F364 HydrophobicContact CB-CD2 4.26Å; F227-F364 HydrophobicContact CB-CE2 3.66Å; F227-F364 HydrophobicContact CB-CZ 3.92Å |
| 228 | A | 91.6 | Very high | 91 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L170 G224 V225 C232 F364 | L170-A228 HydrophobicContact CD1-CB 3.94Å; L170-A228 HydrophobicContact CD2-CB 4.16Å; G224-A228 WeakPolarHBondContact O-CB 3.4Å; G224-A228 PolarHBondContact O-N 3.14Å; V225-A228 PolarHBondContact O-N 3.07Å; A228-C232 PolarHBondContact O-N 3.19Å; A228-C232 PolarHBondContact O-SG 3.32Å; A228-F364 HydrophobicContact CB-CZ 4.13Å |
| 229 | L | 89.4 | Confident | 91 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 175.8 | -68.5 | 173.4 | 0 | 0 | 0 | 112.3 | V225 F226 F227 F231 C232 F233 | V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 3.35Å; F226-L229 PolarHBondContact O-N 3.32Å; F227-L229 VanDerWaalsContact C-N 3.28Å; F227-L229 PolarHBondContact O-N 3.46Å; L229-F231 PolarHBondContact O-N 3.22Å; L229-C232 WeakPolarHBondContact O-CB 3.26Å; L229-C232 PolarHBondContact O-N 3.46Å; L229-F233 VanDerWaalsContact O-CD2 3.26Å; L229-F233 WeakPolarHBondContact O-CD2 3.26Å |
| 230 | L | 89.2 | Confident | 90.9 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 180 | -177.5 | 78.5 | 0 | 0 | 0 | 111.9 | F226 F227 C232 F233 M234 F244 | F226-L230 HydrophobicContact CE1-CD2 4.35Å; F226-L230 WeakPolarHBondContact O-CB 3.47Å; F226-L230 PolarHBondContact O-N 3.48Å; F227-L230 HydrophobicContact CD1-CD2 3.84Å; F227-L230 HydrophobicContact CE1-CD2 4.1Å; F227-L230 PolarHBondContact O-N 2.79Å; L230-C232 PolarHBondContact O-N 3.18Å; L230-F233 PolarHBondContact O-N 3.34Å; L230-M234 HydrophobicContact CD2-CE 3.75Å; L230-M234 HydrophobicContact CG-CE 4.16Å; L230-M234 PolarHBondContact O-N 3.04Å; L230-F244 HydrophobicContact CD1-CE1 4.29Å; L230-F244 HydrophobicContact CD2-CD1 3.72Å; L230-F244 HydrophobicContact CD2-CE1 3.37Å; L230-F244 HydrophobicContact CD2-CZ 4.46Å; L230-F244 HydrophobicContact CG-CE1 4.46Å |
| 231 | F | 90.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -1.8 | -177.3 | -64.6 | -51.4 | 0 | 0 | 0 | 113.8 | F227 L229 M234 F245 F364 I366 | F227-F231 HydrophobicContact CB-CD2 4.01Å; F227-F231 HydrophobicContact CB-CE2 3.91Å; F227-F231 HydrophobicContact CD1-CD2 4.4Å; F227-F231 AromaticContact CD1-CE2 3.7Å; F227-F231 HydrophobicContact CD1-CE2 3.7Å; F227-F231 HydrophobicContact CD1-CZ 4.06Å; F227-F231 HydrophobicContact CG-CE2 4.08Å; F227-F231 WeakPolarHBondContact O-CB 3.28Å; F227-F231 WeakPolarHBondContact O-CD2 3.32Å; F227-F231 WeakPolarHBondContact O-CG 3.2Å; F227-F231 PolarHBondContact O-N 3.2Å; L229-F231 PolarHBondContact O-N 3.22Å; F231-M234 WeakPolarHBondContact CA-O 3.26Å; F231-M234 HydrophobicContact CD1-CE 3.96Å; F231-M234 HydrophobicContact CE1-CE 3.51Å; F231-F245 HydrophobicContact CE2-CD2 4Å; F231-F245 HydrophobicContact CZ-CB 4.35Å; F231-F245 HydrophobicContact CZ-CD2 4.17Å; F231-F364 HydrophobicContact CB-CD1 4.25Å; F231-F364 HydrophobicContact CB-CE1 4.41Å; F231-F364 HydrophobicContact CD2-CB 3.97Å; F231-F364 AromaticContact CD2-CD1 3.36Å; F231-F364 HydrophobicContact CD2-CD1 3.36Å; F231-F364 HydrophobicContact CD2-CD2 4.07Å; F231-F364 AromaticContact CD2-CE1 3.75Å; F231-F364 HydrophobicContact CD2-CE1 3.75Å; F231-F364 HydrophobicContact CD2-CE2 4.42Å; F231-F364 AromaticContact CD2-CG 3.54Å; F231-F364 HydrophobicContact CD2-CG 3.54Å; F231-F364 HydrophobicContact CD2-CZ 4.26Å; F231-F364 HydrophobicContact CE2-CB 3.84Å; F231-F364 HydrophobicContact CE2-CD1 4.04Å; F231-F364 HydrophobicContact CE2-CD2 4.01Å; F231-F364 AromaticContact CE2-CG 3.71Å; F231-F364 HydrophobicContact CE2-CG 3.71Å; F231-F364 HydrophobicContact CG-CD1 4.17Å; F231-I366 HydrophobicContact CE2-CD1 4.01Å; F231-I366 HydrophobicContact CZ-CD1 3.74Å |
| 232 | C | 86 | Confident | 90.9 | Very high | 92 Ų | 92 | 66.1 Ų | 66.1 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25 | 160.4 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | A228 L229 L230 | A228-C232 PolarHBondContact O-N 3.19Å; A228-C232 PolarHBondContact O-SG 3.32Å; L229-C232 WeakPolarHBondContact O-CB 3.26Å; L229-C232 PolarHBondContact O-N 3.46Å; L230-C232 PolarHBondContact O-N 3.18Å |
| 233 | F | 87.6 | Confident | 90.9 | Very high | 186 Ų | 186 | 67 Ų | 67 | 82% | 0.816 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -8.5 | -175.5 | -58.4 | -76.4 | 0 | 0 | 0 | 113.7 | L229 L230 | L229-F233 VanDerWaalsContact O-CD2 3.26Å; L229-F233 WeakPolarHBondContact O-CD2 3.26Å; L230-F233 PolarHBondContact O-N 3.34Å |
| 234 | M | 88.2 | Confident | 90.9 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -137.8 | 137.8 | -174 | -171.8 | 174.1 | 73 | 0 | 0 | 111.2 | L230 F231 S236 F244 | L230-M234 HydrophobicContact CD2-CE 3.75Å; L230-M234 HydrophobicContact CG-CE 4.16Å; L230-M234 PolarHBondContact O-N 3.04Å; F231-M234 WeakPolarHBondContact CA-O 3.26Å; F231-M234 HydrophobicContact CD1-CE 3.96Å; F231-M234 HydrophobicContact CE1-CE 3.51Å; M234-S236 PolarHBondContact O-N 2.8Å; M234-F244 HydrophobicContact CE-CD1 4.2Å |
| 235 | E | 88 | Confident | 91 | Very high | 152 Ų | 152 | 69.3 Ų | 69.3 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | trans | -67.8 | 125.6 | 174.4 | -67.5 | -177.1 | 179.4 | 0 | 0 | 110.9 | S241 | E235-S241 WeakPolarHBondContact O-CB 3.18Å; E235-S241 PolarHBondContact O-OG 3.29Å | ||
| 236 | S | 87.9 | Confident | 91.1 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 16% | 0.161 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.3 | -175.1 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | M234 T238 F364 | M234-S236 PolarHBondContact O-N 2.8Å; S236-T238 VanDerWaalsContact C-N 3.3Å; S236-T238 PolarHBondContact O-N 2.81Å; S236-F364 WeakPolarHBondContact CB-O 3.45Å; S236-F364 PolarHBondContact OG-O 3.34Å |
| 237 | E | 89.6 | Confident | 91.2 | Very high | 108 Ų | 108 | 73.3 Ų | 73.3 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.4 | -170.8 | -61.3 | -171.3 | -170.8 | 0 | 0 | 114.6 | R365 L367 | E237-R365 HydrophobicContact CG-CB 4.13Å; E237-R365 WeakPolarHBondContact OE1-CD 3.14Å; E237-R365 IonicContact OE1-CZ 3.33Å; E237-R365 IonicContact OE1-NE 3.52Å; E237-R365 IonicContact OE1-NH1 2.63Å; E237-R365 PolarHBondContact OE1-NH1 3.36Å; E237-L367 WeakPolarHBondContact O-CD1 3.22Å |
| 238 | T | 92.2 | Very high | 91.1 | Very high | 51 Ų | 51 | 75.6 Ų | 75.6 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -90.6 | 154.2 | 178 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | S236 V240 S241 S242 | S236-T238 VanDerWaalsContact C-N 3.3Å; S236-T238 PolarHBondContact O-N 2.81Å; T238-V240 PolarHBondContact O-N 3.23Å; T238-S241 PolarHBondContact O-N 3.49Å; T238-S241 WeakPolarHBondContact OG1-CB 3.4Å; T238-S241 PolarHBondContact OG1-N 3.12Å; T238-S241 VanDerWaalsContact OG1-N 3.08Å; T238-S241 PolarHBondContact OG1-OG 3.48Å; T238-S242 WeakPolarHBondContact O-CB 3.46Å; T238-S242 PolarHBondContact O-N 3.37Å; T238-S242 PolarHBondContact O-OG 3.49Å |
| 239 | W | 93.1 | Very high | 91.3 | Very high | 176 Ų | 176 | 75.6 Ų | 75.6 | 67% | 0.667 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.1 | -33.6 | 172.9 | -76.7 | 101.1 | 0 | 0 | 0 | 112.4 | S242 L243 L367 P368 | W239-S242 PolarHBondContact O-N 2.85Å; W239-L243 WeakPolarHBondContact O-CB 3.48Å; W239-L243 PolarHBondContact O-N 2.88Å; W239-L367 HydrophobicContact CD2-CB 4.31Å; W239-L367 HydrophobicContact CD2-CD1 3.87Å; W239-L367 HydrophobicContact CE3-CB 4.11Å; W239-L367 HydrophobicContact CE3-CD1 4.48Å; W239-L367 HydrophobicContact CG-CD1 3.9Å; W239-L367 HydrophobicContact CH2-CB 4.38Å; W239-L367 HydrophobicContact CZ3-CB 4.15Å; W239-P368 HydrophobicContact CH2-CB 4.16Å |
| 240 | V | 92.9 | Very high | 91.5 | Very high | 116 Ų | 116 | 73.1 Ų | 73.1 | 70% | 0.703 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.7 | -49.6 | 178 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | T238 S242 L243 F244 | T238-V240 PolarHBondContact O-N 3.23Å; V240-S242 VanDerWaalsContact C-N 3.27Å; V240-S242 PolarHBondContact O-N 3.49Å; V240-L243 PolarHBondContact O-N 3.32Å; V240-F244 WeakPolarHBondContact O-CB 3.42Å; V240-F244 PolarHBondContact O-N 3.28Å |
| 241 | S | 92.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 75.1 Ų | 75.1 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.2 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | E235 T238 F244 F245 | E235-S241 WeakPolarHBondContact O-CB 3.18Å; E235-S241 PolarHBondContact O-OG 3.29Å; T238-S241 PolarHBondContact O-N 3.49Å; T238-S241 WeakPolarHBondContact OG1-CB 3.4Å; T238-S241 PolarHBondContact OG1-N 3.12Å; T238-S241 VanDerWaalsContact OG1-N 3.08Å; T238-S241 PolarHBondContact OG1-OG 3.48Å; S241-F244 PolarHBondContact O-N 2.62Å; S241-F245 WeakPolarHBondContact O-CB 3.48Å; S241-F245 PolarHBondContact O-N 3.11Å |
| 242 | S | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | T238 W239 V240 F244 F245 H246 L367 | T238-S242 WeakPolarHBondContact O-CB 3.46Å; T238-S242 PolarHBondContact O-N 3.37Å; T238-S242 PolarHBondContact O-OG 3.49Å; W239-S242 PolarHBondContact O-N 2.85Å; V240-S242 VanDerWaalsContact C-N 3.27Å; V240-S242 PolarHBondContact O-N 3.49Å; S242-F244 VanDerWaalsContact C-N 3.31Å; S242-F244 PolarHBondContact O-N 3.38Å; S242-F245 WeakPolarHBondContact O-CB 3.33Å; S242-F245 PolarHBondContact O-N 2.98Å; S242-H246 PolarHBondContact O-N 3.48Å; S242-H246 PolarHBondContact O-ND1 3.25Å; S242-L367 PolarHBondContact OG-N 2.95Å |
| 243 | L | 93.8 | Very high | 91.9 | Very high | 114 Ų | 114 | 74 Ų | 74 | 60% | 0.597 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 173.7 | -178.6 | 65.3 | 0 | 0 | 0 | 110.7 | W239 V240 F245 H246 M247 | W239-L243 WeakPolarHBondContact O-CB 3.48Å; W239-L243 PolarHBondContact O-N 2.88Å; V240-L243 PolarHBondContact O-N 3.32Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 2.96Å; L243-H246 PolarHBondContact O-N 3.27Å; L243-M247 HydrophobicContact CD1-CG 4.19Å; L243-M247 HydrophobicContact CG-CG 4.3Å; L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 VanDerWaalsContact O-CG 3.27Å; L243-M247 WeakPolarHBondContact O-CG 3.48Å; L243-M247 PolarHBondContact O-N 3.5Å |
| 244 | F | 92.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 70.4 Ų | 70.4 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.2 | -176.7 | -91.1 | 0 | 0 | 0 | 111.7 | F226 L230 M234 V240 S241 S242 H246 M247 M248 | F226-F244 HydrophobicContact CE1-CE1 4.5Å; L230-F244 HydrophobicContact CD1-CE1 4.29Å; L230-F244 HydrophobicContact CD2-CD1 3.72Å; L230-F244 HydrophobicContact CD2-CE1 3.37Å; L230-F244 HydrophobicContact CD2-CZ 4.46Å; L230-F244 HydrophobicContact CG-CE1 4.46Å; M234-F244 HydrophobicContact CE-CD1 4.2Å; V240-F244 WeakPolarHBondContact O-CB 3.42Å; V240-F244 PolarHBondContact O-N 3.28Å; S241-F244 PolarHBondContact O-N 2.62Å; S242-F244 VanDerWaalsContact C-N 3.31Å; S242-F244 PolarHBondContact O-N 3.38Å; F244-H246 PolarHBondContact O-N 3.1Å; F244-M247 PolarHBondContact O-N 3.33Å; F244-M248 HydrophobicContact CE1-CB 4.23Å; F244-M248 HydrophobicContact CE1-CE 4.28Å; F244-M248 HydrophobicContact CE2-CE 4.07Å; F244-M248 HydrophobicContact CZ-CE 3.56Å; F244-M248 VanDerWaalsContact O-CB 3.23Å; F244-M248 WeakPolarHBondContact O-CB 3.46Å; F244-M248 PolarHBondContact O-N 2.63Å |
| 245 | F | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.5 | -51.8 | 175.4 | 176.9 | -88.1 | 0 | 0 | 0 | 111.7 | F227 F231 S241 S242 L243 M248 T249 L357 V361 F364 I366 | F227-F245 HydrophobicContact CB-CE2 4.47Å; F227-F245 AromaticContact CD1-CD2 3.62Å; F227-F245 HydrophobicContact CD1-CD2 3.62Å; F227-F245 HydrophobicContact CD1-CE2 4.17Å; F227-F245 AromaticContact CD2-CD2 3.63Å; F227-F245 HydrophobicContact CD2-CD2 3.63Å; F227-F245 AromaticContact CD2-CE2 3.36Å; F227-F245 HydrophobicContact CD2-CE2 3.36Å; F227-F245 HydrophobicContact CD2-CZ 4.36Å; F227-F245 HydrophobicContact CE1-CB 4.14Å; F227-F245 AromaticContact CE1-CD2 3.49Å; F227-F245 HydrophobicContact CE1-CD2 3.49Å; F227-F245 VanDerWaalsContact CE1-CD2 3.49Å; F227-F245 HydrophobicContact CE1-CE2 4.26Å; F227-F245 HydrophobicContact CE1-CG 4.13Å; F227-F245 AromaticContact CE2-CD2 3.45Å; F227-F245 HydrophobicContact CE2-CD2 3.45Å; F227-F245 VanDerWaalsContact CE2-CD2 3.45Å; F227-F245 AromaticContact CE2-CE2 3.41Å; F227-F245 HydrophobicContact CE2-CE2 3.41Å; F227-F245 VanDerWaalsContact CE2-CE2 3.41Å; F227-F245 HydrophobicContact CE2-CG 4.26Å; F227-F245 HydrophobicContact CE2-CZ 4.19Å; F227-F245 AromaticContact CG-CD2 3.7Å; F227-F245 HydrophobicContact CG-CD2 3.7Å; F227-F245 AromaticContact CG-CE2 3.76Å; F227-F245 HydrophobicContact CG-CE2 3.76Å; F227-F245 HydrophobicContact CZ-CB 4.25Å; F227-F245 AromaticContact CZ-CD2 3.39Å; F227-F245 HydrophobicContact CZ-CD2 3.39Å; F227-F245 AromaticContact CZ-CE2 3.89Å; F227-F245 HydrophobicContact CZ-CE2 3.89Å; F227-F245 AromaticContact CZ-CG 3.92Å; F227-F245 HydrophobicContact CZ-CG 3.92Å; F227-F245 WeakPolarHBondContact CZ-O 3.33Å; F231-F245 HydrophobicContact CE2-CD2 4Å; F231-F245 HydrophobicContact CZ-CB 4.35Å; F231-F245 HydrophobicContact CZ-CD2 4.17Å; S241-F245 WeakPolarHBondContact O-CB 3.48Å; S241-F245 PolarHBondContact O-N 3.11Å; S242-F245 WeakPolarHBondContact O-CB 3.33Å; S242-F245 PolarHBondContact O-N 2.98Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 2.96Å; F245-M248 PolarHBondContact O-N 2.96Å; F245-T249 VanDerWaalsContact O-CB 3.32Å; F245-T249 WeakPolarHBondContact O-CB 3.39Å; F245-T249 PolarHBondContact O-N 2.81Å; F245-T249 PolarHBondContact O-OG1 2.84Å; F245-L357 HydrophobicContact CE1-CD1 4.22Å; F245-L357 HydrophobicContact CZ-CD1 4.21Å; F245-V361 HydrophobicContact CE1-CG2 3.91Å; F245-V361 HydrophobicContact CZ-CG2 4.34Å; F245-F364 HydrophobicContact CE2-CD2 4.34Å; F245-I366 HydrophobicContact CB-CD1 3.94Å; F245-I366 HydrophobicContact CB-CG1 4.43Å; F245-I366 HydrophobicContact CB-CG2 4.33Å; F245-I366 HydrophobicContact CD1-CB 4.46Å; F245-I366 HydrophobicContact CD1-CD1 4.43Å; F245-I366 HydrophobicContact CD1-CG1 4.01Å; F245-I366 HydrophobicContact CD1-CG2 3.8Å; F245-I366 HydrophobicContact CD2-CD1 3.93Å; F245-I366 HydrophobicContact CD2-CG1 4.04Å; F245-I366 HydrophobicContact CE1-CG1 4.26Å; F245-I366 HydrophobicContact CE1-CG2 4.42Å; F245-I366 HydrophobicContact CE2-CG1 4.29Å; F245-I366 HydrophobicContact CG-CD1 3.85Å; F245-I366 HydrophobicContact CG-CG1 3.9Å; F245-I366 HydrophobicContact CG-CG2 4.19Å; F245-I366 HydrophobicContact CZ-CG1 4.39Å |
| 246 | H | 94.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 66.6 Ų | 66.6 | 38% | 0.375 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | -179 | -67.5 | 90.3 | 0 | 0 | 0 | 112.2 | S242 L243 F244 T249 A250 I366 L367 | S242-H246 PolarHBondContact O-N 3.48Å; S242-H246 PolarHBondContact O-ND1 3.25Å; L243-H246 PolarHBondContact O-N 3.27Å; F244-H246 PolarHBondContact O-N 3.1Å; H246-T249 PolarHBondContact O-N 3.32Å; H246-A250 WeakPolarHBondContact O-CB 3.47Å; H246-A250 PolarHBondContact O-N 3.38Å; H246-I366 WeakPolarHBondContact CE1-CG2 3.42Å; H246-L367 PolarHBondContact CE1-O 3.03Å |
| 247 | M | 93.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 67 Ų | 67 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 178.2 | -73.1 | -62.1 | -63.5 | 0 | 0 | 111.5 | L243 F244 A250 V251 | L243-M247 HydrophobicContact CD1-CG 4.19Å; L243-M247 HydrophobicContact CG-CG 4.3Å; L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 VanDerWaalsContact O-CG 3.27Å; L243-M247 WeakPolarHBondContact O-CG 3.48Å; L243-M247 PolarHBondContact O-N 3.5Å; F244-M247 PolarHBondContact O-N 3.33Å; M247-A250 WeakPolarHBondContact O-CB 3.28Å; M247-A250 PolarHBondContact O-N 3.42Å; M247-V251 WeakPolarHBondContact O-CG2 3.33Å; M247-V251 PolarHBondContact O-N 3.49Å |
| 248 | M | 91.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 63 Ų | 63 | 23% | 0.232 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 179.5 | -172.5 | 61.5 | 73.9 | 0 | 0 | 111.8 | F226 F227 F244 F245 A250 V251 L252 | F226-M248 HydrophobicContact CD1-CG 4.38Å; F226-M248 HydrophobicContact CE1-CG 3.6Å; F226-M248 HydrophobicContact CZ-CE 4.27Å; F226-M248 HydrophobicContact CZ-CG 4.03Å; F226-M248 HydrophobicContact CZ-SD 4.44Å; F227-M248 HydrophobicContact CE1-CB 4.37Å; F227-M248 HydrophobicContact CZ-CB 4Å; F227-M248 HydrophobicContact CZ-CG 4.27Å; F244-M248 HydrophobicContact CE1-CB 4.23Å; F244-M248 HydrophobicContact CE1-CE 4.28Å; F244-M248 HydrophobicContact CE2-CE 4.07Å; F244-M248 HydrophobicContact CZ-CE 3.56Å; F244-M248 VanDerWaalsContact O-CB 3.23Å; F244-M248 WeakPolarHBondContact O-CB 3.46Å; F244-M248 PolarHBondContact O-N 2.63Å; F245-M248 PolarHBondContact O-N 2.96Å; M248-A250 VanDerWaalsContact C-N 3.29Å; M248-A250 PolarHBondContact O-N 3.49Å; M248-V251 PolarHBondContact O-N 3Å; M248-V251 HydrophobicContact SD-CB 4.43Å; M248-V251 HydrophobicContact SD-CG1 4.44Å; M248-L252 HydrophobicContact CG-CD1 4.13Å; M248-L252 HydrophobicContact CG-CG 4.41Å; M248-L252 WeakPolarHBondContact O-CB 3.34Å; M248-L252 WeakPolarHBondContact O-CG 3.36Å; M248-L252 PolarHBondContact O-N 2.92Å; M248-L252 HydrophobicContact SD-CG 4.42Å |
| 249 | T | 94.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | L223 F227 F245 H246 V251 L252 V253 L357 | L223-T249 HydrophobicContact CD1-CG2 4.39Å; L223-T249 HydrophobicContact CD2-CG2 4.05Å; F227-T249 WeakPolarHBondContact CE2-OG1 3.26Å; F245-T249 VanDerWaalsContact O-CB 3.32Å; F245-T249 WeakPolarHBondContact O-CB 3.39Å; F245-T249 PolarHBondContact O-N 2.81Å; F245-T249 PolarHBondContact O-OG1 2.84Å; H246-T249 PolarHBondContact O-N 3.32Å; T249-V251 PolarHBondContact O-N 2.82Å; T249-L252 PolarHBondContact O-N 2.93Å; T249-V253 HydrophobicContact CG2-CG2 4.23Å; T249-V253 WeakPolarHBondContact O-CB 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.47Å; T249-V253 PolarHBondContact O-N 3.4Å; T249-L357 HydrophobicContact CG2-CD1 4.25Å |
| 250 | A | 94.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H246 M247 M248 V253 L254 | H246-A250 WeakPolarHBondContact O-CB 3.47Å; H246-A250 PolarHBondContact O-N 3.38Å; M247-A250 WeakPolarHBondContact O-CB 3.28Å; M247-A250 PolarHBondContact O-N 3.42Å; M248-A250 VanDerWaalsContact C-N 3.29Å; M248-A250 PolarHBondContact O-N 3.49Å; A250-V253 PolarHBondContact O-N 2.64Å; A250-L254 WeakPolarHBondContact O-CB 3.4Å; A250-L254 VanDerWaalsContact O-CG 3.26Å; A250-L254 WeakPolarHBondContact O-CG 3.35Å; A250-L254 PolarHBondContact O-N 3.01Å |
| 251 | V | 93.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | M247 M248 T249 G255 | M247-V251 WeakPolarHBondContact O-CG2 3.33Å; M247-V251 PolarHBondContact O-N 3.49Å; M248-V251 PolarHBondContact O-N 3Å; M248-V251 HydrophobicContact SD-CB 4.43Å; M248-V251 HydrophobicContact SD-CG1 4.44Å; T249-V251 PolarHBondContact O-N 2.82Å; V251-G255 WeakPolarHBondContact O-CA 3.23Å; V251-G255 PolarHBondContact O-N 2.99Å |
| 252 | L | 90.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.199 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 178.7 | -69.2 | 171.2 | 0 | 0 | 0 | 111.6 | L223 F226 M248 T249 I256 L257 | L223-L252 HydrophobicContact CD1-CB 4.44Å; L223-L252 HydrophobicContact CD1-CD1 3.44Å; L223-L252 VanDerWaalsContact CD1-CD1 3.44Å; F226-L252 HydrophobicContact CD1-CD1 4.49Å; M248-L252 HydrophobicContact CG-CD1 4.13Å; M248-L252 HydrophobicContact CG-CG 4.41Å; M248-L252 WeakPolarHBondContact O-CB 3.34Å; M248-L252 WeakPolarHBondContact O-CG 3.36Å; M248-L252 PolarHBondContact O-N 2.92Å; M248-L252 HydrophobicContact SD-CG 4.42Å; T249-L252 PolarHBondContact O-N 2.93Å; L252-I256 HydrophobicContact CD2-CD1 3.53Å; L252-I256 HydrophobicContact CD2-CG1 4.37Å; L252-I256 WeakPolarHBondContact O-CA 3.2Å; L252-I256 VanDerWaalsContact O-CB 3.31Å; L252-I256 WeakPolarHBondContact O-CB 3.38Å; L252-I256 PolarHBondContact O-N 3.32Å; L252-L257 PolarHBondContact O-N 2.92Å |
| 253 | V | 91.7 | Very high | 92.1 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -67 | -51.6 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | T249 A250 L257 M258 | T249-V253 HydrophobicContact CG2-CG2 4.23Å; T249-V253 WeakPolarHBondContact O-CB 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.47Å; T249-V253 PolarHBondContact O-N 3.4Å; A250-V253 PolarHBondContact O-N 2.64Å; V253-L257 HydrophobicContact CG2-CD1 4.25Å; V253-L257 PolarHBondContact O-N 3.02Å; V253-M258 VanDerWaalsContact O-CB 3.3Å; V253-M258 WeakPolarHBondContact O-CB 3.28Å; V253-M258 WeakPolarHBondContact O-CG 3.17Å; V253-M258 PolarHBondContact O-N 3.38Å |
| 254 | L | 92.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -79.3 | -31.4 | -175.2 | -62 | 175.6 | 0 | 0 | 0 | 113.1 | A250 M258 P259 | A250-L254 WeakPolarHBondContact O-CB 3.4Å; A250-L254 VanDerWaalsContact O-CG 3.26Å; A250-L254 WeakPolarHBondContact O-CG 3.35Å; A250-L254 PolarHBondContact O-N 3.01Å; L254-M258 HydrophobicContact CD2-CG 4.41Å; L254-P259 WeakPolarHBondContact O-CD 3.39Å |
| 255 | G | 90.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 52 Ų | 52 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -95.7 | -23.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V251 | V251-G255 WeakPolarHBondContact O-CA 3.23Å; V251-G255 PolarHBondContact O-N 2.99Å |
| 256 | I | 90 | Very high | 91.1 | Very high | 84 Ų | 84 | 55 Ų | 55 | 43% | 0.431 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -117.7 | -61.7 | 179.5 | -53.3 | -175.2 | 0 | 0 | 0 | 110.9 | L252 M258 P259 W260 | L252-I256 HydrophobicContact CD2-CD1 3.53Å; L252-I256 HydrophobicContact CD2-CG1 4.37Å; L252-I256 WeakPolarHBondContact O-CA 3.2Å; L252-I256 VanDerWaalsContact O-CB 3.31Å; L252-I256 WeakPolarHBondContact O-CB 3.38Å; L252-I256 PolarHBondContact O-N 3.32Å; I256-M258 PolarHBondContact O-N 3.09Å; I256-P259 WeakPolarHBondContact O-CD 3.33Å; I256-W260 HydrophobicContact CG2-CE3 4.4Å; I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.46Å |
| 257 | L | 90.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -66.3 | -42.5 | -171.2 | -59.7 | -179.2 | 0 | 0 | 0 | 112.9 | V215 G219 L252 V253 W260 L261 | V215-L257 HydrophobicContact CG1-CD2 4.06Å; G219-L257 VanDerWaalsContact CA-CD2 3.42Å; L252-L257 PolarHBondContact O-N 2.92Å; V253-L257 HydrophobicContact CG2-CD1 4.25Å; V253-L257 PolarHBondContact O-N 3.02Å; L257-W260 PolarHBondContact O-N 3.21Å; L257-L261 WeakPolarHBondContact O-CB 2.96Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.71Å |
| 258 | M | 91.8 | Very high | 90.7 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -51.8 | 179.6 | -84.6 | -65.6 | -64.5 | 0 | 0 | 112.5 | V253 L254 I256 W260 L261 S262 H268 P269 I270 | V253-M258 VanDerWaalsContact O-CB 3.3Å; V253-M258 WeakPolarHBondContact O-CB 3.28Å; V253-M258 WeakPolarHBondContact O-CG 3.17Å; V253-M258 PolarHBondContact O-N 3.38Å; L254-M258 HydrophobicContact CD2-CG 4.41Å; I256-M258 PolarHBondContact O-N 3.09Å; M258-W260 VanDerWaalsContact C-N 3.29Å; M258-W260 PolarHBondContact O-N 3.46Å; M258-L261 PolarHBondContact O-N 2.69Å; M258-S262 WeakPolarHBondContact O-CB 3.36Å; M258-S262 PolarHBondContact O-N 2.79Å; M258-H268 WeakPolarHBondContact CE-NE2 3.37Å; M258-P269 HydrophobicContact CE-CB 3.92Å; M258-P269 HydrophobicContact CE-CG 3.91Å; M258-P269 WeakPolarHBondContact O-CG 3.4Å; M258-P269 HydrophobicContact SD-CB 3.87Å; M258-P269 HydrophobicContact SD-CG 4.05Å; M258-I270 HydrophobicContact CE-CB 4.45Å; M258-I270 HydrophobicContact CE-CD1 3.76Å; M258-I270 HydrophobicContact CE-CG1 3.62Å; M258-I270 HydrophobicContact SD-CD1 4.47Å; M258-I270 HydrophobicContact SD-CG1 4.19Å |
| 259 | P | 91.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 173.2 | -28.3 | 36.9 | 0 | 0 | 0 | 112.5 | L254 I256 L261 S262 L263 | L254-P259 WeakPolarHBondContact O-CD 3.39Å; I256-P259 WeakPolarHBondContact O-CD 3.33Å; P259-L261 PolarHBondContact O-N 3.05Å; P259-S262 WeakPolarHBondContact O-CB 3.32Å; P259-S262 PolarHBondContact O-N 3.36Å; P259-S262 VanDerWaalsContact O-N 3.1Å; P259-L263 WeakPolarHBondContact O-CG 3.48Å; P259-L263 PolarHBondContact O-N 2.9Å |
| 260 | W | 91.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 179.4 | -161.9 | 0.5 | 0 | 0 | 0 | 112.3 | L194 S198 V218 I256 L257 M258 S262 L263 F264 | L194-W260 HydrophobicContact CD1-CZ2 4.03Å; L194-W260 HydrophobicContact CD2-CH2 3.45Å; L194-W260 VanDerWaalsContact CD2-CH2 3.45Å; L194-W260 HydrophobicContact CD2-CZ2 3.56Å; L194-W260 HydrophobicContact CD2-CZ3 4.03Å; L194-W260 HydrophobicContact CG-CH2 3.96Å; L194-W260 HydrophobicContact CG-CZ2 3.54Å; S198-W260 WeakPolarHBondContact OG-CZ2 3.33Å; S198-W260 PolarHBondContact OG-NE1 3.1Å; V218-W260 HydrophobicContact CG1-CH2 4.42Å; V218-W260 HydrophobicContact CG1-CZ3 4.46Å; I256-W260 HydrophobicContact CG2-CE3 4.4Å; I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.46Å; L257-W260 PolarHBondContact O-N 3.21Å; M258-W260 VanDerWaalsContact C-N 3.29Å; M258-W260 PolarHBondContact O-N 3.46Å; W260-S262 VanDerWaalsContact C-N 3.32Å; W260-S262 PolarHBondContact O-N 3.35Å; W260-L263 PolarHBondContact O-N 3.23Å; W260-F264 AromaticContact CD1-CE2 3.4Å; W260-F264 VanDerWaalsContact CD1-CE2 3.4Å; W260-F264 HydrophobicContact CG-CE2 4.42Å; W260-F264 AromaticContact NE1-CE2 3.33Å; W260-F264 VanDerWaalsContact NE1-CE2 3.33Å; W260-F264 AromaticContact NE1-CZ 3.81Å; W260-F264 VanDerWaalsContact O-CD2 3.3Å; W260-F264 WeakPolarHBondContact O-CD2 3.21Å; W260-F264 PolarHBondContact O-N 3.47Å |
| 261 | L | 90.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 170.6 | -79.2 | 170.4 | 0 | 0 | 0 | 111.6 | F212 V215 L257 M258 P259 L263 F264 I265 P269 | F212-L261 HydrophobicContact CD2-CD1 4.25Å; F212-L261 HydrophobicContact CD2-CD2 4.24Å; F212-L261 HydrophobicContact CE2-CD1 4.33Å; V215-L261 HydrophobicContact CB-CD2 3.76Å; V215-L261 HydrophobicContact CB-CG 4.12Å; V215-L261 HydrophobicContact CG1-CD1 4.39Å; V215-L261 HydrophobicContact CG1-CD2 4.01Å; V215-L261 HydrophobicContact CG1-CG 3.77Å; V215-L261 HydrophobicContact CG2-CD2 3.84Å; V215-L261 HydrophobicContact CG2-CG 4.37Å; L257-L261 WeakPolarHBondContact O-CB 2.96Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.71Å; M258-L261 PolarHBondContact O-N 2.69Å; P259-L261 PolarHBondContact O-N 3.05Å; L261-L263 PolarHBondContact O-N 2.97Å; L261-F264 PolarHBondContact O-N 3.38Å; L261-F264 VanDerWaalsContact O-N 3.11Å; L261-I265 HydrophobicContact CB-CD1 4.34Å; L261-I265 WeakPolarHBondContact O-CB 3.4Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.24Å; L261-I265 PolarHBondContact O-N 3.39Å; L261-P269 HydrophobicContact CB-CB 4.1Å; L261-P269 HydrophobicContact CB-CG 3.5Å; L261-P269 HydrophobicContact CD1-CB 4.48Å |
| 262 | S | 91 | Very high | 90.4 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 179.4 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | M258 P259 W260 F264 G266 R267 | M258-S262 WeakPolarHBondContact O-CB 3.36Å; M258-S262 PolarHBondContact O-N 2.79Å; P259-S262 WeakPolarHBondContact O-CB 3.32Å; P259-S262 PolarHBondContact O-N 3.36Å; P259-S262 VanDerWaalsContact O-N 3.1Å; W260-S262 VanDerWaalsContact C-N 3.32Å; W260-S262 PolarHBondContact O-N 3.35Å; S262-F264 VanDerWaalsContact C-N 3.35Å; S262-G266 WeakPolarHBondContact O-CA 3.34Å; S262-G266 PolarHBondContact O-N 3.05Å; S262-R267 PolarHBondContact OG-O 3.44Å |
| 263 | L | 89.1 | Confident | 90.6 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.5 | -38.6 | 176.4 | -69.4 | 172.9 | 0 | 0 | 0 | 112.1 | L201 P259 W260 L261 | L201-L263 HydrophobicContact CD2-CB 4Å; L201-L263 HydrophobicContact CD2-CD1 4.26Å; L201-L263 HydrophobicContact CD2-CD2 4.15Å; L201-L263 HydrophobicContact CD2-CG 4.36Å; P259-L263 WeakPolarHBondContact O-CG 3.48Å; P259-L263 PolarHBondContact O-N 2.9Å; W260-L263 PolarHBondContact O-N 3.23Å; L261-L263 PolarHBondContact O-N 2.97Å |
| 264 | F | 87.6 | Confident | 90.7 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80 | -37.6 | 178.8 | -69.6 | -58.2 | 0 | 0 | 0 | 113.6 | L194 R197 S198 V204 Y211 V215 W260 L261 S262 G266 | L194-F264 HydrophobicContact CD1-CE2 3.69Å; L194-F264 HydrophobicContact CD1-CZ 4.05Å; R197-F264 HydrophobicContact CB-CE1 3.82Å; R197-F264 HydrophobicContact CB-CZ 4.04Å; S198-F264 WeakPolarHBondContact OG-CZ 3.27Å; V204-F264 HydrophobicContact CG1-CD1 3.99Å; V204-F264 HydrophobicContact CG2-CD1 3.81Å; V204-F264 HydrophobicContact CG2-CE1 3.98Å; Y211-F264 HydrophobicContact CD1-CB 4.03Å; Y211-F264 AromaticContact CD1-CD1 3.84Å; Y211-F264 HydrophobicContact CD1-CD1 3.84Å; Y211-F264 HydrophobicContact CD1-CD2 4.46Å; Y211-F264 HydrophobicContact CD1-CE1 4.43Å; Y211-F264 AromaticContact CD1-CG 3.87Å; Y211-F264 HydrophobicContact CD1-CG 3.87Å; Y211-F264 HydrophobicContact CD2-CB 4.17Å; Y211-F264 HydrophobicContact CE1-CD1 4.05Å; Y211-F264 HydrophobicContact CE1-CG 4.48Å; Y211-F264 HydrophobicContact CG-CB 3.78Å; Y211-F264 HydrophobicContact CG-CD1 4.46Å; Y211-F264 HydrophobicContact CG-CG 4.09Å; V215-F264 HydrophobicContact CG2-CD2 4.23Å; V215-F264 HydrophobicContact CG2-CE2 4.25Å; W260-F264 AromaticContact CD1-CE2 3.4Å; W260-F264 VanDerWaalsContact CD1-CE2 3.4Å; W260-F264 HydrophobicContact CG-CE2 4.42Å; W260-F264 AromaticContact NE1-CE2 3.33Å; W260-F264 VanDerWaalsContact NE1-CE2 3.33Å; W260-F264 AromaticContact NE1-CZ 3.81Å; W260-F264 VanDerWaalsContact O-CD2 3.3Å; W260-F264 WeakPolarHBondContact O-CD2 3.21Å; W260-F264 PolarHBondContact O-N 3.47Å; L261-F264 PolarHBondContact O-N 3.38Å; L261-F264 VanDerWaalsContact O-N 3.11Å; S262-F264 VanDerWaalsContact C-N 3.35Å; F264-G266 VanDerWaalsContact C-N 3.34Å |
| 265 | I | 86.1 | Confident | 90.7 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -79 | -23.4 | -178 | -61.2 | 176.9 | 0 | 0 | 0 | 110.9 | P208 L261 R267 P269 W272 | P208-I265 HydrophobicContact CB-CG1 4.09Å; P208-I265 HydrophobicContact CB-CG2 4.24Å; P208-I265 HydrophobicContact CG-CG2 4.33Å; L261-I265 HydrophobicContact CB-CD1 4.34Å; L261-I265 WeakPolarHBondContact O-CB 3.4Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.24Å; L261-I265 PolarHBondContact O-N 3.39Å; I265-R267 HydrophobicContact CG2-CB 4.27Å; I265-R267 PolarHBondContact O-N 3.16Å; I265-P269 HydrophobicContact CD1-CB 4.12Å; I265-P269 HydrophobicContact CD1-CG 4.33Å; I265-W272 HydrophobicContact CD1-CD2 4.17Å; I265-W272 HydrophobicContact CD1-CE3 4.04Å; I265-W272 HydrophobicContact CD1-CG 4.49Å; I265-W272 HydrophobicContact CG2-CB 3.94Å; I265-W272 HydrophobicContact CG2-CD2 4.39Å; I265-W272 HydrophobicContact CG2-CG 3.77Å |
| 266 | G | 86.4 | Confident | 90.8 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 70.7 | 7.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S262 F264 | S262-G266 WeakPolarHBondContact O-CA 3.34Å; S262-G266 PolarHBondContact O-N 3.05Å; F264-G266 VanDerWaalsContact C-N 3.34Å |
| 267 | R | 87.9 | Confident | 91 | Very high | 171 Ų | 171 | 58.1 Ų | 58.1 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -147.5 | 163.7 | 179 | -58.6 | -174 | -179.6 | -179.8 | 0.5 | 109.4 | S262 I265 P269 | S262-R267 PolarHBondContact OG-O 3.44Å; I265-R267 HydrophobicContact CG2-CB 4.27Å; I265-R267 PolarHBondContact O-N 3.16Å; R267-P269 WeakPolarHBondContact O-CD 3.31Å |
| 268 | H | 90.9 | Very high | 91.2 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | trans | -60.7 | 122.1 | 175.9 | -171.8 | -104.3 | 0 | 0 | 0 | 111 | M258 I270 M271 W272 | M258-H268 WeakPolarHBondContact CE-NE2 3.37Å; H268-I270 VanDerWaalsContact C-N 3.33Å; H268-I270 PolarHBondContact O-N 3.47Å; H268-M271 HydrophobicContact CB-CB 4.37Å; H268-M271 HydrophobicContact CB-CG 4.16Å; H268-M271 PolarHBondContact O-N 2.92Å; H268-M271 VanDerWaalsContact O-N 3.07Å; H268-W272 PolarHBondContact O-N 3.42Å | ||
| 269 | P | 91.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -34 | -170.7 | -26.7 | 32.9 | 0 | 0 | 0 | 115 | M258 L261 I265 R267 W272 L273 | M258-P269 HydrophobicContact CE-CB 3.92Å; M258-P269 HydrophobicContact CE-CG 3.91Å; M258-P269 WeakPolarHBondContact O-CG 3.4Å; M258-P269 HydrophobicContact SD-CB 3.87Å; M258-P269 HydrophobicContact SD-CG 4.05Å; L261-P269 HydrophobicContact CB-CB 4.1Å; L261-P269 HydrophobicContact CB-CG 3.5Å; L261-P269 HydrophobicContact CD1-CB 4.48Å; I265-P269 HydrophobicContact CD1-CB 4.12Å; I265-P269 HydrophobicContact CD1-CG 4.33Å; R267-P269 WeakPolarHBondContact O-CD 3.31Å; P269-W272 PolarHBondContact O-N 3.37Å; P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 PolarHBondContact O-N 3.5Å |
| 270 | I | 91.4 | Very high | 91.2 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 41% | 0.41 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 177.5 | -66.6 | 169.1 | 0 | 0 | 0 | 110.6 | M258 H268 L273 L274 | M258-I270 HydrophobicContact CE-CB 4.45Å; M258-I270 HydrophobicContact CE-CD1 3.76Å; M258-I270 HydrophobicContact CE-CG1 3.62Å; M258-I270 HydrophobicContact SD-CD1 4.47Å; M258-I270 HydrophobicContact SD-CG1 4.19Å; H268-I270 VanDerWaalsContact C-N 3.33Å; H268-I270 PolarHBondContact O-N 3.47Å; I270-L273 PolarHBondContact O-N 3.49Å; I270-L274 HydrophobicContact CG2-CD1 4.07Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CB 3.33Å; I270-L274 VanDerWaalsContact O-CG 3.3Å; I270-L274 WeakPolarHBondContact O-CG 3.24Å; I270-L274 PolarHBondContact O-N 2.85Å |
| 271 | M | 92.4 | Very high | 91.3 | Very high | 104 Ų | 104 | 69.3 Ų | 69.3 | 51% | 0.512 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 177.7 | -65 | -57.7 | -66.9 | 0 | 0 | 110.1 | H268 L273 L274 D275 | H268-M271 HydrophobicContact CB-CB 4.37Å; H268-M271 HydrophobicContact CB-CG 4.16Å; H268-M271 PolarHBondContact O-N 2.92Å; H268-M271 VanDerWaalsContact O-N 3.07Å; M271-L273 VanDerWaalsContact C-N 3.32Å; M271-L273 PolarHBondContact O-N 2.91Å; M271-L274 PolarHBondContact O-N 3.25Å; M271-D275 WeakPolarHBondContact O-CB 3.43Å; M271-D275 VanDerWaalsContact O-CG 3.23Å; M271-D275 PolarHBondContact O-N 3.21Å |
| 272 | W | 93.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 77.6 Ų | 77.6 | 13% | 0.125 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 172.9 | 170 | 82 | 0 | 0 | 0 | 112.2 | P208 V209 I265 H268 P269 D275 F276 V346 | P208-W272 HydrophobicContact CB-CD2 4.43Å; P208-W272 HydrophobicContact CB-CZ2 3.73Å; V209-W272 HydrophobicContact CG2-CH2 4.28Å; V209-W272 HydrophobicContact CG2-CZ2 3.91Å; I265-W272 HydrophobicContact CD1-CD2 4.17Å; I265-W272 HydrophobicContact CD1-CE3 4.04Å; I265-W272 HydrophobicContact CD1-CG 4.49Å; I265-W272 HydrophobicContact CG2-CB 3.94Å; I265-W272 HydrophobicContact CG2-CD2 4.39Å; I265-W272 HydrophobicContact CG2-CG 3.77Å; H268-W272 PolarHBondContact O-N 3.42Å; P269-W272 PolarHBondContact O-N 3.37Å; W272-D275 PolarHBondContact O-N 3.49Å; W272-F276 HydrophobicContact CZ2-CD2 4.08Å; W272-F276 HydrophobicContact CZ2-CG 4.33Å; W272-F276 WeakPolarHBondContact O-CB 3.38Å; W272-F276 PolarHBondContact O-N 2.92Å; W272-V346 HydrophobicContact CH2-CG2 4.16Å |
| 273 | L | 92.6 | Very high | 91.8 | Very high | 67 Ų | 67 | 76.1 Ų | 76.1 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | -179.2 | -177.3 | 64.5 | 0 | 0 | 0 | 111.7 | P269 I270 M271 F276 V277 V346 | P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 PolarHBondContact O-N 3.5Å; I270-L273 PolarHBondContact O-N 3.49Å; M271-L273 VanDerWaalsContact C-N 3.32Å; M271-L273 PolarHBondContact O-N 2.91Å; L273-F276 PolarHBondContact O-N 3.39Å; L273-V277 HydrophobicContact CD1-CG2 4.22Å; L273-V277 HydrophobicContact CG-CG2 4.48Å; L273-V277 WeakPolarHBondContact O-CB 3.33Å; L273-V277 VanDerWaalsContact O-CG2 3.29Å; L273-V277 WeakPolarHBondContact O-CG2 3.47Å; L273-V277 PolarHBondContact O-N 3.29Å; L273-V346 HydrophobicContact CD1-CG1 3.85Å |
| 274 | L | 93.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 74.7 Ų | 74.7 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -53.3 | 175.5 | -72.6 | 172.6 | 0 | 0 | 0 | 110.5 | I270 M271 F276 V277 T278 | I270-L274 HydrophobicContact CG2-CD1 4.07Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CB 3.33Å; I270-L274 VanDerWaalsContact O-CG 3.3Å; I270-L274 WeakPolarHBondContact O-CG 3.24Å; I270-L274 PolarHBondContact O-N 2.85Å; M271-L274 PolarHBondContact O-N 3.25Å; L274-F276 VanDerWaalsContact C-N 3.25Å; L274-F276 PolarHBondContact O-N 3.04Å; L274-V277 PolarHBondContact O-N 3.4Å; L274-V277 VanDerWaalsContact O-N 3.13Å; L274-T278 PolarHBondContact O-N 2.93Å; L274-T278 PolarHBondContact O-OG1 3.38Å |
| 275 | D | 93.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.1 | -41 | 177.3 | -67.1 | -19 | 0 | 0 | 0 | 111.5 | M271 W272 L279 | M271-D275 WeakPolarHBondContact O-CB 3.43Å; M271-D275 VanDerWaalsContact O-CG 3.23Å; M271-D275 PolarHBondContact O-N 3.21Å; W272-D275 PolarHBondContact O-N 3.49Å; D275-L279 PolarHBondContact O-N 3.24Å; D275-L279 VanDerWaalsContact O-N 3.11Å |
| 276 | F | 93.5 | Very high | 93 | Very high | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.8 | 177.7 | -91.3 | 0 | 0 | 0 | 111.7 | V209 W272 L273 L274 L279 R283 Q342 L343 V346 | V209-F276 HydrophobicContact CG2-CE2 3.94Å; V209-F276 HydrophobicContact CG2-CZ 4.35Å; W272-F276 HydrophobicContact CZ2-CD2 4.08Å; W272-F276 HydrophobicContact CZ2-CG 4.33Å; W272-F276 WeakPolarHBondContact O-CB 3.38Å; W272-F276 PolarHBondContact O-N 2.92Å; L273-F276 PolarHBondContact O-N 3.39Å; L274-F276 VanDerWaalsContact C-N 3.25Å; L274-F276 PolarHBondContact O-N 3.04Å; F276-L279 WeakPolarHBondContact O-CB 3.15Å; F276-R283 VanDerWaalsContact CZ-NH1 3.33Å; F276-R283 VanDerWaalsContact O-CD 3.25Å; F276-R283 WeakPolarHBondContact O-CD 3.38Å; F276-R283 PolarHBondContact O-NH1 2.96Å; F276-Q342 HydrophobicContact CE2-CB 4.41Å; F276-Q342 HydrophobicContact CZ-CB 4.09Å; F276-L343 HydrophobicContact CE1-CB 4.48Å; F276-L343 HydrophobicContact CE1-CD1 3.95Å; F276-V346 HydrophobicContact CE1-CB 4.08Å; F276-V346 HydrophobicContact CE1-CG1 4.44Å; F276-V346 HydrophobicContact CE1-CG2 3.86Å; F276-V346 HydrophobicContact CZ-CB 4.49Å; F276-V346 HydrophobicContact CZ-CG2 3.85Å |
| 277 | V | 94.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 77.1 Ų | 77.1 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.1 | -40.2 | -179.1 | 162.7 | 0 | 0 | 0 | 0 | 111.6 | L273 L274 L279 R283 L284 L287 | L273-V277 HydrophobicContact CD1-CG2 4.22Å; L273-V277 HydrophobicContact CG-CG2 4.48Å; L273-V277 WeakPolarHBondContact O-CB 3.33Å; L273-V277 VanDerWaalsContact O-CG2 3.29Å; L273-V277 WeakPolarHBondContact O-CG2 3.47Å; L273-V277 PolarHBondContact O-N 3.29Å; L274-V277 PolarHBondContact O-N 3.4Å; L274-V277 VanDerWaalsContact O-N 3.13Å; V277-L279 VanDerWaalsContact C-N 3.27Å; V277-L279 PolarHBondContact O-N 3.23Å; V277-R283 WeakPolarHBondContact O-CB 3.37Å; V277-L284 HydrophobicContact CG1-CD2 4.03Å; V277-L287 HydrophobicContact CB-CD1 4.3Å; V277-L287 HydrophobicContact CG1-CD1 3.26Å; V277-L287 HydrophobicContact CG2-CD1 4.22Å |
| 278 | T | 93.5 | Very high | 94 | Very high | 85 Ų | 85 | 71.1 Ų | 71.1 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.4 | -178.6 | 61 | 0 | 0 | 0 | 0 | 113.6 | L274 N280 L284 | L274-T278 PolarHBondContact O-N 2.93Å; L274-T278 PolarHBondContact O-OG1 3.38Å; T278-N280 VanDerWaalsContact C-N 3.29Å; T278-N280 PolarHBondContact O-N 3Å; T278-L284 HydrophobicContact CG2-CD2 4.41Å |
| 279 | L | 91.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 70.7 Ų | 70.7 | 57% | 0.571 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -40 | -176 | -172.9 | 71.5 | 0 | 0 | 0 | 113 | D275 F276 V277 | D275-L279 PolarHBondContact O-N 3.24Å; D275-L279 VanDerWaalsContact O-N 3.11Å; F276-L279 WeakPolarHBondContact O-CB 3.15Å; V277-L279 VanDerWaalsContact C-N 3.27Å; V277-L279 PolarHBondContact O-N 3.23Å |
| 280 | N | 92.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | trans | -143 | 144 | -175.4 | -70 | -44 | 0 | 0 | 0 | 111.1 | T278 R282 R283 L284 | T278-N280 VanDerWaalsContact C-N 3.29Å; T278-N280 PolarHBondContact O-N 3Å; N280-R282 PolarHBondContact O-N 2.84Å; N280-R282 VanDerWaalsContact O-N 3.13Å; N280-R283 HydrophobicContact CB-CG 4.4Å; N280-R283 WeakPolarHBondContact O-CB 3.22Å; N280-R283 PolarHBondContact O-N 3.29Å; N280-L284 PolarHBondContact O-N 3.15Å | ||
| 281 | D | 93.6 | Very high | 94.9 | Very high | 130 Ų | 130 | 72.1 Ų | 72.1 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.3 | -32.8 | 175.2 | -63.7 | -29.3 | 0 | 0 | 0 | 112.7 | R283 L284 C285 | D281-R283 VanDerWaalsContact C-N 3.29Å; D281-R283 PolarHBondContact O-N 3.1Å; D281-L284 PolarHBondContact O-N 2.73Å; D281-C285 PolarHBondContact O-N 2.79Å; D281-C285 PolarHBondContact O-SG 2.98Å; D281-C285 VanDerWaalsContact O-SG 3.37Å |
| 282 | R | 94.4 | Very high | 95.1 | Very high | 186 Ų | 186 | 73 Ų | 73 | 70% | 0.702 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 175.2 | -65.9 | -176.7 | -175.4 | 175.6 | 1.3 | 112.2 | N280 C285 L286 | N280-R282 PolarHBondContact O-N 2.84Å; N280-R282 VanDerWaalsContact O-N 3.13Å; R282-C285 PolarHBondContact O-N 3.35Å; R282-L286 WeakPolarHBondContact O-CB 3.46Å; R282-L286 VanDerWaalsContact O-CG 3.3Å; R282-L286 WeakPolarHBondContact O-CG 3.27Å; R282-L286 PolarHBondContact O-N 3.47Å |
| 283 | R | 96.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 178.2 | -67.7 | -171.9 | 169.8 | -169.4 | -11.6 | 110.8 | F276 V277 N280 D281 L286 L287 D340 L343 | F276-R283 VanDerWaalsContact CZ-NH1 3.33Å; F276-R283 VanDerWaalsContact O-CD 3.25Å; F276-R283 WeakPolarHBondContact O-CD 3.38Å; F276-R283 PolarHBondContact O-NH1 2.96Å; V277-R283 WeakPolarHBondContact O-CB 3.37Å; N280-R283 HydrophobicContact CB-CG 4.4Å; N280-R283 WeakPolarHBondContact O-CB 3.22Å; N280-R283 PolarHBondContact O-N 3.29Å; D281-R283 VanDerWaalsContact C-N 3.29Å; D281-R283 PolarHBondContact O-N 3.1Å; R283-L286 PolarHBondContact O-N 2.89Å; R283-L287 VanDerWaalsContact O-CG 3.3Å; R283-L287 WeakPolarHBondContact O-CG 3.34Å; R283-L287 PolarHBondContact O-N 2.55Å; R283-D340 WeakPolarHBondContact CG-OD2 3.39Å; R283-D340 IonicContact CZ-OD2 3.01Å; R283-D340 VanDerWaalsContact CZ-OD2 3.28Å; R283-D340 IonicContact NE-OD2 3.35Å; R283-D340 PolarHBondContact NE-OD2 3.48Å; R283-D340 IonicContact NH2-OD1 2.76Å; R283-D340 PolarHBondContact NH2-OD1 3.29Å; R283-D340 IonicContact NH2-OD2 2.67Å; R283-D340 PolarHBondContact NH2-OD2 2.92Å; R283-L343 HydrophobicContact CB-CD2 3.84Å; R283-L343 HydrophobicContact CG-CD2 3.96Å |
| 284 | L | 95.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 71.7 Ų | 71.7 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177 | -63.6 | 177 | 0 | 0 | 0 | 112 | V277 T278 N280 D281 L286 L287 G288 | V277-L284 HydrophobicContact CG1-CD2 4.03Å; T278-L284 HydrophobicContact CG2-CD2 4.41Å; N280-L284 PolarHBondContact O-N 3.15Å; D281-L284 PolarHBondContact O-N 2.73Å; L284-L286 PolarHBondContact O-N 3.04Å; L284-L287 PolarHBondContact O-N 3Å; L284-G288 PolarHBondContact O-N 3.45Å |
| 285 | C | 96.9 | Very high | 95.7 | Very high | 92 Ų | 92 | 71.8 Ų | 71.8 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 174.8 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | D281 R282 G288 Y289 | D281-C285 PolarHBondContact O-N 2.79Å; D281-C285 PolarHBondContact O-SG 2.98Å; D281-C285 VanDerWaalsContact O-SG 3.37Å; R282-C285 PolarHBondContact O-N 3.35Å; C285-G288 PolarHBondContact O-N 3.39Å; C285-Y289 WeakPolarHBondContact O-CB 3.34Å; C285-Y289 PolarHBondContact O-N 3.18Å |
| 286 | L | 97 | Very high | 95.8 | Very high | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 175.5 | -76.7 | 170.6 | 0 | 0 | 0 | 111.8 | R282 R283 L284 Y289 W290 P335 Y339 D340 L343 | R282-L286 WeakPolarHBondContact O-CB 3.46Å; R282-L286 VanDerWaalsContact O-CG 3.3Å; R282-L286 WeakPolarHBondContact O-CG 3.27Å; R282-L286 PolarHBondContact O-N 3.47Å; R283-L286 PolarHBondContact O-N 2.89Å; L284-L286 PolarHBondContact O-N 3.04Å; L286-Y289 PolarHBondContact O-N 3.46Å; L286-W290 HydrophobicContact CB-CZ2 4.38Å; L286-W290 PolarHBondContact O-N 2.86Å; L286-P335 HydrophobicContact CD2-CB 4.07Å; L286-Y339 HydrophobicContact CD2-CD2 4.14Å; L286-D340 HydrophobicContact CD1-CB 4.09Å; L286-L343 HydrophobicContact CB-CD2 4.1Å; L286-L343 HydrophobicContact CD1-CD2 4.1Å |
| 287 | L | 96.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.8 | -72 | 168.8 | 0 | 0 | 0 | 111.7 | V277 R283 L284 Y289 W290 V291 L343 | V277-L287 HydrophobicContact CB-CD1 4.3Å; V277-L287 HydrophobicContact CG1-CD1 3.26Å; V277-L287 HydrophobicContact CG2-CD1 4.22Å; R283-L287 VanDerWaalsContact O-CG 3.3Å; R283-L287 WeakPolarHBondContact O-CG 3.34Å; R283-L287 PolarHBondContact O-N 2.55Å; L284-L287 PolarHBondContact O-N 3Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 2.9Å; L287-W290 HydrophobicContact CD2-CE3 3.88Å; L287-W290 HydrophobicContact CD2-CZ3 4.06Å; L287-W290 PolarHBondContact O-N 2.9Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 2.89Å; L287-L343 HydrophobicContact CD2-CD1 4.45Å; L287-L343 HydrophobicContact CG-CD2 4.35Å |
| 288 | G | 97.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L284 C285 V291 F292 | L284-G288 PolarHBondContact O-N 3.45Å; C285-G288 PolarHBondContact O-N 3.39Å; G288-V291 PolarHBondContact O-N 2.97Å; G288-F292 PolarHBondContact O-N 3.18Å |
| 289 | Y | 97.9 | Very high | 95.9 | Very high | 88 Ų | 88 | 71.6 Ų | 71.6 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.6 | 170.3 | -106.6 | 0 | 0 | 0 | 112.7 | C285 L286 L287 F292 L293 A331 P335 | C285-Y289 WeakPolarHBondContact O-CB 3.34Å; C285-Y289 PolarHBondContact O-N 3.18Å; L286-Y289 PolarHBondContact O-N 3.46Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 2.9Å; Y289-F292 WeakPolarHBondContact O-CB 3.44Å; Y289-F292 PolarHBondContact O-N 3.3Å; Y289-L293 HydrophobicContact CD1-CD1 4.26Å; Y289-L293 HydrophobicContact CE1-CD1 3.53Å; Y289-L293 HydrophobicContact CE1-CG 4.23Å; Y289-L293 HydrophobicContact CE2-CD1 4.24Å; Y289-L293 HydrophobicContact CE2-CD2 4.31Å; Y289-L293 HydrophobicContact CE2-CG 4.15Å; Y289-L293 PolarHBondContact O-N 3.15Å; Y289-A331 VanDerWaalsContact CE1-O 3.23Å; Y289-A331 WeakPolarHBondContact CE1-O 3.48Å; Y289-A331 PolarHBondContact OH-O 3.42Å; Y289-P335 HydrophobicContact CD1-CG 4.41Å; Y289-P335 HydrophobicContact CE1-CG 3.75Å |
| 290 | W | 97.9 | Very high | 96 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 176.5 | -64.5 | -19.6 | 0 | 0 | 0 | 112.8 | L286 L287 F292 L293 A294 T332 L343 L344 A347 | L286-W290 HydrophobicContact CB-CZ2 4.38Å; L286-W290 PolarHBondContact O-N 2.86Å; L287-W290 HydrophobicContact CD2-CE3 3.88Å; L287-W290 HydrophobicContact CD2-CZ3 4.06Å; L287-W290 PolarHBondContact O-N 2.9Å; W290-F292 VanDerWaalsContact C-N 3.33Å; W290-L293 PolarHBondContact O-N 3.33Å; W290-A294 WeakPolarHBondContact O-CB 3.29Å; W290-A294 PolarHBondContact O-N 3.36Å; W290-T332 HydrophobicContact CD2-CG2 4.29Å; W290-T332 HydrophobicContact CG-CG2 4.05Å; W290-T332 PolarHBondContact NE1-O 3.28Å; W290-L343 HydrophobicContact CH2-CD2 3.93Å; W290-L343 HydrophobicContact CH2-CG 3.91Å; W290-L343 HydrophobicContact CZ3-CD2 3.97Å; W290-L343 HydrophobicContact CZ3-CG 3.89Å; W290-L344 HydrophobicContact CH2-CB 4.27Å; W290-L344 HydrophobicContact CH2-CD1 4.15Å; W290-L344 HydrophobicContact CZ2-CD1 4.08Å; W290-A347 HydrophobicContact CE3-CB 4.25Å; W290-A347 HydrophobicContact CH2-CB 4.4Å; W290-A347 HydrophobicContact CZ3-CB 3.62Å |
| 291 | V | 97.4 | Very high | 96 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 171.6 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L287 G288 L293 A294 I295 | L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 2.89Å; G288-V291 PolarHBondContact O-N 2.97Å; V291-L293 PolarHBondContact O-N 3.17Å; V291-A294 PolarHBondContact O-N 2.59Å; V291-I295 HydrophobicContact CG1-CD1 4.09Å; V291-I295 WeakPolarHBondContact O-CG1 3.25Å; V291-I295 PolarHBondContact O-N 2.97Å |
| 292 | F | 97.8 | Very high | 95.9 | Very high | 124 Ų | 124 | 63.1 Ų | 63.1 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.7 | 168.4 | -101.4 | 0 | 0 | 0 | 112 | G288 Y289 W290 A294 I295 V296 | G288-F292 PolarHBondContact O-N 3.18Å; Y289-F292 WeakPolarHBondContact O-CB 3.44Å; Y289-F292 PolarHBondContact O-N 3.3Å; W290-F292 VanDerWaalsContact C-N 3.33Å; F292-A294 VanDerWaalsContact C-N 3.33Å; F292-A294 PolarHBondContact O-N 3.07Å; F292-I295 WeakPolarHBondContact O-CB 3.48Å; F292-I295 PolarHBondContact O-N 3.45Å; F292-V296 HydrophobicContact CE1-CG2 4.04Å; F292-V296 HydrophobicContact CE2-CG2 4.04Å; F292-V296 HydrophobicContact CZ-CG2 3.79Å; F292-V296 WeakPolarHBondContact O-CG2 3.35Å; F292-V296 PolarHBondContact O-N 3.01Å |
| 293 | L | 97.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 176.7 | -70.5 | -176.6 | 0 | 0 | 0 | 113.1 | Y289 W290 V291 I295 V296 A297 I328 A331 T332 | Y289-L293 HydrophobicContact CD1-CD1 4.26Å; Y289-L293 HydrophobicContact CE1-CD1 3.53Å; Y289-L293 HydrophobicContact CE1-CG 4.23Å; Y289-L293 HydrophobicContact CE2-CD1 4.24Å; Y289-L293 HydrophobicContact CE2-CD2 4.31Å; Y289-L293 HydrophobicContact CE2-CG 4.15Å; Y289-L293 PolarHBondContact O-N 3.15Å; W290-L293 PolarHBondContact O-N 3.33Å; V291-L293 PolarHBondContact O-N 3.17Å; L293-I295 VanDerWaalsContact C-N 3.34Å; L293-V296 PolarHBondContact O-N 2.9Å; L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.43Å; L293-I328 HydrophobicContact CB-CG2 4.26Å; L293-A331 HydrophobicContact CD1-CB 4Å; L293-T332 VanDerWaalsContact CD1-OG1 3.29Å; L293-T332 WeakPolarHBondContact CD1-OG1 3.35Å |
| 294 | A | 96.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W290 V291 F292 A297 T298 | W290-A294 WeakPolarHBondContact O-CB 3.29Å; W290-A294 PolarHBondContact O-N 3.36Å; V291-A294 PolarHBondContact O-N 2.59Å; F292-A294 VanDerWaalsContact C-N 3.33Å; F292-A294 PolarHBondContact O-N 3.07Å; A294-A297 PolarHBondContact O-N 2.98Å; A294-T298 WeakPolarHBondContact O-CB 3.49Å; A294-T298 PolarHBondContact O-N 3.36Å; A294-T298 PolarHBondContact O-OG1 2.95Å |
| 295 | I | 97.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 172.3 | -67.2 | 164.9 | 0 | 0 | 0 | 109.8 | V291 F292 L293 A297 T298 C299 | V291-I295 HydrophobicContact CG1-CD1 4.09Å; V291-I295 WeakPolarHBondContact O-CG1 3.25Å; V291-I295 PolarHBondContact O-N 2.97Å; F292-I295 WeakPolarHBondContact O-CB 3.48Å; F292-I295 PolarHBondContact O-N 3.45Å; L293-I295 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 3.46Å; I295-T298 WeakPolarHBondContact O-CB 3.46Å; I295-T298 PolarHBondContact O-N 2.82Å; I295-T298 VanDerWaalsContact O-N 3.15Å; I295-C299 PolarHBondContact O-N 3.4Å; I295-C299 PolarHBondContact O-SG 3.39Å; I295-C299 VanDerWaalsContact O-SG 3.32Å |
| 296 | V | 96.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F292 L293 T298 C299 V300 I328 | F292-V296 HydrophobicContact CE1-CG2 4.04Å; F292-V296 HydrophobicContact CE2-CG2 4.04Å; F292-V296 HydrophobicContact CZ-CG2 3.79Å; F292-V296 WeakPolarHBondContact O-CG2 3.35Å; F292-V296 PolarHBondContact O-N 3.01Å; L293-V296 PolarHBondContact O-N 2.9Å; V296-T298 VanDerWaalsContact C-N 3.3Å; V296-T298 PolarHBondContact O-N 3.2Å; V296-C299 WeakPolarHBondContact O-CB 3.31Å; V296-C299 PolarHBondContact O-N 2.68Å; V296-C299 VanDerWaalsContact O-N 3.17Å; V296-V300 WeakPolarHBondContact O-CG2 3.4Å; V296-V300 PolarHBondContact O-N 3.17Å; V296-I328 HydrophobicContact CG1-CD1 4.46Å |
| 297 | A | 94.6 | Very high | 94 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L293 A294 I295 V300 V301 F325 I328 | L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.43Å; A294-A297 PolarHBondContact O-N 2.98Å; I295-A297 PolarHBondContact O-N 3.46Å; A297-V300 PolarHBondContact O-N 3.08Å; A297-V301 WeakPolarHBondContact O-CG2 3.46Å; A297-V301 PolarHBondContact O-N 3.16Å; A297-F325 HydrophobicContact CB-CE1 4.48Å; A297-I328 HydrophobicContact CB-CD1 3.93Å; A297-I328 HydrophobicContact CB-CG2 4.47Å |
| 298 | T | 94.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.4 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | A294 I295 V296 V300 V301 L302 | A294-T298 WeakPolarHBondContact O-CB 3.49Å; A294-T298 PolarHBondContact O-N 3.36Å; A294-T298 PolarHBondContact O-OG1 2.95Å; I295-T298 WeakPolarHBondContact O-CB 3.46Å; I295-T298 PolarHBondContact O-N 2.82Å; I295-T298 VanDerWaalsContact O-N 3.15Å; V296-T298 VanDerWaalsContact C-N 3.3Å; V296-T298 PolarHBondContact O-N 3.2Å; T298-V300 VanDerWaalsContact C-N 3.32Å; T298-V300 PolarHBondContact O-N 3.4Å; T298-V301 PolarHBondContact O-N 3.29Å; T298-L302 HydrophobicContact CG2-CD1 4.17Å; T298-L302 HydrophobicContact CG2-CG 4.47Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 3.48Å |
| 299 | C | 94.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 47% | 0.473 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 175 | -70 | 0 | 0 | 0 | 0 | 112 | I295 V296 L302 H303 | I295-C299 PolarHBondContact O-N 3.4Å; I295-C299 PolarHBondContact O-SG 3.39Å; I295-C299 VanDerWaalsContact O-SG 3.32Å; V296-C299 WeakPolarHBondContact O-CB 3.31Å; V296-C299 PolarHBondContact O-N 2.68Å; V296-C299 VanDerWaalsContact O-N 3.17Å; C299-L302 PolarHBondContact O-N 3.29Å; C299-H303 WeakPolarHBondContact O-CB 3.22Å; C299-H303 PolarHBondContact O-N 3.17Å |
| 300 | V | 92.7 | Very high | 90.3 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | V296 A297 T298 L302 H303 Q304 Y324 F325 | V296-V300 WeakPolarHBondContact O-CG2 3.4Å; V296-V300 PolarHBondContact O-N 3.17Å; A297-V300 PolarHBondContact O-N 3.08Å; T298-V300 VanDerWaalsContact C-N 3.32Å; T298-V300 PolarHBondContact O-N 3.4Å; V300-L302 PolarHBondContact O-N 3.47Å; V300-H303 PolarHBondContact O-N 3.02Å; V300-Q304 HydrophobicContact CG1-CG 4.29Å; V300-Q304 WeakPolarHBondContact O-CB 3.45Å; V300-Q304 WeakPolarHBondContact O-CG 3.23Å; V300-Q304 PolarHBondContact O-N 2.78Å; V300-Y324 HydrophobicContact CG1-CD2 4.12Å; V300-F325 HydrophobicContact CG1-CZ 4.35Å |
| 301 | V | 92.3 | Very high | 88.5 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 15% | 0.145 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | A297 T298 N305 F325 L376 F380 | A297-V301 WeakPolarHBondContact O-CG2 3.46Å; A297-V301 PolarHBondContact O-N 3.16Å; T298-V301 PolarHBondContact O-N 3.29Å; V301-N305 PolarHBondContact O-N 3.21Å; V301-N305 VanDerWaalsContact O-N 3.13Å; V301-N305 PolarHBondContact O-ND2 2.93Å; V301-F325 HydrophobicContact CG2-CE1 3.9Å; V301-F325 HydrophobicContact CG2-CZ 3.67Å; V301-L376 HydrophobicContact CG1-CB 4.3Å; V301-L376 HydrophobicContact CG1-CD2 4.5Å; V301-F380 HydrophobicContact CB-CE2 4.47Å; V301-F380 HydrophobicContact CG1-CE2 4.06Å; V301-F380 HydrophobicContact CG2-CE2 4.24Å; V301-F380 HydrophobicContact CG2-CZ 4.19Å |
| 302 | L | 92.1 | Very high | 86.1 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.6 | -68 | 174.6 | 0 | 0 | 0 | 111.7 | T298 C299 V300 N305 Y306 L376 | T298-L302 HydrophobicContact CG2-CD1 4.17Å; T298-L302 HydrophobicContact CG2-CG 4.47Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 3.48Å; C299-L302 PolarHBondContact O-N 3.29Å; V300-L302 PolarHBondContact O-N 3.47Å; L302-N305 PolarHBondContact O-N 3.48Å; L302-Y306 WeakPolarHBondContact O-CB 3.42Å; L302-Y306 PolarHBondContact O-N 3.42Å; L302-L376 HydrophobicContact CD2-CD2 4.24Å |
| 303 | H | 90.9 | Very high | 84 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 179 | -175.4 | 72.3 | 0 | 0 | 0 | 112.1 | C299 V300 N305 Y306 Q307 | C299-H303 WeakPolarHBondContact O-CB 3.22Å; C299-H303 PolarHBondContact O-N 3.17Å; V300-H303 PolarHBondContact O-N 3.02Å; H303-N305 VanDerWaalsContact C-N 3.33Å; H303-N305 PolarHBondContact O-N 2.9Å; H303-Y306 PolarHBondContact O-N 3.38Å; H303-Q307 PolarHBondContact NE2-NE2 3.2Å; H303-Q307 WeakPolarHBondContact O-CG 3.42Å; H303-Q307 PolarHBondContact O-N 3.41Å |
| 304 | Q | 89.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 87 Ų | 87 | 14% | 0.136 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.9 | -70.3 | -67 | -33.9 | 0 | 0 | 111.8 | V300 R308 V321 L379 F380 | V300-Q304 HydrophobicContact CG1-CG 4.29Å; V300-Q304 WeakPolarHBondContact O-CB 3.45Å; V300-Q304 WeakPolarHBondContact O-CG 3.23Å; V300-Q304 PolarHBondContact O-N 2.78Å; Q304-R308 PolarHBondContact O-N 3.2Å; Q304-R308 VanDerWaalsContact O-N 3.12Å; Q304-V321 HydrophobicContact CG-CG1 3.86Å; Q304-L379 HydrophobicContact CB-CD1 4.45Å; Q304-L379 HydrophobicContact CB-CD2 4.21Å; Q304-F380 HydrophobicContact CB-CZ 4.08Å; Q304-F380 HydrophobicContact CG-CZ 4.43Å |
| 305 | N | 88.6 | Confident | 80.1 | Confident | 16 Ų | 16 | 90.2 Ų | 90.2 | 9% | 0.086 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 176.2 | -83.7 | -78.8 | 0 | 0 | 0 | 112.7 | V301 L302 H303 R308 Q309 L376 | V301-N305 PolarHBondContact O-N 3.21Å; V301-N305 VanDerWaalsContact O-N 3.13Å; V301-N305 PolarHBondContact O-ND2 2.93Å; L302-N305 PolarHBondContact O-N 3.48Å; H303-N305 VanDerWaalsContact C-N 3.33Å; H303-N305 PolarHBondContact O-N 2.9Å; N305-R308 PolarHBondContact O-N 3.35Å; N305-Q309 PolarHBondContact O-N 2.94Å; N305-L376 HydrophobicContact CB-CD2 3.99Å; N305-L376 PolarHBondContact ND2-O 2.97Å; N305-L376 VanDerWaalsContact ND2-O 3.09Å |
| 306 | Y | 87.4 | Confident | 78.7 | Confident | 159 Ų | 159 | 92.5 Ų | 92.5 | 62% | 0.624 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 173.7 | 178.8 | -99.1 | 0 | 0 | 0 | 111.7 | L302 H303 R308 Q309 S310 | L302-Y306 WeakPolarHBondContact O-CB 3.42Å; L302-Y306 PolarHBondContact O-N 3.42Å; H303-Y306 PolarHBondContact O-N 3.38Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.44Å; Y306-Q309 PolarHBondContact O-N 3.41Å; Y306-Q309 VanDerWaalsContact O-N 3.1Å; Y306-S310 PolarHBondContact O-N 3.09Å |
| 307 | Q | 83.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 176.3 | -73.4 | -171.3 | -11.8 | 0 | 0 | 112.3 | H303 Q309 S310 G311 | H303-Q307 PolarHBondContact NE2-NE2 3.2Å; H303-Q307 WeakPolarHBondContact O-CG 3.42Å; H303-Q307 PolarHBondContact O-N 3.41Å; Q307-Q309 VanDerWaalsContact C-N 3.32Å; Q307-Q309 PolarHBondContact O-N 3.16Å; Q307-S310 PolarHBondContact O-N 2.91Å; Q307-G311 PolarHBondContact O-N 3.13Å |
| 308 | R | 78.1 | Confident | 76.1 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 33% | 0.328 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | 175.7 | 175.3 | 177.1 | 169.4 | -168 | 2.9 | 113 | Q304 N305 Y306 S310 L379 | Q304-R308 PolarHBondContact O-N 3.2Å; Q304-R308 VanDerWaalsContact O-N 3.12Å; N305-R308 PolarHBondContact O-N 3.35Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.44Å; R308-S310 VanDerWaalsContact C-N 3.29Å; R308-L379 HydrophobicContact CB-CD1 3.82Å; R308-L379 HydrophobicContact CG-CD1 4.32Å |
| 309 | Q | 72.1 | Confident | 75 | Confident | 165 Ų | 165 | 92.2 Ų | 92.2 | 77% | 0.771 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70 | -28.9 | 178.9 | -70.5 | 179.8 | 3.8 | 0 | 0 | 112.4 | N305 Y306 Q307 | N305-Q309 PolarHBondContact O-N 2.94Å; Y306-Q309 PolarHBondContact O-N 3.41Å; Y306-Q309 VanDerWaalsContact O-N 3.1Å; Q307-Q309 VanDerWaalsContact C-N 3.32Å; Q307-Q309 PolarHBondContact O-N 3.16Å |
| 310 | S | 64.6 | Low | 73.9 | Confident | 102 Ų | 102 | 91.9 Ų | 91.9 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -82.2 | -23.4 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 113.4 | Y306 Q307 R308 | Y306-S310 PolarHBondContact O-N 3.09Å; Q307-S310 PolarHBondContact O-N 2.91Å; R308-S310 VanDerWaalsContact C-N 3.29Å |
| 311 | G | 60.5 | Low | 73.1 | Confident | 41 Ų | 41 | 91 Ų | 91 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -96.8 | 130.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q307 K313 | Q307-G311 PolarHBondContact O-N 3.13Å; G311-K313 PolarHBondContact O-N 3.44Å |
| 312 | S | 48 | Very low | 72.4 | Confident | 131 Ų | 131 | 91.7 Ų | 91.7 | 92% | 0.916 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -66.7 | -2.8 | -178.8 | 179 | 0 | 0 | 0 | 0 | 116.1 | ||
| 313 | K | 53.8 | Low | 72.1 | Confident | 175 Ų | 175 | 88.2 Ų | 88.2 | 76% | 0.761 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -107.7 | 143 | -176.3 | -71.9 | -175 | -179.9 | 178.5 | 0 | 111.6 | G311 H315 | G311-K313 PolarHBondContact O-N 3.44Å; K313-H315 PolarHBondContact O-N 2.92Å |
| 314 | K | 53.4 | Low | 72 | Confident | 209 Ų | 209 | 88.2 Ų | 88.2 | 91% | 0.909 | 45% | 0.446 | S | S | * | . | trans | -63.4 | 80.4 | 174.5 | -152.7 | -179.4 | -170 | -177.4 | 0 | 109.7 | ||||
| 315 | H | 58.6 | Low | 72.1 | Confident | 122 Ų | 122 | 89.2 Ų | 89.2 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 119.8 | -174.9 | -134.1 | 65.3 | 0 | 0 | 0 | 110.2 | K313 | K313-H315 PolarHBondContact O-N 2.92Š|
| 316 | Q | 67 | Low | 72.3 | Confident | 143 Ų | 143 | 89 Ų | 89 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -88 | 148.7 | 161 | -72.7 | 176.6 | -16.7 | 0 | 0 | 108.1 | S318 | Q316-S318 PolarHBondContact O-N 3.27Š|
| 317 | A | 68.6 | Low | 72.6 | Confident | 8 Ų | 8 | 86.2 Ų | 86.2 | 7% | 0.066 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 132 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V321 L379 F380 | A317-V321 HydrophobicContact CB-CB 4.2Å; A317-V321 HydrophobicContact CB-CG1 4.13Å; A317-L379 HydrophobicContact CB-CD2 3.54Å; A317-L379 PolarHBondContact N-O 3.49Å; A317-F380 HydrophobicContact CB-CD1 3.76Å; A317-F380 HydrophobicContact CB-CE1 4.12Å |
| 318 | S | 69.1 | Low | 73.2 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 159.5 | 171.5 | 69.9 | 0 | 0 | 0 | 0 | 110.6 | Q316 V320 V321 R322 | Q316-S318 PolarHBondContact O-N 3.27Å; S318-V320 PolarHBondContact O-N 2.84Å; S318-V321 PolarHBondContact O-N 2.9Å; S318-V321 VanDerWaalsContact O-N 3.08Å; S318-V321 PolarHBondContact OG-N 3.49Å; S318-R322 PolarHBondContact O-N 2.93Å |
| 319 | T | 70.4 | Confident | 74 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -52 | -39.1 | 172.4 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | V321 R322 K323 | T319-V321 PolarHBondContact O-N 3.21Å; T319-R322 WeakPolarHBondContact O-CB 3.28Å; T319-R322 PolarHBondContact O-N 2.84Å; T319-K323 WeakPolarHBondContact O-CG 3.5Å; T319-K323 PolarHBondContact O-N 3.32Å |
| 320 | V | 71.6 | Confident | 75.2 | Confident | 63 Ų | 63 | 73 Ų | 73 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | S318 R322 K323 Y324 | S318-V320 PolarHBondContact O-N 2.84Å; V320-R322 VanDerWaalsContact C-N 3.28Å; V320-R322 PolarHBondContact O-N 2.78Å; V320-K323 WeakPolarHBondContact O-CB 3.45Å; V320-K323 PolarHBondContact O-N 2.9Å; V320-Y324 HydrophobicContact CG1-CE1 4.3Å; V320-Y324 PolarHBondContact O-N 3.05Å |
| 321 | V | 74.6 | Confident | 76.7 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | Q304 A317 S318 T319 K323 Y324 F380 | Q304-V321 HydrophobicContact CG-CG1 3.86Å; A317-V321 HydrophobicContact CB-CB 4.2Å; A317-V321 HydrophobicContact CB-CG1 4.13Å; S318-V321 PolarHBondContact O-N 2.9Å; S318-V321 VanDerWaalsContact O-N 3.08Å; S318-V321 PolarHBondContact OG-N 3.49Å; T319-V321 PolarHBondContact O-N 3.21Å; V321-K323 PolarHBondContact O-N 3.43Å; V321-Y324 HydrophobicContact CB-CD2 4.48Å; V321-Y324 HydrophobicContact CG1-CD2 4.38Å; V321-Y324 HydrophobicContact CG2-CE2 4.24Å; V321-Y324 WeakPolarHBondContact O-CB 3.35Å; V321-Y324 PolarHBondContact O-N 3.41Å; V321-F380 HydrophobicContact CG1-CE1 3.82Å |
| 322 | R | 77.9 | Confident | 78.5 | Confident | 40 Ų | 40 | 69 Ų | 69 | 15% | 0.151 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -28 | 175.3 | -64.6 | -174.5 | -176.9 | 150.3 | 3.7 | 112.5 | S318 T319 V320 Y324 F325 H326 F380 L381 D382 | S318-R322 PolarHBondContact O-N 2.93Å; T319-R322 WeakPolarHBondContact O-CB 3.28Å; T319-R322 PolarHBondContact O-N 2.84Å; V320-R322 VanDerWaalsContact C-N 3.28Å; V320-R322 PolarHBondContact O-N 2.78Å; R322-Y324 VanDerWaalsContact C-N 3.34Å; R322-F325 PolarHBondContact O-N 2.87Å; R322-H326 PolarHBondContact O-ND1 2.8Å; R322-F380 PolarHBondContact NE-O 3.31Å; R322-F380 PolarHBondContact NH2-O 2.95Å; R322-L381 VanDerWaalsContact NH2-C 3.34Å; R322-L381 PolarHBondContact NH2-O 3.03Å; R322-D382 IonicContact CZ-OD1 3.55Å; R322-D382 IonicContact CZ-OD2 3.86Å; R322-D382 IonicContact NH1-OD1 2.86Å; R322-D382 PolarHBondContact NH1-OD1 2.82Å; R322-D382 IonicContact NH1-OD2 2.94Å; R322-D382 PolarHBondContact NH1-OD2 3.42Å; R322-D382 IonicContact NH2-OD1 3.35Å; R322-D382 PolarHBondContact NH2-OD1 2.89Å |
| 323 | K | 85.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.9 | -17.6 | 176.5 | -60.9 | -50.8 | 170.1 | 144 | 0 | 113.8 | T319 V320 V321 F325 H326 L327 D436 T437 S440 V441 | T319-K323 WeakPolarHBondContact O-CG 3.5Å; T319-K323 PolarHBondContact O-N 3.32Å; V320-K323 WeakPolarHBondContact O-CB 3.45Å; V320-K323 PolarHBondContact O-N 2.9Å; V321-K323 PolarHBondContact O-N 3.43Å; K323-F325 VanDerWaalsContact C-N 3.27Å; K323-F325 PolarHBondContact O-N 3.46Å; K323-H326 HydrophobicContact CD-CB 4.49Å; K323-H326 WeakPolarHBondContact O-CB 3.27Å; K323-H326 PolarHBondContact O-N 2.97Å; K323-H326 VanDerWaalsContact O-N 3.1Å; K323-L327 WeakPolarHBondContact O-CG 3.24Å; K323-L327 PolarHBondContact O-N 3.36Å; K323-D436 PolarHBondContact NZ-O 2.91Å; K323-D436 IonicContact NZ-OD1 2.66Å; K323-D436 PolarHBondContact NZ-OD1 3.43Å; K323-D436 IonicContact NZ-OD2 2.59Å; K323-D436 PolarHBondContact NZ-OD2 3.14Å; K323-T437 HydrophobicContact CB-CG2 4.1Å; K323-T437 HydrophobicContact CD-CG2 4.4Å; K323-T437 HydrophobicContact CG-CG2 4.38Å; K323-S440 WeakPolarHBondContact CE-OG 3.48Å; K323-S440 PolarHBondContact NZ-OG 3.22Å; K323-S440 VanDerWaalsContact NZ-OG 3.09Å; K323-V441 HydrophobicContact CG-CG2 4.34Å |
| 324 | Y | 89.1 | Confident | 82.9 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 167.7 | -60.7 | -27.4 | 0 | 0 | 0 | 112 | V300 V320 V321 R322 H326 L327 I328 | V300-Y324 HydrophobicContact CG1-CD2 4.12Å; V320-Y324 HydrophobicContact CG1-CE1 4.3Å; V320-Y324 PolarHBondContact O-N 3.05Å; V321-Y324 HydrophobicContact CB-CD2 4.48Å; V321-Y324 HydrophobicContact CG1-CD2 4.38Å; V321-Y324 HydrophobicContact CG2-CE2 4.24Å; V321-Y324 WeakPolarHBondContact O-CB 3.35Å; V321-Y324 PolarHBondContact O-N 3.41Å; R322-Y324 VanDerWaalsContact C-N 3.34Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 2.94Å; Y324-L327 PolarHBondContact O-N 3.44Å; Y324-I328 VanDerWaalsContact O-CG1 3.28Å; Y324-I328 WeakPolarHBondContact O-CG1 3.29Å; Y324-I328 PolarHBondContact O-N 2.96Å |
| 325 | F | 91.8 | Very high | 85 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -30.2 | 176.2 | -59.3 | -75.3 | 0 | 0 | 0 | 112.7 | A297 V300 V301 R322 K323 V329 F380 L396 | A297-F325 HydrophobicContact CB-CE1 4.48Å; V300-F325 HydrophobicContact CG1-CZ 4.35Å; V301-F325 HydrophobicContact CG2-CE1 3.9Å; V301-F325 HydrophobicContact CG2-CZ 3.67Å; R322-F325 PolarHBondContact O-N 2.87Å; K323-F325 VanDerWaalsContact C-N 3.27Å; K323-F325 PolarHBondContact O-N 3.46Å; F325-V329 WeakPolarHBondContact O-CB 3.48Å; F325-V329 PolarHBondContact O-N 3.07Å; F325-F380 HydrophobicContact CE2-CD1 4.01Å; F325-F380 AromaticContact CE2-CE1 3.72Å; F325-F380 HydrophobicContact CE2-CE1 3.72Å; F325-F380 HydrophobicContact CE2-CZ 4.44Å; F325-F380 HydrophobicContact CZ-CE1 4.03Å; F325-F380 HydrophobicContact CZ-CZ 4.31Å; F325-L396 HydrophobicContact CB-CD2 4.27Å |
| 326 | H | 92.4 | Very high | 86.8 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.06 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.7 | -42.5 | 174.3 | -68.2 | 62.1 | 0 | 0 | 0 | 110.9 | R322 K323 Y324 V329 V330 D436 T437 | R322-H326 PolarHBondContact O-ND1 2.8Å; K323-H326 HydrophobicContact CD-CB 4.49Å; K323-H326 WeakPolarHBondContact O-CB 3.27Å; K323-H326 PolarHBondContact O-N 2.97Å; K323-H326 VanDerWaalsContact O-N 3.1Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 2.94Å; H326-V329 VanDerWaalsContact O-CG1 3.27Å; H326-V329 WeakPolarHBondContact O-CG1 3.29Å; H326-V329 PolarHBondContact O-N 3.3Å; H326-V330 VanDerWaalsContact O-CG2 3.27Å; H326-V330 WeakPolarHBondContact O-CG2 3.39Å; H326-V330 PolarHBondContact O-N 3.04Å; H326-D436 IonicContact CD2-OD2 3.51Å; H326-D436 IonicContact NE2-OD2 3.01Å; H326-T437 WeakPolarHBondContact CB-OG1 3.32Å |
| 327 | L | 93.8 | Very high | 88.1 | Confident | 99 Ų | 99 | 34.6 Ų | 34.6 | 52% | 0.518 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.7 | -65.5 | 176.3 | 0 | 0 | 0 | 112.1 | K323 Y324 V330 A331 T437 | K323-L327 WeakPolarHBondContact O-CG 3.24Å; K323-L327 PolarHBondContact O-N 3.36Å; Y324-L327 PolarHBondContact O-N 3.44Å; L327-V330 PolarHBondContact O-N 2.86Å; L327-A331 WeakPolarHBondContact O-CB 3.18Å; L327-A331 PolarHBondContact O-N 3.43Å; L327-T437 HydrophobicContact CD2-CG2 4.18Å; L327-T437 HydrophobicContact CG-CG2 4.49Å |
| 328 | I | 95.8 | Very high | 89.3 | Confident | 28 Ų | 28 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.6 | -67.9 | 167.2 | 0 | 0 | 0 | 110.5 | L293 V296 A297 Y324 V330 A331 T332 | L293-I328 HydrophobicContact CB-CG2 4.26Å; V296-I328 HydrophobicContact CG1-CD1 4.46Å; A297-I328 HydrophobicContact CB-CD1 3.93Å; A297-I328 HydrophobicContact CB-CG2 4.47Å; Y324-I328 VanDerWaalsContact O-CG1 3.28Å; Y324-I328 WeakPolarHBondContact O-CG1 3.29Å; Y324-I328 PolarHBondContact O-N 2.96Å; I328-V330 PolarHBondContact O-N 3.27Å; I328-A331 CarbonylContact O-C 3.58Å; I328-A331 WeakPolarHBondContact O-CB 3.48Å; I328-A331 PolarHBondContact O-N 3.17Å; I328-T332 PolarHBondContact O-N 3.23Å; I328-T332 PolarHBondContact O-OG1 3.49Å; I328-T332 VanDerWaalsContact O-OG1 3.13Å |
| 329 | V | 95.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.4 | -34.6 | 179.2 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | F325 H326 T332 Y333 L396 M400 | F325-V329 WeakPolarHBondContact O-CB 3.48Å; F325-V329 PolarHBondContact O-N 3.07Å; H326-V329 VanDerWaalsContact O-CG1 3.27Å; H326-V329 WeakPolarHBondContact O-CG1 3.29Å; H326-V329 PolarHBondContact O-N 3.3Å; V329-T332 PolarHBondContact O-N 3.33Å; V329-Y333 HydrophobicContact CG2-CD2 3.5Å; V329-Y333 VanDerWaalsContact CG2-CD2 3.5Å; V329-Y333 HydrophobicContact CG2-CE2 3.45Å; V329-Y333 VanDerWaalsContact CG2-CE2 3.45Å; V329-Y333 WeakPolarHBondContact O-CB 3.48Å; V329-Y333 VanDerWaalsContact O-CD2 3.24Å; V329-Y333 WeakPolarHBondContact O-CD2 3.29Å; V329-Y333 PolarHBondContact O-N 3.46Å; V329-L396 HydrophobicContact CG1-CD1 4.12Å; V329-L396 HydrophobicContact CG1-CD2 4.37Å; V329-L396 HydrophobicContact CG1-CG 4.29Å; V329-M400 HydrophobicContact CG1-CE 4.03Å; V329-M400 HydrophobicContact CG1-CG 3.95Å; V329-M400 HydrophobicContact CG1-SD 4.14Å; V329-M400 HydrophobicContact CG2-CB 4.39Å; V329-M400 HydrophobicContact CG2-CE 4.37Å; V329-M400 HydrophobicContact CG2-CG 3.88Å |
| 330 | V | 96.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 169.5 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | H326 L327 I328 T332 Y333 V334 M400 V429 | H326-V330 VanDerWaalsContact O-CG2 3.27Å; H326-V330 WeakPolarHBondContact O-CG2 3.39Å; H326-V330 PolarHBondContact O-N 3.04Å; L327-V330 PolarHBondContact O-N 2.86Å; I328-V330 PolarHBondContact O-N 3.27Å; V330-T332 PolarHBondContact O-N 3.49Å; V330-Y333 PolarHBondContact O-N 3.12Å; V330-V334 HydrophobicContact CG1-CG2 3.83Å; V330-V334 WeakPolarHBondContact O-CB 3.33Å; V330-V334 WeakPolarHBondContact O-CG2 3.39Å; V330-V334 PolarHBondContact O-N 3.08Å; V330-M400 HydrophobicContact CG2-CE 4.45Å; V330-V429 HydrophobicContact CG1-CG1 4.25Å; V330-V429 HydrophobicContact CG2-CG1 4.36Å |
| 331 | A | 97.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 26% | 0.256 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -26.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y289 L293 L327 I328 P335 | Y289-A331 VanDerWaalsContact CE1-O 3.23Å; Y289-A331 WeakPolarHBondContact CE1-O 3.48Å; Y289-A331 PolarHBondContact OH-O 3.42Å; L293-A331 HydrophobicContact CD1-CB 4Å; L327-A331 WeakPolarHBondContact O-CB 3.18Å; L327-A331 PolarHBondContact O-N 3.43Å; I328-A331 CarbonylContact O-C 3.58Å; I328-A331 WeakPolarHBondContact O-CB 3.48Å; I328-A331 PolarHBondContact O-N 3.17Å; A331-P335 WeakPolarHBondContact O-CD 3.36Å; A331-P335 WeakPolarHBondContact O-CG 3.38Å |
| 332 | T | 97.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.1 | -49.7 | 172.1 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | W290 L293 I328 V329 V330 G336 | W290-T332 HydrophobicContact CD2-CG2 4.29Å; W290-T332 HydrophobicContact CG-CG2 4.05Å; W290-T332 PolarHBondContact NE1-O 3.28Å; L293-T332 VanDerWaalsContact CD1-OG1 3.29Å; L293-T332 WeakPolarHBondContact CD1-OG1 3.35Å; I328-T332 PolarHBondContact O-N 3.23Å; I328-T332 PolarHBondContact O-OG1 3.49Å; I328-T332 VanDerWaalsContact O-OG1 3.13Å; V329-T332 PolarHBondContact O-N 3.33Å; V330-T332 PolarHBondContact O-N 3.49Å; T332-G336 PolarHBondContact O-N 2.85Å |
| 333 | Y | 97.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.9 | -40.3 | -169.7 | -86.3 | -113.4 | 0 | 0 | 0 | 113.1 | V329 V330 G336 L337 L344 S348 L397 M400 S401 I404 | V329-Y333 HydrophobicContact CG2-CD2 3.5Å; V329-Y333 VanDerWaalsContact CG2-CD2 3.5Å; V329-Y333 HydrophobicContact CG2-CE2 3.45Å; V329-Y333 VanDerWaalsContact CG2-CE2 3.45Å; V329-Y333 WeakPolarHBondContact O-CB 3.48Å; V329-Y333 VanDerWaalsContact O-CD2 3.24Å; V329-Y333 WeakPolarHBondContact O-CD2 3.29Å; V329-Y333 PolarHBondContact O-N 3.46Å; V330-Y333 PolarHBondContact O-N 3.12Å; Y333-G336 CarbonylContact O-C 3.42Å; Y333-G336 PolarHBondContact O-N 2.83Å; Y333-G336 VanDerWaalsContact O-N 3.17Å; Y333-L337 WeakPolarHBondContact O-CB 3.49Å; Y333-L337 VanDerWaalsContact O-CG 3.31Å; Y333-L337 WeakPolarHBondContact O-CG 3.47Å; Y333-L337 PolarHBondContact O-N 2.9Å; Y333-L344 HydrophobicContact CD1-CD1 4.2Å; Y333-L344 HydrophobicContact CD1-CD2 3.85Å; Y333-L344 HydrophobicContact CD1-CG 4.36Å; Y333-L344 HydrophobicContact CD2-CD1 4.37Å; Y333-L344 HydrophobicContact CE1-CD1 4.23Å; Y333-L344 HydrophobicContact CE1-CD2 4.36Å; Y333-L344 HydrophobicContact CE1-CG 4.42Å; Y333-L344 HydrophobicContact CE2-CD1 4.41Å; Y333-L344 HydrophobicContact CG-CD1 4.26Å; Y333-L344 HydrophobicContact CG-CD2 4.28Å; Y333-S348 WeakPolarHBondContact OH-CB 3.37Å; Y333-L397 VanDerWaalsContact OH-CD1 3.26Å; Y333-L397 WeakPolarHBondContact OH-CD1 3.29Å; Y333-M400 HydrophobicContact CD1-CB 3.82Å; Y333-M400 HydrophobicContact CD1-CE 4.29Å; Y333-M400 HydrophobicContact CD2-CB 4.31Å; Y333-M400 HydrophobicContact CD2-CE 4.28Å; Y333-M400 HydrophobicContact CE1-CB 3.5Å; Y333-M400 WeakPolarHBondContact CE1-O 3.42Å; Y333-M400 HydrophobicContact CE2-CB 4.03Å; Y333-M400 HydrophobicContact CG-CB 4.22Å; Y333-M400 HydrophobicContact CG-CE 3.88Å; Y333-S401 PolarHBondContact OH-OG 3.14Å; Y333-I404 HydrophobicContact CD1-CD1 3.81Å; Y333-I404 HydrophobicContact CE1-CD1 3.77Å |
| 334 | V | 97.1 | Very high | 95 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -54.7 | -179.1 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | V330 G336 L337 I338 V429 F475 | V330-V334 HydrophobicContact CG1-CG2 3.83Å; V330-V334 WeakPolarHBondContact O-CB 3.33Å; V330-V334 WeakPolarHBondContact O-CG2 3.39Å; V330-V334 PolarHBondContact O-N 3.08Å; V334-G336 VanDerWaalsContact C-N 3.3Å; V334-G336 PolarHBondContact O-N 2.91Å; V334-L337 PolarHBondContact O-N 3.29Å; V334-I338 HydrophobicContact CG1-CD1 3.74Å; V334-I338 VanDerWaalsContact O-CG1 3.29Å; V334-I338 WeakPolarHBondContact O-CG1 3.46Å; V334-I338 PolarHBondContact O-N 2.95Å; V334-I338 VanDerWaalsContact O-N 3.09Å; V334-V429 HydrophobicContact CG2-CG1 3.74Å; V334-F475 HydrophobicContact CG1-CE1 3.95Å; V334-F475 HydrophobicContact CG2-CE1 3.87Å; V334-F475 HydrophobicContact CG2-CZ 4.11Å |
| 335 | P | 96.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -33.8 | 177 | 23.9 | -31.8 | 0 | 0 | 0 | 112.3 | L286 Y289 A331 L337 I338 Y339 | L286-P335 HydrophobicContact CD2-CB 4.07Å; Y289-P335 HydrophobicContact CD1-CG 4.41Å; Y289-P335 HydrophobicContact CE1-CG 3.75Å; A331-P335 WeakPolarHBondContact O-CD 3.36Å; A331-P335 WeakPolarHBondContact O-CG 3.38Å; P335-L337 VanDerWaalsContact C-N 3.35Å; P335-L337 PolarHBondContact O-N 3.3Å; P335-I338 PolarHBondContact O-N 2.86Å; P335-Y339 HydrophobicContact CB-CD2 3.91Å; P335-Y339 HydrophobicContact CB-CE2 4.09Å; P335-Y339 VanDerWaalsContact O-CB 3.31Å; P335-Y339 WeakPolarHBondContact O-CB 3.47Å; P335-Y339 WeakPolarHBondContact O-CD2 3.32Å; P335-Y339 PolarHBondContact O-N 3.46Å |
| 336 | G | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T332 Y333 V334 D340 R341 | T332-G336 PolarHBondContact O-N 2.85Å; Y333-G336 CarbonylContact O-C 3.42Å; Y333-G336 PolarHBondContact O-N 2.83Å; Y333-G336 VanDerWaalsContact O-N 3.17Å; V334-G336 VanDerWaalsContact C-N 3.3Å; V334-G336 PolarHBondContact O-N 2.91Å; G336-D340 CarbonylContact O-C 3.29Å; G336-D340 WeakPolarHBondContact O-CA 3.16Å; G336-D340 PolarHBondContact O-N 2.89Å; G336-R341 PolarHBondContact O-N 3.34Å |
| 337 | L | 95.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 179.4 | -74.7 | 171.7 | 0 | 0 | 0 | 113 | Y333 V334 P335 R341 L344 I404 P425 Y426 V429 | Y333-L337 WeakPolarHBondContact O-CB 3.49Å; Y333-L337 VanDerWaalsContact O-CG 3.31Å; Y333-L337 WeakPolarHBondContact O-CG 3.47Å; Y333-L337 PolarHBondContact O-N 2.9Å; V334-L337 PolarHBondContact O-N 3.29Å; P335-L337 VanDerWaalsContact C-N 3.35Å; P335-L337 PolarHBondContact O-N 3.3Å; L337-R341 HydrophobicContact CD2-CG 4.39Å; L337-R341 VanDerWaalsContact O-CG 3.24Å; L337-R341 WeakPolarHBondContact O-CG 3.3Å; L337-R341 PolarHBondContact O-NE 3.22Å; L337-L344 HydrophobicContact CD2-CD2 3.94Å; L337-L344 HydrophobicContact CG-CD2 3.76Å; L337-I404 HydrophobicContact CD2-CD1 3.77Å; L337-I404 HydrophobicContact CD2-CG1 3.89Å; L337-P425 HydrophobicContact CD2-CB 3.82Å; L337-Y426 HydrophobicContact CB-CD1 4.37Å; L337-Y426 HydrophobicContact CB-CE1 3.66Å; L337-Y426 HydrophobicContact CB-CE2 4.37Å; L337-Y426 HydrophobicContact CD1-CD1 3.47Å; L337-Y426 VanDerWaalsContact CD1-CD1 3.47Å; L337-Y426 HydrophobicContact CD1-CE1 3.63Å; L337-Y426 HydrophobicContact CD1-CG 3.95Å; L337-Y426 HydrophobicContact CG-CE1 4.29Å; L337-V429 HydrophobicContact CD1-CG2 3.71Å |
| 338 | I | 94.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.8 | -46.9 | 179.1 | -64.2 | 169.2 | 0 | 0 | 0 | 110.7 | V334 P335 Y426 F478 D479 | V334-I338 HydrophobicContact CG1-CD1 3.74Å; V334-I338 VanDerWaalsContact O-CG1 3.29Å; V334-I338 WeakPolarHBondContact O-CG1 3.46Å; V334-I338 PolarHBondContact O-N 2.95Å; V334-I338 VanDerWaalsContact O-N 3.09Å; P335-I338 PolarHBondContact O-N 2.86Å; I338-Y426 WeakPolarHBondContact CG1-OH 3.44Å; I338-F478 HydrophobicContact CD1-CB 4.03Å; I338-D479 HydrophobicContact CG1-CB 4.19Å |
| 339 | Y | 93.9 | Very high | 96 | Very high | 142 Ų | 142 | 28 Ų | 28 | 56% | 0.557 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -96.8 | -38.5 | -167.9 | -63.8 | -60.3 | 0 | 0 | 0 | 114.4 | L286 P335 | L286-Y339 HydrophobicContact CD2-CD2 4.14Å; P335-Y339 HydrophobicContact CB-CD2 3.91Å; P335-Y339 HydrophobicContact CB-CE2 4.09Å; P335-Y339 VanDerWaalsContact O-CB 3.31Å; P335-Y339 WeakPolarHBondContact O-CB 3.47Å; P335-Y339 WeakPolarHBondContact O-CD2 3.32Å; P335-Y339 PolarHBondContact O-N 3.46Å |
| 340 | D | 94.4 | Very high | 96 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | trans | -160 | 91.6 | 179.8 | -161.4 | -41 | 0 | 0 | 0 | 113.5 | R283 L286 G336 Q342 L343 L344 | R283-D340 WeakPolarHBondContact CG-OD2 3.39Å; R283-D340 IonicContact CZ-OD2 3.01Å; R283-D340 VanDerWaalsContact CZ-OD2 3.28Å; R283-D340 IonicContact NE-OD2 3.35Å; R283-D340 PolarHBondContact NE-OD2 3.48Å; R283-D340 IonicContact NH2-OD1 2.76Å; R283-D340 PolarHBondContact NH2-OD1 3.29Å; R283-D340 IonicContact NH2-OD2 2.67Å; R283-D340 PolarHBondContact NH2-OD2 2.92Å; L286-D340 HydrophobicContact CD1-CB 4.09Å; G336-D340 CarbonylContact O-C 3.29Å; G336-D340 WeakPolarHBondContact O-CA 3.16Å; G336-D340 PolarHBondContact O-N 2.89Å; D340-Q342 VanDerWaalsContact C-N 3.3Å; D340-Q342 PolarHBondContact O-N 3.48Å; D340-Q342 PolarHBondContact OD1-N 3.01Å; D340-Q342 VanDerWaalsContact OD1-N 3.14Å; D340-L343 HydrophobicContact CB-CB 3.91Å; D340-L343 PolarHBondContact O-N 3.43Å; D340-L343 PolarHBondContact OD1-N 3.27Å; D340-L344 PolarHBondContact O-N 2.83Å; D340-L344 VanDerWaalsContact O-N 3.08Å | ||
| 341 | R | 92.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 29 Ų | 29 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 180 | -62.9 | 179.1 | -170.2 | 164.8 | 5.2 | 113.1 | G336 L337 L344 H345 L417 D479 S481 | G336-R341 PolarHBondContact O-N 3.34Å; L337-R341 HydrophobicContact CD2-CG 4.39Å; L337-R341 VanDerWaalsContact O-CG 3.24Å; L337-R341 WeakPolarHBondContact O-CG 3.3Å; L337-R341 PolarHBondContact O-NE 3.22Å; R341-L344 PolarHBondContact O-N 3.22Å; R341-H345 WeakPolarHBondContact O-CB 3.41Å; R341-H345 PolarHBondContact O-N 3.4Å; R341-L417 VanDerWaalsContact NH1-CD1 3.26Å; R341-D479 IonicContact NH2-OD2 3.28Å; R341-D479 PolarHBondContact NH2-OD2 2.68Å; R341-S481 PolarHBondContact NH2-OG 3.41Å |
| 342 | Q | 93.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 28 Ų | 28 | 41% | 0.407 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -71.2 | -43.1 | 179.6 | -68.9 | -172.5 | -22.3 | 0 | 0 | 110.9 | D207 F276 D340 L344 H345 V346 | D207-Q342 PolarHBondContact OD2-NE2 3.49Å; F276-Q342 HydrophobicContact CE2-CB 4.41Å; F276-Q342 HydrophobicContact CZ-CB 4.09Å; D340-Q342 VanDerWaalsContact C-N 3.3Å; D340-Q342 PolarHBondContact O-N 3.48Å; D340-Q342 PolarHBondContact OD1-N 3.01Å; D340-Q342 VanDerWaalsContact OD1-N 3.14Å; Q342-L344 VanDerWaalsContact C-N 3.32Å; Q342-L344 PolarHBondContact O-N 3.07Å; Q342-H345 WeakPolarHBondContact O-CB 3.48Å; Q342-H345 PolarHBondContact O-N 3.44Å; Q342-V346 WeakPolarHBondContact O-CG2 3.41Å; Q342-V346 PolarHBondContact O-N 3.09Å |
| 343 | L | 95.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 173.6 | 179.6 | 67 | 0 | 0 | 0 | 110.6 | F276 R283 L286 L287 W290 D340 H345 V346 A347 | F276-L343 HydrophobicContact CE1-CB 4.48Å; F276-L343 HydrophobicContact CE1-CD1 3.95Å; R283-L343 HydrophobicContact CB-CD2 3.84Å; R283-L343 HydrophobicContact CG-CD2 3.96Å; L286-L343 HydrophobicContact CB-CD2 4.1Å; L286-L343 HydrophobicContact CD1-CD2 4.1Å; L287-L343 HydrophobicContact CD2-CD1 4.45Å; L287-L343 HydrophobicContact CG-CD2 4.35Å; W290-L343 HydrophobicContact CH2-CD2 3.93Å; W290-L343 HydrophobicContact CH2-CG 3.91Å; W290-L343 HydrophobicContact CZ3-CD2 3.97Å; W290-L343 HydrophobicContact CZ3-CG 3.89Å; D340-L343 HydrophobicContact CB-CB 3.91Å; D340-L343 PolarHBondContact O-N 3.43Å; D340-L343 PolarHBondContact OD1-N 3.27Å; L343-H345 VanDerWaalsContact C-N 3.33Å; L343-H345 PolarHBondContact O-N 2.89Å; L343-V346 PolarHBondContact O-N 2.85Å; L343-A347 WeakPolarHBondContact O-CB 3.21Å; L343-A347 PolarHBondContact O-N 3.42Å |
| 344 | L | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 177 | -177.4 | 61.6 | 0 | 0 | 0 | 112.1 | W290 Y333 L337 D340 R341 Q342 S348 I404 | W290-L344 HydrophobicContact CH2-CB 4.27Å; W290-L344 HydrophobicContact CH2-CD1 4.15Å; W290-L344 HydrophobicContact CZ2-CD1 4.08Å; Y333-L344 HydrophobicContact CD1-CD1 4.2Å; Y333-L344 HydrophobicContact CD1-CD2 3.85Å; Y333-L344 HydrophobicContact CD1-CG 4.36Å; Y333-L344 HydrophobicContact CD2-CD1 4.37Å; Y333-L344 HydrophobicContact CE1-CD1 4.23Å; Y333-L344 HydrophobicContact CE1-CD2 4.36Å; Y333-L344 HydrophobicContact CE1-CG 4.42Å; Y333-L344 HydrophobicContact CE2-CD1 4.41Å; Y333-L344 HydrophobicContact CG-CD1 4.26Å; Y333-L344 HydrophobicContact CG-CD2 4.28Å; L337-L344 HydrophobicContact CD2-CD2 3.94Å; L337-L344 HydrophobicContact CG-CD2 3.76Å; D340-L344 PolarHBondContact O-N 2.83Å; D340-L344 VanDerWaalsContact O-N 3.08Å; R341-L344 PolarHBondContact O-N 3.22Å; Q342-L344 VanDerWaalsContact C-N 3.32Å; Q342-L344 PolarHBondContact O-N 3.07Å; L344-S348 VanDerWaalsContact O-CB 3.26Å; L344-S348 WeakPolarHBondContact O-CB 3.43Å; L344-S348 PolarHBondContact O-N 2.84Å; L344-S348 PolarHBondContact O-OG 3.23Å; L344-I404 HydrophobicContact CD2-CD1 3.48Å; L344-I404 VanDerWaalsContact CD2-CD1 3.48Å; L344-I404 HydrophobicContact CG-CD1 3.92Å |
| 345 | H | 95.9 | Very high | 96 | Very high | 20 Ų | 20 | 33 Ų | 33 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -53.9 | 173.3 | 179.2 | -73.3 | 0 | 0 | 0 | 111.3 | V209 R341 Q342 L343 A347 S348 V349 I404 W405 | V209-H345 HydrophobicContact CG1-CB 4.44Å; V209-H345 VanDerWaalsContact CG1-ND1 3.33Å; V209-H345 WeakPolarHBondContact CG1-ND1 3.35Å; R341-H345 WeakPolarHBondContact O-CB 3.41Å; R341-H345 PolarHBondContact O-N 3.4Å; Q342-H345 WeakPolarHBondContact O-CB 3.48Å; Q342-H345 PolarHBondContact O-N 3.44Å; L343-H345 VanDerWaalsContact C-N 3.33Å; L343-H345 PolarHBondContact O-N 2.89Å; H345-A347 PolarHBondContact O-N 2.99Å; H345-S348 PolarHBondContact O-N 2.91Å; H345-S348 PolarHBondContact O-OG 3.15Å; H345-V349 VanDerWaalsContact O-CG2 3.29Å; H345-V349 WeakPolarHBondContact O-CG2 3.42Å; H345-V349 PolarHBondContact O-N 3.03Å; H345-V349 VanDerWaalsContact O-N 3.14Å; H345-I404 HydrophobicContact CB-CG2 4.11Å; H345-W405 AromaticContact CD2-CD1 3.4Å; H345-W405 AromaticContact NE2-CD1 3.61Å |
| 346 | V | 96 | Very high | 96 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -180 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | V209 F212 W272 L273 F276 Q342 L343 S348 V349 G350 | V209-V346 HydrophobicContact CB-CG2 4.45Å; V209-V346 HydrophobicContact CG1-CG2 3.87Å; V209-V346 HydrophobicContact CG2-CG2 3.97Å; F212-V346 HydrophobicContact CD1-CG1 4.07Å; F212-V346 HydrophobicContact CE1-CG1 3.92Å; F212-V346 WeakPolarHBondContact CE1-O 3.33Å; W272-V346 HydrophobicContact CH2-CG2 4.16Å; L273-V346 HydrophobicContact CD1-CG1 3.85Å; F276-V346 HydrophobicContact CE1-CB 4.08Å; F276-V346 HydrophobicContact CE1-CG1 4.44Å; F276-V346 HydrophobicContact CE1-CG2 3.86Å; F276-V346 HydrophobicContact CZ-CB 4.49Å; F276-V346 HydrophobicContact CZ-CG2 3.85Å; Q342-V346 WeakPolarHBondContact O-CG2 3.41Å; Q342-V346 PolarHBondContact O-N 3.09Å; L343-V346 PolarHBondContact O-N 2.85Å; V346-S348 PolarHBondContact O-N 2.82Å; V346-V349 PolarHBondContact O-N 3Å; V346-G350 PolarHBondContact O-N 3.01Å |
| 347 | A | 97 | Very high | 96 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W290 L343 H345 G350 C351 | W290-A347 HydrophobicContact CE3-CB 4.25Å; W290-A347 HydrophobicContact CH2-CB 4.4Å; W290-A347 HydrophobicContact CZ3-CB 3.62Å; L343-A347 WeakPolarHBondContact O-CB 3.21Å; L343-A347 PolarHBondContact O-N 3.42Å; H345-A347 PolarHBondContact O-N 2.99Å; A347-G350 PolarHBondContact O-N 3.41Å; A347-C351 WeakPolarHBondContact O-CB 3.3Å; A347-C351 PolarHBondContact O-N 3.4Å |
| 348 | S | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | Y333 L344 H345 V346 C351 L352 S401 W405 | Y333-S348 WeakPolarHBondContact OH-CB 3.37Å; L344-S348 VanDerWaalsContact O-CB 3.26Å; L344-S348 WeakPolarHBondContact O-CB 3.43Å; L344-S348 PolarHBondContact O-N 2.84Å; L344-S348 PolarHBondContact O-OG 3.23Å; H345-S348 PolarHBondContact O-N 2.91Å; H345-S348 PolarHBondContact O-OG 3.15Å; V346-S348 PolarHBondContact O-N 2.82Å; S348-C351 WeakPolarHBondContact O-CB 3.26Å; S348-C351 PolarHBondContact O-N 2.74Å; S348-L352 PolarHBondContact O-N 2.87Å; S348-S401 WeakPolarHBondContact CB-OG 3.31Å; S348-W405 PolarHBondContact OG-NE1 3.44Å |
| 349 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 172 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | F212 L213 V216 H345 V346 C351 L352 A353 W405 | F212-V349 HydrophobicContact CD1-CB 3.63Å; F212-V349 HydrophobicContact CD1-CG1 3.4Å; F212-V349 HydrophobicContact CD1-CG2 4.34Å; F212-V349 HydrophobicContact CE1-CB 3.74Å; F212-V349 HydrophobicContact CE1-CG1 3.54Å; F212-V349 HydrophobicContact CG-CG1 4.15Å; F212-V349 HydrophobicContact CZ-CG1 4.39Å; L213-V349 HydrophobicContact CB-CG1 4.41Å; L213-V349 HydrophobicContact CB-CG2 3.79Å; L213-V349 HydrophobicContact CD1-CG1 4.45Å; L213-V349 HydrophobicContact CD1-CG2 3.86Å; L213-V349 HydrophobicContact CG-CG2 4.4Å; V216-V349 HydrophobicContact CB-CG1 3.75Å; V216-V349 HydrophobicContact CG1-CG1 3.92Å; V216-V349 HydrophobicContact CG2-CG1 3.84Å; H345-V349 VanDerWaalsContact O-CG2 3.29Å; H345-V349 WeakPolarHBondContact O-CG2 3.42Å; H345-V349 PolarHBondContact O-N 3.03Å; H345-V349 VanDerWaalsContact O-N 3.14Å; V346-V349 PolarHBondContact O-N 3Å; V349-C351 VanDerWaalsContact C-N 3.32Å; V349-C351 PolarHBondContact O-N 3.03Å; V349-L352 WeakPolarHBondContact O-CB 3.26Å; V349-L352 PolarHBondContact O-N 2.77Å; V349-A353 PolarHBondContact O-N 2.99Å; V349-A353 VanDerWaalsContact O-N 3.09Å; V349-W405 HydrophobicContact CG2-CZ2 4.08Å |
| 350 | G | 96.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V346 A347 L352 A353 V354 | V346-G350 PolarHBondContact O-N 3.01Å; A347-G350 PolarHBondContact O-N 3.41Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 3.07Å; G350-A353 WeakPolarHBondContact O-CB 3.42Å; G350-A353 PolarHBondContact O-N 3.23Å; G350-V354 WeakPolarHBondContact O-CG2 3.38Å; G350-V354 PolarHBondContact O-N 3.14Å |
| 351 | C | 97.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 28% | 0.277 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.9 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | A347 S348 V349 A353 V354 F355 L397 | A347-C351 WeakPolarHBondContact O-CB 3.3Å; A347-C351 PolarHBondContact O-N 3.4Å; S348-C351 WeakPolarHBondContact O-CB 3.26Å; S348-C351 PolarHBondContact O-N 2.74Å; V349-C351 VanDerWaalsContact C-N 3.32Å; V349-C351 PolarHBondContact O-N 3.03Å; C351-A353 VanDerWaalsContact C-N 3.34Å; C351-A353 PolarHBondContact O-N 3.18Å; C351-V354 PolarHBondContact O-N 2.86Å; C351-F355 WeakPolarHBondContact O-CB 3.21Å; C351-F355 WeakPolarHBondContact O-CD1 3.21Å; C351-F355 WeakPolarHBondContact O-CG 3.16Å; C351-F355 PolarHBondContact O-N 2.86Å; C351-F355 VanDerWaalsContact SG-CE1 3.54Å; C351-L397 HydrophobicContact CB-CD1 4.25Å; C351-L397 HydrophobicContact CB-CD2 4.14Å |
| 352 | L | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 174.2 | 178 | 67.9 | 0 | 0 | 0 | 111 | V217 S348 V349 G350 V354 F355 L356 I394 L397 L398 W405 | V217-L352 HydrophobicContact CG2-CD2 4.02Å; S348-L352 PolarHBondContact O-N 2.87Å; V349-L352 WeakPolarHBondContact O-CB 3.26Å; V349-L352 PolarHBondContact O-N 2.77Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 3.07Å; L352-V354 VanDerWaalsContact C-N 3.34Å; L352-V354 PolarHBondContact O-N 2.78Å; L352-F355 PolarHBondContact O-N 3.27Å; L352-L356 HydrophobicContact CD1-CD1 4.13Å; L352-L356 HydrophobicContact CD1-CG 4.28Å; L352-L356 HydrophobicContact CG-CD1 4Å; L352-L356 WeakPolarHBondContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.39Å; L352-L356 PolarHBondContact O-N 3.29Å; L352-I394 HydrophobicContact CD1-CG2 3.99Å; L352-L397 HydrophobicContact CB-CD2 3.84Å; L352-L397 HydrophobicContact CD1-CD2 4.3Å; L352-L398 HydrophobicContact CD1-CD2 4.28Å; L352-W405 HydrophobicContact CB-CH2 4.4Å; L352-W405 HydrophobicContact CD2-CH2 3.83Å; L352-W405 HydrophobicContact CD2-CZ3 4.31Å |
| 353 | A | 96.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 26% | 0.256 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V216 V349 G350 C351 L356 L357 | V216-A353 HydrophobicContact CG1-CB 3.68Å; V349-A353 PolarHBondContact O-N 2.99Å; V349-A353 VanDerWaalsContact O-N 3.09Å; G350-A353 WeakPolarHBondContact O-CB 3.42Å; G350-A353 PolarHBondContact O-N 3.23Å; C351-A353 VanDerWaalsContact C-N 3.34Å; C351-A353 PolarHBondContact O-N 3.18Å; A353-L356 PolarHBondContact O-N 2.92Å; A353-L357 WeakPolarHBondContact O-CB 3.32Å; A353-L357 PolarHBondContact O-N 3.29Å |
| 354 | V | 97 | Very high | 96.4 | Very high | 78 Ų | 78 | 31 Ų | 31 | 47% | 0.473 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | G350 C351 L352 L356 L357 L358 | G350-V354 WeakPolarHBondContact O-CG2 3.38Å; G350-V354 PolarHBondContact O-N 3.14Å; C351-V354 PolarHBondContact O-N 2.86Å; L352-V354 VanDerWaalsContact C-N 3.34Å; L352-V354 PolarHBondContact O-N 2.78Å; V354-L356 PolarHBondContact O-N 3.14Å; V354-L357 PolarHBondContact O-N 3.26Å; V354-L358 HydrophobicContact CG1-CD1 3.85Å; V354-L358 HydrophobicContact CG1-CG 4.23Å; V354-L358 WeakPolarHBondContact O-CB 3.15Å; V354-L358 VanDerWaalsContact O-CG 3.29Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.47Å |
| 355 | F | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.6 | -79.5 | 15.3 | 0 | 0 | 0 | 111.2 | C351 L352 L358 E359 H393 I394 L397 | C351-F355 WeakPolarHBondContact O-CB 3.21Å; C351-F355 WeakPolarHBondContact O-CD1 3.21Å; C351-F355 WeakPolarHBondContact O-CG 3.16Å; C351-F355 PolarHBondContact O-N 2.86Å; C351-F355 VanDerWaalsContact SG-CE1 3.54Å; L352-F355 PolarHBondContact O-N 3.27Å; F355-L358 PolarHBondContact O-N 3.47Å; F355-E359 WeakPolarHBondContact O-CB 3.43Å; F355-E359 PolarHBondContact O-N 2.93Å; F355-H393 AromaticContact CD2-CD2 3.76Å; F355-I394 HydrophobicContact CB-CG1 4.37Å; F355-L397 HydrophobicContact CD2-CB 4.32Å; F355-L397 HydrophobicContact CD2-CD2 3.95Å; F355-L397 HydrophobicContact CE2-CB 4.16Å; F355-L397 HydrophobicContact CE2-CD2 4.25Å |
| 356 | L | 96.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.1 | -69.8 | 171.7 | 0 | 0 | 0 | 112.1 | L352 A353 V354 E359 Y360 I394 | L352-L356 HydrophobicContact CD1-CD1 4.13Å; L352-L356 HydrophobicContact CD1-CG 4.28Å; L352-L356 HydrophobicContact CG-CD1 4Å; L352-L356 WeakPolarHBondContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CG 3.39Å; L352-L356 PolarHBondContact O-N 3.29Å; A353-L356 PolarHBondContact O-N 2.92Å; V354-L356 PolarHBondContact O-N 3.14Å; L356-E359 PolarHBondContact O-N 3.47Å; L356-Y360 WeakPolarHBondContact O-CD2 3.32Å; L356-Y360 PolarHBondContact O-N 3.18Å; L356-I394 HydrophobicContact CD2-CD1 3.96Å |
| 357 | L | 96.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64 | -47.1 | 177.4 | -179.9 | 64 | 0 | 0 | 0 | 111.9 | F245 T249 A353 V354 E359 Y360 V361 | F245-L357 HydrophobicContact CE1-CD1 4.22Å; F245-L357 HydrophobicContact CZ-CD1 4.21Å; T249-L357 HydrophobicContact CG2-CD1 4.25Å; A353-L357 WeakPolarHBondContact O-CB 3.32Å; A353-L357 PolarHBondContact O-N 3.29Å; V354-L357 PolarHBondContact O-N 3.26Å; L357-E359 PolarHBondContact O-N 2.93Å; L357-Y360 PolarHBondContact O-N 3.37Å; L357-V361 WeakPolarHBondContact O-CG2 3.46Å; L357-V361 PolarHBondContact O-N 3.31Å |
| 358 | L | 96.5 | Very high | 96 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.3 | -70.4 | 175.6 | 0 | 0 | 0 | 111.2 | V354 F355 V361 R362 L373 | V354-L358 HydrophobicContact CG1-CD1 3.85Å; V354-L358 HydrophobicContact CG1-CG 4.23Å; V354-L358 WeakPolarHBondContact O-CB 3.15Å; V354-L358 VanDerWaalsContact O-CG 3.29Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.47Å; F355-L358 PolarHBondContact O-N 3.47Å; L358-V361 PolarHBondContact O-N 3.35Å; L358-R362 WeakPolarHBondContact O-CB 3.31Å; L358-R362 PolarHBondContact O-N 3.17Å; L358-L373 HydrophobicContact CB-CD1 4.44Å; L358-L373 HydrophobicContact CD2-CD1 4.07Å |
| 359 | E | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.2 | -176.4 | 61.8 | -173.3 | 0 | 0 | 112.1 | F355 L356 L357 R362 Y363 L389 I390 | F355-E359 WeakPolarHBondContact O-CB 3.43Å; F355-E359 PolarHBondContact O-N 2.93Å; L356-E359 PolarHBondContact O-N 3.47Å; L357-E359 PolarHBondContact O-N 2.93Å; E359-R362 PolarHBondContact O-N 3.45Å; E359-R362 IonicContact OE1-CZ 3.4Å; E359-R362 IonicContact OE1-NE 3.46Å; E359-R362 PolarHBondContact OE1-NE 3.17Å; E359-R362 IonicContact OE1-NH2 3.34Å; E359-R362 PolarHBondContact OE1-NH2 3.4Å; E359-R362 IonicContact OE2-CZ 3.74Å; E359-R362 IonicContact OE2-NE 3.37Å; E359-R362 PolarHBondContact OE2-NE 3.39Å; E359-R362 IonicContact OE2-NH2 2.63Å; E359-Y363 WeakPolarHBondContact O-CB 3.15Å; E359-Y363 PolarHBondContact O-N 3.04Å; E359-L389 HydrophobicContact CG-CD2 3.97Å; E359-L389 WeakPolarHBondContact OE1-CA 3.41Å; E359-I390 PolarHBondContact OE1-N 2.96Å |
| 360 | Y | 95.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 171 | -62.5 | -25.8 | 0 | 0 | 0 | 112.2 | S220 L223 L356 L357 R362 Y363 F364 | S220-Y360 WeakPolarHBondContact O-CE2 3.33Å; S220-Y360 PolarHBondContact O-OH 2.87Å; L223-Y360 HydrophobicContact CB-CE2 4.42Å; L223-Y360 HydrophobicContact CD2-CD2 4.17Å; L223-Y360 HydrophobicContact CD2-CE2 4.22Å; L223-Y360 HydrophobicContact CG-CE2 4.47Å; L356-Y360 WeakPolarHBondContact O-CD2 3.32Å; L356-Y360 PolarHBondContact O-N 3.18Å; L357-Y360 PolarHBondContact O-N 3.37Å; Y360-R362 VanDerWaalsContact C-N 3.29Å; Y360-R362 PolarHBondContact O-N 3.45Å; Y360-Y363 PolarHBondContact O-N 3.41Å; Y360-F364 HydrophobicContact CD1-CE2 4.41Å; Y360-F364 HydrophobicContact CG-CE2 4.5Å; Y360-F364 WeakPolarHBondContact O-CB 3.27Å; Y360-F364 VanDerWaalsContact O-CD2 3.27Å; Y360-F364 WeakPolarHBondContact O-CD2 3.26Å; Y360-F364 PolarHBondContact O-N 2.97Å |
| 361 | V | 96.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 175.7 | 169 | 0 | 0 | 0 | 0 | 110.7 | F245 L357 L358 R365 I366 F369 G370 L373 | F245-V361 HydrophobicContact CE1-CG2 3.91Å; F245-V361 HydrophobicContact CZ-CG2 4.34Å; L357-V361 WeakPolarHBondContact O-CG2 3.46Å; L357-V361 PolarHBondContact O-N 3.31Å; L358-V361 PolarHBondContact O-N 3.35Å; V361-R365 CarbonylContact O-C 3.58Å; V361-R365 WeakPolarHBondContact O-CA 3.25Å; V361-R365 PolarHBondContact O-N 3.04Å; V361-R365 VanDerWaalsContact O-N 3.09Å; V361-I366 HydrophobicContact CB-CB 4.42Å; V361-I366 HydrophobicContact CG1-CB 4.14Å; V361-I366 HydrophobicContact CG2-CB 4.45Å; V361-I366 PolarHBondContact O-N 3.21Å; V361-F369 HydrophobicContact CG1-CB 4.12Å; V361-G370 WeakPolarHBondContact O-CA 3.3Å; V361-L373 HydrophobicContact CB-CD1 4.25Å; V361-L373 HydrophobicContact CG1-CD1 3.82Å |
| 362 | R | 95.9 | Very high | 95.3 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -49.7 | 175.8 | -175 | -159.7 | 70.9 | 72.2 | 4.1 | 112 | L358 E359 Y360 R365 L373 R374 P388 | L358-R362 WeakPolarHBondContact O-CB 3.31Å; L358-R362 PolarHBondContact O-N 3.17Å; E359-R362 PolarHBondContact O-N 3.45Å; E359-R362 IonicContact OE1-CZ 3.4Å; E359-R362 IonicContact OE1-NE 3.46Å; E359-R362 PolarHBondContact OE1-NE 3.17Å; E359-R362 IonicContact OE1-NH2 3.34Å; E359-R362 PolarHBondContact OE1-NH2 3.4Å; E359-R362 IonicContact OE2-CZ 3.74Å; E359-R362 IonicContact OE2-NE 3.37Å; E359-R362 PolarHBondContact OE2-NE 3.39Å; E359-R362 IonicContact OE2-NH2 2.63Å; Y360-R362 VanDerWaalsContact C-N 3.29Å; Y360-R362 PolarHBondContact O-N 3.45Å; R362-R365 PolarHBondContact O-N 3.11Å; R362-L373 HydrophobicContact CB-CB 4.02Å; R362-L373 HydrophobicContact CB-CD1 4.45Å; R362-L373 HydrophobicContact CG-CB 4.1Å; R362-R374 HydrophobicContact CG-CB 4.15Å; R362-P388 PolarHBondContact NH2-O 2.97Å |
| 363 | Y | 93.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -49.8 | -174.2 | 176.2 | -118.6 | 0 | 0 | 0 | 111.5 | E359 Y360 R365 P388 L389 | E359-Y363 WeakPolarHBondContact O-CB 3.15Å; E359-Y363 PolarHBondContact O-N 3.04Å; Y360-Y363 PolarHBondContact O-N 3.41Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 2.98Å; Y363-P388 HydrophobicContact CD2-CB 3.88Å; Y363-P388 HydrophobicContact CE2-CB 3.2Å; Y363-P388 HydrophobicContact CE2-CG 4.38Å; Y363-L389 HydrophobicContact CD1-CD2 4.4Å; Y363-L389 HydrophobicContact CD2-CD2 4.33Å; Y363-L389 HydrophobicContact CG-CD2 4.04Å |
| 364 | F | 93.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.1 | 177.7 | -59.3 | -59.9 | 0 | 0 | 0 | 113.6 | F227 A228 F231 S236 F245 Y360 I366 | F227-F364 HydrophobicContact CB-CD2 4.26Å; F227-F364 HydrophobicContact CB-CE2 3.66Å; F227-F364 HydrophobicContact CB-CZ 3.92Å; A228-F364 HydrophobicContact CB-CZ 4.13Å; F231-F364 HydrophobicContact CB-CD1 4.25Å; F231-F364 HydrophobicContact CB-CE1 4.41Å; F231-F364 HydrophobicContact CD2-CB 3.97Å; F231-F364 AromaticContact CD2-CD1 3.36Å; F231-F364 HydrophobicContact CD2-CD1 3.36Å; F231-F364 HydrophobicContact CD2-CD2 4.07Å; F231-F364 AromaticContact CD2-CE1 3.75Å; F231-F364 HydrophobicContact CD2-CE1 3.75Å; F231-F364 HydrophobicContact CD2-CE2 4.42Å; F231-F364 AromaticContact CD2-CG 3.54Å; F231-F364 HydrophobicContact CD2-CG 3.54Å; F231-F364 HydrophobicContact CD2-CZ 4.26Å; F231-F364 HydrophobicContact CE2-CB 3.84Å; F231-F364 HydrophobicContact CE2-CD1 4.04Å; F231-F364 HydrophobicContact CE2-CD2 4.01Å; F231-F364 AromaticContact CE2-CG 3.71Å; F231-F364 HydrophobicContact CE2-CG 3.71Å; F231-F364 HydrophobicContact CG-CD1 4.17Å; S236-F364 WeakPolarHBondContact CB-O 3.45Å; S236-F364 PolarHBondContact OG-O 3.34Å; F245-F364 HydrophobicContact CE2-CD2 4.34Å; Y360-F364 HydrophobicContact CD1-CE2 4.41Å; Y360-F364 HydrophobicContact CG-CE2 4.5Å; Y360-F364 WeakPolarHBondContact O-CB 3.27Å; Y360-F364 VanDerWaalsContact O-CD2 3.27Å; Y360-F364 WeakPolarHBondContact O-CD2 3.26Å; Y360-F364 PolarHBondContact O-N 2.97Å; F364-I366 VanDerWaalsContact C-N 3.29Å; F364-I366 HydrophobicContact CB-CD1 3.76Å; F364-I366 HydrophobicContact CB-CG1 3.91Å; F364-I366 PolarHBondContact O-N 3.38Å |
| 365 | R | 94.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 54 Ų | 54 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 40.3 | 178.8 | -54.7 | 175.4 | -171.5 | -174.1 | 10.6 | 113.6 | E237 V361 R362 Y363 L367 | E237-R365 HydrophobicContact CG-CB 4.13Å; E237-R365 WeakPolarHBondContact OE1-CD 3.14Å; E237-R365 IonicContact OE1-CZ 3.33Å; E237-R365 IonicContact OE1-NE 3.52Å; E237-R365 IonicContact OE1-NH1 2.63Å; E237-R365 PolarHBondContact OE1-NH1 3.36Å; V361-R365 CarbonylContact O-C 3.58Å; V361-R365 WeakPolarHBondContact O-CA 3.25Å; V361-R365 PolarHBondContact O-N 3.04Å; V361-R365 VanDerWaalsContact O-N 3.09Å; R362-R365 PolarHBondContact O-N 3.11Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 2.98Å; R365-L367 PolarHBondContact O-N 3.06Å |
| 366 | I | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -67.5 | 127.9 | -178 | -56.1 | -56.7 | 0 | 0 | 0 | 110.6 | F231 F245 H246 V361 F364 F369 G370 | F231-I366 HydrophobicContact CE2-CD1 4.01Å; F231-I366 HydrophobicContact CZ-CD1 3.74Å; F245-I366 HydrophobicContact CB-CD1 3.94Å; F245-I366 HydrophobicContact CB-CG1 4.43Å; F245-I366 HydrophobicContact CB-CG2 4.33Å; F245-I366 HydrophobicContact CD1-CB 4.46Å; F245-I366 HydrophobicContact CD1-CD1 4.43Å; F245-I366 HydrophobicContact CD1-CG1 4.01Å; F245-I366 HydrophobicContact CD1-CG2 3.8Å; F245-I366 HydrophobicContact CD2-CD1 3.93Å; F245-I366 HydrophobicContact CD2-CG1 4.04Å; F245-I366 HydrophobicContact CE1-CG1 4.26Å; F245-I366 HydrophobicContact CE1-CG2 4.42Å; F245-I366 HydrophobicContact CE2-CG1 4.29Å; F245-I366 HydrophobicContact CG-CD1 3.85Å; F245-I366 HydrophobicContact CG-CG1 3.9Å; F245-I366 HydrophobicContact CG-CG2 4.19Å; F245-I366 HydrophobicContact CZ-CG1 4.39Å; H246-I366 WeakPolarHBondContact CE1-CG2 3.42Å; V361-I366 HydrophobicContact CB-CB 4.42Å; V361-I366 HydrophobicContact CG1-CB 4.14Å; V361-I366 HydrophobicContact CG2-CB 4.45Å; V361-I366 PolarHBondContact O-N 3.21Å; F364-I366 VanDerWaalsContact C-N 3.29Å; F364-I366 HydrophobicContact CB-CD1 3.76Å; F364-I366 HydrophobicContact CB-CG1 3.91Å; F364-I366 PolarHBondContact O-N 3.38Å; I366-F369 PolarHBondContact O-N 3.45Å; I366-G370 VanDerWaalsContact O-CA 3.3Å; I366-G370 WeakPolarHBondContact O-CA 3.46Å; I366-G370 PolarHBondContact O-N 2.98Å | ||
| 367 | L | 94.2 | Very high | 94 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 147.8 | 178.4 | -70.1 | 162 | 0 | 0 | 0 | 111.8 | E237 W239 S242 H246 R365 | E237-L367 WeakPolarHBondContact O-CD1 3.22Å; W239-L367 HydrophobicContact CD2-CB 4.31Å; W239-L367 HydrophobicContact CD2-CD1 3.87Å; W239-L367 HydrophobicContact CE3-CB 4.11Å; W239-L367 HydrophobicContact CE3-CD1 4.48Å; W239-L367 HydrophobicContact CG-CD1 3.9Å; W239-L367 HydrophobicContact CH2-CB 4.38Å; W239-L367 HydrophobicContact CZ3-CB 4.15Å; S242-L367 PolarHBondContact OG-N 2.95Å; H246-L367 PolarHBondContact CE1-O 3.03Å; R365-L367 PolarHBondContact O-N 3.06Å |
| 368 | P | 93.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 44% | 0.442 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.1 | -11.2 | 1.5 | 34 | -34.8 | 0 | 0 | 0 | 114.1 | W239 | W239-P368 HydrophobicContact CH2-CB 4.16Š|
| 369 | F | 94.8 | Very high | 93.1 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -17.4 | -164.3 | -58.5 | -61.7 | 0 | 0 | 0 | 115.4 | V361 I366 Q371 L372 L373 | V361-F369 HydrophobicContact CG1-CB 4.12Å; I366-F369 PolarHBondContact O-N 3.45Å; F369-Q371 PolarHBondContact O-N 3.44Å; F369-L372 HydrophobicContact CD1-CD2 4.41Å; F369-L372 WeakPolarHBondContact O-CB 3.39Å; F369-L372 PolarHBondContact O-N 3.39Å; F369-L372 VanDerWaalsContact O-N 3.12Å; F369-L373 HydrophobicContact CB-CD1 4.3Å; F369-L373 WeakPolarHBondContact O-CG 3.25Å; F369-L373 PolarHBondContact O-N 3.24Å |
| 370 | G | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V361 I366 R374 | V361-G370 WeakPolarHBondContact O-CA 3.3Å; I366-G370 VanDerWaalsContact O-CA 3.3Å; I366-G370 WeakPolarHBondContact O-CA 3.46Å; I366-G370 PolarHBondContact O-N 2.98Å; G370-R374 WeakPolarHBondContact O-CB 3.5Å; G370-R374 PolarHBondContact O-N 3.29Å; G370-R374 VanDerWaalsContact O-N 3.07Å |
| 371 | Q | 92.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.8 | -38.2 | 177.8 | -170 | 68.1 | -16 | 0 | 0 | 112.5 | F369 R374 Q375 | F369-Q371 PolarHBondContact O-N 3.44Å; Q371-R374 PolarHBondContact O-N 3.01Å; Q371-Q375 WeakPolarHBondContact O-CG 3.45Å; Q371-Q375 PolarHBondContact O-N 3.35Å |
| 372 | L | 93.5 | Very high | 91.4 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 45% | 0.445 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -50.9 | 175.9 | 176.6 | 64.4 | 0 | 0 | 0 | 110.8 | F369 R374 Q375 L376 | F369-L372 HydrophobicContact CD1-CD2 4.41Å; F369-L372 WeakPolarHBondContact O-CB 3.39Å; F369-L372 PolarHBondContact O-N 3.39Å; F369-L372 VanDerWaalsContact O-N 3.12Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 2.92Å; L372-Q375 PolarHBondContact O-N 3.14Å; L372-L376 HydrophobicContact CD1-CD1 3.99Å; L372-L376 HydrophobicContact CD1-CG 4.13Å; L372-L376 HydrophobicContact CG-CD1 3.94Å; L372-L376 HydrophobicContact CG-CG 4.43Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.01Å |
| 373 | L | 93.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 58.5 Ų | 58.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 177.8 | -73.7 | 170 | 0 | 0 | 0 | 111.3 | L358 V361 R362 F369 Q375 L376 L377 | L358-L373 HydrophobicContact CB-CD1 4.44Å; L358-L373 HydrophobicContact CD2-CD1 4.07Å; V361-L373 HydrophobicContact CB-CD1 4.25Å; V361-L373 HydrophobicContact CG1-CD1 3.82Å; R362-L373 HydrophobicContact CB-CB 4.02Å; R362-L373 HydrophobicContact CB-CD1 4.45Å; R362-L373 HydrophobicContact CG-CB 4.1Å; F369-L373 HydrophobicContact CB-CD1 4.3Å; F369-L373 WeakPolarHBondContact O-CG 3.25Å; F369-L373 PolarHBondContact O-N 3.24Å; L373-Q375 PolarHBondContact O-N 2.74Å; L373-L376 PolarHBondContact O-N 3.48Å; L373-L377 VanDerWaalsContact O-CB 3.31Å; L373-L377 WeakPolarHBondContact O-CB 3.33Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 3.38Å |
| 374 | R | 92.4 | Very high | 89.9 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 177.4 | -174.3 | 177.6 | -177.3 | -174.7 | 3.3 | 111.4 | R362 G370 Q371 L372 T378 | R362-R374 HydrophobicContact CG-CB 4.15Å; G370-R374 WeakPolarHBondContact O-CB 3.5Å; G370-R374 PolarHBondContact O-N 3.29Å; G370-R374 VanDerWaalsContact O-N 3.07Å; Q371-R374 PolarHBondContact O-N 3.01Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 2.92Å; R374-T378 WeakPolarHBondContact O-CB 3.41Å; R374-T378 PolarHBondContact O-N 2.94Å; R374-T378 PolarHBondContact O-OG1 2.67Å |
| 375 | Q | 90.3 | Very high | 89.4 | Confident | 110 Ų | 110 | 57 Ų | 57 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 179.3 | -72.4 | 174.1 | -2.1 | 0 | 0 | 111.6 | Q371 L372 L373 L377 | Q371-Q375 WeakPolarHBondContact O-CG 3.45Å; Q371-Q375 PolarHBondContact O-N 3.35Å; L372-Q375 PolarHBondContact O-N 3.14Å; L373-Q375 PolarHBondContact O-N 2.74Å; Q375-L377 PolarHBondContact O-N 3.13Å |
| 376 | L | 90.8 | Very high | 88.9 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | -179.1 | -69.3 | 177.4 | 0 | 0 | 0 | 112.5 | V301 L302 N305 L372 L373 F380 | V301-L376 HydrophobicContact CG1-CB 4.3Å; V301-L376 HydrophobicContact CG1-CD2 4.5Å; L302-L376 HydrophobicContact CD2-CD2 4.24Å; N305-L376 HydrophobicContact CB-CD2 3.99Å; N305-L376 PolarHBondContact ND2-O 2.97Å; N305-L376 VanDerWaalsContact ND2-O 3.09Å; L372-L376 HydrophobicContact CD1-CD1 3.99Å; L372-L376 HydrophobicContact CD1-CG 4.13Å; L372-L376 HydrophobicContact CG-CD1 3.94Å; L372-L376 HydrophobicContact CG-CG 4.43Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.01Å; L373-L376 PolarHBondContact O-N 3.48Å; L376-F380 WeakPolarHBondContact O-CD2 3.12Å; L376-F380 WeakPolarHBondContact O-CE2 3.35Å |
| 377 | L | 90.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -84.3 | -21 | -175.4 | -63.8 | -179.4 | 0 | 0 | 0 | 113.9 | L373 Q375 L379 F380 I390 | L373-L377 VanDerWaalsContact O-CB 3.31Å; L373-L377 WeakPolarHBondContact O-CB 3.33Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 3.38Å; Q375-L377 PolarHBondContact O-N 3.13Å; L377-L379 PolarHBondContact O-N 3.43Å; L377-L379 VanDerWaalsContact O-N 3.11Å; L377-F380 PolarHBondContact O-N 3.07Å; L377-I390 HydrophobicContact CB-CD1 3.91Å; L377-I390 HydrophobicContact CD1-CD1 4.4Å |
| 378 | T | 88.1 | Confident | 88.3 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.2 | -31.3 | 177.5 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | R374 F380 L381 | R374-T378 WeakPolarHBondContact O-CB 3.41Å; R374-T378 PolarHBondContact O-N 2.94Å; R374-T378 PolarHBondContact O-OG1 2.67Å; T378-F380 PolarHBondContact O-N 3.49Å; T378-L381 HydrophobicContact CG2-CD1 4.23Å |
| 379 | L | 86 | Confident | 88.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.6 | 178.1 | -175 | 148.3 | 0 | 0 | 0 | 112.8 | Q304 R308 A317 L377 | Q304-L379 HydrophobicContact CB-CD1 4.45Å; Q304-L379 HydrophobicContact CB-CD2 4.21Å; R308-L379 HydrophobicContact CB-CD1 3.82Å; R308-L379 HydrophobicContact CG-CD1 4.32Å; A317-L379 HydrophobicContact CB-CD2 3.54Å; A317-L379 PolarHBondContact N-O 3.49Å; L377-L379 PolarHBondContact O-N 3.43Å; L377-L379 VanDerWaalsContact O-N 3.11Å |
| 380 | F | 86 | Confident | 88 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.6 | -172.4 | -60.3 | -81.1 | 0 | 0 | 0 | 114 | V301 Q304 A317 V321 R322 F325 L376 L377 T378 | V301-F380 HydrophobicContact CB-CE2 4.47Å; V301-F380 HydrophobicContact CG1-CE2 4.06Å; V301-F380 HydrophobicContact CG2-CE2 4.24Å; V301-F380 HydrophobicContact CG2-CZ 4.19Å; Q304-F380 HydrophobicContact CB-CZ 4.08Å; Q304-F380 HydrophobicContact CG-CZ 4.43Å; A317-F380 HydrophobicContact CB-CD1 3.76Å; A317-F380 HydrophobicContact CB-CE1 4.12Å; V321-F380 HydrophobicContact CG1-CE1 3.82Å; R322-F380 PolarHBondContact NE-O 3.31Å; R322-F380 PolarHBondContact NH2-O 2.95Å; F325-F380 HydrophobicContact CE2-CD1 4.01Å; F325-F380 AromaticContact CE2-CE1 3.72Å; F325-F380 HydrophobicContact CE2-CE1 3.72Å; F325-F380 HydrophobicContact CE2-CZ 4.44Å; F325-F380 HydrophobicContact CZ-CE1 4.03Å; F325-F380 HydrophobicContact CZ-CZ 4.31Å; L376-F380 WeakPolarHBondContact O-CD2 3.12Å; L376-F380 WeakPolarHBondContact O-CE2 3.35Å; L377-F380 PolarHBondContact O-N 3.07Å; T378-F380 PolarHBondContact O-N 3.49Å |
| 381 | L | 85.4 | Confident | 87.9 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | trans | -54.6 | 138.3 | 179.4 | -68 | 176.2 | 0 | 0 | 0 | 112.1 | R322 T378 D385 I390 | R322-L381 VanDerWaalsContact NH2-C 3.34Å; R322-L381 PolarHBondContact NH2-O 3.03Å; T378-L381 HydrophobicContact CG2-CD1 4.23Å; L381-D385 HydrophobicContact CD2-CB 3.99Å; L381-I390 HydrophobicContact CD2-CB 4.44Å; L381-I390 HydrophobicContact CD2-CD1 3.51Å; L381-I390 HydrophobicContact CD2-CG1 3.54Å; L381-I390 HydrophobicContact CD2-CG2 4.15Å | ||
| 382 | D | 80.4 | Confident | 87.8 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | trans | -118.1 | 172.9 | 176.7 | -158.2 | 16.3 | 0 | 0 | 0 | 112.9 | R322 R384 D385 | R322-D382 IonicContact CZ-OD1 3.55Å; R322-D382 IonicContact CZ-OD2 3.86Å; R322-D382 IonicContact NH1-OD1 2.86Å; R322-D382 PolarHBondContact NH1-OD1 2.82Å; R322-D382 IonicContact NH1-OD2 2.94Å; R322-D382 PolarHBondContact NH1-OD2 3.42Å; R322-D382 IonicContact NH2-OD1 3.35Å; R322-D382 PolarHBondContact NH2-OD1 2.89Å; D382-R384 PolarHBondContact O-N 2.83Å; D382-R384 VanDerWaalsContact O-N 3.12Å; D382-D385 PolarHBondContact N-OD2 3.41Å; D382-D385 PolarHBondContact O-N 2.89Å | ||
| 383 | E | 77.4 | Confident | 87.7 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.5 | 172.3 | 63.3 | -174.9 | -178.4 | 0 | 0 | 112.9 | D385 S386 | E383-D385 VanDerWaalsContact C-N 3.35Å; E383-S386 PolarHBondContact O-OG 3.28Å |
| 384 | R | 79.8 | Confident | 87.7 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 17% | 0.17 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -26.7 | 177 | -64.1 | 163 | 177.1 | -166.6 | -0.4 | 112.8 | R60 D382 S386 I508 D509 | R60-R384 VanDerWaalsContact CD-O 3.26Å; R60-R384 WeakPolarHBondContact CD-O 3.33Å; R60-R384 PolarHBondContact NH1-O 3.11Å; D382-R384 PolarHBondContact O-N 2.83Å; D382-R384 VanDerWaalsContact O-N 3.12Å; R384-S386 VanDerWaalsContact C-N 3.28Å; R384-S386 PolarHBondContact O-N 3.13Å; R384-I508 HydrophobicContact CB-CD1 4.34Å; R384-I508 HydrophobicContact CB-CG1 4.38Å; R384-I508 HydrophobicContact CG-CG1 4.2Å; R384-D509 IonicContact CZ-OD1 2.77Å; R384-D509 IonicContact CZ-OD2 2.93Å; R384-D509 IonicContact NH1-OD1 3.6Å; R384-D509 PolarHBondContact NH1-OD1 3.38Å; R384-D509 IonicContact NH1-OD2 3.13Å; R384-D509 PolarHBondContact NH1-OD2 3.05Å; R384-D509 IonicContact NH2-OD1 3.6Å; R384-D509 PolarHBondContact NH2-OD1 3.04Å; R384-D509 IonicContact NH2-OD2 3.34Å; R384-D509 PolarHBondContact NH2-OD2 3.37Å |
| 385 | D | 84.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | trans | -93.8 | 52.5 | 179.9 | -59.2 | -53.7 | 0 | 0 | 0 | 110.9 | L381 D382 E383 I390 L391 T392 | L381-D385 HydrophobicContact CD2-CB 3.99Å; D382-D385 PolarHBondContact N-OD2 3.41Å; D382-D385 PolarHBondContact O-N 2.89Å; E383-D385 VanDerWaalsContact C-N 3.35Å; D385-I390 HydrophobicContact CB-CG2 4.43Å; D385-L391 PolarHBondContact OD1-N 3.29Å; D385-T392 PolarHBondContact OD1-N 3.34Å; D385-T392 PolarHBondContact OD1-OG1 3.36Å; D385-T392 VanDerWaalsContact OD1-OG1 3.06Å; D385-T392 WeakPolarHBondContact OD2-CB 3.32Å; D385-T392 PolarHBondContact OD2-OG1 2.84Å | ||
| 386 | S | 83.6 | Confident | 88 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | trans | -80.3 | -15.8 | -178.7 | -72.5 | 0 | 0 | 0 | 0 | 114.1 | E383 R384 | E383-S386 PolarHBondContact O-OG 3.28Å; R384-S386 VanDerWaalsContact C-N 3.28Å; R384-S386 PolarHBondContact O-N 3.13Å | ||
| 387 | G | 87.4 | Confident | 88.3 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -94 | -174.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L389 | G387-L389 VanDerWaalsContact C-N 3.26Å; G387-L389 PolarHBondContact O-N 3.3Å |
| 388 | P | 89.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -60.8 | -33 | 174.8 | 20 | -31.2 | 0 | 0 | 0 | 113.9 | L171 P172 C174 R362 Y363 | L171-P388 HydrophobicContact CD2-CG 4.15Å; P172-P388 WeakPolarHBondContact O-CD 3.33Å; C174-P388 WeakPolarHBondContact SG-CD 3.47Å; R362-P388 PolarHBondContact NH2-O 2.97Å; Y363-P388 HydrophobicContact CD2-CB 3.88Å; Y363-P388 HydrophobicContact CE2-CB 3.2Å; Y363-P388 HydrophobicContact CE2-CG 4.38Å |
| 389 | L | 91.3 | Very high | 89 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -95.4 | 146.5 | 179.7 | -57.8 | -176.2 | 0 | 0 | 0 | 112 | L171 E359 Y363 G387 L391 | L171-L389 HydrophobicContact CD1-CD1 3.6Å; L171-L389 HydrophobicContact CD2-CD1 3.7Å; L171-L389 HydrophobicContact CD2-CD2 4.45Å; L171-L389 HydrophobicContact CD2-CG 3.82Å; L171-L389 HydrophobicContact CG-CD1 4.3Å; E359-L389 HydrophobicContact CG-CD2 3.97Å; E359-L389 WeakPolarHBondContact OE1-CA 3.41Å; Y363-L389 HydrophobicContact CD1-CD2 4.4Å; Y363-L389 HydrophobicContact CD2-CD2 4.33Å; Y363-L389 HydrophobicContact CG-CD2 4.04Å; G387-L389 VanDerWaalsContact C-N 3.26Å; G387-L389 PolarHBondContact O-N 3.3Å; L389-L391 HydrophobicContact CB-CD2 3.87Å; L389-L391 HydrophobicContact CB-CG 4.13Å; L389-L391 HydrophobicContact CD1-CD2 4.15Å |
| 390 | I | 92.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | trans | -94.7 | 102.7 | 170 | -52.5 | 178 | 0 | 0 | 0 | 106.4 | E359 L377 L381 D385 H393 | E359-I390 PolarHBondContact OE1-N 2.96Å; L377-I390 HydrophobicContact CB-CD1 3.91Å; L377-I390 HydrophobicContact CD1-CD1 4.4Å; L381-I390 HydrophobicContact CD2-CB 4.44Å; L381-I390 HydrophobicContact CD2-CD1 3.51Å; L381-I390 HydrophobicContact CD2-CG1 3.54Å; L381-I390 HydrophobicContact CD2-CG2 4.15Å; D385-I390 HydrophobicContact CB-CG2 4.43Å; I390-H393 PolarHBondContact O-CE1 2.93Å; I390-H393 PolarHBondContact O-ND1 2.94Å | ||
| 391 | L | 90.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | trans | -99.2 | -19 | -173.2 | -62.1 | 178.8 | 0 | 0 | 0 | 112.7 | C174 F175 D385 L389 H393 I394 Y395 | C174-L391 HydrophobicContact CB-CD1 4.04Å; F175-L391 HydrophobicContact CD1-CD1 4.17Å; F175-L391 HydrophobicContact CE1-CD1 3.63Å; F175-L391 HydrophobicContact CZ-CD1 4.09Å; D385-L391 PolarHBondContact OD1-N 3.29Å; L389-L391 HydrophobicContact CB-CD2 3.87Å; L389-L391 HydrophobicContact CB-CG 4.13Å; L389-L391 HydrophobicContact CD1-CD2 4.15Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.89Å; L391-I394 HydrophobicContact CD2-CD1 4.23Å; L391-I394 CarbonylContact O-C 2.93Å; L391-I394 WeakPolarHBondContact O-CB 3.49Å; L391-I394 PolarHBondContact O-N 3.49Å; L391-Y395 HydrophobicContact CB-CD2 3.67Å; L391-Y395 HydrophobicContact CB-CE2 3.4Å; L391-Y395 VanDerWaalsContact CB-CE2 3.4Å; L391-Y395 HydrophobicContact CD1-CE2 3.91Å; L391-Y395 HydrophobicContact CG-CE2 4.28Å; L391-Y395 WeakPolarHBondContact O-CD2 3.46Å; L391-Y395 PolarHBondContact O-N 3.31Å | ||
| 392 | T | 90.3 | Very high | 90.7 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54 | -43.3 | -174.3 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | D385 Y395 L396 | D385-T392 PolarHBondContact OD1-N 3.34Å; D385-T392 PolarHBondContact OD1-OG1 3.36Å; D385-T392 VanDerWaalsContact OD1-OG1 3.06Å; D385-T392 WeakPolarHBondContact OD2-CB 3.32Å; D385-T392 PolarHBondContact OD2-OG1 2.84Å; T392-Y395 PolarHBondContact O-N 3.04Å; T392-L396 PolarHBondContact O-N 3.43Å |
| 393 | H | 90.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 25.6 Ų | 25.6 | 25% | 0.25 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.8 | -32.4 | 179.5 | 64.9 | -82.4 | 0 | 0 | 0 | 112.7 | F355 I390 L391 L396 L397 | F355-H393 AromaticContact CD2-CD2 3.76Å; I390-H393 PolarHBondContact O-CE1 2.93Å; I390-H393 PolarHBondContact O-ND1 2.94Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.89Å; H393-L396 PolarHBondContact O-N 3.28Å; H393-L397 PolarHBondContact O-N 3.32Å |
| 394 | I | 95 | Very high | 92.3 | Very high | 9 Ų | 9 | 20 Ų | 20 | 5% | 0.046 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 172.2 | -59 | 175.9 | 0 | 0 | 0 | 109.7 | L352 F355 L356 L391 L396 L397 L398 | L352-I394 HydrophobicContact CD1-CG2 3.99Å; F355-I394 HydrophobicContact CB-CG1 4.37Å; L356-I394 HydrophobicContact CD2-CD1 3.96Å; L391-I394 HydrophobicContact CD2-CD1 4.23Å; L391-I394 CarbonylContact O-C 2.93Å; L391-I394 WeakPolarHBondContact O-CB 3.49Å; L391-I394 PolarHBondContact O-N 3.49Å; I394-L396 VanDerWaalsContact C-N 3.35Å; I394-L396 PolarHBondContact O-N 2.86Å; I394-L397 WeakPolarHBondContact O-CB 3.35Å; I394-L397 PolarHBondContact O-N 3.34Å; I394-L398 HydrophobicContact CG2-CD1 4.1Å; I394-L398 HydrophobicContact CG2-CG 4.31Å; I394-L398 WeakPolarHBondContact O-CG 3.34Å; I394-L398 PolarHBondContact O-N 3.01Å |
| 395 | Y | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.5 | -33 | 176.9 | -71 | -43.9 | 0 | 0 | 0 | 113.2 | F175 I183 L391 T392 L397 L398 G399 I508 L511 | F175-Y395 WeakPolarHBondContact CD1-OH 3.35Å; F175-Y395 WeakPolarHBondContact CE1-OH 3.49Å; I183-Y395 HydrophobicContact CD1-CE1 3.77Å; I183-Y395 HydrophobicContact CG1-CE1 3.96Å; L391-Y395 HydrophobicContact CB-CD2 3.67Å; L391-Y395 HydrophobicContact CB-CE2 3.4Å; L391-Y395 VanDerWaalsContact CB-CE2 3.4Å; L391-Y395 HydrophobicContact CD1-CE2 3.91Å; L391-Y395 HydrophobicContact CG-CE2 4.28Å; L391-Y395 WeakPolarHBondContact O-CD2 3.46Å; L391-Y395 PolarHBondContact O-N 3.31Å; T392-Y395 PolarHBondContact O-N 3.04Å; Y395-L397 VanDerWaalsContact C-N 3.35Å; Y395-L398 HydrophobicContact CD1-CD1 3.91Å; Y395-L398 HydrophobicContact CE1-CD1 4.28Å; Y395-L398 PolarHBondContact O-N 3.4Å; Y395-G399 PolarHBondContact O-N 2.91Å; Y395-I508 HydrophobicContact CD2-CB 4.34Å; Y395-I508 HydrophobicContact CD2-CD1 3.41Å; Y395-I508 VanDerWaalsContact CD2-CD1 3.41Å; Y395-I508 HydrophobicContact CD2-CG1 4.37Å; Y395-I508 HydrophobicContact CD2-CG2 3.67Å; Y395-I508 HydrophobicContact CE2-CD1 3.18Å; Y395-I508 HydrophobicContact CE2-CG1 4.42Å; Y395-I508 HydrophobicContact CE2-CG2 4.37Å; Y395-I508 HydrophobicContact CG-CG2 3.9Å; Y395-L511 HydrophobicContact CD1-CB 4.38Å; Y395-L511 HydrophobicContact CD1-CD1 4.49Å; Y395-L511 HydrophobicContact CD1-CD2 4.5Å; Y395-L511 HydrophobicContact CE1-CD2 4.17Å |
| 396 | L | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 170.2 | -179.8 | 58.8 | 0 | 0 | 0 | 110.8 | F325 V329 T392 H393 I394 G399 M400 V432 | F325-L396 HydrophobicContact CB-CD2 4.27Å; V329-L396 HydrophobicContact CG1-CD1 4.12Å; V329-L396 HydrophobicContact CG1-CD2 4.37Å; V329-L396 HydrophobicContact CG1-CG 4.29Å; T392-L396 PolarHBondContact O-N 3.43Å; H393-L396 PolarHBondContact O-N 3.28Å; I394-L396 VanDerWaalsContact C-N 3.35Å; I394-L396 PolarHBondContact O-N 2.86Å; L396-G399 PolarHBondContact O-N 3.01Å; L396-M400 HydrophobicContact CD1-CG 4.48Å; L396-M400 VanDerWaalsContact O-CG 3.27Å; L396-M400 WeakPolarHBondContact O-CG 3.37Å; L396-M400 PolarHBondContact O-N 2.83Å; L396-V432 HydrophobicContact CD1-CG1 3.53Å |
| 397 | L | 97.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.4 | 180 | 69.8 | 0 | 0 | 0 | 111.5 | Y333 C351 L352 F355 H393 I394 Y395 G399 M400 S401 | Y333-L397 VanDerWaalsContact OH-CD1 3.26Å; Y333-L397 WeakPolarHBondContact OH-CD1 3.29Å; C351-L397 HydrophobicContact CB-CD1 4.25Å; C351-L397 HydrophobicContact CB-CD2 4.14Å; L352-L397 HydrophobicContact CB-CD2 3.84Å; L352-L397 HydrophobicContact CD1-CD2 4.3Å; F355-L397 HydrophobicContact CD2-CB 4.32Å; F355-L397 HydrophobicContact CD2-CD2 3.95Å; F355-L397 HydrophobicContact CE2-CB 4.16Å; F355-L397 HydrophobicContact CE2-CD2 4.25Å; H393-L397 PolarHBondContact O-N 3.32Å; I394-L397 WeakPolarHBondContact O-CB 3.35Å; I394-L397 PolarHBondContact O-N 3.34Å; Y395-L397 VanDerWaalsContact C-N 3.35Å; L397-G399 PolarHBondContact O-N 3.37Å; L397-M400 PolarHBondContact O-N 3.28Å; L397-S401 VanDerWaalsContact O-CB 3.28Å; L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 3.06Å; L397-S401 PolarHBondContact O-OG 2.87Å |
| 398 | L | 97.1 | Very high | 93.3 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 12% | 0.115 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 178.1 | -70 | 177.2 | 0 | 0 | 0 | 111.6 | I183 L352 I394 Y395 M400 S401 L402 W405 | I183-L398 HydrophobicContact CD1-CD1 4.31Å; L352-L398 HydrophobicContact CD1-CD2 4.28Å; I394-L398 HydrophobicContact CG2-CD1 4.1Å; I394-L398 HydrophobicContact CG2-CG 4.31Å; I394-L398 WeakPolarHBondContact O-CG 3.34Å; I394-L398 PolarHBondContact O-N 3.01Å; Y395-L398 HydrophobicContact CD1-CD1 3.91Å; Y395-L398 HydrophobicContact CE1-CD1 4.28Å; Y395-L398 PolarHBondContact O-N 3.4Å; L398-M400 VanDerWaalsContact C-N 3.29Å; L398-M400 PolarHBondContact O-N 3.43Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-S401 VanDerWaalsContact O-N 3.11Å; L398-L402 HydrophobicContact CB-CD1 4.2Å; L398-L402 HydrophobicContact CB-CG 4.46Å; L398-L402 VanDerWaalsContact O-CB 3.32Å; L398-L402 WeakPolarHBondContact O-CB 3.43Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.42Å; L398-W405 HydrophobicContact CD2-CH2 3.7Å; L398-W405 HydrophobicContact CD2-CZ3 3.43Å; L398-W405 VanDerWaalsContact CD2-CZ3 3.43Å |
| 399 | G | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y395 L396 L397 P403 G428 N510 P514 | Y395-G399 PolarHBondContact O-N 2.91Å; L396-G399 PolarHBondContact O-N 3.01Å; L397-G399 PolarHBondContact O-N 3.37Å; G399-P403 WeakPolarHBondContact O-CD 3.32Å; G399-G428 VanDerWaalsContact O-CA 3.29Å; G399-G428 WeakPolarHBondContact O-CA 3.33Å; G399-N510 WeakPolarHBondContact CA-O 2.83Å; G399-P514 VanDerWaalsContact O-CB 3.23Å; G399-P514 WeakPolarHBondContact O-CB 3.1Å; G399-P514 VanDerWaalsContact O-CG 3.3Å; G399-P514 WeakPolarHBondContact O-CG 3.33Å |
| 400 | M | 97.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76.2 | -32.1 | 176.8 | -59.6 | -65.8 | -67 | 0 | 0 | 112.2 | V329 V330 Y333 L396 L397 L398 G428 V429 V432 | V329-M400 HydrophobicContact CG1-CE 4.03Å; V329-M400 HydrophobicContact CG1-CG 3.95Å; V329-M400 HydrophobicContact CG1-SD 4.14Å; V329-M400 HydrophobicContact CG2-CB 4.39Å; V329-M400 HydrophobicContact CG2-CE 4.37Å; V329-M400 HydrophobicContact CG2-CG 3.88Å; V330-M400 HydrophobicContact CG2-CE 4.45Å; Y333-M400 HydrophobicContact CD1-CB 3.82Å; Y333-M400 HydrophobicContact CD1-CE 4.29Å; Y333-M400 HydrophobicContact CD2-CB 4.31Å; Y333-M400 HydrophobicContact CD2-CE 4.28Å; Y333-M400 HydrophobicContact CE1-CB 3.5Å; Y333-M400 WeakPolarHBondContact CE1-O 3.42Å; Y333-M400 HydrophobicContact CE2-CB 4.03Å; Y333-M400 HydrophobicContact CG-CB 4.22Å; Y333-M400 HydrophobicContact CG-CE 3.88Å; L396-M400 HydrophobicContact CD1-CG 4.48Å; L396-M400 VanDerWaalsContact O-CG 3.27Å; L396-M400 WeakPolarHBondContact O-CG 3.37Å; L396-M400 PolarHBondContact O-N 2.83Å; L397-M400 PolarHBondContact O-N 3.28Å; L398-M400 VanDerWaalsContact C-N 3.29Å; L398-M400 PolarHBondContact O-N 3.43Å; M400-G428 VanDerWaalsContact SD-C 3.52Å; M400-V429 HydrophobicContact CE-CB 4.1Å; M400-V429 HydrophobicContact CE-CG2 3.5Å; M400-V432 HydrophobicContact SD-CB 4.39Å; M400-V432 HydrophobicContact SD-CG1 4.47Å |
| 401 | S | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -94.6 | -31.7 | -170.1 | -46.4 | 0 | 0 | 0 | 0 | 114.9 | Y333 S348 L397 L398 I404 W405 | Y333-S401 PolarHBondContact OH-OG 3.14Å; S348-S401 WeakPolarHBondContact CB-OG 3.31Å; L397-S401 VanDerWaalsContact O-CB 3.28Å; L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 3.06Å; L397-S401 PolarHBondContact O-OG 2.87Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-S401 VanDerWaalsContact O-N 3.11Å; S401-I404 WeakPolarHBondContact O-CA 3.22Å; S401-I404 WeakPolarHBondContact O-CB 3.45Å; S401-I404 PolarHBondContact O-N 2.98Å; S401-W405 PolarHBondContact O-N 3.47Å |
| 402 | L | 96.6 | Very high | 91.6 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 16% | 0.162 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.4 | -43.4 | -177.5 | -77.9 | 167.8 | 0 | 0 | 0 | 112.7 | L398 I404 W405 L406 L511 L515 | L398-L402 HydrophobicContact CB-CD1 4.2Å; L398-L402 HydrophobicContact CB-CG 4.46Å; L398-L402 VanDerWaalsContact O-CB 3.32Å; L398-L402 WeakPolarHBondContact O-CB 3.43Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.42Å; L402-I404 PolarHBondContact O-N 3.24Å; L402-I404 VanDerWaalsContact O-N 3.16Å; L402-W405 HydrophobicContact CD2-CE3 4.03Å; L402-W405 HydrophobicContact CD2-CZ3 4.47Å; L402-W405 PolarHBondContact O-N 3.48Å; L402-L406 HydrophobicContact CB-CD1 4.16Å; L402-L406 HydrophobicContact CD2-CD1 4.18Å; L402-L406 VanDerWaalsContact O-CB 3.25Å; L402-L406 WeakPolarHBondContact O-CB 3.46Å; L402-L406 VanDerWaalsContact O-CG 3.23Å; L402-L406 WeakPolarHBondContact O-CG 3.47Å; L402-L406 PolarHBondContact O-N 3.4Å; L402-L511 HydrophobicContact CD1-CD1 3.74Å; L402-L515 HydrophobicContact CB-CD2 4.14Å; L402-L515 HydrophobicContact CD1-CD1 4.24Å; L402-L515 HydrophobicContact CD1-CD2 4.18Å; L402-L515 HydrophobicContact CD1-CG 4.4Å |
| 403 | P | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -26.2 | 175.1 | -28.1 | 38.8 | 0 | 0 | 0 | 114.5 | G399 F407 V424 A427 P514 F518 | G399-P403 WeakPolarHBondContact O-CD 3.32Å; P403-F407 WeakPolarHBondContact O-CB 3.46Å; P403-F407 PolarHBondContact O-N 3.25Å; P403-V424 WeakPolarHBondContact CB-O 3.48Å; P403-A427 HydrophobicContact CB-CB 4.06Å; P403-A427 HydrophobicContact CG-CB 3.95Å; P403-P514 HydrophobicContact CG-CB 4.08Å; P403-F518 HydrophobicContact CB-CD2 3.93Å |
| 404 | I | 95.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -83.2 | -45 | 177.1 | -55.6 | 170.4 | 0 | 0 | 0 | 110 | Y333 L337 L344 H345 S401 L402 L406 F407 | Y333-I404 HydrophobicContact CD1-CD1 3.81Å; Y333-I404 HydrophobicContact CE1-CD1 3.77Å; L337-I404 HydrophobicContact CD2-CD1 3.77Å; L337-I404 HydrophobicContact CD2-CG1 3.89Å; L344-I404 HydrophobicContact CD2-CD1 3.48Å; L344-I404 VanDerWaalsContact CD2-CD1 3.48Å; L344-I404 HydrophobicContact CG-CD1 3.92Å; H345-I404 HydrophobicContact CB-CG2 4.11Å; S401-I404 WeakPolarHBondContact O-CA 3.22Å; S401-I404 WeakPolarHBondContact O-CB 3.45Å; S401-I404 PolarHBondContact O-N 2.98Å; L402-I404 PolarHBondContact O-N 3.24Å; L402-I404 VanDerWaalsContact O-N 3.16Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 3.03Å; I404-F407 WeakPolarHBondContact O-CB 3.22Å; I404-F407 PolarHBondContact O-N 3.07Å |
| 405 | W | 95.1 | Very high | 88.1 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -32.5 | -178.8 | -61.9 | -9.2 | 0 | 0 | 0 | 113 | L213 H345 S348 V349 L352 L398 S401 L402 | L213-W405 HydrophobicContact CD1-CD2 3.93Å; L213-W405 HydrophobicContact CD1-CE3 3.71Å; L213-W405 HydrophobicContact CD1-CH2 4.1Å; L213-W405 HydrophobicContact CD1-CZ2 4.26Å; L213-W405 HydrophobicContact CD1-CZ3 3.79Å; L213-W405 HydrophobicContact CD2-CB 3.82Å; L213-W405 HydrophobicContact CD2-CD2 3.84Å; L213-W405 HydrophobicContact CD2-CE3 3.86Å; L213-W405 HydrophobicContact CD2-CG 3.85Å; L213-W405 HydrophobicContact CG-CE3 4.48Å; H345-W405 AromaticContact CD2-CD1 3.4Å; H345-W405 AromaticContact NE2-CD1 3.61Å; S348-W405 PolarHBondContact OG-NE1 3.44Å; V349-W405 HydrophobicContact CG2-CZ2 4.08Å; L352-W405 HydrophobicContact CB-CH2 4.4Å; L352-W405 HydrophobicContact CD2-CH2 3.83Å; L352-W405 HydrophobicContact CD2-CZ3 4.31Å; L398-W405 HydrophobicContact CD2-CH2 3.7Å; L398-W405 HydrophobicContact CD2-CZ3 3.43Å; L398-W405 VanDerWaalsContact CD2-CZ3 3.43Å; S401-W405 PolarHBondContact O-N 3.47Å; L402-W405 HydrophobicContact CD2-CE3 4.03Å; L402-W405 HydrophobicContact CD2-CZ3 4.47Å; L402-W405 PolarHBondContact O-N 3.48Å |
| 406 | L | 92.9 | Very high | 86.6 | Confident | 55 Ų | 55 | 40.3 Ų | 40.3 | 29% | 0.288 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -5.1 | -179.6 | -61 | 169.3 | 0 | 0 | 0 | 112.7 | M77 L402 I404 L515 F518 | M77-L406 HydrophobicContact CE-CD2 4.34Å; M77-L406 HydrophobicContact SD-CD1 3.75Å; M77-L406 HydrophobicContact SD-CD2 4.27Å; M77-L406 HydrophobicContact SD-CG 4.41Å; L402-L406 HydrophobicContact CB-CD1 4.16Å; L402-L406 HydrophobicContact CD2-CD1 4.18Å; L402-L406 VanDerWaalsContact O-CB 3.25Å; L402-L406 WeakPolarHBondContact O-CB 3.46Å; L402-L406 VanDerWaalsContact O-CG 3.23Å; L402-L406 WeakPolarHBondContact O-CG 3.47Å; L402-L406 PolarHBondContact O-N 3.4Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 3.03Å; L406-L515 HydrophobicContact CD1-CD2 3.76Å; L406-F518 HydrophobicContact CB-CE2 4.18Å; L406-F518 HydrophobicContact CB-CZ 3.93Å |
| 407 | F | 89.5 | Confident | 85.6 | Confident | 48 Ų | 48 | 40 Ų | 40 | 21% | 0.211 | 23% | 0.234 | C | C | . | . | trans | -60.9 | 126.6 | -179 | -173.5 | -102.1 | 0 | 0 | 0 | 110.3 | P403 I404 G409 A412 L417 V424 P425 | P403-F407 WeakPolarHBondContact O-CB 3.46Å; P403-F407 PolarHBondContact O-N 3.25Å; I404-F407 WeakPolarHBondContact O-CB 3.22Å; I404-F407 PolarHBondContact O-N 3.07Å; F407-G409 PolarHBondContact O-N 3.45Å; F407-A412 HydrophobicContact CE1-CB 3.72Å; F407-A412 HydrophobicContact CZ-CB 3.85Å; F407-L417 HydrophobicContact CZ-CD1 4.21Å; F407-L417 HydrophobicContact CZ-CD2 3.96Å; F407-V424 HydrophobicContact CD2-CB 4.24Å; F407-V424 HydrophobicContact CD2-CG1 3.85Å; F407-V424 HydrophobicContact CE2-CB 4.2Å; F407-V424 HydrophobicContact CE2-CG1 4.26Å; F407-P425 HydrophobicContact CD2-CG 3.73Å; F407-P425 HydrophobicContact CE2-CG 3.79Å; F407-P425 HydrophobicContact CG-CG 4.32Å; F407-P425 HydrophobicContact CZ-CG 4.43Å | ||
| 408 | P | 79.8 | Confident | 84.5 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | trans | -79.5 | 68 | -174.5 | 33.5 | -37.2 | 0 | 0 | 0 | 111.3 | L81 P410 C411 A412 L522 | L81-P408 HydrophobicContact CD2-CB 3.65Å; L81-P408 HydrophobicContact CD2-CG 3.71Å; P408-P410 VanDerWaalsContact C-CD 3.48Å; P408-P410 VanDerWaalsContact C-N 3.3Å; P408-C411 HydrophobicContact CB-CB 4.13Å; P408-C411 CarbonylContact O-C 3.55Å; P408-C411 PolarHBondContact O-N 3.23Å; P408-A412 PolarHBondContact O-N 3.01Å; P408-L522 HydrophobicContact CG-CD1 4.23Å | ||
| 409 | G | 81.6 | Confident | 83.9 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -47.3 | -45.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F407 C411 A412 | F407-G409 PolarHBondContact O-N 3.45Å; G409-C411 VanDerWaalsContact C-N 3.26Å; G409-C411 PolarHBondContact O-N 3.14Å; G409-A412 PolarHBondContact O-N 3.37Å |
| 410 | P | 81.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 43 Ų | 43 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -68.6 | -16.7 | 178.2 | -24.7 | 37.3 | 0 | 0 | 0 | 115.9 | N90 F93 P408 | N90-P410 PolarHBondContact ND2-O 3.46Å; F93-P410 HydrophobicContact CD2-CB 3.81Å; F93-P410 HydrophobicContact CD2-CG 4.37Å; F93-P410 HydrophobicContact CE1-CG 4.29Å; F93-P410 HydrophobicContact CE2-CB 3.47Å; F93-P410 VanDerWaalsContact CE2-CB 3.47Å; F93-P410 HydrophobicContact CE2-CG 3.64Å; F93-P410 HydrophobicContact CZ-CB 3.96Å; F93-P410 HydrophobicContact CZ-CG 3.6Å; P408-P410 VanDerWaalsContact C-CD 3.48Å; P408-P410 VanDerWaalsContact C-N 3.3Å |
| 411 | C | 83.6 | Confident | 83 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -108.5 | -6.1 | 177.5 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | C85 S88 F93 P408 G409 | C85-C411 VanDerWaalsContact CA-SG 3.51Å; C85-C411 HydrophobicContact CB-CB 3.94Å; C85-C411 WeakPolarHBondContact CB-SG 3.37Å; C85-C411 WeakPolarHBondContact SG-CB 3.19Å; C85-C411 CovalentContact SG-SG 2.05Å; C85-C411 PolarHBondContact SG-SG 3.4Å; S88-C411 WeakPolarHBondContact CB-O 3.49Å; F93-C411 WeakPolarHBondContact CB-SG 2.66Å; P408-C411 HydrophobicContact CB-CB 4.13Å; P408-C411 CarbonylContact O-C 3.55Å; P408-C411 PolarHBondContact O-N 3.23Å; G409-C411 VanDerWaalsContact C-N 3.26Å; G409-C411 PolarHBondContact O-N 3.14Å |
| 412 | A | 80.8 | Confident | 82.6 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -76.4 | 142.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F407 P408 G409 K414 L417 | F407-A412 HydrophobicContact CE1-CB 3.72Å; F407-A412 HydrophobicContact CZ-CB 3.85Å; P408-A412 PolarHBondContact O-N 3.01Å; G409-A412 PolarHBondContact O-N 3.37Å; A412-K414 PolarHBondContact O-N 3.41Å; A412-L417 HydrophobicContact CB-CD2 4.36Å |
| 413 | P | 71.4 | Confident | 82.5 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | trans | -60.5 | 137.9 | 175.5 | 23.5 | -30.9 | 0 | 0 | 0 | 110.5 | G415 L417 | P413-G415 PolarHBondContact O-N 3.32Å; P413-G415 VanDerWaalsContact O-N 3.14Å; P413-L417 HydrophobicContact CG-CD2 4.26Å | ||
| 414 | K | 65.1 | Low | 82.4 | Confident | 219 Ų | 219 | 42.3 Ų | 42.3 | 95% | 0.952 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73.2 | 104 | 174.7 | -66 | -177.8 | -179.4 | 178 | 0 | 108.7 | A412 | A412-K414 PolarHBondContact O-N 3.41Š|
| 415 | G | 65.4 | Low | 82.3 | Confident | 58 Ų | 58 | 41.8 Ų | 41.8 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 130.6 | -141.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P413 L417 | P413-G415 PolarHBondContact O-N 3.32Å; P413-G415 VanDerWaalsContact O-N 3.14Å; G415-L417 PolarHBondContact O-N 3.4Å |
| 416 | I | 64.4 | Low | 82.4 | Confident | 97 Ų | 97 | 40.2 Ų | 40.2 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -65.5 | 127.3 | 179.9 | -62.1 | 172.3 | 0 | 0 | 0 | 109.3 | T418 S481 N483 | I416-T418 PolarHBondContact O-N 2.78Å; I416-S481 WeakPolarHBondContact CG2-O 3.28Å; I416-N483 HydrophobicContact CG2-CB 3.65Å |
| 417 | L | 72.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 116.6 | 173.8 | -65.8 | 163.1 | 0 | 0 | 0 | 108.3 | R341 F407 A412 P413 G415 S481 N483 | R341-L417 VanDerWaalsContact NH1-CD1 3.26Å; F407-L417 HydrophobicContact CZ-CD1 4.21Å; F407-L417 HydrophobicContact CZ-CD2 3.96Å; A412-L417 HydrophobicContact CB-CD2 4.36Å; P413-L417 HydrophobicContact CG-CD2 4.26Å; G415-L417 PolarHBondContact O-N 3.4Å; L417-S481 PolarHBondContact N-O 3.12Å; L417-N483 PolarHBondContact O-N 3.46Å; L417-N483 VanDerWaalsContact O-N 3.07Å |
| 418 | T | 74.7 | Confident | 83 | Confident | 82 Ų | 82 | 35.3 Ų | 35.3 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 146.7 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | I416 N483 | I416-T418 PolarHBondContact O-N 2.78Å; T418-N483 CarbonylContact C-O 3.57Å; T418-N483 VanDerWaalsContact CA-O 3.3Å; T418-N483 WeakPolarHBondContact CA-O 3.1Å |
| 419 | G | 85.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | 68.1 | -160.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G421 G422 N483 T487 | G419-G421 PolarHBondContact O-N 3.32Å; G419-G421 VanDerWaalsContact O-N 3.14Å; G419-G422 PolarHBondContact O-N 3.03Å; G419-N483 PolarHBondContact N-O 3.01Å; G419-T487 WeakPolarHBondContact CA-OG1 3.37Å |
| 420 | A | 87.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -59 | -24.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | G422 L423 T487 I491 L521 | A420-G422 PolarHBondContact O-N 2.64Å; A420-G422 VanDerWaalsContact O-N 3.14Å; A420-L423 PolarHBondContact O-N 2.99Å; A420-T487 PolarHBondContact N-OG1 3.46Å; A420-I491 HydrophobicContact CB-CD1 4.32Å; A420-I491 HydrophobicContact CB-CG1 3.82Å; A420-L521 CarbonylContact C-O 3.51Å; A420-L521 VanDerWaalsContact C-O 3.29Å; A420-L521 HydrophobicContact CB-CD2 4.16Å |
| 421 | G | 86.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 19% | 0.186 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -56.4 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G419 L423 V424 L521 | G419-G421 PolarHBondContact O-N 3.32Å; G419-G421 VanDerWaalsContact O-N 3.14Å; G421-L423 PolarHBondContact O-N 3.14Å; G421-V424 WeakPolarHBondContact O-CB 3.33Å; G421-V424 VanDerWaalsContact O-CG2 3.32Å; G421-V424 WeakPolarHBondContact O-CG2 3.5Å; G421-V424 PolarHBondContact O-N 2.85Å; G421-L521 PolarHBondContact N-O 2.88Å |
| 422 | G | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -66.7 | -23.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G419 A420 | G419-G422 PolarHBondContact O-N 3.03Å; A420-G422 PolarHBondContact O-N 2.64Å; A420-G422 VanDerWaalsContact O-N 3.14Å |
| 423 | L | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -91 | -5.3 | 178.8 | -64.8 | 170.4 | 0 | 0 | 0 | 113.1 | A420 G421 Y426 A427 V472 F475 I482 L484 I491 L521 | A420-L423 PolarHBondContact O-N 2.99Å; G421-L423 PolarHBondContact O-N 3.14Å; L423-Y426 CarbonylContact O-C 3.42Å; L423-Y426 WeakPolarHBondContact O-CA 3.44Å; L423-Y426 WeakPolarHBondContact O-CB 3.35Å; L423-Y426 PolarHBondContact O-N 3.23Å; L423-A427 PolarHBondContact O-N 3.46Å; L423-V472 HydrophobicContact CD1-CG1 3.83Å; L423-V472 HydrophobicContact CD1-CG2 3.93Å; L423-V472 HydrophobicContact CD2-CG1 4.33Å; L423-V472 HydrophobicContact CD2-CG2 4.35Å; L423-F475 HydrophobicContact CD2-CD2 4.38Å; L423-I482 HydrophobicContact CD2-CD1 4.17Å; L423-I482 HydrophobicContact CD2-CG2 4.41Å; L423-L484 HydrophobicContact CD1-CD1 4.44Å; L423-L484 HydrophobicContact CD1-CD2 3.73Å; L423-L484 HydrophobicContact CG-CD2 3.88Å; L423-I491 HydrophobicContact CD1-CD1 3.77Å; L423-I491 HydrophobicContact CD1-CG1 4.14Å; L423-I491 HydrophobicContact CD1-CG2 4.02Å; L423-L521 HydrophobicContact CB-CD1 3.9Å; L423-L521 HydrophobicContact CB-CD2 4.42Å |
| 424 | V | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -54.5 | -46.7 | -177.4 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | P403 F407 G421 Y426 A427 F518 L521 L522 | P403-V424 WeakPolarHBondContact CB-O 3.48Å; F407-V424 HydrophobicContact CD2-CB 4.24Å; F407-V424 HydrophobicContact CD2-CG1 3.85Å; F407-V424 HydrophobicContact CE2-CB 4.2Å; F407-V424 HydrophobicContact CE2-CG1 4.26Å; G421-V424 WeakPolarHBondContact O-CB 3.33Å; G421-V424 VanDerWaalsContact O-CG2 3.32Å; G421-V424 WeakPolarHBondContact O-CG2 3.5Å; G421-V424 PolarHBondContact O-N 2.85Å; V424-Y426 PolarHBondContact O-N 3.31Å; V424-A427 WeakPolarHBondContact O-CB 3.41Å; V424-A427 PolarHBondContact O-N 2.95Å; V424-A427 VanDerWaalsContact O-N 3.15Å; V424-F518 HydrophobicContact CG1-CD2 3.26Å; V424-F518 HydrophobicContact CG1-CE2 3.18Å; V424-F518 HydrophobicContact CG1-CG 4.14Å; V424-F518 HydrophobicContact CG1-CZ 3.98Å; V424-L521 HydrophobicContact CG2-CB 3.78Å; V424-L522 HydrophobicContact CG1-CD1 4.33Å; V424-L522 HydrophobicContact CG2-CB 3.94Å; V424-L522 HydrophobicContact CG2-CD1 4.02Å |
| 425 | P | 94.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -62.9 | -22.4 | 176 | -22.3 | 34.8 | 0 | 0 | 0 | 114 | L337 F407 | L337-P425 HydrophobicContact CD2-CB 3.82Å; F407-P425 HydrophobicContact CD2-CG 3.73Å; F407-P425 HydrophobicContact CE2-CG 3.79Å; F407-P425 HydrophobicContact CG-CG 4.32Å; F407-P425 HydrophobicContact CZ-CG 4.43Å |
| 426 | Y | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -87.5 | -3.3 | -180 | -67.4 | -92.9 | 0 | 0 | 0 | 113.2 | L337 I338 L423 V424 G428 V429 L430 F475 D479 I482 | L337-Y426 HydrophobicContact CB-CD1 4.37Å; L337-Y426 HydrophobicContact CB-CE1 3.66Å; L337-Y426 HydrophobicContact CB-CE2 4.37Å; L337-Y426 HydrophobicContact CD1-CD1 3.47Å; L337-Y426 VanDerWaalsContact CD1-CD1 3.47Å; L337-Y426 HydrophobicContact CD1-CE1 3.63Å; L337-Y426 HydrophobicContact CD1-CG 3.95Å; L337-Y426 HydrophobicContact CG-CE1 4.29Å; I338-Y426 WeakPolarHBondContact CG1-OH 3.44Å; L423-Y426 CarbonylContact O-C 3.42Å; L423-Y426 WeakPolarHBondContact O-CA 3.44Å; L423-Y426 WeakPolarHBondContact O-CB 3.35Å; L423-Y426 PolarHBondContact O-N 3.23Å; V424-Y426 PolarHBondContact O-N 3.31Å; Y426-G428 PolarHBondContact O-N 3.42Å; Y426-G428 VanDerWaalsContact O-N 3.14Å; Y426-V429 WeakPolarHBondContact O-CB 3.29Å; Y426-V429 PolarHBondContact O-N 2.99Å; Y426-L430 PolarHBondContact O-N 3.15Å; Y426-F475 HydrophobicContact CD1-CD1 4.23Å; Y426-F475 AromaticContact CD1-CD2 3.62Å; Y426-F475 HydrophobicContact CD1-CD2 3.62Å; Y426-F475 HydrophobicContact CD1-CE1 4.13Å; Y426-F475 AromaticContact CD1-CE2 3.48Å; Y426-F475 HydrophobicContact CD1-CE2 3.48Å; Y426-F475 VanDerWaalsContact CD1-CE2 3.48Å; Y426-F475 HydrophobicContact CD1-CG 4.01Å; Y426-F475 AromaticContact CD1-CZ 3.77Å; Y426-F475 HydrophobicContact CD1-CZ 3.77Å; Y426-F475 AromaticContact CE1-CD1 3.97Å; Y426-F475 HydrophobicContact CE1-CD1 3.97Å; Y426-F475 HydrophobicContact CE1-CD2 4.08Å; Y426-F475 HydrophobicContact CE1-CE1 4.12Å; Y426-F475 HydrophobicContact CE1-CE2 4.2Å; Y426-F475 AromaticContact CE1-CG 3.98Å; Y426-F475 HydrophobicContact CE1-CG 3.98Å; Y426-F475 HydrophobicContact CE1-CZ 4.24Å; Y426-F475 HydrophobicContact CG-CD2 4.01Å; Y426-F475 HydrophobicContact CG-CE2 4.06Å; Y426-D479 PolarHBondContact OH-OD2 2.92Å; Y426-I482 HydrophobicContact CD2-CD1 4.13Å; Y426-I482 HydrophobicContact CE2-CD1 3.57Å |
| 427 | A | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55 | -37.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P403 L423 V424 A431 L517 F518 L521 | P403-A427 HydrophobicContact CB-CB 4.06Å; P403-A427 HydrophobicContact CG-CB 3.95Å; L423-A427 PolarHBondContact O-N 3.46Å; V424-A427 WeakPolarHBondContact O-CB 3.41Å; V424-A427 PolarHBondContact O-N 2.95Å; V424-A427 VanDerWaalsContact O-N 3.15Å; A427-A431 VanDerWaalsContact O-CB 3.26Å; A427-A431 WeakPolarHBondContact O-CB 3.35Å; A427-A431 PolarHBondContact O-N 2.89Å; A427-L517 HydrophobicContact CB-CB 4.16Å; A427-L517 HydrophobicContact CB-CD2 4.32Å; A427-L517 HydrophobicContact CB-CG 4.11Å; A427-F518 HydrophobicContact CB-CB 4.13Å; A427-L521 HydrophobicContact CB-CD1 4.34Å |
| 428 | G | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.5 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G399 M400 Y426 L430 V432 G433 | G399-G428 VanDerWaalsContact O-CA 3.29Å; G399-G428 WeakPolarHBondContact O-CA 3.33Å; M400-G428 VanDerWaalsContact SD-C 3.52Å; Y426-G428 PolarHBondContact O-N 3.42Å; Y426-G428 VanDerWaalsContact O-N 3.14Å; G428-L430 VanDerWaalsContact C-N 3.35Å; G428-L430 PolarHBondContact O-N 3.25Å; G428-V432 WeakPolarHBondContact O-CB 3.43Å; G428-V432 PolarHBondContact O-N 3.37Å; G428-G433 PolarHBondContact O-N 3.36Å |
| 429 | V | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -60.6 | -45 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | V330 V334 L337 M400 Y426 G433 V434 F475 | V330-V429 HydrophobicContact CG1-CG1 4.25Å; V330-V429 HydrophobicContact CG2-CG1 4.36Å; V334-V429 HydrophobicContact CG2-CG1 3.74Å; L337-V429 HydrophobicContact CD1-CG2 3.71Å; M400-V429 HydrophobicContact CE-CB 4.1Å; M400-V429 HydrophobicContact CE-CG2 3.5Å; Y426-V429 WeakPolarHBondContact O-CB 3.29Å; Y426-V429 PolarHBondContact O-N 2.99Å; V429-G433 CarbonylContact O-C 3.58Å; V429-G433 WeakPolarHBondContact O-CA 3.47Å; V429-G433 PolarHBondContact O-N 3.43Å; V429-G433 VanDerWaalsContact O-N 3.16Å; V429-V434 HydrophobicContact CG1-CG2 4.41Å; V429-V434 PolarHBondContact O-N 2.83Å; V429-F475 HydrophobicContact CG1-CE2 4.46Å; V429-F475 HydrophobicContact CG1-CZ 3.82Å |
| 430 | L | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -68 | -53.9 | -179.1 | -71.4 | 172.4 | 0 | 0 | 0 | 111.6 | Y426 G428 G435 Q468 A471 V472 F475 L517 | Y426-L430 PolarHBondContact O-N 3.15Å; G428-L430 VanDerWaalsContact C-N 3.35Å; G428-L430 PolarHBondContact O-N 3.25Å; L430-G435 WeakPolarHBondContact O-CA 3.21Å; L430-G435 PolarHBondContact O-N 3.25Å; L430-Q468 HydrophobicContact CD2-CB 4.39Å; L430-Q468 VanDerWaalsContact O-CD 3.26Å; L430-Q468 VanDerWaalsContact O-CG 3.29Å; L430-Q468 WeakPolarHBondContact O-CG 3.32Å; L430-Q468 PolarHBondContact O-OE1 2.65Å; L430-A471 HydrophobicContact CD2-CB 3.81Å; L430-V472 HydrophobicContact CD1-CG2 3.98Å; L430-V472 HydrophobicContact CD2-CG2 3.91Å; L430-F475 HydrophobicContact CD2-CD2 4.47Å; L430-F475 HydrophobicContact CD2-CE2 3.78Å; L430-F475 HydrophobicContact CG-CE2 4.15Å; L430-L517 HydrophobicContact CB-CD2 3.7Å; L430-L517 HydrophobicContact CD1-CD2 4.39Å |
| 431 | A | 96.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 3% | 0.025 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -71.9 | -49.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A427 D436 V498 L513 P514 L517 | A427-A431 VanDerWaalsContact O-CB 3.26Å; A427-A431 WeakPolarHBondContact O-CB 3.35Å; A427-A431 PolarHBondContact O-N 2.89Å; A431-D436 PolarHBondContact O-N 2.8Å; A431-V498 HydrophobicContact CB-CG1 4.3Å; A431-L513 HydrophobicContact CB-CB 3.95Å; A431-P514 HydrophobicContact CB-CG 4.42Å; A431-L517 HydrophobicContact CB-CB 4.43Å; A431-L517 HydrophobicContact CB-CD2 3.95Å |
| 432 | V | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -96.9 | -47.4 | -172.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L396 M400 G428 N510 P514 | L396-V432 HydrophobicContact CD1-CG1 3.53Å; M400-V432 HydrophobicContact SD-CB 4.39Å; M400-V432 HydrophobicContact SD-CG1 4.47Å; G428-V432 WeakPolarHBondContact O-CB 3.43Å; G428-V432 PolarHBondContact O-N 3.37Å; V432-N510 VanDerWaalsContact CG1-OD1 3.28Å; V432-N510 WeakPolarHBondContact CG1-OD1 3.42Å; V432-P514 HydrophobicContact CB-CG 4.35Å; V432-P514 HydrophobicContact CG2-CG 3.34Å |
| 433 | G | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -63.2 | -53.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | G428 V429 T437 | G428-G433 PolarHBondContact O-N 3.36Å; V429-G433 CarbonylContact O-C 3.58Å; V429-G433 WeakPolarHBondContact O-CA 3.47Å; V429-G433 PolarHBondContact O-N 3.43Å; V429-G433 VanDerWaalsContact O-N 3.16Å; G433-T437 WeakPolarHBondContact O-CB 3.45Å; G433-T437 PolarHBondContact O-OG1 3.39Å |
| 434 | V | 96.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 15.6 Ų | 15.6 | 15% | 0.152 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -94.7 | -56.8 | -175.6 | 178.5 | 0 | 0 | 0 | 0 | 111 | V429 T437 V438 A467 Q468 A471 | V429-V434 HydrophobicContact CG1-CG2 4.41Å; V429-V434 PolarHBondContact O-N 2.83Å; V434-T437 PolarHBondContact O-N 3.16Å; V434-V438 WeakPolarHBondContact O-CB 3.42Å; V434-V438 WeakPolarHBondContact O-CG2 3.47Å; V434-V438 PolarHBondContact O-N 2.84Å; V434-A467 HydrophobicContact CG1-CB 3.85Å; V434-Q468 HydrophobicContact CB-CG 4.42Å; V434-Q468 HydrophobicContact CG1-CG 4.2Å; V434-A471 HydrophobicContact CG1-CB 4.26Å; V434-A471 HydrophobicContact CG2-CB 4.11Å |
| 435 | G | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -60.1 | -62.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L430 T437 V438 A439 S464 | L430-G435 WeakPolarHBondContact O-CA 3.21Å; L430-G435 PolarHBondContact O-N 3.25Å; G435-T437 VanDerWaalsContact C-N 3.28Å; G435-T437 PolarHBondContact O-N 2.83Å; G435-V438 PolarHBondContact O-N 3.05Å; G435-A439 VanDerWaalsContact O-CB 3.31Å; G435-A439 WeakPolarHBondContact O-CB 3.46Å; G435-A439 PolarHBondContact O-N 3.03Å; G435-S464 WeakPolarHBondContact CA-OG 3.35Å; G435-S464 WeakPolarHBondContact O-CB 3.38Å; G435-S464 PolarHBondContact O-OG 3.27Å |
| 436 | D | 92.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -60.7 | -35.1 | 178.8 | 168.3 | 52.1 | 0 | 0 | 0 | 112.4 | K323 H326 A431 S440 | K323-D436 PolarHBondContact NZ-O 2.91Å; K323-D436 IonicContact NZ-OD1 2.66Å; K323-D436 PolarHBondContact NZ-OD1 3.43Å; K323-D436 IonicContact NZ-OD2 2.59Å; K323-D436 PolarHBondContact NZ-OD2 3.14Å; H326-D436 IonicContact CD2-OD2 3.51Å; H326-D436 IonicContact NE2-OD2 3.01Å; A431-D436 PolarHBondContact O-N 2.8Å; D436-S440 VanDerWaalsContact O-CB 3.29Å; D436-S440 WeakPolarHBondContact O-CB 3.38Å; D436-S440 PolarHBondContact O-N 3.44Å; D436-S440 VanDerWaalsContact O-N 3.08Å; D436-S440 PolarHBondContact O-OG 3.01Å |
| 437 | T | 92.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -54.9 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | K323 H326 L327 G433 V434 G435 S440 V441 | K323-T437 HydrophobicContact CB-CG2 4.1Å; K323-T437 HydrophobicContact CD-CG2 4.4Å; K323-T437 HydrophobicContact CG-CG2 4.38Å; H326-T437 WeakPolarHBondContact CB-OG1 3.32Å; L327-T437 HydrophobicContact CD2-CG2 4.18Å; L327-T437 HydrophobicContact CG-CG2 4.49Å; G433-T437 WeakPolarHBondContact O-CB 3.45Å; G433-T437 PolarHBondContact O-OG1 3.39Å; V434-T437 PolarHBondContact O-N 3.16Å; G435-T437 VanDerWaalsContact C-N 3.28Å; G435-T437 PolarHBondContact O-N 2.83Å; T437-S440 PolarHBondContact O-N 3.1Å; T437-S440 PolarHBondContact O-OG 3.41Å; T437-V441 WeakPolarHBondContact O-CG2 3.3Å; T437-V441 PolarHBondContact O-N 2.86Å |
| 438 | V | 93.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | -178.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V434 G435 S440 V441 F442 A467 | V434-V438 WeakPolarHBondContact O-CB 3.42Å; V434-V438 WeakPolarHBondContact O-CG2 3.47Å; V434-V438 PolarHBondContact O-N 2.84Å; G435-V438 PolarHBondContact O-N 3.05Å; V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.31Å; V438-V441 PolarHBondContact O-N 2.96Å; V438-F442 HydrophobicContact CB-CD2 4.44Å; V438-F442 HydrophobicContact CG1-CD2 3.6Å; V438-F442 HydrophobicContact CG1-CE2 4.04Å; V438-F442 HydrophobicContact CG1-CG 4.49Å; V438-F442 WeakPolarHBondContact O-CB 3.48Å; V438-F442 WeakPolarHBondContact O-CD2 3.5Å; V438-F442 PolarHBondContact O-N 2.98Å; V438-A467 HydrophobicContact CB-CB 4.02Å; V438-A467 HydrophobicContact CG1-CB 3.83Å; V438-A467 HydrophobicContact CG2-CB 3.71Å |
| 439 | A | 92.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | G435 G443 G460 | G435-A439 VanDerWaalsContact O-CB 3.31Å; G435-A439 WeakPolarHBondContact O-CB 3.46Å; G435-A439 PolarHBondContact O-N 3.03Å; A439-G443 WeakPolarHBondContact O-CA 3.49Å; A439-G443 PolarHBondContact O-N 3.39Å; A439-G460 WeakPolarHBondContact CA-O 3.24Å |
| 440 | S | 89.1 | Confident | 91.9 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.8 | -39 | -178 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | K323 D436 T437 V438 S444 | K323-S440 WeakPolarHBondContact CE-OG 3.48Å; K323-S440 PolarHBondContact NZ-OG 3.22Å; K323-S440 VanDerWaalsContact NZ-OG 3.09Å; D436-S440 VanDerWaalsContact O-CB 3.29Å; D436-S440 WeakPolarHBondContact O-CB 3.38Å; D436-S440 PolarHBondContact O-N 3.44Å; D436-S440 VanDerWaalsContact O-N 3.08Å; D436-S440 PolarHBondContact O-OG 3.01Å; T437-S440 PolarHBondContact O-N 3.1Å; T437-S440 PolarHBondContact O-OG 3.41Å; V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.31Å; S440-S444 VanDerWaalsContact O-CB 3.24Å; S440-S444 WeakPolarHBondContact O-CB 3.26Å; S440-S444 PolarHBondContact O-N 3.45Å; S440-S444 PolarHBondContact O-OG 3.09Å |
| 441 | V | 89.9 | Confident | 91.7 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.3 | -53.4 | -178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | K323 T437 V438 S444 T445 | K323-V441 HydrophobicContact CG-CG2 4.34Å; T437-V441 WeakPolarHBondContact O-CG2 3.3Å; T437-V441 PolarHBondContact O-N 2.86Å; V438-V441 PolarHBondContact O-N 2.96Å; V441-S444 PolarHBondContact O-OG 3.36Å; V441-T445 WeakPolarHBondContact O-CB 3.47Å; V441-T445 WeakPolarHBondContact O-CG2 3.28Å; V441-T445 PolarHBondContact O-N 3.12Å; V441-T445 PolarHBondContact O-OG1 3.31Å |
| 442 | F | 89.9 | Confident | 91.4 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.5 | -37.9 | -179.7 | -75 | -88.4 | 0 | 0 | 0 | 111.8 | V438 S444 T445 M446 G447 T463 | V438-F442 HydrophobicContact CB-CD2 4.44Å; V438-F442 HydrophobicContact CG1-CD2 3.6Å; V438-F442 HydrophobicContact CG1-CE2 4.04Å; V438-F442 HydrophobicContact CG1-CG 4.49Å; V438-F442 WeakPolarHBondContact O-CB 3.48Å; V438-F442 WeakPolarHBondContact O-CD2 3.5Å; V438-F442 PolarHBondContact O-N 2.98Å; F442-S444 VanDerWaalsContact C-N 3.28Å; F442-S444 PolarHBondContact O-N 3.29Å; F442-T445 WeakPolarHBondContact CA-OG1 3.47Å; F442-T445 PolarHBondContact O-N 3.33Å; F442-T445 PolarHBondContact O-OG1 3Å; F442-M446 HydrophobicContact CD1-CE 4.28Å; F442-M446 HydrophobicContact CD1-SD 3.78Å; F442-M446 HydrophobicContact CE1-CE 4.18Å; F442-M446 HydrophobicContact CE1-SD 4.17Å; F442-M446 PolarHBondContact O-N 3.25Å; F442-G447 PolarHBondContact O-N 2.86Å; F442-T463 HydrophobicContact CB-CG2 4.29Å; F442-T463 HydrophobicContact CG-CG2 4.48Å |
| 443 | G | 88.3 | Confident | 91 | Very high | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -28 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | A439 G447 T457 | A439-G443 WeakPolarHBondContact O-CA 3.49Å; A439-G443 PolarHBondContact O-N 3.39Å; G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 3.4Å; G443-T457 WeakPolarHBondContact CA-OG1 3.3Å; G443-T457 PolarHBondContact O-OG1 2.84Å |
| 444 | S | 86.7 | Confident | 90.7 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -87.1 | -22.3 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | S440 V441 F442 | S440-S444 VanDerWaalsContact O-CB 3.24Å; S440-S444 WeakPolarHBondContact O-CB 3.26Å; S440-S444 PolarHBondContact O-N 3.45Å; S440-S444 PolarHBondContact O-OG 3.09Å; V441-S444 PolarHBondContact O-OG 3.36Å; F442-S444 VanDerWaalsContact C-N 3.28Å; F442-S444 PolarHBondContact O-N 3.29Å |
| 445 | T | 87.1 | Confident | 90.3 | Very high | 97 Ų | 97 | 67.6 Ų | 67.6 | 60% | 0.595 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -99.5 | -38.9 | -176.8 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | V441 F442 | V441-T445 WeakPolarHBondContact O-CB 3.47Å; V441-T445 WeakPolarHBondContact O-CG2 3.28Å; V441-T445 PolarHBondContact O-N 3.12Å; V441-T445 PolarHBondContact O-OG1 3.31Å; F442-T445 WeakPolarHBondContact CA-OG1 3.47Å; F442-T445 PolarHBondContact O-N 3.33Å; F442-T445 PolarHBondContact O-OG1 3Å |
| 446 | M | 87.5 | Confident | 90.1 | Very high | 127 Ų | 127 | 70.7 Ų | 70.7 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | -3.1 | -174 | -59.3 | -175 | 179.7 | 0 | 0 | 113.3 | F442 E448 | F442-M446 HydrophobicContact CD1-CE 4.28Å; F442-M446 HydrophobicContact CD1-SD 3.78Å; F442-M446 HydrophobicContact CE1-CE 4.18Å; F442-M446 HydrophobicContact CE1-SD 4.17Å; F442-M446 PolarHBondContact O-N 3.25Å; M446-E448 PolarHBondContact O-N 3.15Å |
| 447 | G | 87.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 70.9 Ų | 70.9 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | trans | -78.4 | 119.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F442 G443 | F442-G447 PolarHBondContact O-N 2.86Å; G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 3.4Å | ||
| 448 | E | 91.4 | Very high | 90.3 | Very high | 172 Ų | 172 | 73.9 Ų | 73.9 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | trans | -106.7 | -44.8 | 177.7 | -63.6 | -173.1 | 174.4 | 0 | 0 | 110.9 | M446 E459 | M446-E448 PolarHBondContact O-N 3.15Å; E448-E459 PolarHBondContact N-OE1 3.48Å; E448-E459 PolarHBondContact N-OE2 3.49Å | ||
| 449 | I | 93 | Very high | 90.4 | Very high | 102 Ų | 102 | 74.7 Ų | 74.7 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -91.1 | 110.7 | -174.4 | -57.4 | 172.3 | 0 | 0 | 0 | 109.8 | T457 L458 E459 | I449-T457 CarbonylContact O-C 3.5Å; I449-T457 VanDerWaalsContact O-CA 3.25Å; I449-T457 WeakPolarHBondContact O-CA 3.39Å; I449-L458 HydrophobicContact CB-CB 4.39Å; I449-L458 HydrophobicContact CG2-CB 4.32Å; I449-L458 PolarHBondContact O-N 3.19Å; I449-E459 WeakPolarHBondContact CB-OE1 3.49Å; I449-E459 WeakPolarHBondContact CG1-OE1 3.38Å; I449-E459 PolarHBondContact N-OE1 2.99Å; I449-E459 PolarHBondContact N-OE2 2.98Å |
| 450 | R | 92.6 | Very high | 90.5 | Very high | 178 Ų | 178 | 74.5 Ų | 74.5 | 67% | 0.672 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -84.3 | 142.3 | 177.2 | -66 | 179.8 | -174.8 | 162.2 | 4 | 112.2 | K456 T457 | R450-K456 WeakPolarHBondContact CA-O 3.44Å; R450-T457 HydrophobicContact CG-CG2 3.99Å |
| 451 | W | 93.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 138.4 | 168.5 | -73.6 | 110.1 | 0 | 0 | 0 | 110.4 | G453 T454 K456 L458 T461 L500 A503 Y504 | W451-G453 PolarHBondContact O-N 2.82Å; W451-G453 VanDerWaalsContact O-N 3.16Å; W451-T454 WeakPolarHBondContact CB-OG1 3.46Å; W451-T454 PolarHBondContact O-N 2.91Å; W451-T454 VanDerWaalsContact O-N 3.12Å; W451-K456 PolarHBondContact N-O 3.06Å; W451-L458 HydrophobicContact CH2-CD1 4Å; W451-L458 HydrophobicContact CH2-CG 4.28Å; W451-L458 HydrophobicContact CZ2-CB 4.25Å; W451-L458 HydrophobicContact CZ2-CD1 4.16Å; W451-L458 HydrophobicContact CZ2-CG 3.95Å; W451-L458 HydrophobicContact CZ3-CD1 4.39Å; W451-T461 HydrophobicContact CZ2-CG2 4.4Å; W451-T461 PolarHBondContact NE1-OG1 3.31Å; W451-L500 HydrophobicContact CH2-CD1 4.2Å; W451-L500 HydrophobicContact CZ2-CD1 4.25Å; W451-A503 HydrophobicContact CG-CB 4.21Å; W451-Y504 HydrophobicContact CB-CE1 4.47Å; W451-Y504 HydrophobicContact CB-CE2 4.48Å; W451-Y504 HydrophobicContact CD2-CE2 4.17Å; W451-Y504 HydrophobicContact CE3-CE2 4.11Å; W451-Y504 VanDerWaalsContact CE3-OH 3.3Å; W451-Y504 HydrophobicContact CG-CE2 4.36Å |
| 452 | P | 90.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 74 Ų | 74 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 122 | -179.6 | -28.7 | 35.7 | 0 | 0 | 0 | 112.7 | V3 T454 | V3-P452 HydrophobicContact CB-CB 3.73Å; V3-P452 HydrophobicContact CG1-CB 4.35Å; V3-P452 HydrophobicContact CG2-CB 3.83Å; P452-T454 VanDerWaalsContact C-N 3.33Å |
| 453 | G | 85.7 | Confident | 91.4 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 2.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W451 | W451-G453 PolarHBondContact O-N 2.82Å; W451-G453 VanDerWaalsContact O-N 3.16Å |
| 454 | T | 88.1 | Confident | 91.8 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -125.3 | 167.2 | 178.6 | 87.9 | 0 | 0 | 0 | 0 | 111.7 | P5 W451 P452 K456 A503 Y504 | P5-T454 HydrophobicContact CB-CG2 3.68Å; W451-T454 WeakPolarHBondContact CB-OG1 3.46Å; W451-T454 PolarHBondContact O-N 2.91Å; W451-T454 VanDerWaalsContact O-N 3.12Å; P452-T454 VanDerWaalsContact C-N 3.33Å; T454-K456 VanDerWaalsContact C-N 3.33Å; T454-K456 PolarHBondContact OG1-N 2.85Å; T454-K456 VanDerWaalsContact OG1-N 3.16Å; T454-A503 WeakPolarHBondContact CB-O 3.38Å; T454-A503 WeakPolarHBondContact CG2-O 3.2Å; T454-A503 PolarHBondContact OG1-O 3.04Å; T454-Y504 HydrophobicContact CG2-CD1 3.57Å; T454-Y504 HydrophobicContact CG2-CE1 3.87Å; T454-Y504 HydrophobicContact CG2-CG 4.34Å |
| 455 | R | 87.8 | Confident | 92.3 | Very high | 219 Ų | 219 | 69 Ų | 69 | 83% | 0.826 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -88.5 | -5 | 172.6 | -64 | -178.7 | -178.9 | 169.5 | 1.2 | 112.3 | ||
| 456 | K | 91 | Very high | 92.8 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | trans | -83 | 152.9 | -176.2 | -57.6 | -74.2 | -172.3 | 156.9 | 0 | 109.5 | R450 W451 T454 E502 | R450-K456 WeakPolarHBondContact CA-O 3.44Å; W451-K456 PolarHBondContact N-O 3.06Å; T454-K456 VanDerWaalsContact C-N 3.33Å; T454-K456 PolarHBondContact OG1-N 2.85Å; T454-K456 VanDerWaalsContact OG1-N 3.16Å; K456-E502 WeakPolarHBondContact CE-OE1 3.28Å; K456-E502 IonicContact NZ-OE1 2.66Å; K456-E502 PolarHBondContact NZ-OE1 3.01Å | ||
| 457 | T | 94.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -111.9 | 148 | -174 | 53 | 0 | 0 | 0 | 0 | 111.4 | G443 I449 R450 E459 G460 T461 | G443-T457 WeakPolarHBondContact CA-OG1 3.3Å; G443-T457 PolarHBondContact O-OG1 2.84Å; I449-T457 CarbonylContact O-C 3.5Å; I449-T457 VanDerWaalsContact O-CA 3.25Å; I449-T457 WeakPolarHBondContact O-CA 3.39Å; R450-T457 HydrophobicContact CG-CG2 3.99Å; T457-E459 VanDerWaalsContact C-N 3.28Å; T457-E459 WeakPolarHBondContact CB-OE2 3.46Å; T457-E459 PolarHBondContact O-N 3.25Å; T457-G460 PolarHBondContact O-N 3.26Å; T457-G460 PolarHBondContact OG1-N 3.25Å; T457-T461 PolarHBondContact O-N 3.16Å; T457-T461 VanDerWaalsContact O-N 3.08Å; T457-T461 PolarHBondContact O-OG1 2.95Å |
| 458 | L | 95.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.2 | -175.7 | 150.6 | 0 | 0 | 0 | 110.3 | I449 W451 G460 T461 A462 | I449-L458 HydrophobicContact CB-CB 4.39Å; I449-L458 HydrophobicContact CG2-CB 4.32Å; I449-L458 PolarHBondContact O-N 3.19Å; W451-L458 HydrophobicContact CH2-CD1 4Å; W451-L458 HydrophobicContact CH2-CG 4.28Å; W451-L458 HydrophobicContact CZ2-CB 4.25Å; W451-L458 HydrophobicContact CZ2-CD1 4.16Å; W451-L458 HydrophobicContact CZ2-CG 3.95Å; W451-L458 HydrophobicContact CZ3-CD1 4.39Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 3.43Å; L458-T461 PolarHBondContact O-N 3.03Å; L458-A462 WeakPolarHBondContact O-CB 3.44Å; L458-A462 PolarHBondContact O-N 2.92Å |
| 459 | E | 96.1 | Very high | 94 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176 | -56.1 | 84.6 | 169.9 | 0 | 0 | 111.2 | E448 I449 T457 A462 T463 | E448-E459 PolarHBondContact N-OE1 3.48Å; E448-E459 PolarHBondContact N-OE2 3.49Å; I449-E459 WeakPolarHBondContact CB-OE1 3.49Å; I449-E459 WeakPolarHBondContact CG1-OE1 3.38Å; I449-E459 PolarHBondContact N-OE1 2.99Å; I449-E459 PolarHBondContact N-OE2 2.98Å; T457-E459 VanDerWaalsContact C-N 3.28Å; T457-E459 WeakPolarHBondContact CB-OE2 3.46Å; T457-E459 PolarHBondContact O-N 3.25Å; E459-A462 PolarHBondContact O-N 3.41Å; E459-T463 WeakPolarHBondContact O-CB 3.38Å; E459-T463 VanDerWaalsContact O-CG2 3.3Å; E459-T463 WeakPolarHBondContact O-CG2 3.41Å; E459-T463 PolarHBondContact O-N 3.3Å; E459-T463 PolarHBondContact O-OG1 3.5Å |
| 460 | G | 94.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | A439 T457 L458 T463 S464 | A439-G460 WeakPolarHBondContact CA-O 3.24Å; T457-G460 PolarHBondContact O-N 3.26Å; T457-G460 PolarHBondContact OG1-N 3.25Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 3.43Å; G460-T463 PolarHBondContact O-OG1 3.04Å; G460-T463 VanDerWaalsContact O-OG1 3.04Å; G460-S464 WeakPolarHBondContact O-CB 3.3Å; G460-S464 PolarHBondContact O-N 2.94Å |
| 461 | T | 95.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | W451 T457 L458 S464 V465 A499 | W451-T461 HydrophobicContact CZ2-CG2 4.4Å; W451-T461 PolarHBondContact NE1-OG1 3.31Å; T457-T461 PolarHBondContact O-N 3.16Å; T457-T461 VanDerWaalsContact O-N 3.08Å; T457-T461 PolarHBondContact O-OG1 2.95Å; L458-T461 PolarHBondContact O-N 3.03Å; T461-S464 WeakPolarHBondContact O-CB 3.49Å; T461-S464 PolarHBondContact O-N 3.23Å; T461-V465 WeakPolarHBondContact O-CG2 3.5Å; T461-V465 PolarHBondContact O-N 3.1Å; T461-A499 HydrophobicContact CG2-CB 3.92Å |
| 462 | A | 96.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L458 E459 S464 V465 F466 | L458-A462 WeakPolarHBondContact O-CB 3.44Å; L458-A462 PolarHBondContact O-N 2.92Å; E459-A462 PolarHBondContact O-N 3.41Å; A462-S464 VanDerWaalsContact C-N 3.33Å; A462-S464 PolarHBondContact O-N 2.87Å; A462-V465 PolarHBondContact O-N 3.5Å; A462-F466 PolarHBondContact O-N 2.89Å |
| 463 | T | 95.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | F442 E459 G460 F466 A467 | F442-T463 HydrophobicContact CB-CG2 4.29Å; F442-T463 HydrophobicContact CG-CG2 4.48Å; E459-T463 WeakPolarHBondContact O-CB 3.38Å; E459-T463 VanDerWaalsContact O-CG2 3.3Å; E459-T463 WeakPolarHBondContact O-CG2 3.41Å; E459-T463 PolarHBondContact O-N 3.3Å; E459-T463 PolarHBondContact O-OG1 3.5Å; G460-T463 PolarHBondContact O-OG1 3.04Å; G460-T463 VanDerWaalsContact O-OG1 3.04Å; T463-F466 PolarHBondContact O-N 3.41Å; T463-A467 WeakPolarHBondContact O-CB 3.27Å; T463-A467 PolarHBondContact O-N 3.3Å |
| 464 | S | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 172 | 167.9 | 0 | 0 | 0 | 0 | 112.9 | G435 G460 T461 A462 F466 A467 Q468 | G435-S464 WeakPolarHBondContact CA-OG 3.35Å; G435-S464 WeakPolarHBondContact O-CB 3.38Å; G435-S464 PolarHBondContact O-OG 3.27Å; G460-S464 WeakPolarHBondContact O-CB 3.3Å; G460-S464 PolarHBondContact O-N 2.94Å; T461-S464 WeakPolarHBondContact O-CB 3.49Å; T461-S464 PolarHBondContact O-N 3.23Å; A462-S464 VanDerWaalsContact C-N 3.33Å; A462-S464 PolarHBondContact O-N 2.87Å; S464-F466 VanDerWaalsContact C-N 3.34Å; S464-F466 PolarHBondContact O-N 3.11Å; S464-A467 PolarHBondContact O-N 3.5Å; S464-Q468 WeakPolarHBondContact O-CB 3.31Å; S464-Q468 WeakPolarHBondContact O-CG 3.41Å; S464-Q468 PolarHBondContact O-N 3.37Å; S464-Q468 PolarHBondContact O-NE2 2.94Å; S464-Q468 PolarHBondContact OG-NE2 2.89Å; S464-Q468 VanDerWaalsContact OG-NE2 3.11Å |
| 465 | V | 97.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 13% | 0.127 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | T461 A462 A467 Q468 I469 I495 A499 | T461-V465 WeakPolarHBondContact O-CG2 3.5Å; T461-V465 PolarHBondContact O-N 3.1Å; A462-V465 PolarHBondContact O-N 3.5Å; V465-A467 PolarHBondContact O-N 2.89Å; V465-Q468 PolarHBondContact O-N 3.49Å; V465-I469 HydrophobicContact CG1-CD1 3.91Å; V465-I469 WeakPolarHBondContact O-CG1 3.45Å; V465-I469 PolarHBondContact O-N 2.93Å; V465-I495 HydrophobicContact CB-CG2 4.34Å; V465-I495 HydrophobicContact CG1-CG2 4.12Å; V465-I495 HydrophobicContact CG2-CG2 4.28Å; V465-A499 HydrophobicContact CG2-CB 3.57Å |
| 466 | F | 97.3 | Very high | 95.6 | Very high | 136 Ų | 136 | 40.5 Ų | 40.5 | 60% | 0.596 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.4 | -45.6 | 179 | -176 | -109.1 | 0 | 0 | 0 | 112.6 | A462 T463 S464 Q468 I469 I470 | A462-F466 PolarHBondContact O-N 2.89Å; T463-F466 PolarHBondContact O-N 3.41Å; S464-F466 VanDerWaalsContact C-N 3.34Å; S464-F466 PolarHBondContact O-N 3.11Å; F466-Q468 PolarHBondContact O-N 3.34Å; F466-I469 PolarHBondContact O-N 3.4Å; F466-I470 HydrophobicContact CD1-CD1 3.75Å; F466-I470 HydrophobicContact CE1-CD1 3.31Å; F466-I470 HydrophobicContact CE1-CG1 4.37Å; F466-I470 HydrophobicContact CE2-CD1 4.43Å; F466-I470 HydrophobicContact CG-CD1 4.49Å; F466-I470 HydrophobicContact CZ-CD1 3.7Å; F466-I470 HydrophobicContact CZ-CG1 4.42Å; F466-I470 WeakPolarHBondContact O-CG1 3.39Å; F466-I470 PolarHBondContact O-N 3.15Å |
| 467 | A | 97.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V434 V438 T463 S464 V465 I470 A471 | V434-A467 HydrophobicContact CG1-CB 3.85Å; V438-A467 HydrophobicContact CB-CB 4.02Å; V438-A467 HydrophobicContact CG1-CB 3.83Å; V438-A467 HydrophobicContact CG2-CB 3.71Å; T463-A467 WeakPolarHBondContact O-CB 3.27Å; T463-A467 PolarHBondContact O-N 3.3Å; S464-A467 PolarHBondContact O-N 3.5Å; V465-A467 PolarHBondContact O-N 2.89Å; A467-I470 PolarHBondContact O-N 3.11Å; A467-A471 WeakPolarHBondContact O-CB 3.31Å; A467-A471 PolarHBondContact O-N 3.49Å |
| 468 | Q | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 174.6 | -73.6 | 179.1 | 75 | 0 | 0 | 111.8 | L430 V434 S464 V465 F466 A471 V472 I495 | L430-Q468 HydrophobicContact CD2-CB 4.39Å; L430-Q468 VanDerWaalsContact O-CD 3.26Å; L430-Q468 VanDerWaalsContact O-CG 3.29Å; L430-Q468 WeakPolarHBondContact O-CG 3.32Å; L430-Q468 PolarHBondContact O-OE1 2.65Å; V434-Q468 HydrophobicContact CB-CG 4.42Å; V434-Q468 HydrophobicContact CG1-CG 4.2Å; S464-Q468 WeakPolarHBondContact O-CB 3.31Å; S464-Q468 WeakPolarHBondContact O-CG 3.41Å; S464-Q468 PolarHBondContact O-N 3.37Å; S464-Q468 PolarHBondContact O-NE2 2.94Å; S464-Q468 PolarHBondContact OG-NE2 2.89Å; S464-Q468 VanDerWaalsContact OG-NE2 3.11Å; V465-Q468 PolarHBondContact O-N 3.49Å; F466-Q468 PolarHBondContact O-N 3.34Å; Q468-A471 PolarHBondContact O-N 3.25Å; Q468-V472 WeakPolarHBondContact O-CG2 3.45Å; Q468-V472 PolarHBondContact O-N 2.89Å; Q468-I495 HydrophobicContact CB-CD1 4.06Å; Q468-I495 HydrophobicContact CB-CG1 4.44Å; Q468-I495 HydrophobicContact CB-CG2 3.74Å; Q468-I495 HydrophobicContact CG-CG2 4.36Å |
| 469 | I | 96.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 174 | -67.3 | 166.2 | 0 | 0 | 0 | 110.9 | V465 F466 V472 A473 V492 | V465-I469 HydrophobicContact CG1-CD1 3.91Å; V465-I469 WeakPolarHBondContact O-CG1 3.45Å; V465-I469 PolarHBondContact O-N 2.93Å; F466-I469 PolarHBondContact O-N 3.4Å; I469-V472 PolarHBondContact O-N 3.3Å; I469-A473 PolarHBondContact O-N 3.21Å; I469-V492 HydrophobicContact CD1-CG1 4.42Å; I469-V492 HydrophobicContact CD1-CG2 4.11Å; I469-V492 HydrophobicContact CG1-CG2 4.37Å |
| 470 | I | 96.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 47 Ų | 47 | 42% | 0.415 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.8 | -68.3 | 170.1 | 0 | 0 | 0 | 110.7 | F466 A467 V472 A473 M474 | F466-I470 HydrophobicContact CD1-CD1 3.75Å; F466-I470 HydrophobicContact CE1-CD1 3.31Å; F466-I470 HydrophobicContact CE1-CG1 4.37Å; F466-I470 HydrophobicContact CE2-CD1 4.43Å; F466-I470 HydrophobicContact CG-CD1 4.49Å; F466-I470 HydrophobicContact CZ-CD1 3.7Å; F466-I470 HydrophobicContact CZ-CG1 4.42Å; F466-I470 WeakPolarHBondContact O-CG1 3.39Å; F466-I470 PolarHBondContact O-N 3.15Å; A467-I470 PolarHBondContact O-N 3.11Å; I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 PolarHBondContact O-N 3.45Å; I470-A473 WeakPolarHBondContact O-CB 3.24Å; I470-A473 PolarHBondContact O-N 2.89Å; I470-A473 VanDerWaalsContact O-N 3.14Å; I470-M474 HydrophobicContact CG2-CG 4.37Å; I470-M474 WeakPolarHBondContact O-CG 3.36Å; I470-M474 PolarHBondContact O-N 3.33Å |
| 471 | A | 96.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L430 V434 A467 Q468 M474 F475 | L430-A471 HydrophobicContact CD2-CB 3.81Å; V434-A471 HydrophobicContact CG1-CB 4.26Å; V434-A471 HydrophobicContact CG2-CB 4.11Å; A467-A471 WeakPolarHBondContact O-CB 3.31Å; A467-A471 PolarHBondContact O-N 3.49Å; Q468-A471 PolarHBondContact O-N 3.25Å; A471-M474 WeakPolarHBondContact O-CB 3.33Å; A471-M474 PolarHBondContact O-N 3.4Å; A471-F475 HydrophobicContact CB-CE2 4.26Å; A471-F475 HydrophobicContact CB-CZ 4.28Å; A471-F475 VanDerWaalsContact O-CD2 3.29Å; A471-F475 WeakPolarHBondContact O-CD2 3.46Å; A471-F475 WeakPolarHBondContact O-CG 3.49Å; A471-F475 PolarHBondContact O-N 3.46Å |
| 472 | V | 95.9 | Very high | 94 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L423 L430 Q468 I469 I470 M474 F475 L476 L484 I491 I495 | L423-V472 HydrophobicContact CD1-CG1 3.83Å; L423-V472 HydrophobicContact CD1-CG2 3.93Å; L423-V472 HydrophobicContact CD2-CG1 4.33Å; L423-V472 HydrophobicContact CD2-CG2 4.35Å; L430-V472 HydrophobicContact CD1-CG2 3.98Å; L430-V472 HydrophobicContact CD2-CG2 3.91Å; Q468-V472 WeakPolarHBondContact O-CG2 3.45Å; Q468-V472 PolarHBondContact O-N 2.89Å; I469-V472 PolarHBondContact O-N 3.3Å; I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 PolarHBondContact O-N 3.45Å; V472-M474 VanDerWaalsContact C-N 3.28Å; V472-M474 PolarHBondContact O-N 3.03Å; V472-F475 PolarHBondContact O-N 2.88Å; V472-F475 VanDerWaalsContact O-N 3.08Å; V472-L476 WeakPolarHBondContact O-CG 3.45Å; V472-L476 PolarHBondContact O-N 3.32Å; V472-L484 HydrophobicContact CG1-CD1 3.78Å; V472-I491 HydrophobicContact CG2-CG2 4.37Å; V472-I495 HydrophobicContact CG2-CD1 4.19Å |
| 473 | A | 94.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I469 I470 L476 I477 | I469-A473 PolarHBondContact O-N 3.21Å; I470-A473 WeakPolarHBondContact O-CB 3.24Å; I470-A473 PolarHBondContact O-N 2.89Å; I470-A473 VanDerWaalsContact O-N 3.14Å; A473-L476 PolarHBondContact O-N 2.95Å; A473-I477 WeakPolarHBondContact O-CG1 3.07Å; A473-I477 PolarHBondContact O-N 2.8Å |
| 474 | M | 94.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.5 | -67.8 | -66.8 | -80 | 0 | 0 | 111.7 | I470 A471 V472 L476 I477 F478 | I470-M474 HydrophobicContact CG2-CG 4.37Å; I470-M474 WeakPolarHBondContact O-CG 3.36Å; I470-M474 PolarHBondContact O-N 3.33Å; A471-M474 WeakPolarHBondContact O-CB 3.33Å; A471-M474 PolarHBondContact O-N 3.4Å; V472-M474 VanDerWaalsContact C-N 3.28Å; V472-M474 PolarHBondContact O-N 3.03Å; M474-L476 VanDerWaalsContact C-N 3.28Å; M474-L476 PolarHBondContact O-N 3.39Å; M474-I477 PolarHBondContact O-N 3.33Å; M474-I477 VanDerWaalsContact O-N 3.08Å; M474-F478 HydrophobicContact CE-CD2 4.37Å; M474-F478 HydrophobicContact CE-CE2 3.56Å; M474-F478 HydrophobicContact CE-CZ 4.44Å; M474-F478 VanDerWaalsContact O-CD2 3.22Å; M474-F478 WeakPolarHBondContact O-CD2 3.39Å; M474-F478 PolarHBondContact O-N 2.95Å; M474-F478 HydrophobicContact SD-CE2 4.26Å |
| 475 | F | 94.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | 177.1 | -59 | -28.8 | 0 | 0 | 0 | 112.5 | V334 L423 Y426 V429 L430 A471 V472 I477 F478 D479 I482 | V334-F475 HydrophobicContact CG1-CE1 3.95Å; V334-F475 HydrophobicContact CG2-CE1 3.87Å; V334-F475 HydrophobicContact CG2-CZ 4.11Å; L423-F475 HydrophobicContact CD2-CD2 4.38Å; Y426-F475 HydrophobicContact CD1-CD1 4.23Å; Y426-F475 AromaticContact CD1-CD2 3.62Å; Y426-F475 HydrophobicContact CD1-CD2 3.62Å; Y426-F475 HydrophobicContact CD1-CE1 4.13Å; Y426-F475 AromaticContact CD1-CE2 3.48Å; Y426-F475 HydrophobicContact CD1-CE2 3.48Å; Y426-F475 VanDerWaalsContact CD1-CE2 3.48Å; Y426-F475 HydrophobicContact CD1-CG 4.01Å; Y426-F475 AromaticContact CD1-CZ 3.77Å; Y426-F475 HydrophobicContact CD1-CZ 3.77Å; Y426-F475 AromaticContact CE1-CD1 3.97Å; Y426-F475 HydrophobicContact CE1-CD1 3.97Å; Y426-F475 HydrophobicContact CE1-CD2 4.08Å; Y426-F475 HydrophobicContact CE1-CE1 4.12Å; Y426-F475 HydrophobicContact CE1-CE2 4.2Å; Y426-F475 AromaticContact CE1-CG 3.98Å; Y426-F475 HydrophobicContact CE1-CG 3.98Å; Y426-F475 HydrophobicContact CE1-CZ 4.24Å; Y426-F475 HydrophobicContact CG-CD2 4.01Å; Y426-F475 HydrophobicContact CG-CE2 4.06Å; V429-F475 HydrophobicContact CG1-CE2 4.46Å; V429-F475 HydrophobicContact CG1-CZ 3.82Å; L430-F475 HydrophobicContact CD2-CD2 4.47Å; L430-F475 HydrophobicContact CD2-CE2 3.78Å; L430-F475 HydrophobicContact CG-CE2 4.15Å; A471-F475 HydrophobicContact CB-CE2 4.26Å; A471-F475 HydrophobicContact CB-CZ 4.28Å; A471-F475 VanDerWaalsContact O-CD2 3.29Å; A471-F475 WeakPolarHBondContact O-CD2 3.46Å; A471-F475 WeakPolarHBondContact O-CG 3.49Å; A471-F475 PolarHBondContact O-N 3.46Å; V472-F475 PolarHBondContact O-N 2.88Å; V472-F475 VanDerWaalsContact O-N 3.08Å; F475-I477 VanDerWaalsContact C-N 3.26Å; F475-I477 PolarHBondContact O-N 3.41Å; F475-F478 PolarHBondContact O-N 3.43Å; F475-D479 WeakPolarHBondContact O-CA 3.07Å; F475-D479 VanDerWaalsContact O-CB 3.27Å; F475-D479 WeakPolarHBondContact O-CB 3.33Å; F475-D479 PolarHBondContact O-N 3.22Å; F475-I482 HydrophobicContact CB-CD1 4.2Å |
| 476 | L | 91.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 174.3 | -58.1 | 174.7 | 0 | 0 | 0 | 113.5 | V472 A473 M474 I482 L484 | V472-L476 WeakPolarHBondContact O-CG 3.45Å; V472-L476 PolarHBondContact O-N 3.32Å; A473-L476 PolarHBondContact O-N 2.95Å; M474-L476 VanDerWaalsContact C-N 3.28Å; M474-L476 PolarHBondContact O-N 3.39Å; L476-I482 HydrophobicContact CD2-CB 4.14Å; L476-I482 HydrophobicContact CD2-CG2 3.56Å; L476-L484 HydrophobicContact CD1-CD1 3.49Å; L476-L484 VanDerWaalsContact CD1-CD1 3.49Å; L476-L484 HydrophobicContact CD1-CG 4.12Å; L476-L484 HydrophobicContact CD2-CD1 3.66Å; L476-L484 HydrophobicContact CD2-CD2 4.02Å; L476-L484 HydrophobicContact CD2-CG 3.49Å; L476-L484 VanDerWaalsContact CD2-CG 3.49Å; L476-L484 HydrophobicContact CG-CD1 4.03Å; L476-L484 HydrophobicContact CG-CG 4.37Å |
| 477 | I | 92.4 | Very high | 90.9 | Very high | 123 Ų | 123 | 50.8 Ų | 50.8 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -78.2 | -42 | 178 | -64.3 | 166.4 | 0 | 0 | 0 | 110.5 | A473 M474 F475 | A473-I477 WeakPolarHBondContact O-CG1 3.07Å; A473-I477 PolarHBondContact O-N 2.8Å; M474-I477 PolarHBondContact O-N 3.33Å; M474-I477 VanDerWaalsContact O-N 3.08Å; F475-I477 VanDerWaalsContact C-N 3.26Å; F475-I477 PolarHBondContact O-N 3.41Å |
| 478 | F | 92.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 56.1 Ų | 56.1 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -96.9 | -25.3 | -171.7 | -67.9 | -72.3 | 0 | 0 | 0 | 114.9 | I338 M474 F475 | I338-F478 HydrophobicContact CD1-CB 4.03Å; M474-F478 HydrophobicContact CE-CD2 4.37Å; M474-F478 HydrophobicContact CE-CE2 3.56Å; M474-F478 HydrophobicContact CE-CZ 4.44Å; M474-F478 VanDerWaalsContact O-CD2 3.22Å; M474-F478 WeakPolarHBondContact O-CD2 3.39Å; M474-F478 PolarHBondContact O-N 2.95Å; M474-F478 HydrophobicContact SD-CE2 4.26Å; F475-F478 PolarHBondContact O-N 3.43Å |
| 479 | D | 90.7 | Very high | 90.2 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.032 | 35% | 0.349 | C | S | . | . | trans | -106.8 | 91.9 | 177.7 | -167.5 | -14 | 0 | 0 | 0 | 110.6 | I338 R341 Y426 F475 S481 I482 | I338-D479 HydrophobicContact CG1-CB 4.19Å; R341-D479 IonicContact NH2-OD2 3.28Å; R341-D479 PolarHBondContact NH2-OD2 2.68Å; Y426-D479 PolarHBondContact OH-OD2 2.92Å; F475-D479 WeakPolarHBondContact O-CA 3.07Å; F475-D479 VanDerWaalsContact O-CB 3.27Å; F475-D479 WeakPolarHBondContact O-CB 3.33Å; F475-D479 PolarHBondContact O-N 3.22Å; D479-S481 VanDerWaalsContact CG-OG 3.24Å; D479-S481 PolarHBondContact O-N 3.11Å; D479-S481 WeakPolarHBondContact OD1-CB 3.47Å; D479-S481 PolarHBondContact OD1-N 2.05Å; D479-S481 PolarHBondContact OD1-OG 3.32Å; D479-S481 PolarHBondContact OD2-OG 3.13Å; D479-I482 HydrophobicContact CB-CD1 3.79Å; D479-I482 HydrophobicContact CB-CG1 4.04Å; D479-I482 PolarHBondContact O-N 3.3Å; D479-I482 VanDerWaalsContact O-N 3.15Å | ||
| 480 | G | 85.3 | Confident | 90.1 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 73% | 0.732 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -4.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I482 | G480-I482 VanDerWaalsContact C-N 3.34Š|
| 481 | S | 85.1 | Confident | 90 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.4 | 174.5 | 77.3 | 0 | 0 | 0 | 0 | 113.9 | R341 I416 L417 D479 | R341-S481 PolarHBondContact NH2-OG 3.41Å; I416-S481 WeakPolarHBondContact CG2-O 3.28Å; L417-S481 PolarHBondContact N-O 3.12Å; D479-S481 VanDerWaalsContact CG-OG 3.24Å; D479-S481 PolarHBondContact O-N 3.11Å; D479-S481 WeakPolarHBondContact OD1-CB 3.47Å; D479-S481 PolarHBondContact OD1-N 2.05Å; D479-S481 PolarHBondContact OD1-OG 3.32Å; D479-S481 PolarHBondContact OD2-OG 3.13Å |
| 482 | I | 87.4 | Confident | 90 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129 | -175.8 | -53.6 | 176.3 | 0 | 0 | 0 | 110.2 | L423 Y426 F475 L476 D479 G480 L484 | L423-I482 HydrophobicContact CD2-CD1 4.17Å; L423-I482 HydrophobicContact CD2-CG2 4.41Å; Y426-I482 HydrophobicContact CD2-CD1 4.13Å; Y426-I482 HydrophobicContact CE2-CD1 3.57Å; F475-I482 HydrophobicContact CB-CD1 4.2Å; L476-I482 HydrophobicContact CD2-CB 4.14Å; L476-I482 HydrophobicContact CD2-CG2 3.56Å; D479-I482 HydrophobicContact CB-CD1 3.79Å; D479-I482 HydrophobicContact CB-CG1 4.04Å; D479-I482 PolarHBondContact O-N 3.3Å; D479-I482 VanDerWaalsContact O-N 3.15Å; G480-I482 VanDerWaalsContact C-N 3.34Å; I482-L484 HydrophobicContact CG2-CD2 3.67Å; I482-L484 HydrophobicContact CG2-CG 4.39Å |
| 483 | N | 86.9 | Confident | 90 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 113.2 | 168.7 | -177.1 | -4.4 | 0 | 0 | 0 | 110.9 | I416 L417 T418 G419 N485 | I416-N483 HydrophobicContact CG2-CB 3.65Å; L417-N483 PolarHBondContact O-N 3.46Å; L417-N483 VanDerWaalsContact O-N 3.07Å; T418-N483 CarbonylContact C-O 3.57Å; T418-N483 VanDerWaalsContact CA-O 3.3Å; T418-N483 WeakPolarHBondContact CA-O 3.1Å; G419-N483 PolarHBondContact N-O 3.01Å; N483-N485 VanDerWaalsContact CG-OD1 3.26Å; N483-N485 PolarHBondContact ND2-OD1 3.21Å; N483-N485 PolarHBondContact O-N 2.94Å; N483-N485 PolarHBondContact OD1-N 3.44Å; N483-N485 VanDerWaalsContact OD1-N 3.15Å; N483-N485 PolarHBondContact OD1-OD1 3.48Å |
| 484 | L | 83.3 | Confident | 90.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | -80.6 | -9.5 | -173.4 | -53.5 | -179.1 | 0 | 0 | 0 | 114.5 | L423 V472 L476 I482 S486 T487 Y488 I491 | L423-L484 HydrophobicContact CD1-CD1 4.44Å; L423-L484 HydrophobicContact CD1-CD2 3.73Å; L423-L484 HydrophobicContact CG-CD2 3.88Å; V472-L484 HydrophobicContact CG1-CD1 3.78Å; L476-L484 HydrophobicContact CD1-CD1 3.49Å; L476-L484 VanDerWaalsContact CD1-CD1 3.49Å; L476-L484 HydrophobicContact CD1-CG 4.12Å; L476-L484 HydrophobicContact CD2-CD1 3.66Å; L476-L484 HydrophobicContact CD2-CD2 4.02Å; L476-L484 HydrophobicContact CD2-CG 3.49Å; L476-L484 VanDerWaalsContact CD2-CG 3.49Å; L476-L484 HydrophobicContact CG-CD1 4.03Å; L476-L484 HydrophobicContact CG-CG 4.37Å; I482-L484 HydrophobicContact CG2-CD2 3.67Å; I482-L484 HydrophobicContact CG2-CG 4.39Å; L484-S486 PolarHBondContact O-N 2.78Å; L484-T487 PolarHBondContact O-N 2.94Å; L484-T487 PolarHBondContact O-OG1 3.37Å; L484-Y488 HydrophobicContact CB-CE1 4.07Å; L484-Y488 HydrophobicContact CD1-CD1 4.13Å; L484-Y488 HydrophobicContact CD1-CE1 3.77Å; L484-I491 HydrophobicContact CB-CD1 4.2Å; L484-I491 HydrophobicContact CD1-CD1 3.68Å; L484-I491 HydrophobicContact CD2-CD1 3.76Å; L484-I491 HydrophobicContact CG-CD1 4.07Å | ||
| 485 | N | 82.4 | Confident | 90.3 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | -123.4 | -176.1 | -67.6 | -11.3 | 0 | 0 | 0 | 112 | N483 Y488 | N483-N485 VanDerWaalsContact CG-OD1 3.26Å; N483-N485 PolarHBondContact ND2-OD1 3.21Å; N483-N485 PolarHBondContact O-N 2.94Å; N483-N485 PolarHBondContact OD1-N 3.44Å; N483-N485 VanDerWaalsContact OD1-N 3.15Å; N483-N485 PolarHBondContact OD1-OD1 3.48Å; N485-Y488 WeakPolarHBondContact O-CE2 3.41Å |
| 486 | S | 77.8 | Confident | 90.4 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 74% | 0.741 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.9 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L484 Y488 | L484-S486 PolarHBondContact O-N 2.78Å; S486-Y488 VanDerWaalsContact C-N 3.31Å; S486-Y488 PolarHBondContact O-N 3.49Å |
| 487 | T | 87.3 | Confident | 90.7 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 15.8 | -171.2 | 66.9 | 0 | 0 | 0 | 0 | 114.7 | G419 A420 L484 S489 W490 I491 | G419-T487 WeakPolarHBondContact CA-OG1 3.37Å; A420-T487 PolarHBondContact N-OG1 3.46Å; L484-T487 PolarHBondContact O-N 2.94Å; L484-T487 PolarHBondContact O-OG1 3.37Å; T487-S489 PolarHBondContact O-N 3.39Å; T487-W490 WeakPolarHBondContact O-CB 3.25Å; T487-W490 PolarHBondContact O-N 2.91Å; T487-I491 WeakPolarHBondContact O-CG1 3.3Å; T487-I491 PolarHBondContact O-N 3.33Å; T487-I491 VanDerWaalsContact O-N 3.1Å |
| 488 | Y | 89.7 | Confident | 90.9 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | -176.6 | -63 | -78.1 | 0 | 0 | 0 | 113.4 | L484 N485 S486 W490 I491 V492 | L484-Y488 HydrophobicContact CB-CE1 4.07Å; L484-Y488 HydrophobicContact CD1-CD1 4.13Å; L484-Y488 HydrophobicContact CD1-CE1 3.77Å; N485-Y488 WeakPolarHBondContact O-CE2 3.41Å; S486-Y488 VanDerWaalsContact C-N 3.31Å; S486-Y488 PolarHBondContact O-N 3.49Å; Y488-W490 VanDerWaalsContact C-N 3.29Å; Y488-W490 PolarHBondContact O-N 3.08Å; Y488-I491 PolarHBondContact O-N 2.9Å; Y488-V492 WeakPolarHBondContact O-CG2 3.36Å; Y488-V492 PolarHBondContact O-N 3.48Å |
| 489 | S | 91.8 | Very high | 91.1 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 69% | 0.685 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 178.9 | 55 | 0 | 0 | 0 | 0 | 111.8 | T487 G493 | T487-S489 PolarHBondContact O-N 3.39Å; S489-G493 PolarHBondContact O-N 3.16Å |
| 490 | W | 94.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 31% | 0.314 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.8 | -170.8 | -102 | 0 | 0 | 0 | 112.1 | C19 T487 Y488 G493 S494 L520 L523 | C19-W490 HydrophobicContact CB-CH2 3.98Å; T487-W490 WeakPolarHBondContact O-CB 3.25Å; T487-W490 PolarHBondContact O-N 2.91Å; Y488-W490 VanDerWaalsContact C-N 3.29Å; Y488-W490 PolarHBondContact O-N 3.08Å; W490-G493 PolarHBondContact O-N 3.43Å; W490-S494 VanDerWaalsContact O-CB 3.32Å; W490-S494 WeakPolarHBondContact O-CB 3.27Å; W490-S494 PolarHBondContact O-N 2.69Å; W490-S494 PolarHBondContact O-OG 3.26Å; W490-L520 HydrophobicContact CZ2-CD2 4.44Å; W490-L520 PolarHBondContact NE1-O 3.45Å; W490-L523 HydrophobicContact CH2-CD2 3.57Å; W490-L523 HydrophobicContact CZ2-CB 4.05Å; W490-L523 HydrophobicContact CZ2-CD2 3.3Å; W490-L523 HydrophobicContact CZ2-CG 4.2Å |
| 491 | I | 95 | Very high | 91.8 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 178.2 | -66.4 | 162.2 | 0 | 0 | 0 | 110.5 | A420 L423 V472 L484 T487 Y488 G493 S494 I495 L521 | A420-I491 HydrophobicContact CB-CD1 4.32Å; A420-I491 HydrophobicContact CB-CG1 3.82Å; L423-I491 HydrophobicContact CD1-CD1 3.77Å; L423-I491 HydrophobicContact CD1-CG1 4.14Å; L423-I491 HydrophobicContact CD1-CG2 4.02Å; V472-I491 HydrophobicContact CG2-CG2 4.37Å; L484-I491 HydrophobicContact CB-CD1 4.2Å; L484-I491 HydrophobicContact CD1-CD1 3.68Å; L484-I491 HydrophobicContact CD2-CD1 3.76Å; L484-I491 HydrophobicContact CG-CD1 4.07Å; T487-I491 WeakPolarHBondContact O-CG1 3.3Å; T487-I491 PolarHBondContact O-N 3.33Å; T487-I491 VanDerWaalsContact O-N 3.1Å; Y488-I491 PolarHBondContact O-N 2.9Å; I491-G493 VanDerWaalsContact C-N 3.35Å; I491-G493 PolarHBondContact O-N 3.26Å; I491-S494 PolarHBondContact O-N 2.95Å; I491-I495 HydrophobicContact CG2-CD1 3.77Å; I491-I495 WeakPolarHBondContact O-CB 3.45Å; I491-I495 WeakPolarHBondContact O-CG1 3.44Å; I491-I495 PolarHBondContact O-N 3.06Å; I491-L521 HydrophobicContact CG1-CD2 4.27Å |
| 492 | V | 95.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | I469 Y488 S494 I495 T496 | I469-V492 HydrophobicContact CD1-CG1 4.42Å; I469-V492 HydrophobicContact CD1-CG2 4.11Å; I469-V492 HydrophobicContact CG1-CG2 4.37Å; Y488-V492 WeakPolarHBondContact O-CG2 3.36Å; Y488-V492 PolarHBondContact O-N 3.48Å; V492-S494 PolarHBondContact O-N 2.73Å; V492-I495 PolarHBondContact O-N 3.42Å; V492-T496 VanDerWaalsContact O-CB 3.29Å; V492-T496 WeakPolarHBondContact O-CB 3.24Å; V492-T496 PolarHBondContact O-N 2.76Å; V492-T496 PolarHBondContact O-OG1 3.07Å |
| 493 | G | 96.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S489 W490 I491 T496 L497 | S489-G493 PolarHBondContact O-N 3.16Å; W490-G493 PolarHBondContact O-N 3.43Å; I491-G493 VanDerWaalsContact C-N 3.35Å; I491-G493 PolarHBondContact O-N 3.26Å; G493-T496 PolarHBondContact O-N 3.05Å; G493-L497 WeakPolarHBondContact O-CB 3.35Å; G493-L497 PolarHBondContact O-N 3.35Å |
| 494 | S | 97.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | W490 I491 V492 T496 L497 V498 | W490-S494 VanDerWaalsContact O-CB 3.32Å; W490-S494 WeakPolarHBondContact O-CB 3.27Å; W490-S494 PolarHBondContact O-N 2.69Å; W490-S494 PolarHBondContact O-OG 3.26Å; I491-S494 PolarHBondContact O-N 2.95Å; V492-S494 PolarHBondContact O-N 2.73Å; S494-T496 VanDerWaalsContact C-N 3.34Å; S494-T496 PolarHBondContact O-N 3.37Å; S494-L497 PolarHBondContact O-N 2.85Å; S494-V498 WeakPolarHBondContact O-CG2 3.47Å; S494-V498 PolarHBondContact O-N 3.14Å; S494-V498 VanDerWaalsContact O-N 3.09Å |
| 495 | I | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 176.3 | -72.4 | 168.5 | 0 | 0 | 0 | 110.5 | V465 Q468 V472 I491 V492 L497 V498 A499 L517 | V465-I495 HydrophobicContact CB-CG2 4.34Å; V465-I495 HydrophobicContact CG1-CG2 4.12Å; V465-I495 HydrophobicContact CG2-CG2 4.28Å; Q468-I495 HydrophobicContact CB-CD1 4.06Å; Q468-I495 HydrophobicContact CB-CG1 4.44Å; Q468-I495 HydrophobicContact CB-CG2 3.74Å; Q468-I495 HydrophobicContact CG-CG2 4.36Å; V472-I495 HydrophobicContact CG2-CD1 4.19Å; I491-I495 HydrophobicContact CG2-CD1 3.77Å; I491-I495 WeakPolarHBondContact O-CB 3.45Å; I491-I495 WeakPolarHBondContact O-CG1 3.44Å; I491-I495 PolarHBondContact O-N 3.06Å; V492-I495 PolarHBondContact O-N 3.42Å; I495-L497 PolarHBondContact O-N 3.4Å; I495-V498 PolarHBondContact O-N 3.27Å; I495-A499 VanDerWaalsContact O-CB 3.31Å; I495-A499 WeakPolarHBondContact O-CB 3.42Å; I495-A499 PolarHBondContact O-N 3.4Å; I495-L517 HydrophobicContact CG1-CD1 4.31Å |
| 496 | T | 97.5 | Very high | 93.1 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.9 | -42.5 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | V492 G493 S494 A499 L500 | V492-T496 VanDerWaalsContact O-CB 3.29Å; V492-T496 WeakPolarHBondContact O-CB 3.24Å; V492-T496 PolarHBondContact O-N 2.76Å; V492-T496 PolarHBondContact O-OG1 3.07Å; G493-T496 PolarHBondContact O-N 3.05Å; S494-T496 VanDerWaalsContact C-N 3.34Å; S494-T496 PolarHBondContact O-N 3.37Å; T496-A499 PolarHBondContact O-N 3.49Å; T496-L500 WeakPolarHBondContact O-CB 3.38Å; T496-L500 PolarHBondContact O-N 3.18Å |
| 497 | L | 96.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -179.7 | -167.6 | 61.5 | 0 | 0 | 0 | 111.9 | V12 A15 V16 G493 S494 I495 L500 L501 L520 | V12-L497 HydrophobicContact CG1-CD1 3.87Å; V12-L497 HydrophobicContact CG1-CG 4.27Å; A15-L497 HydrophobicContact CB-CD1 4.06Å; V16-L497 HydrophobicContact CB-CD2 4.28Å; V16-L497 HydrophobicContact CG2-CD2 3.4Å; V16-L497 HydrophobicContact CG2-CG 3.89Å; G493-L497 WeakPolarHBondContact O-CB 3.35Å; G493-L497 PolarHBondContact O-N 3.35Å; S494-L497 PolarHBondContact O-N 2.85Å; I495-L497 PolarHBondContact O-N 3.4Å; L497-L500 PolarHBondContact O-N 3.5Å; L497-L501 PolarHBondContact O-N 3.05Å; L497-L520 HydrophobicContact CB-CD1 4.42Å; L497-L520 HydrophobicContact CD2-CD1 4.08Å; L497-L520 HydrophobicContact CD2-CD2 4.42Å |
| 498 | V | 97.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.1 | -37.2 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | A431 S494 I495 L500 L501 E502 L513 L517 L520 | A431-V498 HydrophobicContact CB-CG1 4.3Å; S494-V498 WeakPolarHBondContact O-CG2 3.47Å; S494-V498 PolarHBondContact O-N 3.14Å; S494-V498 VanDerWaalsContact O-N 3.09Å; I495-V498 PolarHBondContact O-N 3.27Å; V498-L500 VanDerWaalsContact C-N 3.29Å; V498-L500 PolarHBondContact O-N 3.16Å; V498-L501 WeakPolarHBondContact O-CB 3.29Å; V498-L501 PolarHBondContact O-N 2.93Å; V498-L501 VanDerWaalsContact O-N 3.16Å; V498-E502 PolarHBondContact O-N 2.98Å; V498-L513 HydrophobicContact CG1-CB 3.86Å; V498-L513 HydrophobicContact CG1-CD2 4.11Å; V498-L517 HydrophobicContact CG1-CB 4.36Å; V498-L517 HydrophobicContact CG2-CB 3.93Å; V498-L517 HydrophobicContact CG2-CD1 4.22Å; V498-L520 HydrophobicContact CG2-CD1 3.93Å |
| 499 | A | 96.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T461 V465 I495 T496 E502 A503 | T461-A499 HydrophobicContact CG2-CB 3.92Å; V465-A499 HydrophobicContact CG2-CB 3.57Å; I495-A499 VanDerWaalsContact O-CB 3.31Å; I495-A499 WeakPolarHBondContact O-CB 3.42Å; I495-A499 PolarHBondContact O-N 3.4Å; T496-A499 PolarHBondContact O-N 3.49Å; A499-E502 WeakPolarHBondContact O-CB 3.32Å; A499-E502 PolarHBondContact O-N 3.04Å; A499-A503 PolarHBondContact O-N 3.44Å |
| 500 | L | 95.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 20.6 Ų | 20.6 | 25% | 0.246 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 172.1 | -171.2 | 63 | 0 | 0 | 0 | 111.7 | V12 W451 T496 L497 V498 E502 A503 Y504 | V12-L500 HydrophobicContact CG2-CB 4.43Å; V12-L500 HydrophobicContact CG2-CD2 3.62Å; V12-L500 HydrophobicContact CG2-CG 3.69Å; W451-L500 HydrophobicContact CH2-CD1 4.2Å; W451-L500 HydrophobicContact CZ2-CD1 4.25Å; T496-L500 WeakPolarHBondContact O-CB 3.38Å; T496-L500 PolarHBondContact O-N 3.18Å; L497-L500 PolarHBondContact O-N 3.5Å; V498-L500 VanDerWaalsContact C-N 3.29Å; V498-L500 PolarHBondContact O-N 3.16Å; L500-E502 VanDerWaalsContact C-N 3.35Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; L500-A503 PolarHBondContact O-N 2.99Å; L500-Y504 HydrophobicContact CD1-CD2 4.09Å; L500-Y504 HydrophobicContact CD1-CE2 3.8Å; L500-Y504 HydrophobicContact CG-CD2 4.5Å; L500-Y504 WeakPolarHBondContact O-CD2 3.39Å |
| 501 | L | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 173 | -175.1 | 60.4 | 0 | 0 | 0 | 111.4 | E9 V12 V13 L497 V498 A503 Y504 T505 L512 L513 Y516 | E9-L501 HydrophobicContact CG-CD1 4Å; V12-L501 HydrophobicContact CG1-CB 3.85Å; V12-L501 HydrophobicContact CG1-CD1 4.2Å; V13-L501 HydrophobicContact CG2-CD1 4.03Å; L497-L501 PolarHBondContact O-N 3.05Å; V498-L501 WeakPolarHBondContact O-CB 3.29Å; V498-L501 PolarHBondContact O-N 2.93Å; V498-L501 VanDerWaalsContact O-N 3.16Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.43Å; L501-Y504 PolarHBondContact O-N 3.04Å; L501-T505 WeakPolarHBondContact O-CB 3.35Å; L501-T505 WeakPolarHBondContact O-CG2 3.3Å; L501-T505 PolarHBondContact O-N 3.22Å; L501-L512 HydrophobicContact CD2-CD2 4.04Å; L501-L512 HydrophobicContact CD2-CG 4.47Å; L501-L512 HydrophobicContact CG-CD2 4.37Å; L501-L513 HydrophobicContact CB-CD2 4.16Å; L501-L513 HydrophobicContact CD2-CD2 4.14Å; L501-L513 HydrophobicContact CG-CD2 4.02Å; L501-Y516 HydrophobicContact CD2-CD1 4.25Å; L501-Y516 HydrophobicContact CD2-CD2 3.73Å; L501-Y516 HydrophobicContact CD2-CE2 4.19Å; L501-Y516 HydrophobicContact CD2-CG 3.76Å |
| 502 | E | 94.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 3% | 0.033 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -40.2 | 174.3 | -176 | -82.6 | 157.5 | 0 | 0 | 112.5 | K456 V498 A499 L500 Y504 L513 | K456-E502 WeakPolarHBondContact CE-OE1 3.28Å; K456-E502 IonicContact NZ-OE1 2.66Å; K456-E502 PolarHBondContact NZ-OE1 3.01Å; V498-E502 PolarHBondContact O-N 2.98Å; A499-E502 WeakPolarHBondContact O-CB 3.32Å; A499-E502 PolarHBondContact O-N 3.04Å; L500-E502 VanDerWaalsContact C-N 3.35Å; E502-Y504 PolarHBondContact O-N 2.97Å; E502-L513 HydrophobicContact CB-CD1 3.63Å; E502-L513 HydrophobicContact CB-CD2 4Å; E502-L513 HydrophobicContact CB-CG 4.48Å; E502-L513 HydrophobicContact CG-CD1 3.69Å |
| 503 | A | 93.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -26.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W451 T454 A499 L500 L501 | W451-A503 HydrophobicContact CG-CB 4.21Å; T454-A503 WeakPolarHBondContact CB-O 3.38Å; T454-A503 WeakPolarHBondContact CG2-O 3.2Å; T454-A503 PolarHBondContact OG1-O 3.04Å; A499-A503 PolarHBondContact O-N 3.44Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; L500-A503 PolarHBondContact O-N 2.99Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.43Å |
| 504 | Y | 92.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 12.2 Ų | 12.2 | 7% | 0.067 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -116.8 | -21 | -171.9 | -75.5 | -78.7 | 0 | 0 | 0 | 115.3 | P5 V8 W451 T454 L500 L501 E502 | P5-Y504 HydrophobicContact CB-CD1 3.84Å; P5-Y504 HydrophobicContact CB-CE1 4.49Å; V8-Y504 HydrophobicContact CB-CD1 3.61Å; V8-Y504 HydrophobicContact CB-CD2 4.2Å; V8-Y504 HydrophobicContact CB-CE1 3.65Å; V8-Y504 HydrophobicContact CB-CE2 4.25Å; V8-Y504 HydrophobicContact CB-CG 3.89Å; V8-Y504 HydrophobicContact CG1-CD1 3.92Å; V8-Y504 HydrophobicContact CG1-CD2 3.6Å; V8-Y504 HydrophobicContact CG1-CE1 3.78Å; V8-Y504 HydrophobicContact CG1-CE2 3.47Å; V8-Y504 VanDerWaalsContact CG1-CE2 3.47Å; V8-Y504 HydrophobicContact CG1-CG 3.82Å; V8-Y504 HydrophobicContact CG2-CD1 4.18Å; V8-Y504 HydrophobicContact CG2-CE1 3.77Å; W451-Y504 HydrophobicContact CB-CE1 4.47Å; W451-Y504 HydrophobicContact CB-CE2 4.48Å; W451-Y504 HydrophobicContact CD2-CE2 4.17Å; W451-Y504 HydrophobicContact CE3-CE2 4.11Å; W451-Y504 VanDerWaalsContact CE3-OH 3.3Å; W451-Y504 HydrophobicContact CG-CE2 4.36Å; T454-Y504 HydrophobicContact CG2-CD1 3.57Å; T454-Y504 HydrophobicContact CG2-CE1 3.87Å; T454-Y504 HydrophobicContact CG2-CG 4.34Å; L500-Y504 HydrophobicContact CD1-CD2 4.09Å; L500-Y504 HydrophobicContact CD1-CE2 3.8Å; L500-Y504 HydrophobicContact CG-CD2 4.5Å; L500-Y504 WeakPolarHBondContact O-CD2 3.39Å; L501-Y504 PolarHBondContact O-N 3.04Å; E502-Y504 PolarHBondContact O-N 2.97Å |
| 505 | T | 89.1 | Confident | 92.4 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 9% | 0.092 | 7% | 0.072 | C | C | . | . | trans | -72.6 | 136.3 | -179.1 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | E9 L501 Q507 | E9-T505 WeakPolarHBondContact OE1-CA 2.95Å; E9-T505 WeakPolarHBondContact OE1-CB 3.3Å; E9-T505 PolarHBondContact OE1-OG1 2.74Å; L501-T505 WeakPolarHBondContact O-CB 3.35Å; L501-T505 WeakPolarHBondContact O-CG2 3.3Å; L501-T505 PolarHBondContact O-N 3.22Å; T505-Q507 PolarHBondContact OG1-N 3.24Å | ||
| 506 | S | 82.6 | Confident | 92.4 | Very high | 36 Ų | 36 | 12.6 Ų | 12.6 | 25% | 0.252 | 7% | 0.072 | S | C | . | . | trans | -100.9 | 0.8 | 169.1 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | N64 | N64-S506 VanDerWaalsContact CG-OG 3.25Å; N64-S506 PolarHBondContact ND2-OG 3.23Å; N64-S506 PolarHBondContact OD1-OG 3.25Å | ||
| 507 | Q | 83.9 | Confident | 92.5 | Very high | 7 Ų | 7 | 9.5 Ų | 9.5 | 3% | 0.033 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -78.1 | 175.8 | 176.8 | -59.2 | -54.4 | -54.6 | 0 | 0 | 110.3 | N64 G66 T176 T505 D509 | N64-Q507 PolarHBondContact O-NE2 3.41Å; N64-Q507 PolarHBondContact OD1-NE2 2.74Å; G66-Q507 VanDerWaalsContact CA-NE2 3.3Å; T176-Q507 PolarHBondContact OG1-OE1 2.94Å; T505-Q507 PolarHBondContact OG1-N 3.24Å; Q507-D509 PolarHBondContact O-N 3.39Å |
| 508 | I | 81.4 | Confident | 92.5 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | trans | -70.5 | 97.4 | 173 | -67 | 168.9 | 0 | 0 | 0 | 109.5 | E179 R384 Y395 N510 L511 L512 | E179-I508 VanDerWaalsContact OE1-CD1 3.22Å; E179-I508 WeakPolarHBondContact OE1-CD1 3.4Å; E179-I508 WeakPolarHBondContact OE1-CG1 3.43Å; E179-I508 PolarHBondContact OE1-N 3.01Å; R384-I508 HydrophobicContact CB-CD1 4.34Å; R384-I508 HydrophobicContact CB-CG1 4.38Å; R384-I508 HydrophobicContact CG-CG1 4.2Å; Y395-I508 HydrophobicContact CD2-CB 4.34Å; Y395-I508 HydrophobicContact CD2-CD1 3.41Å; Y395-I508 VanDerWaalsContact CD2-CD1 3.41Å; Y395-I508 HydrophobicContact CD2-CG1 4.37Å; Y395-I508 HydrophobicContact CD2-CG2 3.67Å; Y395-I508 HydrophobicContact CE2-CD1 3.18Å; Y395-I508 HydrophobicContact CE2-CG1 4.42Å; Y395-I508 HydrophobicContact CE2-CG2 4.37Å; Y395-I508 HydrophobicContact CG-CG2 3.9Å; I508-N510 HydrophobicContact CG2-CB 3.96Å; I508-N510 PolarHBondContact O-N 3.28Å; I508-L511 HydrophobicContact CG2-CB 4.42Å; I508-L511 PolarHBondContact O-N 3Å; I508-L512 PolarHBondContact O-N 3.26Å | ||
| 509 | D | 82.8 | Confident | 92.5 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -45.8 | -41.4 | 172.8 | 43.9 | 21.1 | 0 | 0 | 0 | 113.2 | R384 Q507 L511 L512 L513 | R384-D509 IonicContact CZ-OD1 2.77Å; R384-D509 IonicContact CZ-OD2 2.93Å; R384-D509 IonicContact NH1-OD1 3.6Å; R384-D509 PolarHBondContact NH1-OD1 3.38Å; R384-D509 IonicContact NH1-OD2 3.13Å; R384-D509 PolarHBondContact NH1-OD2 3.05Å; R384-D509 IonicContact NH2-OD1 3.6Å; R384-D509 PolarHBondContact NH2-OD1 3.04Å; R384-D509 IonicContact NH2-OD2 3.34Å; R384-D509 PolarHBondContact NH2-OD2 3.37Å; Q507-D509 PolarHBondContact O-N 3.39Å; D509-L511 PolarHBondContact O-N 3.27Å; D509-L511 VanDerWaalsContact O-N 3.12Å; D509-L512 PolarHBondContact O-N 3.24Å; D509-L513 HydrophobicContact CB-CD1 3.65Å; D509-L513 HydrophobicContact CB-CG 4Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.29Å |
| 510 | N | 90.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.2 | -29.3 | 177.3 | -71.5 | -9.9 | 0 | 0 | 0 | 113.3 | G399 V432 I508 | G399-N510 WeakPolarHBondContact CA-O 2.83Å; V432-N510 VanDerWaalsContact CG1-OD1 3.28Å; V432-N510 WeakPolarHBondContact CG1-OD1 3.42Å; I508-N510 HydrophobicContact CG2-CB 3.96Å; I508-N510 PolarHBondContact O-N 3.28Å |
| 511 | L | 89.2 | Confident | 92.4 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 3% | 0.026 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -90.4 | -44.8 | 176.9 | -177.1 | 64.4 | 0 | 0 | 0 | 111.5 | L182 I183 Y395 L402 I508 D509 L515 | L182-L511 HydrophobicContact CB-CD2 4.16Å; L182-L511 HydrophobicContact CD1-CD2 3.92Å; L182-L511 HydrophobicContact CD1-CG 4.27Å; I183-L511 HydrophobicContact CD1-CD1 4.03Å; I183-L511 HydrophobicContact CD1-CD2 3.78Å; I183-L511 HydrophobicContact CG1-CD2 4.08Å; Y395-L511 HydrophobicContact CD1-CB 4.38Å; Y395-L511 HydrophobicContact CD1-CD1 4.49Å; Y395-L511 HydrophobicContact CD1-CD2 4.5Å; Y395-L511 HydrophobicContact CE1-CD2 4.17Å; L402-L511 HydrophobicContact CD1-CD1 3.74Å; I508-L511 HydrophobicContact CG2-CB 4.42Å; I508-L511 PolarHBondContact O-N 3Å; D509-L511 PolarHBondContact O-N 3.27Å; D509-L511 VanDerWaalsContact O-N 3.12Å; L511-L515 HydrophobicContact CD1-CD1 4.42Å; L511-L515 VanDerWaalsContact O-CD1 3.28Å; L511-L515 WeakPolarHBondContact O-CD1 3.41Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å |
| 512 | L | 93.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 6.1 Ų | 6.1 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -79.3 | -47.9 | -166.7 | -163.8 | 74.8 | 0 | 0 | 0 | 113.2 | P69 V73 L182 L501 I508 D509 L515 Y516 | P69-L512 HydrophobicContact CB-CD1 3.95Å; P69-L512 HydrophobicContact CB-CD2 3.6Å; P69-L512 HydrophobicContact CB-CG 4.34Å; P69-L512 HydrophobicContact CG-CD2 4.25Å; V73-L512 HydrophobicContact CG2-CD1 4.18Å; L182-L512 HydrophobicContact CD1-CD1 4.09Å; L501-L512 HydrophobicContact CD2-CD2 4.04Å; L501-L512 HydrophobicContact CD2-CG 4.47Å; L501-L512 HydrophobicContact CG-CD2 4.37Å; I508-L512 PolarHBondContact O-N 3.26Å; D509-L512 PolarHBondContact O-N 3.24Å; L512-L515 PolarHBondContact O-N 3.04Å; L512-Y516 HydrophobicContact CD1-CD2 4.15Å; L512-Y516 HydrophobicContact CD1-CE2 3.74Å; L512-Y516 HydrophobicContact CD2-CE2 4.4Å; L512-Y516 HydrophobicContact CG-CD2 3.87Å; L512-Y516 HydrophobicContact CG-CE2 3.87Å; L512-Y516 WeakPolarHBondContact O-CD2 3.43Å; L512-Y516 PolarHBondContact O-N 3.44Å |
| 513 | L | 95.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.016 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | -170.2 | -54.8 | 177.7 | 0 | 0 | 0 | 113 | A431 V498 L501 E502 D509 L515 Y516 L517 | A431-L513 HydrophobicContact CB-CB 3.95Å; V498-L513 HydrophobicContact CG1-CB 3.86Å; V498-L513 HydrophobicContact CG1-CD2 4.11Å; L501-L513 HydrophobicContact CB-CD2 4.16Å; L501-L513 HydrophobicContact CD2-CD2 4.14Å; L501-L513 HydrophobicContact CG-CD2 4.02Å; E502-L513 HydrophobicContact CB-CD1 3.63Å; E502-L513 HydrophobicContact CB-CD2 4Å; E502-L513 HydrophobicContact CB-CG 4.48Å; E502-L513 HydrophobicContact CG-CD1 3.69Å; D509-L513 HydrophobicContact CB-CD1 3.65Å; D509-L513 HydrophobicContact CB-CG 4Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.29Å; L513-L515 VanDerWaalsContact C-N 3.27Å; L513-L515 PolarHBondContact O-N 3.36Å; L513-Y516 PolarHBondContact O-N 3.43Å; L513-L517 PolarHBondContact O-N 2.84Å |
| 514 | P | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 176.8 | -27.6 | 38.7 | 0 | 0 | 0 | 113.4 | G399 P403 A431 V432 F518 | G399-P514 VanDerWaalsContact O-CB 3.23Å; G399-P514 WeakPolarHBondContact O-CB 3.1Å; G399-P514 VanDerWaalsContact O-CG 3.3Å; G399-P514 WeakPolarHBondContact O-CG 3.33Å; P403-P514 HydrophobicContact CG-CB 4.08Å; A431-P514 HydrophobicContact CB-CG 4.42Å; V432-P514 HydrophobicContact CB-CG 4.35Å; V432-P514 HydrophobicContact CG2-CG 3.34Å; P514-F518 WeakPolarHBondContact O-CB 3.28Å; P514-F518 PolarHBondContact O-N 3.02Å |
| 515 | L | 97.4 | Very high | 92 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 6% | 0.058 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.1 | -41.2 | -178.2 | -67.8 | 170.9 | 0 | 0 | 0 | 111.3 | V73 L402 L406 L511 L512 L513 F518 I519 | V73-L515 HydrophobicContact CG1-CB 3.88Å; V73-L515 HydrophobicContact CG1-CD1 3.81Å; V73-L515 HydrophobicContact CG1-CG 4.27Å; L402-L515 HydrophobicContact CB-CD2 4.14Å; L402-L515 HydrophobicContact CD1-CD1 4.24Å; L402-L515 HydrophobicContact CD1-CD2 4.18Å; L402-L515 HydrophobicContact CD1-CG 4.4Å; L406-L515 HydrophobicContact CD1-CD2 3.76Å; L511-L515 HydrophobicContact CD1-CD1 4.42Å; L511-L515 VanDerWaalsContact O-CD1 3.28Å; L511-L515 WeakPolarHBondContact O-CD1 3.41Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å; L512-L515 PolarHBondContact O-N 3.04Å; L513-L515 VanDerWaalsContact C-N 3.27Å; L513-L515 PolarHBondContact O-N 3.36Å; L515-F518 WeakPolarHBondContact O-CB 3.4Å; L515-F518 PolarHBondContact O-N 3Å; L515-I519 WeakPolarHBondContact O-CD1 3.28Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 3.32Å |
| 516 | Y | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 174 | -87.2 | -88.3 | 0 | 0 | 0 | 112.2 | V13 V16 P69 V73 L501 L512 L513 F518 I519 L520 | V13-Y516 HydrophobicContact CG1-CE1 4.34Å; V13-Y516 WeakPolarHBondContact CG1-OH 3.49Å; V13-Y516 HydrophobicContact CG2-CE1 4.4Å; V16-Y516 HydrophobicContact CB-CD1 4.17Å; V16-Y516 HydrophobicContact CB-CE1 4.13Å; V16-Y516 HydrophobicContact CG1-CD1 3.79Å; V16-Y516 HydrophobicContact CG1-CE1 3.95Å; V16-Y516 HydrophobicContact CG2-CD1 3.79Å; V16-Y516 HydrophobicContact CG2-CE1 4.07Å; P69-Y516 WeakPolarHBondContact CA-OH 3.41Å; P69-Y516 HydrophobicContact CB-CE2 4.4Å; P69-Y516 PolarHBondContact O-OH 2.95Å; V73-Y516 HydrophobicContact CG2-CD2 4.3Å; V73-Y516 HydrophobicContact CG2-CE2 3.69Å; L501-Y516 HydrophobicContact CD2-CD1 4.25Å; L501-Y516 HydrophobicContact CD2-CD2 3.73Å; L501-Y516 HydrophobicContact CD2-CE2 4.19Å; L501-Y516 HydrophobicContact CD2-CG 3.76Å; L512-Y516 HydrophobicContact CD1-CD2 4.15Å; L512-Y516 HydrophobicContact CD1-CE2 3.74Å; L512-Y516 HydrophobicContact CD2-CE2 4.4Å; L512-Y516 HydrophobicContact CG-CD2 3.87Å; L512-Y516 HydrophobicContact CG-CE2 3.87Å; L512-Y516 WeakPolarHBondContact O-CD2 3.43Å; L512-Y516 PolarHBondContact O-N 3.44Å; L513-Y516 PolarHBondContact O-N 3.43Å; Y516-F518 VanDerWaalsContact C-N 3.33Å; Y516-I519 PolarHBondContact O-N 2.93Å; Y516-L520 WeakPolarHBondContact O-CG 3.41Å; Y516-L520 PolarHBondContact O-N 3.16Å |
| 517 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.4 | -171.7 | 56.7 | 0 | 0 | 0 | 111.4 | A427 L430 A431 I495 V498 L513 L520 L521 | A427-L517 HydrophobicContact CB-CB 4.16Å; A427-L517 HydrophobicContact CB-CD2 4.32Å; A427-L517 HydrophobicContact CB-CG 4.11Å; L430-L517 HydrophobicContact CB-CD2 3.7Å; L430-L517 HydrophobicContact CD1-CD2 4.39Å; A431-L517 HydrophobicContact CB-CB 4.43Å; A431-L517 HydrophobicContact CB-CD2 3.95Å; I495-L517 HydrophobicContact CG1-CD1 4.31Å; V498-L517 HydrophobicContact CG1-CB 4.36Å; V498-L517 HydrophobicContact CG2-CB 3.93Å; V498-L517 HydrophobicContact CG2-CD1 4.22Å; L513-L517 PolarHBondContact O-N 2.84Å; L517-L520 PolarHBondContact O-N 3.33Å; L517-L521 HydrophobicContact CD1-CD1 3.98Å; L517-L521 HydrophobicContact CD1-CD2 4.4Å; L517-L521 HydrophobicContact CD1-CG 3.89Å; L517-L521 HydrophobicContact CD2-CD1 4.38Å; L517-L521 HydrophobicContact CG-CD1 3.75Å; L517-L521 HydrophobicContact CG-CG 4.13Å; L517-L521 WeakPolarHBondContact O-CB 3.28Å; L517-L521 VanDerWaalsContact O-CG 3.24Å; L517-L521 WeakPolarHBondContact O-CG 3.3Å; L517-L521 PolarHBondContact O-N 3.05Å |
| 518 | F | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57 | -50 | 173.6 | 174.5 | -83.8 | 0 | 0 | 0 | 111.5 | M77 P403 L406 V424 A427 P514 L515 Y516 L520 L521 L522 | M77-F518 HydrophobicContact CG-CE1 4.07Å; M77-F518 HydrophobicContact SD-CE1 4.42Å; P403-F518 HydrophobicContact CB-CD2 3.93Å; L406-F518 HydrophobicContact CB-CE2 4.18Å; L406-F518 HydrophobicContact CB-CZ 3.93Å; V424-F518 HydrophobicContact CG1-CD2 3.26Å; V424-F518 HydrophobicContact CG1-CE2 3.18Å; V424-F518 HydrophobicContact CG1-CG 4.14Å; V424-F518 HydrophobicContact CG1-CZ 3.98Å; A427-F518 HydrophobicContact CB-CB 4.13Å; P514-F518 WeakPolarHBondContact O-CB 3.28Å; P514-F518 PolarHBondContact O-N 3.02Å; L515-F518 WeakPolarHBondContact O-CB 3.4Å; L515-F518 PolarHBondContact O-N 3Å; Y516-F518 VanDerWaalsContact C-N 3.33Å; F518-L520 PolarHBondContact O-N 3.42Å; F518-L521 PolarHBondContact O-N 2.99Å; F518-L522 HydrophobicContact CE1-CD2 3.8Å; F518-L522 HydrophobicContact CZ-CD2 4.08Å; F518-L522 WeakPolarHBondContact O-CB 3.41Å; F518-L522 PolarHBondContact O-N 3.31Å |
| 519 | I | 97.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 179.7 | -69.7 | 159.9 | 0 | 0 | 0 | 110.9 | V20 V73 L76 M77 V80 L515 Y516 L522 L523 | V20-I519 HydrophobicContact CG2-CG2 4.06Å; V73-I519 HydrophobicContact CG1-CD1 4.42Å; L76-I519 HydrophobicContact CB-CD1 4.11Å; L76-I519 HydrophobicContact CB-CG2 3.94Å; M77-I519 HydrophobicContact CB-CD1 4.28Å; M77-I519 HydrophobicContact CB-CG1 4.07Å; V80-I519 HydrophobicContact CG2-CG2 4.04Å; L515-I519 WeakPolarHBondContact O-CD1 3.28Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 3.32Å; Y516-I519 PolarHBondContact O-N 2.93Å; I519-L522 PolarHBondContact O-N 2.78Å; I519-L523 PolarHBondContact O-N 3.22Å; I519-L523 VanDerWaalsContact O-N 3.17Å |
| 520 | L | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.1 | -42.3 | -178.3 | -71.6 | 167.6 | 0 | 0 | 0 | 112.5 | V16 C19 W490 L497 V498 Y516 L517 F518 L522 L523 | V16-L520 HydrophobicContact CG1-CD2 3.99Å; V16-L520 HydrophobicContact CG1-CG 4.25Å; V16-L520 HydrophobicContact CG2-CD1 4.35Å; C19-L520 HydrophobicContact CB-CD2 4.34Å; W490-L520 HydrophobicContact CZ2-CD2 4.44Å; W490-L520 PolarHBondContact NE1-O 3.45Å; L497-L520 HydrophobicContact CB-CD1 4.42Å; L497-L520 HydrophobicContact CD2-CD1 4.08Å; L497-L520 HydrophobicContact CD2-CD2 4.42Å; V498-L520 HydrophobicContact CG2-CD1 3.93Å; Y516-L520 WeakPolarHBondContact O-CG 3.41Å; Y516-L520 PolarHBondContact O-N 3.16Å; L517-L520 PolarHBondContact O-N 3.33Å; F518-L520 PolarHBondContact O-N 3.42Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.22Å; L520-L523 PolarHBondContact O-N 3.14Å |
| 521 | L | 95 | Very high | 95.2 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -70 | -27.5 | 177.2 | -69.2 | 176.8 | 0 | 0 | 0 | 112.7 | A420 G421 L423 V424 A427 I491 L517 F518 | A420-L521 CarbonylContact C-O 3.51Å; A420-L521 VanDerWaalsContact C-O 3.29Å; A420-L521 HydrophobicContact CB-CD2 4.16Å; G421-L521 PolarHBondContact N-O 2.88Å; L423-L521 HydrophobicContact CB-CD1 3.9Å; L423-L521 HydrophobicContact CB-CD2 4.42Å; V424-L521 HydrophobicContact CG2-CB 3.78Å; A427-L521 HydrophobicContact CB-CD1 4.34Å; I491-L521 HydrophobicContact CG1-CD2 4.27Å; L517-L521 HydrophobicContact CD1-CD1 3.98Å; L517-L521 HydrophobicContact CD1-CD2 4.4Å; L517-L521 HydrophobicContact CD1-CG 3.89Å; L517-L521 HydrophobicContact CD2-CD1 4.38Å; L517-L521 HydrophobicContact CG-CD1 3.75Å; L517-L521 HydrophobicContact CG-CG 4.13Å; L517-L521 WeakPolarHBondContact O-CB 3.28Å; L517-L521 VanDerWaalsContact O-CG 3.24Å; L517-L521 WeakPolarHBondContact O-CG 3.3Å; L517-L521 PolarHBondContact O-N 3.05Å; F518-L521 PolarHBondContact O-N 2.99Å |
| 522 | L | 92.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 6.3 Ų | 6.3 | 4% | 0.037 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -80.1 | -19.5 | 177.2 | -169.7 | 70.2 | 0 | 0 | 0 | 112 | V80 L81 K84 P408 V424 F518 I519 L520 | V80-L522 HydrophobicContact CB-CD2 4.33Å; V80-L522 HydrophobicContact CG1-CB 3.67Å; V80-L522 HydrophobicContact CG1-CD2 3.77Å; V80-L522 HydrophobicContact CG1-CG 3.57Å; V80-L522 VanDerWaalsContact CG1-O 3.28Å; V80-L522 WeakPolarHBondContact CG1-O 3.39Å; L81-L522 HydrophobicContact CD2-CD2 3.65Å; L81-L522 HydrophobicContact CG-CD2 3.93Å; K84-L522 WeakPolarHBondContact CE-O 3.49Å; K84-L522 HydrophobicContact CG-CD1 4.07Å; K84-L522 HydrophobicContact CG-CG 4.19Å; K84-L522 PolarHBondContact NZ-O 2.99Å; P408-L522 HydrophobicContact CG-CD1 4.23Å; V424-L522 HydrophobicContact CG1-CD1 4.33Å; V424-L522 HydrophobicContact CG2-CB 3.94Å; V424-L522 HydrophobicContact CG2-CD1 4.02Å; F518-L522 HydrophobicContact CE1-CD2 3.8Å; F518-L522 HydrophobicContact CZ-CD2 4.08Å; F518-L522 WeakPolarHBondContact O-CB 3.41Å; F518-L522 PolarHBondContact O-N 3.31Å; I519-L522 PolarHBondContact O-N 2.78Å; L520-L522 VanDerWaalsContact C-N 3.28Å; L520-L522 PolarHBondContact O-N 3.22Å |
| 523 | L | 89.9 | Confident | 95.9 | Very high | 46 Ų | 46 | 6.5 Ų | 6.5 | 24% | 0.241 | 3% | 0.034 | C | C | . | . | trans | -61.4 | 0 | 174.2 | -160.8 | 71 | 0 | 0 | 0 | 109.5 | V20 A23 I24 V80 K84 W490 I519 L520 | V20-L523 HydrophobicContact CG1-CD1 4.31Å; V20-L523 HydrophobicContact CG2-CD1 4.39Å; V20-L523 HydrophobicContact CG2-CD2 4.5Å; A23-L523 HydrophobicContact CB-CD1 3.79Å; A23-L523 HydrophobicContact CB-CD2 3.5Å; A23-L523 HydrophobicContact CB-CG 3.7Å; I24-L523 HydrophobicContact CD1-CD1 3.98Å; I24-L523 HydrophobicContact CG1-CD1 4.05Å; V80-L523 HydrophobicContact CG1-CB 4.38Å; V80-L523 HydrophobicContact CG1-CD1 4.27Å; V80-L523 HydrophobicContact CG2-CD1 3.64Å; K84-L523 PolarHBondContact NZ-O 3.05Å; W490-L523 HydrophobicContact CH2-CD2 3.57Å; W490-L523 HydrophobicContact CZ2-CB 4.05Å; W490-L523 HydrophobicContact CZ2-CD2 3.3Å; W490-L523 HydrophobicContact CZ2-CG 4.2Å; I519-L523 PolarHBondContact O-N 3.22Å; I519-L523 VanDerWaalsContact O-N 3.17Å; L520-L523 PolarHBondContact O-N 3.14Å |
Retrieved 523 of 523 residues in 224.6 ms
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