| 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 | 34.9 | Very low | 54.6 | Low | 248 Ų | 248 | 129.2 Ų | 129.2 | 100% | 1.222 | 69% | 0.689 | S | S | * | * | 0 | 100.8 | 0 | -79.9 | 169.5 | 174.7 | 0 | 0 | 106.3 | |||||
| 2 | E | 31.4 | Very low | 56.9 | Low | 185 Ų | 185 | 118.5 Ų | 118.5 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | trans | -70 | 142.6 | 172.9 | -69.4 | 179.4 | 149.2 | 0 | 0 | 108.9 | Q4 | E2-Q4 PolarHBondContact O-N 3.35Å; E2-Q4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | P | 40.3 | Very low | 58.9 | Low | 117 Ų | 117 | 113 Ų | 113 | 76% | 0.76 | 61% | 0.606 | S | S | * | * | trans | -69.8 | 110.3 | 174 | 28.1 | -27.4 | 0 | 0 | 0 | 107.5 | N5 | P3-N5 PolarHBondContact O-N 3.05Å; P3-N5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | Q | 45.5 | Very low | 60.5 | Low | 175 Ų | 175 | 105.1 Ų | 105.1 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | trans | -61.7 | 113.2 | 169.6 | -129 | 173.4 | 3.2 | 0 | 0 | 107.1 | E2 T6 | E2-Q4 PolarHBondContact O-N 3.35Å; E2-Q4 VanDerWaalsContact O-N 3.11Å; Q4-T6 PolarHBondContact O-N 2.94Å; Q4-T6 PolarHBondContact O-OG1 3.15Å | ||
| 5 | N | 42.3 | Very low | 61.7 | Low | 156 Ų | 156 | 103.3 Ų | 103.3 | 83% | 0.834 | 55% | 0.553 | S | S | * | * | trans | -63.8 | 87.2 | 169.1 | -98.4 | -18.7 | 0 | 0 | 0 | 108.1 | P3 T7 | P3-N5 PolarHBondContact O-N 3.05Å; P3-N5 VanDerWaalsContact O-N 3.08Å; N5-T7 VanDerWaalsContact C-N 3.29Å; N5-T7 PolarHBondContact O-N 3.38Å | ||
| 6 | T | 50.8 | Low | 62.5 | Low | 93 Ų | 93 | 97.3 Ų | 97.3 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | trans | -75.2 | 82.8 | 173.9 | 17.2 | 0 | 0 | 0 | 0 | 108.9 | Q4 Q8 C169 | Q4-T6 PolarHBondContact O-N 2.94Å; Q4-T6 PolarHBondContact O-OG1 3.15Å; T6-Q8 PolarHBondContact O-N 3.08Å; T6-Q8 VanDerWaalsContact O-N 3.09Å; T6-C169 HydrophobicContact CG2-CB 3.77Å | ||
| 7 | T | 58.1 | Low | 62.9 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 72% | 0.724 | 51% | 0.505 | S | S | * | . | trans | -64.5 | 108.6 | 164.1 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | N5 V9 | N5-T7 VanDerWaalsContact C-N 3.29Å; N5-T7 PolarHBondContact O-N 3.38Å; T7-V9 PolarHBondContact O-N 2.95Å | ||
| 8 | Q | 63.8 | Low | 63.2 | Low | 147 Ų | 147 | 90.6 Ų | 90.6 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | trans | -59.3 | 128.2 | 176.3 | -170.5 | 177.5 | 7.2 | 0 | 0 | 109.8 | T6 S10 | T6-Q8 PolarHBondContact O-N 3.08Å; T6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-S10 PolarHBondContact O-N 3.22Å; Q8-S10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | V | 72.3 | Confident | 63.5 | Low | 22 Ų | 22 | 95.4 Ų | 95.4 | 13% | 0.133 | 51% | 0.506 | C | S | . | . | trans | -63.4 | 116.2 | 179.6 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | T7 I11 F12 F168 N172 | T7-V9 PolarHBondContact O-N 2.95Å; V9-I11 WeakPolarHBondContact CG1-O 3.48Å; V9-F12 HydrophobicContact CG1-CD1 4.16Å; V9-F12 HydrophobicContact CG1-CE1 3.94Å; V9-F12 HydrophobicContact CG1-CZ 4.29Å; V9-F168 HydrophobicContact CB-CB 4.31Å; V9-F168 HydrophobicContact CG2-CB 4.48Å; V9-F168 WeakPolarHBondContact CG2-O 3.48Å; V9-F168 PolarHBondContact N-O 3.47Å; V9-N172 HydrophobicContact CG1-CB 3.7Å | ||
| 10 | S | 77.4 | Confident | 64.3 | Low | 81 Ų | 81 | 94.7 Ų | 94.7 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | trans | -92.8 | -24.1 | -179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | Q8 Y94 | Q8-S10 PolarHBondContact O-N 3.22Å; Q8-S10 VanDerWaalsContact O-N 3.15Å; S10-Y94 PolarHBondContact O-N 3.39Å | ||
| 11 | I | 83.3 | Confident | 65 | Low | 79 Ų | 79 | 96 Ų | 96 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.7 | -173.5 | -58.1 | 172.5 | 0 | 0 | 0 | 109.5 | V9 T91 N172 | V9-I11 WeakPolarHBondContact CG1-O 3.48Å; I11-T91 HydrophobicContact CG2-CG2 3.91Å; I11-N172 VanDerWaalsContact O-CB 3.26Å; I11-N172 WeakPolarHBondContact O-CB 3.42Å; I11-N172 PolarHBondContact O-ND2 2.97Å |
| 12 | F | 83.3 | Confident | 67.3 | Low | 1 Ų | 1 | 90.3 Ų | 90.3 | 0% | 0.004 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146 | 168.5 | -62.2 | -76.3 | 0 | 0 | 0 | 111.3 | V9 T91 I92 Y94 C97 F168 N172 L174 L187 | V9-F12 HydrophobicContact CG1-CD1 4.16Å; V9-F12 HydrophobicContact CG1-CE1 3.94Å; V9-F12 HydrophobicContact CG1-CZ 4.29Å; F12-T91 CarbonylContact O-C 3.57Å; F12-T91 VanDerWaalsContact O-CA 3.23Å; F12-T91 WeakPolarHBondContact O-CA 3.41Å; F12-I92 HydrophobicContact CB-CG2 3.87Å; F12-I92 PolarHBondContact N-O 3.5Å; F12-I92 PolarHBondContact O-N 3.48Å; F12-Y94 AromaticContact CE2-CD2 3.87Å; F12-Y94 HydrophobicContact CE2-CD2 3.87Å; F12-Y94 HydrophobicContact CZ-CD2 4.23Å; F12-C97 HydrophobicContact CD2-CB 4Å; F12-C97 HydrophobicContact CE2-CB 4.25Å; F12-F168 HydrophobicContact CZ-CG 4.44Å; F12-N172 CarbonylContact C-O 3.5Å; F12-N172 VanDerWaalsContact CA-O 3.29Å; F12-N172 WeakPolarHBondContact CA-O 3.22Å; F12-L174 HydrophobicContact CB-CD1 3.79Å; F12-L174 HydrophobicContact CB-CG 4.47Å; F12-L174 HydrophobicContact CD1-CD1 4.28Å; F12-L174 HydrophobicContact CD1-CG 4.48Å; F12-L174 HydrophobicContact CG-CD1 4.05Å; F12-L187 HydrophobicContact CD1-CD1 4.34Å; F12-L187 HydrophobicContact CE1-CD1 4.24Å |
| 13 | V | 81.9 | Confident | 69.7 | Low | 47 Ų | 47 | 85.1 Ų | 85.1 | 29% | 0.285 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.9 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | K90 T91 N172 I173 L174 | V13-K90 CarbonylContact C-O 3.52Å; V13-K90 WeakPolarHBondContact CA-O 3.33Å; V13-T91 HydrophobicContact CG2-CG2 4.29Å; V13-N172 PolarHBondContact N-O 3.4Å; V13-I173 HydrophobicContact CB-CG1 4.47Å; V13-I173 CarbonylContact O-C 3.47Å; V13-I173 WeakPolarHBondContact O-CA 3.19Å; V13-L174 PolarHBondContact O-N 3.04Å |
| 14 | L | 82.1 | Confident | 71.8 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.2 | 178.9 | -67.5 | 162.5 | 0 | 0 | 0 | 109.4 | G16 D84 K90 I92 L174 N176 | L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 2.99Å; L14-D84 WeakPolarHBondContact CD1-OD2 3.5Å; L14-K90 HydrophobicContact CB-CB 4.19Å; L14-K90 PolarHBondContact N-O 3.42Å; L14-K90 VanDerWaalsContact O-CB 3.26Å; L14-K90 WeakPolarHBondContact O-CB 3.26Å; L14-K90 WeakPolarHBondContact O-CD 2.77Å; L14-I92 HydrophobicContact CD1-CB 4.35Å; L14-I92 HydrophobicContact CD1-CG2 4.08Å; L14-I92 HydrophobicContact CG-CG2 4.27Å; L14-L174 HydrophobicContact CD2-CB 3.95Å; L14-L174 HydrophobicContact CD2-CD1 3.98Å; L14-N176 WeakPolarHBondContact CB-O 3.27Å |
| 15 | L | 78.5 | Confident | 73.7 | Confident | 78 Ų | 78 | 77 Ų | 77 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | trans | -66.4 | -31.3 | -178.4 | -136.4 | 91.6 | 0 | 0 | 0 | 112 | K90 I173 L174 D175 | L15-K90 PolarHBondContact O-NZ 2.85Å; L15-I173 HydrophobicContact CD1-CG2 3.46Å; L15-I173 VanDerWaalsContact CD1-CG2 3.46Å; L15-L174 PolarHBondContact N-O 3.19Å; L15-D175 WeakPolarHBondContact CD2-OD1 3.41Å | ||
| 16 | G | 74.8 | Confident | 75.8 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | trans | 65.4 | -151.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 N176 K269 | L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 2.99Å; G16-N176 PolarHBondContact N-O 2.91Å; G16-K269 PolarHBondContact O-NZ 3.07Å | ||
| 17 | F | 69 | Low | 77.5 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -98.2 | -36 | -167.2 | -68.3 | -76.9 | 0 | 0 | 0 | 116.7 | L27 F31 M81 F85 F177 K269 I273 | F17-L27 HydrophobicContact CB-CD1 3.78Å; F17-L27 HydrophobicContact CG-CD1 4.39Å; F17-F31 HydrophobicContact CE2-CE2 4.39Å; F17-F31 HydrophobicContact CZ-CZ 4.44Å; F17-M81 HydrophobicContact CE2-CG 4Å; F17-M81 HydrophobicContact CE2-SD 3.68Å; F17-M81 HydrophobicContact CZ-SD 4.08Å; F17-F85 HydrophobicContact CB-CE1 4.24Å; F17-F85 AromaticContact CD2-CE1 3.43Å; F17-F85 HydrophobicContact CD2-CE1 3.43Å; F17-F85 VanDerWaalsContact CD2-CE1 3.43Å; F17-F85 AromaticContact CD2-CZ 3.33Å; F17-F85 HydrophobicContact CD2-CZ 3.33Å; F17-F85 HydrophobicContact CE2-CE1 4.19Å; F17-F85 AromaticContact CE2-CZ 3.63Å; F17-F85 HydrophobicContact CE2-CZ 3.63Å; F17-F85 HydrophobicContact CG-CE1 4.23Å; F17-F85 HydrophobicContact CG-CZ 4.34Å; F17-F177 HydrophobicContact CD2-CB 4.34Å; F17-F177 AromaticContact CE1-CD1 3.74Å; F17-F177 HydrophobicContact CE1-CD1 3.74Å; F17-F177 HydrophobicContact CE1-CE1 4.03Å; F17-F177 HydrophobicContact CE2-CB 3.7Å; F17-F177 AromaticContact CE2-CD1 3.58Å; F17-F177 HydrophobicContact CE2-CD1 3.58Å; F17-F177 HydrophobicContact CE2-CD2 4.39Å; F17-F177 HydrophobicContact CE2-CE1 4.3Å; F17-F177 AromaticContact CE2-CG 3.63Å; F17-F177 HydrophobicContact CE2-CG 3.63Å; F17-F177 HydrophobicContact CZ-CB 4.13Å; F17-F177 AromaticContact CZ-CD1 3.07Å; F17-F177 HydrophobicContact CZ-CD1 3.07Å; F17-F177 HydrophobicContact CZ-CD2 4.38Å; F17-F177 AromaticContact CZ-CE1 3.44Å; F17-F177 HydrophobicContact CZ-CE1 3.44Å; F17-F177 VanDerWaalsContact CZ-CE1 3.44Å; F17-F177 AromaticContact CZ-CG 3.61Å; F17-F177 HydrophobicContact CZ-CG 3.61Å; F17-F177 HydrophobicContact CZ-CZ 4.22Å; F17-K269 HydrophobicContact CE1-CB 4.39Å; F17-I273 HydrophobicContact CD1-CD1 4.07Å; F17-I273 HydrophobicContact CE1-CD1 3.18Å; F17-I273 HydrophobicContact CE1-CG1 3.61Å; F17-I273 HydrophobicContact CZ-CD1 3.61Å; F17-I273 HydrophobicContact CZ-CG1 3.57Å |
| 18 | S | 68.7 | Low | 79 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | trans | -151.9 | 154.7 | -177.9 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | T20 Q24 | S18-T20 PolarHBondContact OG-N 2.94Å; S18-T20 PolarHBondContact OG-OG1 3.06Å; S18-Q24 PolarHBondContact O-NE2 3.18Å | ||
| 19 | Q | 67.6 | Low | 80.2 | Confident | 182 Ų | 182 | 67.3 Ų | 67.3 | 85% | 0.85 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -91 | -11.8 | 169.4 | -63.8 | -168.4 | -4.6 | 0 | 0 | 112.9 | ||
| 20 | T | 80.2 | Confident | 81 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | trans | -85 | 122.9 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | S18 E22 L23 Q24 | S18-T20 PolarHBondContact OG-N 2.94Å; S18-T20 PolarHBondContact OG-OG1 3.06Å; T20-E22 PolarHBondContact O-N 3.37Å; T20-L23 PolarHBondContact O-N 2.95Å; T20-L23 VanDerWaalsContact OG1-CB 3.25Å; T20-L23 WeakPolarHBondContact OG1-CB 3.16Å; T20-Q24 PolarHBondContact O-N 3.4Å; T20-Q24 VanDerWaalsContact O-N 3.09Å | ||
| 21 | Q | 79.6 | Confident | 81.6 | Confident | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -39 | -175.3 | -166.9 | 179.7 | 10.6 | 0 | 0 | 113 | L23 Q24 K25 | Q21-L23 PolarHBondContact O-N 3.44Å; Q21-Q24 PolarHBondContact O-N 3.34Å; Q21-K25 WeakPolarHBondContact O-CG 3.49Å; Q21-K25 PolarHBondContact O-N 2.99Å |
| 22 | E | 82.6 | Confident | 82 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 178.1 | -66 | -53.6 | 124.8 | 0 | 0 | 112.4 | T20 K25 F26 | T20-E22 PolarHBondContact O-N 3.37Å; E22-K25 PolarHBondContact O-N 3.35Å; E22-K25 IonicContact OE1-NZ 3.21Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 2.76Å; E22-F26 PolarHBondContact O-N 2.94Å |
| 23 | L | 82.7 | Confident | 82.3 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 40% | 0.398 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 175.6 | -175.1 | 55.7 | 0 | 0 | 0 | 111.4 | T20 Q21 K25 F26 L27 | T20-L23 PolarHBondContact O-N 2.95Å; T20-L23 VanDerWaalsContact OG1-CB 3.25Å; T20-L23 WeakPolarHBondContact OG1-CB 3.16Å; Q21-L23 PolarHBondContact O-N 3.44Å; L23-K25 PolarHBondContact O-N 3.19Å; L23-F26 HydrophobicContact CD1-CD1 4.31Å; L23-F26 PolarHBondContact O-N 2.81Å; L23-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 HydrophobicContact CD1-CG 4.23Å; L23-L27 HydrophobicContact CG-CD1 4.08Å; L23-L27 HydrophobicContact CG-CG 4.32Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.96Å |
| 24 | Q | 83.1 | Confident | 82.7 | Confident | 24 Ų | 24 | 70 Ų | 70 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.7 | -71.9 | 179.5 | -14.8 | 0 | 0 | 112.2 | S18 T20 Q21 L27 F28 F85 | S18-Q24 PolarHBondContact O-NE2 3.18Å; T20-Q24 PolarHBondContact O-N 3.4Å; T20-Q24 VanDerWaalsContact O-N 3.09Å; Q21-Q24 PolarHBondContact O-N 3.34Å; Q24-L27 PolarHBondContact O-N 3.39Å; Q24-F28 WeakPolarHBondContact O-CB 3.2Å; Q24-F28 PolarHBondContact O-N 3.32Å; Q24-F85 HydrophobicContact CB-CD1 4.35Å; Q24-F85 HydrophobicContact CG-CD1 4.42Å |
| 25 | K | 85.8 | Confident | 83.1 | Confident | 98 Ų | 98 | 72.2 Ų | 72.2 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -44 | 174.8 | -68.7 | 172.1 | -171.3 | 161.8 | 0 | 112.1 | Q21 E22 L23 F28 L29 | Q21-K25 WeakPolarHBondContact O-CG 3.49Å; Q21-K25 PolarHBondContact O-N 2.99Å; E22-K25 PolarHBondContact O-N 3.35Å; E22-K25 IonicContact OE1-NZ 3.21Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 2.76Å; L23-K25 PolarHBondContact O-N 3.19Å; K25-F28 WeakPolarHBondContact O-CB 3.24Å; K25-F28 PolarHBondContact O-N 2.91Å; K25-L29 PolarHBondContact O-N 3.49Å; K25-L29 VanDerWaalsContact O-N 3.14Å |
| 26 | F | 87.1 | Confident | 83.7 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 55% | 0.548 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 176 | 173.8 | -97.5 | 0 | 0 | 0 | 111.7 | E22 L23 F28 L29 L30 | E22-F26 PolarHBondContact O-N 2.94Å; L23-F26 HydrophobicContact CD1-CD1 4.31Å; L23-F26 PolarHBondContact O-N 2.81Å; F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 PolarHBondContact O-N 3.37Å; F26-L29 PolarHBondContact O-N 3.17Å; F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 PolarHBondContact O-N 3.45Å |
| 27 | L | 86 | Confident | 84.5 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 177.6 | -69.4 | 175.3 | 0 | 0 | 0 | 111.5 | F17 L23 Q24 L29 L30 F31 F85 | F17-L27 HydrophobicContact CB-CD1 3.78Å; F17-L27 HydrophobicContact CG-CD1 4.39Å; L23-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 HydrophobicContact CD1-CG 4.23Å; L23-L27 HydrophobicContact CG-CD1 4.08Å; L23-L27 HydrophobicContact CG-CG 4.32Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.96Å; Q24-L27 PolarHBondContact O-N 3.39Å; L27-L29 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 2.94Å; L27-F31 HydrophobicContact CB-CD2 4.17Å; L27-F31 HydrophobicContact CB-CE2 4.31Å; L27-F31 HydrophobicContact CD2-CE2 4.1Å; L27-F31 WeakPolarHBondContact O-CB 3.09Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 3.41Å; L27-F85 HydrophobicContact CB-CD1 4.29Å; L27-F85 HydrophobicContact CB-CE1 3.76Å; L27-F85 HydrophobicContact CB-CE2 4.37Å; L27-F85 HydrophobicContact CB-CZ 3.83Å; L27-F85 HydrophobicContact CD1-CE1 3.99Å; L27-F85 HydrophobicContact CD1-CZ 4.45Å |
| 28 | F | 88.5 | Confident | 85.5 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 18% | 0.18 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.6 | -51.3 | 173.9 | 174.3 | -97.1 | 0 | 0 | 0 | 111.6 | Q24 K25 F26 L30 F31 L32 L82 F85 L86 | Q24-F28 WeakPolarHBondContact O-CB 3.2Å; Q24-F28 PolarHBondContact O-N 3.32Å; K25-F28 WeakPolarHBondContact O-CB 3.24Å; K25-F28 PolarHBondContact O-N 2.91Å; F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 PolarHBondContact O-N 3.37Å; F28-L30 VanDerWaalsContact C-N 3.35Å; F28-L30 PolarHBondContact O-N 3.08Å; F28-F31 PolarHBondContact O-N 3.24Å; F28-L32 HydrophobicContact CE1-CD2 3.99Å; F28-L32 HydrophobicContact CZ-CD2 4.18Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.02Å; F28-L82 HydrophobicContact CD2-CB 4.34Å; F28-L82 HydrophobicContact CD2-CD2 3.89Å; F28-L82 WeakPolarHBondContact CD2-O 3.42Å; F28-L82 HydrophobicContact CE2-CB 4.12Å; F28-L82 HydrophobicContact CE2-CD2 4.12Å; F28-F85 HydrophobicContact CB-CB 3.85Å; F28-F85 HydrophobicContact CB-CD2 4.25Å; F28-F85 HydrophobicContact CB-CG 4.29Å; F28-F85 HydrophobicContact CD2-CB 4.14Å; F28-F85 HydrophobicContact CG-CB 4.47Å; F28-L86 HydrophobicContact CD1-CD2 4.2Å; F28-L86 HydrophobicContact CD2-CD1 4.23Å; F28-L86 HydrophobicContact CD2-CD2 3.84Å; F28-L86 HydrophobicContact CD2-CG 3.84Å; F28-L86 HydrophobicContact CE1-CD2 4.31Å; F28-L86 HydrophobicContact CE2-CD1 3.58Å; F28-L86 HydrophobicContact CE2-CD2 3.95Å; F28-L86 HydrophobicContact CE2-CG 3.73Å; F28-L86 HydrophobicContact CG-CD2 3.97Å; F28-L86 HydrophobicContact CG-CG 4.47Å; F28-L86 HydrophobicContact CZ-CD1 3.85Å; F28-L86 HydrophobicContact CZ-CD2 4.19Å; F28-L86 HydrophobicContact CZ-CG 4.28Å |
| 29 | L | 90.4 | Very high | 86.7 | Confident | 114 Ų | 114 | 72.1 Ų | 72.1 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 179.2 | -68.6 | 174.7 | 0 | 0 | 0 | 111.9 | K25 F26 L27 L32 F33 | K25-L29 PolarHBondContact O-N 3.49Å; K25-L29 VanDerWaalsContact O-N 3.14Å; F26-L29 PolarHBondContact O-N 3.17Å; L27-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.08Å; L29-F33 WeakPolarHBondContact O-CB 3.29Å; L29-F33 PolarHBondContact O-N 3.48Å |
| 30 | L | 89.1 | Confident | 87.9 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 178.1 | 178.8 | 65.5 | 0 | 0 | 0 | 111.5 | F26 L27 F28 L32 F33 V34 | F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 2.94Å; F28-L30 VanDerWaalsContact C-N 3.35Å; F28-L30 PolarHBondContact O-N 3.08Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.18Å; L30-F33 WeakPolarHBondContact O-CB 3.39Å; L30-F33 PolarHBondContact O-N 3.01Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.24Å |
| 31 | F | 88.4 | Confident | 88.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.1 | -29.3 | -178.6 | -76.4 | -63.7 | 0 | 0 | 0 | 112.8 | F17 L27 F28 V34 Y35 M81 L82 F85 I273 V277 M278 | F17-F31 HydrophobicContact CE2-CE2 4.39Å; F17-F31 HydrophobicContact CZ-CZ 4.44Å; L27-F31 HydrophobicContact CB-CD2 4.17Å; L27-F31 HydrophobicContact CB-CE2 4.31Å; L27-F31 HydrophobicContact CD2-CE2 4.1Å; L27-F31 WeakPolarHBondContact O-CB 3.09Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 3.41Å; F28-F31 PolarHBondContact O-N 3.24Å; F31-V34 PolarHBondContact O-N 3.09Å; F31-Y35 WeakPolarHBondContact O-CB 3.49Å; F31-Y35 PolarHBondContact O-N 3.09Å; F31-M81 HydrophobicContact CB-CE 3.74Å; F31-M81 HydrophobicContact CD1-CE 3.51Å; F31-M81 HydrophobicContact CD1-SD 4.46Å; F31-M81 HydrophobicContact CD2-CE 4.13Å; F31-M81 HydrophobicContact CE1-CE 4.08Å; F31-M81 HydrophobicContact CG-CE 3.53Å; F31-M81 HydrophobicContact CG-SD 4.47Å; F31-L82 HydrophobicContact CB-CD2 3.83Å; F31-F85 HydrophobicContact CB-CE2 4.26Å; F31-F85 AromaticContact CD2-CE2 3.46Å; F31-F85 HydrophobicContact CD2-CE2 3.46Å; F31-F85 VanDerWaalsContact CD2-CE2 3.46Å; F31-F85 AromaticContact CD2-CZ 3.57Å; F31-F85 HydrophobicContact CD2-CZ 3.57Å; F31-F85 HydrophobicContact CE2-CE2 4.17Å; F31-F85 AromaticContact CE2-CZ 3.82Å; F31-F85 HydrophobicContact CE2-CZ 3.82Å; F31-F85 HydrophobicContact CG-CE2 4.16Å; F31-I273 HydrophobicContact CE1-CG1 4.47Å; F31-I273 HydrophobicContact CE1-CG2 3.85Å; F31-I273 HydrophobicContact CZ-CD1 3.92Å; F31-I273 HydrophobicContact CZ-CG1 4.08Å; F31-I273 HydrophobicContact CZ-CG2 4.06Å; F31-V277 HydrophobicContact CD1-CG1 3.85Å; F31-V277 HydrophobicContact CE1-CG1 3.95Å; F31-M278 HydrophobicContact CE1-CE 4.35Å |
| 32 | L | 91.8 | Very high | 89 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 172.8 | 178.4 | 64.4 | 0 | 0 | 0 | 110.1 | F28 L29 L30 V34 Y35 V36 L82 | F28-L32 HydrophobicContact CE1-CD2 3.99Å; F28-L32 HydrophobicContact CZ-CD2 4.18Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 3.08Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.18Å; L32-V34 PolarHBondContact O-N 2.92Å; L32-Y35 PolarHBondContact O-N 3.03Å; L32-V36 HydrophobicContact CD1-CG2 4.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.08Å; L32-L82 HydrophobicContact CB-CD2 4.06Å; L32-L82 HydrophobicContact CD1-CD1 4.14Å |
| 33 | F | 90.8 | Very high | 89.5 | Confident | 138 Ų | 138 | 56.1 Ų | 56.1 | 61% | 0.605 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | 174.6 | 176.2 | -96.7 | 0 | 0 | 0 | 111.6 | L29 L30 Y35 V36 T37 | L29-F33 WeakPolarHBondContact O-CB 3.29Å; L29-F33 PolarHBondContact O-N 3.48Å; L30-F33 WeakPolarHBondContact O-CB 3.39Å; L30-F33 PolarHBondContact O-N 3.01Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-Y35 PolarHBondContact O-N 3.34Å; F33-V36 PolarHBondContact O-N 3.43Å; F33-T37 HydrophobicContact CD1-CG2 4.34Å; F33-T37 HydrophobicContact CD2-CG2 4.32Å; F33-T37 HydrophobicContact CE1-CG2 3.93Å; F33-T37 HydrophobicContact CE2-CG2 3.9Å; F33-T37 HydrophobicContact CZ-CG2 3.69Å; F33-T37 WeakPolarHBondContact O-CB 3.31Å; F33-T37 WeakPolarHBondContact O-CG2 3.4Å; F33-T37 PolarHBondContact O-N 2.93Å; F33-T37 PolarHBondContact O-OG1 3.39Å |
| 34 | V | 89.6 | Confident | 90 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L30 F31 L32 T37 T38 V277 M278 M281 | L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.24Å; F31-V34 PolarHBondContact O-N 3.09Å; L32-V34 PolarHBondContact O-N 2.92Å; V34-T37 WeakPolarHBondContact CA-OG1 3.37Å; V34-T37 PolarHBondContact O-OG1 2.89Å; V34-T38 VanDerWaalsContact O-CB 3.32Å; V34-T38 WeakPolarHBondContact O-CB 3.29Å; V34-T38 PolarHBondContact O-N 2.9Å; V34-T38 PolarHBondContact O-OG1 3.32Å; V34-V277 HydrophobicContact CB-CG1 4.38Å; V34-V277 HydrophobicContact CG1-CG1 3.5Å; V34-M278 HydrophobicContact CG2-CE 4.41Å; V34-M281 HydrophobicContact CB-SD 4.29Å; V34-M281 HydrophobicContact CG1-CB 4.01Å; V34-M281 HydrophobicContact CG1-CG 4.04Å; V34-M281 HydrophobicContact CG1-SD 3.75Å; V34-M281 HydrophobicContact CG2-SD 3.99Å |
| 35 | Y | 91 | Very high | 90.4 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -50.3 | 177.9 | 178.5 | -115 | 0 | 0 | 0 | 111.8 | F31 L32 F33 T37 T38 I39 T75 P79 L82 | F31-Y35 WeakPolarHBondContact O-CB 3.49Å; F31-Y35 PolarHBondContact O-N 3.09Å; L32-Y35 PolarHBondContact O-N 3.03Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-Y35 PolarHBondContact O-N 3.34Å; Y35-T37 PolarHBondContact O-N 3.29Å; Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.69Å; Y35-I39 HydrophobicContact CD2-CD1 4.49Å; Y35-I39 HydrophobicContact CD2-CG1 4.15Å; Y35-I39 HydrophobicContact CE1-CG1 4.15Å; Y35-I39 HydrophobicContact CE2-CD1 3.76Å; Y35-I39 HydrophobicContact CE2-CG1 3.75Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 2.86Å; Y35-T75 PolarHBondContact OH-OG1 3.42Å; Y35-P79 HydrophobicContact CE2-CG 4.29Å; Y35-L82 HydrophobicContact CD1-CD1 4.19Å; Y35-L82 HydrophobicContact CG-CD1 4.29Å |
| 36 | V | 92.1 | Very high | 90.8 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 179.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | L32 F33 T38 I39 V40 | L32-V36 HydrophobicContact CD1-CG2 4.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.08Å; F33-V36 PolarHBondContact O-N 3.43Å; V36-T38 VanDerWaalsContact C-N 3.3Å; V36-T38 PolarHBondContact O-N 3.1Å; V36-I39 PolarHBondContact O-N 3.35Å; V36-V40 HydrophobicContact CG1-CG2 4.22Å; V36-V40 WeakPolarHBondContact O-CB 3.22Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.28Å |
| 37 | T | 90.1 | Very high | 91 | Very high | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | F33 V34 Y35 G41 | F33-T37 HydrophobicContact CD1-CG2 4.34Å; F33-T37 HydrophobicContact CD2-CG2 4.32Å; F33-T37 HydrophobicContact CE1-CG2 3.93Å; F33-T37 HydrophobicContact CE2-CG2 3.9Å; F33-T37 HydrophobicContact CZ-CG2 3.69Å; F33-T37 WeakPolarHBondContact O-CB 3.31Å; F33-T37 WeakPolarHBondContact O-CG2 3.4Å; F33-T37 PolarHBondContact O-N 2.93Å; F33-T37 PolarHBondContact O-OG1 3.39Å; V34-T37 WeakPolarHBondContact CA-OG1 3.37Å; V34-T37 PolarHBondContact O-OG1 2.89Å; Y35-T37 PolarHBondContact O-N 3.29Å; T37-G41 PolarHBondContact O-N 2.84Å |
| 38 | T | 91 | Very high | 91.3 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | V34 Y35 V36 G41 N42 S74 P280 M281 | V34-T38 VanDerWaalsContact O-CB 3.32Å; V34-T38 WeakPolarHBondContact O-CB 3.29Å; V34-T38 PolarHBondContact O-N 2.9Å; V34-T38 PolarHBondContact O-OG1 3.32Å; Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.69Å; V36-T38 VanDerWaalsContact C-N 3.3Å; V36-T38 PolarHBondContact O-N 3.1Å; T38-G41 PolarHBondContact O-N 3.31Å; T38-N42 WeakPolarHBondContact O-CB 3.41Å; T38-N42 PolarHBondContact O-N 3.49Å; T38-N42 PolarHBondContact O-ND2 3.35Å; T38-S74 VanDerWaalsContact CG2-OG 3.25Å; T38-S74 WeakPolarHBondContact CG2-OG 3.3Å; T38-P280 HydrophobicContact CG2-CB 3.9Å; T38-M281 VanDerWaalsContact OG1-CA 3.31Å; T38-M281 WeakPolarHBondContact OG1-CA 3.34Å; T38-M281 VanDerWaalsContact OG1-CB 3.28Å; T38-M281 WeakPolarHBondContact OG1-CB 3.19Å |
| 39 | I | 93 | Very high | 91.4 | Very high | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 177.7 | -64.4 | -61.3 | 0 | 0 | 0 | 110.1 | Y35 V36 G41 N42 L43 L71 | Y35-I39 HydrophobicContact CD2-CD1 4.49Å; Y35-I39 HydrophobicContact CD2-CG1 4.15Å; Y35-I39 HydrophobicContact CE1-CG1 4.15Å; Y35-I39 HydrophobicContact CE2-CD1 3.76Å; Y35-I39 HydrophobicContact CE2-CG1 3.75Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 2.86Å; V36-I39 PolarHBondContact O-N 3.35Å; I39-G41 PolarHBondContact O-N 2.76Å; I39-N42 PolarHBondContact O-N 2.82Å; I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.31Å; I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 VanDerWaalsContact O-CG 3.24Å; I39-L43 WeakPolarHBondContact O-CG 3.34Å; I39-L43 PolarHBondContact O-N 2.88Å; I39-L71 HydrophobicContact CD1-CD1 4.49Å; I39-L71 HydrophobicContact CD1-CD2 4.3Å; I39-L71 HydrophobicContact CD1-CG 3.79Å |
| 40 | V | 92.2 | Very high | 91.4 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | -179.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V36 L43 L44 | V36-V40 HydrophobicContact CG1-CG2 4.22Å; V36-V40 WeakPolarHBondContact O-CB 3.22Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.35Å; V36-V40 PolarHBondContact O-N 3.28Å; V40-L43 PolarHBondContact O-N 2.76Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.96Å |
| 41 | G | 91.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | T37 T38 I39 L44 I45 | T37-G41 PolarHBondContact O-N 2.84Å; T38-G41 PolarHBondContact O-N 3.31Å; I39-G41 PolarHBondContact O-N 2.76Å; G41-L44 PolarHBondContact O-N 3.47Å; G41-I45 PolarHBondContact O-N 3.06Å; G41-I45 VanDerWaalsContact O-N 3.14Å |
| 42 | N | 93.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70 | -40.3 | 178.8 | -77.6 | -65.9 | 0 | 0 | 0 | 112.3 | T38 I39 L44 I45 M46 A67 L71 P284 | T38-N42 WeakPolarHBondContact O-CB 3.41Å; T38-N42 PolarHBondContact O-N 3.49Å; T38-N42 PolarHBondContact O-ND2 3.35Å; I39-N42 PolarHBondContact O-N 2.82Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 3.3Å; N42-I45 WeakPolarHBondContact O-CB 3.35Å; N42-I45 PolarHBondContact O-N 2.95Å; N42-M46 WeakPolarHBondContact O-CG 3.49Å; N42-M46 PolarHBondContact O-N 3.23Å; N42-A67 HydrophobicContact CB-CB 4.2Å; N42-A67 WeakPolarHBondContact OD1-CA 3.32Å; N42-L71 HydrophobicContact CB-CB 4.36Å; N42-P284 HydrophobicContact CB-CG 4.49Å; N42-P284 VanDerWaalsContact ND2-CG 3.32Å; N42-P284 WeakPolarHBondContact ND2-CG 3.37Å; N42-P284 WeakPolarHBondContact OD1-CG 3.43Å |
| 43 | L | 93.3 | Very high | 91.1 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 172.9 | -73.5 | 174.8 | 0 | 0 | 0 | 111.6 | I39 V40 I45 M46 V47 L71 | I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.31Å; I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 VanDerWaalsContact O-CG 3.24Å; I39-L43 WeakPolarHBondContact O-CG 3.34Å; I39-L43 PolarHBondContact O-N 2.88Å; V40-L43 PolarHBondContact O-N 2.76Å; L43-I45 VanDerWaalsContact C-N 3.31Å; L43-I45 PolarHBondContact O-N 3.2Å; L43-M46 PolarHBondContact O-N 2.92Å; L43-M46 VanDerWaalsContact O-N 3.15Å; L43-V47 WeakPolarHBondContact O-CB 3.24Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 2.77Å; L43-L71 HydrophobicContact CD2-CD1 3.68Å; L43-L71 HydrophobicContact CG-CD1 3.84Å |
| 44 | L | 91.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 178.2 | -175.5 | 58 | 0 | 0 | 0 | 112 | V40 G41 N42 T48 M298 | V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.96Å; G41-L44 PolarHBondContact O-N 3.47Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 3.3Å; L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.22Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 3.23Å; L44-M298 HydrophobicContact CD1-CE 4.24Å; L44-M298 HydrophobicContact CD2-CE 3.26Å; L44-M298 HydrophobicContact CG-CE 3.76Å |
| 45 | I | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 171.7 | -71.5 | 168 | 0 | 0 | 0 | 110.4 | G41 N42 L43 V47 T48 V49 L63 A67 P284 T288 M294 | G41-I45 PolarHBondContact O-N 3.06Å; G41-I45 VanDerWaalsContact O-N 3.14Å; N42-I45 WeakPolarHBondContact O-CB 3.35Å; N42-I45 PolarHBondContact O-N 2.95Å; L43-I45 VanDerWaalsContact C-N 3.31Å; L43-I45 PolarHBondContact O-N 3.2Å; I45-V47 PolarHBondContact O-N 3.38Å; I45-T48 PolarHBondContact O-N 3.25Å; I45-V49 HydrophobicContact CG2-CG2 4.27Å; I45-V49 WeakPolarHBondContact O-CB 3.37Å; I45-V49 VanDerWaalsContact O-CG2 3.3Å; I45-V49 WeakPolarHBondContact O-CG2 3.23Å; I45-V49 PolarHBondContact O-N 3Å; I45-L63 HydrophobicContact CG2-CD2 4.12Å; I45-L63 HydrophobicContact CG2-CG 3.99Å; I45-A67 HydrophobicContact CB-CB 4.23Å; I45-A67 HydrophobicContact CG2-CB 3.95Å; I45-P284 HydrophobicContact CD1-CB 3.83Å; I45-P284 HydrophobicContact CD1-CG 4.31Å; I45-T288 HydrophobicContact CD1-CG2 4.01Å; I45-T288 HydrophobicContact CG1-CG2 3.62Å; I45-M294 HydrophobicContact CG2-CE 4.47Å |
| 46 | M | 93.7 | Very high | 90.5 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | -178.1 | -69.5 | 174.5 | 64.1 | 0 | 0 | 112.1 | N42 L43 T50 R64 A67 L68 | N42-M46 WeakPolarHBondContact O-CG 3.49Å; N42-M46 PolarHBondContact O-N 3.23Å; L43-M46 PolarHBondContact O-N 2.92Å; L43-M46 VanDerWaalsContact O-N 3.15Å; M46-T50 VanDerWaalsContact O-CB 3.27Å; M46-T50 WeakPolarHBondContact O-CB 3.47Å; M46-T50 PolarHBondContact O-N 3.31Å; M46-T50 VanDerWaalsContact O-N 3.08Å; M46-T50 PolarHBondContact O-OG1 2.93Å; M46-R64 HydrophobicContact CB-CG 4.39Å; M46-R64 HydrophobicContact CG-CG 4.16Å; M46-A67 HydrophobicContact CG-CB 4Å; M46-L68 HydrophobicContact CE-CB 4.47Å; M46-L68 HydrophobicContact CE-CD1 4.23Å; M46-L68 HydrophobicContact SD-CB 4.37Å |
| 47 | V | 91.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | L43 I45 V49 T50 F51 L301 | L43-V47 WeakPolarHBondContact O-CB 3.24Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 2.77Å; I45-V47 PolarHBondContact O-N 3.38Å; V47-V49 PolarHBondContact O-N 3.43Å; V47-T50 PolarHBondContact O-N 3.45Å; V47-T50 VanDerWaalsContact O-N 3.1Å; V47-F51 HydrophobicContact CB-CD2 4.42Å; V47-F51 HydrophobicContact CG1-CD2 3.62Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 WeakPolarHBondContact O-CD2 3.27Å; V47-F51 PolarHBondContact O-N 3.41Å; V47-L301 HydrophobicContact CG1-CD2 3.84Å |
| 48 | T | 91.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 112 | L44 I45 T50 D52 L55 M294 A297 M298 | L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.22Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 PolarHBondContact O-OG1 3.23Å; I45-T48 PolarHBondContact O-N 3.25Å; T48-T50 VanDerWaalsContact C-N 3.29Å; T48-T50 PolarHBondContact O-N 2.65Å; T48-D52 VanDerWaalsContact O-CB 3.29Å; T48-D52 WeakPolarHBondContact O-CB 3.22Å; T48-D52 PolarHBondContact O-N 3.31Å; T48-L55 HydrophobicContact CG2-CD1 3.86Å; T48-M294 HydrophobicContact CG2-SD 3.69Å; T48-A297 HydrophobicContact CG2-CB 3.55Å; T48-M298 HydrophobicContact CG2-CG 3.79Å |
| 49 | V | 91.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.8 | -30.7 | 179 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | I45 V47 L55 H56 R64 M294 | I45-V49 HydrophobicContact CG2-CG2 4.27Å; I45-V49 WeakPolarHBondContact O-CB 3.37Å; I45-V49 VanDerWaalsContact O-CG2 3.3Å; I45-V49 WeakPolarHBondContact O-CG2 3.23Å; I45-V49 PolarHBondContact O-N 3Å; V47-V49 PolarHBondContact O-N 3.43Å; V49-L55 HydrophobicContact CG2-CD1 4.17Å; V49-H56 PolarHBondContact O-CD2 3.43Å; V49-R64 HydrophobicContact CB-CB 4.39Å; V49-R64 HydrophobicContact CG1-CB 4.06Å; V49-M294 HydrophobicContact CG2-CE 3.77Å |
| 50 | T | 90.6 | Very high | 89.9 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79.3 | -33.4 | -178.3 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | M46 V47 T48 | M46-T50 VanDerWaalsContact O-CB 3.27Å; M46-T50 WeakPolarHBondContact O-CB 3.47Å; M46-T50 PolarHBondContact O-N 3.31Å; M46-T50 VanDerWaalsContact O-N 3.08Å; M46-T50 PolarHBondContact O-OG1 2.93Å; V47-T50 PolarHBondContact O-N 3.45Å; V47-T50 VanDerWaalsContact O-N 3.1Å; T48-T50 VanDerWaalsContact C-N 3.29Å; T48-T50 PolarHBondContact O-N 2.65Å |
| 51 | F | 88.6 | Confident | 89.9 | Confident | 140 Ų | 140 | 47 Ų | 47 | 61% | 0.614 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -97.8 | -18 | -176.4 | -69.5 | -70.4 | 0 | 0 | 0 | 114.4 | V47 L301 | V47-F51 HydrophobicContact CB-CD2 4.42Å; V47-F51 HydrophobicContact CG1-CD2 3.62Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 WeakPolarHBondContact O-CD2 3.27Å; V47-F51 PolarHBondContact O-N 3.41Å; F51-L301 HydrophobicContact CB-CD1 3.9Å |
| 52 | D | 89.3 | Confident | 89.9 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | trans | -98.9 | 104.3 | 177.9 | -166.3 | -63 | 0 | 0 | 0 | 111.6 | T48 Q54 L55 A297 R300 | T48-D52 VanDerWaalsContact O-CB 3.29Å; T48-D52 WeakPolarHBondContact O-CB 3.22Å; T48-D52 PolarHBondContact O-N 3.31Å; D52-Q54 PolarHBondContact O-N 2.89Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.5Å; D52-Q54 PolarHBondContact OD1-N 3.06Å; D52-L55 HydrophobicContact CB-CD1 4.22Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 WeakPolarHBondContact O-CB 3.5Å; D52-L55 PolarHBondContact O-N 2.97Å; D52-A297 HydrophobicContact CB-CB 3.94Å; D52-A297 VanDerWaalsContact OD2-CA 3.3Å; D52-A297 WeakPolarHBondContact OD2-CA 2.89Å; D52-A297 VanDerWaalsContact OD2-CB 3.31Å; D52-A297 WeakPolarHBondContact OD2-CB 3.17Å; D52-R300 VanDerWaalsContact CG-NH2 3.27Å; D52-R300 IonicContact OD1-CZ 2.72Å; D52-R300 IonicContact OD1-NH2 3.46Å; D52-R300 PolarHBondContact OD1-NH2 3.41Å; D52-R300 VanDerWaalsContact OD1-NH2 3.07Å; D52-R300 IonicContact OD2-CZ 2.7Å; D52-R300 IonicContact OD2-NE 2.8Å; D52-R300 PolarHBondContact OD2-NE 2.92Å; D52-R300 IonicContact OD2-NH2 3.49Å; D52-R300 PolarHBondContact OD2-NH2 3.2Å | ||
| 53 | C | 85.9 | Confident | 89.8 | Confident | 99 Ų | 99 | 46.3 Ų | 46.3 | 67% | 0.669 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -58.3 | -22.4 | 179.7 | -61.1 | 0 | 0 | 0 | 0 | 114 | L55 H56 | C53-L55 PolarHBondContact O-N 2.95Å; C53-H56 WeakPolarHBondContact O-CB 3.24Å; C53-H56 PolarHBondContact O-N 3.42Å |
| 54 | Q | 85.5 | Confident | 89.8 | Confident | 132 Ų | 132 | 46.3 Ų | 46.3 | 62% | 0.617 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -74 | -14.2 | 177.6 | -50.3 | -174.1 | -4.8 | 0 | 0 | 112.3 | D52 | D52-Q54 PolarHBondContact O-N 2.89Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.5Å; D52-Q54 PolarHBondContact OD1-N 3.06Å |
| 55 | L | 86 | Confident | 89.9 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -95.1 | 2.2 | 175.7 | -62.3 | -177.2 | 0 | 0 | 0 | 113.3 | T48 V49 D52 C53 T57 Y60 D293 M294 A297 | T48-L55 HydrophobicContact CG2-CD1 3.86Å; V49-L55 HydrophobicContact CG2-CD1 4.17Å; D52-L55 HydrophobicContact CB-CD1 4.22Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 WeakPolarHBondContact O-CB 3.5Å; D52-L55 PolarHBondContact O-N 2.97Å; C53-L55 PolarHBondContact O-N 2.95Å; L55-T57 PolarHBondContact O-N 2.9Å; L55-Y60 HydrophobicContact CB-CD2 3.99Å; L55-Y60 HydrophobicContact CB-CG 4.23Å; L55-Y60 HydrophobicContact CD2-CD1 4.22Å; L55-Y60 HydrophobicContact CD2-CD2 3.77Å; L55-Y60 HydrophobicContact CD2-CE1 4Å; L55-Y60 HydrophobicContact CD2-CE2 3.54Å; L55-Y60 HydrophobicContact CD2-CG 4.15Å; L55-Y60 HydrophobicContact CG-CD2 4.46Å; L55-Y60 WeakPolarHBondContact O-CD2 3.38Å; L55-D293 HydrophobicContact CD2-CB 4.1Å; L55-M294 HydrophobicContact CD1-CE 4.12Å; L55-M294 HydrophobicContact CD1-SD 4.04Å; L55-A297 HydrophobicContact CD1-CB 3.49Å; L55-A297 VanDerWaalsContact CD1-CB 3.49Å; L55-A297 HydrophobicContact CD2-CB 4.38Å; L55-A297 HydrophobicContact CG-CB 3.94Å |
| 56 | H | 85.7 | Confident | 89.9 | Confident | 119 Ų | 119 | 44.1 Ų | 44.1 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | trans | -74.1 | 55.4 | 177.3 | -67.2 | -178.7 | 0 | 0 | 0 | 112.4 | V49 C53 | V49-H56 PolarHBondContact O-CD2 3.43Å; C53-H56 WeakPolarHBondContact O-CB 3.24Å; C53-H56 PolarHBondContact O-N 3.42Å | ||
| 57 | T | 87.3 | Confident | 89.9 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 34% | 0.344 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -109.9 | 159.6 | 172 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | L55 M59 Y60 F61 | L55-T57 PolarHBondContact O-N 2.9Å; T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 3.05Å; T57-Y60 VanDerWaalsContact O-CA 3.22Å; T57-Y60 WeakPolarHBondContact O-CA 3.47Å; T57-Y60 PolarHBondContact O-N 2.89Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.42Å; T57-F61 PolarHBondContact O-N 3.26Å |
| 58 | P | 88.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 16% | 0.156 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -49.1 | -44.2 | 176.9 | -34 | 39.7 | 0 | 0 | 0 | 114.1 | F61 L62 M136 C141 | P58-F61 WeakPolarHBondContact O-CB 3.45Å; P58-F61 PolarHBondContact O-N 2.66Å; P58-L62 WeakPolarHBondContact O-CG 3.3Å; P58-L62 PolarHBondContact O-N 3.44Å; P58-M136 HydrophobicContact CB-CB 4.23Å; P58-M136 HydrophobicContact CB-CE 3.94Å; P58-M136 HydrophobicContact CG-CB 3.98Å; P58-M136 WeakPolarHBondContact CG-O 3.11Å; P58-C141 VanDerWaalsContact CB-SG 3.57Å |
| 59 | M | 89.6 | Confident | 90 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.6 | -173 | -115.3 | -172.7 | 0 | 0 | 112.8 | T57 F61 L62 L63 M118 R122 T239 | T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 3.05Å; M59-F61 PolarHBondContact O-N 3.14Å; M59-L62 PolarHBondContact O-N 3.43Å; M59-L63 WeakPolarHBondContact O-CB 3.21Å; M59-L63 PolarHBondContact O-N 2.97Å; M59-M118 HydrophobicContact CE-CE 4.17Å; M59-M118 HydrophobicContact CG-CE 4.48Å; M59-R122 VanDerWaalsContact CG-CZ 3.44Å; M59-R122 VanDerWaalsContact CG-NH2 3.34Å; M59-R122 PolarHBondContact SD-NH2 2.86Å; M59-T239 HydrophobicContact CE-CG2 4.23Å |
| 60 | Y | 89.4 | Confident | 90 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -35 | -63.2 | 159.9 | 32.8 | -134.7 | 0 | 0 | 0 | 113.5 | L55 T57 L62 L63 R64 N291 D293 M294 | L55-Y60 HydrophobicContact CB-CD2 3.99Å; L55-Y60 HydrophobicContact CB-CG 4.23Å; L55-Y60 HydrophobicContact CD2-CD1 4.22Å; L55-Y60 HydrophobicContact CD2-CD2 3.77Å; L55-Y60 HydrophobicContact CD2-CE1 4Å; L55-Y60 HydrophobicContact CD2-CE2 3.54Å; L55-Y60 HydrophobicContact CD2-CG 4.15Å; L55-Y60 HydrophobicContact CG-CD2 4.46Å; L55-Y60 WeakPolarHBondContact O-CD2 3.38Å; T57-Y60 VanDerWaalsContact O-CA 3.22Å; T57-Y60 WeakPolarHBondContact O-CA 3.47Å; T57-Y60 PolarHBondContact O-N 2.89Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.42Å; Y60-L62 PolarHBondContact O-N 3.22Å; Y60-L63 HydrophobicContact CD1-CD2 3.86Å; Y60-L63 PolarHBondContact O-N 3.15Å; Y60-R64 PolarHBondContact O-N 3.36Å; Y60-N291 WeakPolarHBondContact CE1-ND2 3.26Å; Y60-N291 PolarHBondContact OH-ND2 3.05Å; Y60-N291 PolarHBondContact OH-OD1 3.01Å; Y60-D293 WeakPolarHBondContact OH-CB 3.47Å; Y60-D293 PolarHBondContact OH-OD2 3.42Å; Y60-M294 HydrophobicContact CD1-CE 3.81Å; Y60-M294 HydrophobicContact CE1-CE 4.15Å |
| 61 | F | 91 | Very high | 90.1 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 25% | 0.25 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -175.5 | 179.3 | -103.4 | 0 | 0 | 0 | 112.6 | T57 P58 M59 R64 N65 C141 V142 V145 | T57-F61 PolarHBondContact O-N 3.26Å; P58-F61 WeakPolarHBondContact O-CB 3.45Å; P58-F61 PolarHBondContact O-N 2.66Å; M59-F61 PolarHBondContact O-N 3.14Å; F61-R64 PolarHBondContact O-N 3.25Å; F61-N65 PolarHBondContact O-N 3.37Å; F61-N65 PolarHBondContact O-ND2 2.9Å; F61-C141 HydrophobicContact CD1-CB 4.04Å; F61-C141 HydrophobicContact CE1-CB 4.21Å; F61-V142 HydrophobicContact CE1-CG2 4.43Å; F61-V142 HydrophobicContact CZ-CG2 4.18Å; F61-V145 HydrophobicContact CD1-CG2 4.24Å; F61-V145 HydrophobicContact CE1-CB 4.48Å; F61-V145 HydrophobicContact CE1-CG2 3.63Å; F61-V145 HydrophobicContact CZ-CG2 4.45Å |
| 62 | L | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.2 | -67.8 | 168.9 | 0 | 0 | 0 | 111.6 | P58 M59 Y60 R64 N65 L66 F114 V117 M118 D121 M136 V145 | P58-L62 WeakPolarHBondContact O-CG 3.3Å; P58-L62 PolarHBondContact O-N 3.44Å; M59-L62 PolarHBondContact O-N 3.43Å; Y60-L62 PolarHBondContact O-N 3.22Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.17Å; L62-N65 PolarHBondContact O-N 3.45Å; L62-N65 VanDerWaalsContact O-N 3.17Å; L62-L66 PolarHBondContact O-N 3.39Å; L62-F114 HydrophobicContact CD2-CD1 4.29Å; L62-F114 HydrophobicContact CD2-CE1 4.15Å; L62-V117 HydrophobicContact CD1-CG1 3.74Å; L62-V117 HydrophobicContact CD2-CG1 3.64Å; L62-V117 HydrophobicContact CG-CG1 4.36Å; L62-M118 HydrophobicContact CB-CG 4.02Å; L62-M118 HydrophobicContact CD1-CG 4.19Å; L62-D121 HydrophobicContact CD1-CB 4.25Å; L62-M136 HydrophobicContact CD1-CE 4.46Å; L62-V145 HydrophobicContact CD2-CG2 3.97Å |
| 63 | L | 91.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 179.2 | -178.1 | 66 | 0 | 0 | 0 | 112 | I45 M59 Y60 N65 L66 A67 M118 Y287 M294 | I45-L63 HydrophobicContact CG2-CD2 4.12Å; I45-L63 HydrophobicContact CG2-CG 3.99Å; M59-L63 WeakPolarHBondContact O-CB 3.21Å; M59-L63 PolarHBondContact O-N 2.97Å; Y60-L63 HydrophobicContact CD1-CD2 3.86Å; Y60-L63 PolarHBondContact O-N 3.15Å; L63-N65 VanDerWaalsContact C-N 3.34Å; L63-N65 PolarHBondContact O-N 3.07Å; L63-L66 PolarHBondContact O-N 3.29Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.45Å; L63-M118 HydrophobicContact CB-CE 4.27Å; L63-M118 HydrophobicContact CD1-CE 4.17Å; L63-Y287 HydrophobicContact CD1-CD1 3.76Å; L63-Y287 HydrophobicContact CD1-CD2 3.52Å; L63-Y287 HydrophobicContact CD1-CE1 4.05Å; L63-Y287 HydrophobicContact CD1-CE2 3.83Å; L63-Y287 HydrophobicContact CD1-CG 3.5Å; L63-Y287 VanDerWaalsContact CD1-CG 3.5Å; L63-Y287 HydrophobicContact CD2-CG 4.4Å; L63-M294 HydrophobicContact CD2-CE 3.76Å |
| 64 | R | 93.1 | Very high | 90.5 | Very high | 77 Ų | 77 | 31.6 Ų | 31.6 | 29% | 0.291 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.3 | -42 | 175.2 | -177.4 | -179.8 | 72.7 | 178 | 2.6 | 112.1 | M46 V49 Y60 F61 L62 A67 L68 | M46-R64 HydrophobicContact CB-CG 4.39Å; M46-R64 HydrophobicContact CG-CG 4.16Å; V49-R64 HydrophobicContact CB-CB 4.39Å; V49-R64 HydrophobicContact CG1-CB 4.06Å; Y60-R64 PolarHBondContact O-N 3.36Å; F61-R64 PolarHBondContact O-N 3.25Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.17Å; R64-A67 PolarHBondContact O-N 3.04Å; R64-L68 PolarHBondContact O-N 3.35Å; R64-L68 VanDerWaalsContact O-N 3.17Å |
| 65 | N | 94.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71 | -36.8 | 177.8 | -75.7 | -83.9 | 0 | 0 | 0 | 111.8 | F61 L62 L63 A67 L68 I69 F114 | F61-N65 PolarHBondContact O-N 3.37Å; F61-N65 PolarHBondContact O-ND2 2.9Å; L62-N65 PolarHBondContact O-N 3.45Å; L62-N65 VanDerWaalsContact O-N 3.17Å; L63-N65 VanDerWaalsContact C-N 3.34Å; L63-N65 PolarHBondContact O-N 3.07Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-L68 WeakPolarHBondContact O-CB 3.46Å; N65-L68 PolarHBondContact O-N 3.48Å; N65-I69 PolarHBondContact O-N 2.87Å; N65-F114 HydrophobicContact CB-CE1 3.52Å; N65-F114 HydrophobicContact CB-CZ 3.57Å |
| 66 | L | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 172.2 | -178.7 | 63.1 | 0 | 0 | 0 | 111.3 | L62 L63 L68 I69 D70 T111 F114 L115 M118 Y287 | L62-L66 PolarHBondContact O-N 3.39Å; L63-L66 PolarHBondContact O-N 3.29Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 3.18Å; L66-I69 PolarHBondContact O-N 3.44Å; L66-I69 VanDerWaalsContact O-N 3.1Å; L66-D70 PolarHBondContact O-N 2.7Å; L66-T111 HydrophobicContact CD1-CG2 4.1Å; L66-F114 HydrophobicContact CD1-CB 4.01Å; L66-L115 HydrophobicContact CD2-CD2 4.36Å; L66-M118 HydrophobicContact CD2-SD 3.81Å; L66-Y287 HydrophobicContact CD2-CE2 4.03Å |
| 67 | A | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -35 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N42 I45 M46 L63 R64 N65 L71 | N42-A67 HydrophobicContact CB-CB 4.2Å; N42-A67 WeakPolarHBondContact OD1-CA 3.32Å; I45-A67 HydrophobicContact CB-CB 4.23Å; I45-A67 HydrophobicContact CG2-CB 3.95Å; M46-A67 HydrophobicContact CG-CB 4Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 3.45Å; R64-A67 PolarHBondContact O-N 3.04Å; N65-A67 VanDerWaalsContact C-N 3.34Å; A67-L71 WeakPolarHBondContact O-CB 3.19Å; A67-L71 PolarHBondContact O-N 2.91Å |
| 68 | L | 93.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 33% | 0.33 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 172.3 | 177.4 | 64.3 | 0 | 0 | 0 | 111.6 | M46 R64 N65 L66 L71 C72 | M46-L68 HydrophobicContact CE-CB 4.47Å; M46-L68 HydrophobicContact CE-CD1 4.23Å; M46-L68 HydrophobicContact SD-CB 4.37Å; R64-L68 PolarHBondContact O-N 3.35Å; R64-L68 VanDerWaalsContact O-N 3.17Å; N65-L68 WeakPolarHBondContact O-CB 3.46Å; N65-L68 PolarHBondContact O-N 3.48Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 3.18Å; L68-L71 PolarHBondContact O-N 2.9Å; L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 3.01Å |
| 69 | I | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 176 | -74.1 | 175.8 | 0 | 0 | 0 | 111.1 | N65 L66 L71 C72 Y73 L107 T111 F114 W149 | N65-I69 PolarHBondContact O-N 2.87Å; L66-I69 PolarHBondContact O-N 3.44Å; L66-I69 VanDerWaalsContact O-N 3.1Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.17Å; I69-C72 PolarHBondContact O-N 3.35Å; I69-Y73 WeakPolarHBondContact O-CB 3.36Å; I69-Y73 PolarHBondContact O-N 3.47Å; I69-L107 HydrophobicContact CG1-CD2 4.38Å; I69-L107 HydrophobicContact CG2-CB 4.18Å; I69-L107 HydrophobicContact CG2-CD2 4.22Å; I69-L107 WeakPolarHBondContact CG2-O 3.22Å; I69-T111 WeakPolarHBondContact CG2-OG1 3.45Å; I69-F114 HydrophobicContact CD1-CD2 3.33Å; I69-F114 HydrophobicContact CD1-CE2 3.21Å; I69-F114 HydrophobicContact CD1-CG 4.45Å; I69-F114 HydrophobicContact CD1-CZ 4.27Å; I69-F114 HydrophobicContact CG1-CE2 4.49Å; I69-W149 HydrophobicContact CD1-CH2 4.3Å; I69-W149 HydrophobicContact CD1-CZ2 3.95Å; I69-W149 HydrophobicContact CG1-CH2 3.72Å; I69-W149 HydrophobicContact CG1-CZ2 3.56Å |
| 70 | D | 91 | Very high | 90.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 179.4 | -76.2 | -11.5 | 0 | 0 | 0 | 111.2 | L66 S74 N283 | L66-D70 PolarHBondContact O-N 2.7Å; D70-S74 WeakPolarHBondContact O-CB 3.42Å; D70-S74 PolarHBondContact O-N 3.5Å; D70-S74 PolarHBondContact O-OG 3.47Å; D70-N283 WeakPolarHBondContact OD2-CB 3.45Å; D70-N283 PolarHBondContact OD2-ND2 2.72Å |
| 71 | L | 92.6 | Very high | 90.2 | Very high | 32 Ų | 32 | 24.6 Ų | 24.6 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -53.7 | 174 | -171.5 | 154.6 | 0 | 0 | 0 | 111 | I39 N42 L43 A67 L68 I69 Y73 S74 T75 | I39-L71 HydrophobicContact CD1-CD1 4.49Å; I39-L71 HydrophobicContact CD1-CD2 4.3Å; I39-L71 HydrophobicContact CD1-CG 3.79Å; N42-L71 HydrophobicContact CB-CB 4.36Å; L43-L71 HydrophobicContact CD2-CD1 3.68Å; L43-L71 HydrophobicContact CG-CD1 3.84Å; A67-L71 WeakPolarHBondContact O-CB 3.19Å; A67-L71 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 2.9Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.17Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 2.89Å; L71-S74 PolarHBondContact O-N 2.89Å; L71-T75 PolarHBondContact O-N 3.33Å; L71-T75 VanDerWaalsContact O-N 3.13Å; L71-T75 PolarHBondContact O-OG1 3.19Å |
| 72 | C | 93 | Very high | 90 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 30% | 0.297 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 177.8 | -69 | 0 | 0 | 0 | 0 | 111.6 | L68 I69 S74 T75 V76 L107 | L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 3.01Å; I69-C72 PolarHBondContact O-N 3.35Å; C72-S74 PolarHBondContact O-N 3.3Å; C72-T75 PolarHBondContact O-N 2.86Å; C72-V76 WeakPolarHBondContact O-CG2 2.88Å; C72-V76 PolarHBondContact O-N 3.49Å; C72-V76 VanDerWaalsContact O-N 3.14Å; C72-L107 HydrophobicContact CB-CD1 3.7Å; C72-L107 HydrophobicContact CB-CD2 3.86Å; C72-L107 HydrophobicContact CB-CG 4.46Å |
| 73 | Y | 90.3 | Very high | 89.7 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | -177.4 | -177.6 | -103.5 | 0 | 0 | 0 | 110.9 | I69 L71 T75 V76 F104 L107 P280 | I69-Y73 WeakPolarHBondContact O-CB 3.36Å; I69-Y73 PolarHBondContact O-N 3.47Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 2.89Å; Y73-T75 VanDerWaalsContact C-N 3.28Å; Y73-T75 PolarHBondContact O-N 2.84Å; Y73-V76 PolarHBondContact O-N 3.49Å; Y73-F104 HydrophobicContact CD2-CD2 4.43Å; Y73-F104 AromaticContact CE2-CD2 3.52Å; Y73-F104 HydrophobicContact CE2-CD2 3.52Å; Y73-F104 AromaticContact CE2-CE2 3.67Å; Y73-F104 HydrophobicContact CE2-CE2 3.67Å; Y73-F104 HydrophobicContact CE2-CG 4.16Å; Y73-F104 HydrophobicContact CE2-CZ 4.39Å; Y73-F104 AromaticContact CZ-CD2 3.88Å; Y73-F104 AromaticContact CZ-CE2 3.52Å; Y73-F104 WeakPolarHBondContact OH-CE2 3.42Å; Y73-F104 WeakPolarHBondContact OH-CZ 3.24Å; Y73-L107 HydrophobicContact CD2-CB 3.82Å; Y73-L107 HydrophobicContact CG-CB 4.43Å; Y73-P280 HydrophobicContact CD1-CG 3.8Å; Y73-P280 HydrophobicContact CE1-CG 4.1Å |
| 74 | S | 89.4 | Confident | 89.5 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 112 | T38 D70 L71 C72 V76 S78 P79 P280 | T38-S74 VanDerWaalsContact CG2-OG 3.25Å; T38-S74 WeakPolarHBondContact CG2-OG 3.3Å; D70-S74 WeakPolarHBondContact O-CB 3.42Å; D70-S74 PolarHBondContact O-N 3.5Å; D70-S74 PolarHBondContact O-OG 3.47Å; L71-S74 PolarHBondContact O-N 2.89Å; C72-S74 PolarHBondContact O-N 3.3Å; S74-V76 VanDerWaalsContact C-N 3.34Å; S74-S78 WeakPolarHBondContact O-CB 3.28Å; S74-S78 PolarHBondContact O-N 3.11Å; S74-S78 PolarHBondContact O-OG 3.46Å; S74-P79 WeakPolarHBondContact O-CD 3.46Å; S74-P280 WeakPolarHBondContact OG-CB 3.39Å |
| 75 | T | 90.3 | Very high | 89 | Confident | 62 Ų | 62 | 22.8 Ų | 22.8 | 38% | 0.38 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -73.4 | -20.2 | 179 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | Y35 L71 C72 Y73 P79 | Y35-T75 PolarHBondContact OH-OG1 3.42Å; L71-T75 PolarHBondContact O-N 3.33Å; L71-T75 VanDerWaalsContact O-N 3.13Å; L71-T75 PolarHBondContact O-OG1 3.19Å; C72-T75 PolarHBondContact O-N 2.86Å; Y73-T75 VanDerWaalsContact C-N 3.28Å; Y73-T75 PolarHBondContact O-N 2.84Å; T75-P79 HydrophobicContact CG2-CG 4.17Å; T75-P79 WeakPolarHBondContact O-CD 3.37Å; T75-P79 VanDerWaalsContact O-CG 3.25Å; T75-P79 WeakPolarHBondContact O-CG 3.46Å |
| 76 | V | 88.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 19% | 0.188 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.2 | -35.3 | 177 | 170 | 0 | 0 | 0 | 0 | 112.1 | C72 Y73 S74 Q100 F103 L107 | C72-V76 WeakPolarHBondContact O-CG2 2.88Å; C72-V76 PolarHBondContact O-N 3.49Å; C72-V76 VanDerWaalsContact O-N 3.14Å; Y73-V76 PolarHBondContact O-N 3.49Å; S74-V76 VanDerWaalsContact C-N 3.34Å; V76-Q100 HydrophobicContact CG1-CG 3.94Å; V76-Q100 PolarHBondContact O-NE2 2.87Å; V76-Q100 VanDerWaalsContact O-NE2 3.08Å; V76-F103 HydrophobicContact CB-CB 4.48Å; V76-F103 HydrophobicContact CG1-CB 4.01Å; V76-F103 HydrophobicContact CG2-CB 3.59Å; V76-F103 HydrophobicContact CG2-CG 4.37Å; V76-L107 HydrophobicContact CG2-CD1 3.88Å |
| 77 | T | 82 | Confident | 87.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -106.7 | -45.7 | -173.3 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | M81 F104 Y178 | T77-M81 WeakPolarHBondContact O-CB 3.26Å; T77-M81 PolarHBondContact O-N 2.92Å; T77-M81 VanDerWaalsContact O-N 3.15Å; T77-F104 HydrophobicContact CG2-CD2 3.74Å; T77-F104 HydrophobicContact CG2-CE2 3.93Å; T77-Y178 HydrophobicContact CG2-CD2 4.48Å |
| 78 | S | 86.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -43.6 | -167.7 | -55.4 | 0 | 0 | 0 | 0 | 114.1 | S74 K80 M81 L82 | S74-S78 WeakPolarHBondContact O-CB 3.28Å; S74-S78 PolarHBondContact O-N 3.11Å; S74-S78 PolarHBondContact O-OG 3.46Å; S78-K80 VanDerWaalsContact C-N 3.35Å; S78-K80 PolarHBondContact O-N 3.47Å; S78-M81 WeakPolarHBondContact O-CB 3.2Å; S78-M81 PolarHBondContact O-N 3.36Å; S78-L82 WeakPolarHBondContact O-CB 3.37Å; S78-L82 VanDerWaalsContact O-CG 3.26Å; S78-L82 WeakPolarHBondContact O-CG 3.34Å; S78-L82 PolarHBondContact O-N 2.99Å |
| 79 | P | 86 | Confident | 85.8 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61 | -42.4 | 178.9 | -25.7 | 36.3 | 0 | 0 | 0 | 112.8 | Y35 S74 T75 L82 V83 | Y35-P79 HydrophobicContact CE2-CG 4.29Å; S74-P79 WeakPolarHBondContact O-CD 3.46Å; T75-P79 HydrophobicContact CG2-CG 4.17Å; T75-P79 WeakPolarHBondContact O-CD 3.37Å; T75-P79 VanDerWaalsContact O-CG 3.25Å; T75-P79 WeakPolarHBondContact O-CG 3.46Å; P79-L82 PolarHBondContact O-N 3.49Å; P79-V83 WeakPolarHBondContact O-CG2 3.38Å; P79-V83 PolarHBondContact O-N 2.89Å |
| 80 | K | 86.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 177.6 | 179.6 | 52.6 | 178 | 153.2 | 0 | 110.8 | S78 L82 V83 D84 T91 | S78-K80 VanDerWaalsContact C-N 3.35Å; S78-K80 PolarHBondContact O-N 3.47Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.17Å; K80-V83 PolarHBondContact O-N 3.3Å; K80-D84 WeakPolarHBondContact CE-OD1 3.46Å; K80-D84 WeakPolarHBondContact CE-OD2 3.44Å; K80-D84 IonicContact NZ-OD1 3.07Å; K80-D84 PolarHBondContact NZ-OD1 2.96Å; K80-D84 IonicContact NZ-OD2 3.99Å; K80-D84 PolarHBondContact NZ-OD2 2.88Å; K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.29Å; K80-T91 WeakPolarHBondContact CE-O 3.46Å; K80-T91 PolarHBondContact NZ-O 3.27Å |
| 81 | M | 84.9 | Confident | 85 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -42.4 | 174.1 | -177.5 | -176.7 | 67.8 | 0 | 0 | 112.5 | F17 F31 T77 S78 D84 F85 F177 V277 | F17-M81 HydrophobicContact CE2-CG 4Å; F17-M81 HydrophobicContact CE2-SD 3.68Å; F17-M81 HydrophobicContact CZ-SD 4.08Å; F31-M81 HydrophobicContact CB-CE 3.74Å; F31-M81 HydrophobicContact CD1-CE 3.51Å; F31-M81 HydrophobicContact CD1-SD 4.46Å; F31-M81 HydrophobicContact CD2-CE 4.13Å; F31-M81 HydrophobicContact CE1-CE 4.08Å; F31-M81 HydrophobicContact CG-CE 3.53Å; F31-M81 HydrophobicContact CG-SD 4.47Å; T77-M81 WeakPolarHBondContact O-CB 3.26Å; T77-M81 PolarHBondContact O-N 2.92Å; T77-M81 VanDerWaalsContact O-N 3.15Å; S78-M81 WeakPolarHBondContact O-CB 3.2Å; S78-M81 PolarHBondContact O-N 3.36Å; M81-D84 PolarHBondContact O-N 2.9Å; M81-F85 HydrophobicContact CE-CE2 4.42Å; M81-F85 HydrophobicContact CG-CD2 4.47Å; M81-F85 HydrophobicContact CG-CE2 3.72Å; M81-F85 HydrophobicContact CG-CZ 4.09Å; M81-F85 VanDerWaalsContact O-CD2 3.22Å; M81-F85 WeakPolarHBondContact O-CD2 3.24Å; M81-F85 PolarHBondContact O-N 3.46Å; M81-F85 HydrophobicContact SD-CE2 4.32Å; M81-F177 HydrophobicContact CB-CD2 3.97Å; M81-F177 HydrophobicContact CG-CB 4.15Å; M81-F177 HydrophobicContact CG-CD2 3.74Å; M81-F177 HydrophobicContact CG-CE2 4.49Å; M81-F177 HydrophobicContact CG-CG 4.16Å; M81-F177 HydrophobicContact SD-CD2 3.46Å; M81-F177 WeakPolarHBondContact SD-CD2 3.46Å; M81-F177 HydrophobicContact SD-CE2 3.66Å; M81-F177 HydrophobicContact SD-CG 4.02Å; M81-F177 HydrophobicContact SD-CZ 4.38Å; M81-V277 HydrophobicContact CE-CG2 4.1Å |
| 82 | L | 87.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.6 | -73.6 | 170.9 | 0 | 0 | 0 | 112.3 | F28 F31 L32 Y35 S78 P79 K80 D84 F85 | F28-L82 HydrophobicContact CD2-CB 4.34Å; F28-L82 HydrophobicContact CD2-CD2 3.89Å; F28-L82 WeakPolarHBondContact CD2-O 3.42Å; F28-L82 HydrophobicContact CE2-CB 4.12Å; F28-L82 HydrophobicContact CE2-CD2 4.12Å; F31-L82 HydrophobicContact CB-CD2 3.83Å; L32-L82 HydrophobicContact CB-CD2 4.06Å; L32-L82 HydrophobicContact CD1-CD1 4.14Å; Y35-L82 HydrophobicContact CD1-CD1 4.19Å; Y35-L82 HydrophobicContact CG-CD1 4.29Å; S78-L82 WeakPolarHBondContact O-CB 3.37Å; S78-L82 VanDerWaalsContact O-CG 3.26Å; S78-L82 WeakPolarHBondContact O-CG 3.34Å; S78-L82 PolarHBondContact O-N 2.99Å; P79-L82 PolarHBondContact O-N 3.49Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.17Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.83Å; L82-F85 HydrophobicContact CD2-CD2 4.46Å; L82-F85 PolarHBondContact O-N 2.89Å |
| 83 | V | 86.4 | Confident | 84.6 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | P79 K80 F85 L86 H87 | P79-V83 WeakPolarHBondContact O-CG2 3.38Å; P79-V83 PolarHBondContact O-N 2.89Å; K80-V83 PolarHBondContact O-N 3.3Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 3.38Å; V83-L86 PolarHBondContact O-N 3.15Å; V83-L86 VanDerWaalsContact O-N 3.09Å; V83-H87 WeakPolarHBondContact CG1-ND1 3.24Å; V83-H87 PolarHBondContact O-N 2.94Å; V83-H87 PolarHBondContact O-ND1 3.42Å |
| 84 | D | 85.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -17.9 | 179.2 | -73.6 | -13.4 | 0 | 0 | 0 | 113.4 | L14 K80 M81 L82 L86 K90 | L14-D84 WeakPolarHBondContact CD1-OD2 3.5Å; K80-D84 WeakPolarHBondContact CE-OD1 3.46Å; K80-D84 WeakPolarHBondContact CE-OD2 3.44Å; K80-D84 IonicContact NZ-OD1 3.07Å; K80-D84 PolarHBondContact NZ-OD1 2.96Å; K80-D84 IonicContact NZ-OD2 3.99Å; K80-D84 PolarHBondContact NZ-OD2 2.88Å; K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.29Å; M81-D84 PolarHBondContact O-N 2.9Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-D84 PolarHBondContact O-N 2.83Å; D84-L86 VanDerWaalsContact C-N 3.34Å; D84-K90 HydrophobicContact CB-CB 4.21Å; D84-K90 HydrophobicContact CB-CD 4.17Å; D84-K90 HydrophobicContact CB-CG 3.86Å; D84-K90 WeakPolarHBondContact O-CE 3.32Å; D84-K90 WeakPolarHBondContact O-CG 3.35Å |
| 85 | F | 83.2 | Confident | 84.3 | Confident | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.6 | -21.4 | 169.3 | -70.1 | -55.8 | 0 | 0 | 0 | 113.6 | F17 Q24 L27 F28 F31 M81 L82 V83 | F17-F85 HydrophobicContact CB-CE1 4.24Å; F17-F85 AromaticContact CD2-CE1 3.43Å; F17-F85 HydrophobicContact CD2-CE1 3.43Å; F17-F85 VanDerWaalsContact CD2-CE1 3.43Å; F17-F85 AromaticContact CD2-CZ 3.33Å; F17-F85 HydrophobicContact CD2-CZ 3.33Å; F17-F85 HydrophobicContact CE2-CE1 4.19Å; F17-F85 AromaticContact CE2-CZ 3.63Å; F17-F85 HydrophobicContact CE2-CZ 3.63Å; F17-F85 HydrophobicContact CG-CE1 4.23Å; F17-F85 HydrophobicContact CG-CZ 4.34Å; Q24-F85 HydrophobicContact CB-CD1 4.35Å; Q24-F85 HydrophobicContact CG-CD1 4.42Å; L27-F85 HydrophobicContact CB-CD1 4.29Å; L27-F85 HydrophobicContact CB-CE1 3.76Å; L27-F85 HydrophobicContact CB-CE2 4.37Å; L27-F85 HydrophobicContact CB-CZ 3.83Å; L27-F85 HydrophobicContact CD1-CE1 3.99Å; L27-F85 HydrophobicContact CD1-CZ 4.45Å; F28-F85 HydrophobicContact CB-CB 3.85Å; F28-F85 HydrophobicContact CB-CD2 4.25Å; F28-F85 HydrophobicContact CB-CG 4.29Å; F28-F85 HydrophobicContact CD2-CB 4.14Å; F28-F85 HydrophobicContact CG-CB 4.47Å; F31-F85 HydrophobicContact CB-CE2 4.26Å; F31-F85 AromaticContact CD2-CE2 3.46Å; F31-F85 HydrophobicContact CD2-CE2 3.46Å; F31-F85 VanDerWaalsContact CD2-CE2 3.46Å; F31-F85 AromaticContact CD2-CZ 3.57Å; F31-F85 HydrophobicContact CD2-CZ 3.57Å; F31-F85 HydrophobicContact CE2-CE2 4.17Å; F31-F85 AromaticContact CE2-CZ 3.82Å; F31-F85 HydrophobicContact CE2-CZ 3.82Å; F31-F85 HydrophobicContact CG-CE2 4.16Å; M81-F85 HydrophobicContact CE-CE2 4.42Å; M81-F85 HydrophobicContact CG-CD2 4.47Å; M81-F85 HydrophobicContact CG-CE2 3.72Å; M81-F85 HydrophobicContact CG-CZ 4.09Å; M81-F85 VanDerWaalsContact O-CD2 3.22Å; M81-F85 WeakPolarHBondContact O-CD2 3.24Å; M81-F85 PolarHBondContact O-N 3.46Å; M81-F85 HydrophobicContact SD-CE2 4.32Å; L82-F85 HydrophobicContact CD2-CD2 4.46Å; L82-F85 PolarHBondContact O-N 2.89Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 3.38Å |
| 86 | L | 82.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -95.4 | -15.6 | -177.5 | -60.7 | 179.8 | 0 | 0 | 0 | 113.1 | F28 V83 D84 | F28-L86 HydrophobicContact CD1-CD2 4.2Å; F28-L86 HydrophobicContact CD2-CD1 4.23Å; F28-L86 HydrophobicContact CD2-CD2 3.84Å; F28-L86 HydrophobicContact CD2-CG 3.84Å; F28-L86 HydrophobicContact CE1-CD2 4.31Å; F28-L86 HydrophobicContact CE2-CD1 3.58Å; F28-L86 HydrophobicContact CE2-CD2 3.95Å; F28-L86 HydrophobicContact CE2-CG 3.73Å; F28-L86 HydrophobicContact CG-CD2 3.97Å; F28-L86 HydrophobicContact CG-CG 4.47Å; F28-L86 HydrophobicContact CZ-CD1 3.85Å; F28-L86 HydrophobicContact CZ-CD2 4.19Å; F28-L86 HydrophobicContact CZ-CG 4.28Å; V83-L86 PolarHBondContact O-N 3.15Å; V83-L86 VanDerWaalsContact O-N 3.09Å; D84-L86 VanDerWaalsContact C-N 3.34Å |
| 87 | H | 80.3 | Confident | 84.3 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | trans | -109.5 | 142.1 | -178.2 | -68.6 | 96 | 0 | 0 | 0 | 112.1 | V83 | V83-H87 WeakPolarHBondContact CG1-ND1 3.24Å; V83-H87 PolarHBondContact O-N 2.94Å; V83-H87 PolarHBondContact O-ND1 3.42Å | ||
| 88 | E | 69.7 | Low | 84.7 | Confident | 186 Ų | 186 | 52.4 Ų | 52.4 | 87% | 0.869 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -69.6 | -39.7 | 174.5 | -64.7 | -176.1 | 173.7 | 0 | 0 | 111.6 | ||
| 89 | T | 73.3 | Confident | 85 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -100 | 112.1 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 90 | K | 83.4 | Confident | 85.2 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | trans | -101.2 | 92.3 | -177.8 | -56.8 | 167.9 | -165.2 | 164.7 | 0 | 108.8 | V13 L14 L15 D84 | V13-K90 CarbonylContact C-O 3.52Å; V13-K90 WeakPolarHBondContact CA-O 3.33Å; L14-K90 HydrophobicContact CB-CB 4.19Å; L14-K90 PolarHBondContact N-O 3.42Å; L14-K90 VanDerWaalsContact O-CB 3.26Å; L14-K90 WeakPolarHBondContact O-CB 3.26Å; L14-K90 WeakPolarHBondContact O-CD 2.77Å; L15-K90 PolarHBondContact O-NZ 2.85Å; D84-K90 HydrophobicContact CB-CB 4.21Å; D84-K90 HydrophobicContact CB-CD 4.17Å; D84-K90 HydrophobicContact CB-CG 3.86Å; D84-K90 WeakPolarHBondContact O-CE 3.32Å; D84-K90 WeakPolarHBondContact O-CG 3.35Å | ||
| 91 | T | 84.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.1 | -175.6 | 56.8 | 0 | 0 | 0 | 0 | 112 | I11 F12 V13 K80 | I11-T91 HydrophobicContact CG2-CG2 3.91Å; F12-T91 CarbonylContact O-C 3.57Å; F12-T91 VanDerWaalsContact O-CA 3.23Å; F12-T91 WeakPolarHBondContact O-CA 3.41Å; V13-T91 HydrophobicContact CG2-CG2 4.29Å; K80-T91 WeakPolarHBondContact CE-O 3.46Å; K80-T91 PolarHBondContact NZ-O 3.27Å |
| 92 | I | 86.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.3 | 172.8 | -170.6 | 167.3 | 0 | 0 | 0 | 108.7 | F12 L14 C97 | F12-I92 HydrophobicContact CB-CG2 3.87Å; F12-I92 PolarHBondContact N-O 3.5Å; F12-I92 PolarHBondContact O-N 3.48Å; L14-I92 HydrophobicContact CD1-CB 4.35Å; L14-I92 HydrophobicContact CD1-CG2 4.08Å; L14-I92 HydrophobicContact CG-CG2 4.27Å; I92-C97 HydrophobicContact CD1-CB 4.31Å; I92-C97 HydrophobicContact CG1-CB 4.34Å; I92-C97 HydrophobicContact CG2-CB 4.29Å |
| 93 | S | 89.6 | Confident | 86.2 | Confident | 59 Ų | 59 | 56 Ų | 56 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 155.3 | 176.1 | 66 | 0 | 0 | 0 | 0 | 110.4 | Q95 G96 C97 | S93-Q95 VanDerWaalsContact C-N 3.26Å; S93-Q95 PolarHBondContact O-N 3.16Å; S93-G96 PolarHBondContact O-N 3.06Å; S93-G96 VanDerWaalsContact O-N 3.09Å; S93-G96 PolarHBondContact OG-N 3.4Å; S93-C97 WeakPolarHBondContact O-CB 3.36Å; S93-C97 PolarHBondContact O-N 3.13Å |
| 94 | Y | 85.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 53 Ų | 53 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.2 | -47.2 | 174 | 172.5 | -93.7 | 0 | 0 | 0 | 111.9 | S10 F12 G96 C97 M98 F168 | S10-Y94 PolarHBondContact O-N 3.39Å; F12-Y94 AromaticContact CE2-CD2 3.87Å; F12-Y94 HydrophobicContact CE2-CD2 3.87Å; F12-Y94 HydrophobicContact CZ-CD2 4.23Å; Y94-G96 PolarHBondContact O-N 3.38Å; Y94-C97 WeakPolarHBondContact O-CB 3.09Å; Y94-C97 PolarHBondContact O-N 2.82Å; Y94-M98 HydrophobicContact CD1-CG 4.29Å; Y94-M98 HydrophobicContact CD2-CE 4.21Å; Y94-M98 HydrophobicContact CE1-CG 3.84Å; Y94-M98 HydrophobicContact CE2-CE 3.78Å; Y94-M98 HydrophobicContact CE2-CG 4.15Å; Y94-M98 HydrophobicContact CE2-SD 4.3Å; Y94-M98 WeakPolarHBondContact O-CG 3.22Å; Y94-M98 PolarHBondContact O-N 3.41Å; Y94-F168 HydrophobicContact CD2-CD2 4.4Å; Y94-F168 AromaticContact CE2-CD2 3.74Å; Y94-F168 HydrophobicContact CE2-CD2 3.74Å; Y94-F168 AromaticContact CE2-CE2 3.83Å; Y94-F168 HydrophobicContact CE2-CE2 3.83Å |
| 95 | Q | 88.4 | Confident | 86.8 | Confident | 160 Ų | 160 | 53 Ų | 53 | 75% | 0.748 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 177.8 | -69.2 | -178.3 | -20.1 | 0 | 0 | 112.6 | S93 C97 M98 A99 | S93-Q95 VanDerWaalsContact C-N 3.26Å; S93-Q95 PolarHBondContact O-N 3.16Å; Q95-C97 VanDerWaalsContact C-N 3.29Å; Q95-C97 PolarHBondContact O-N 3.35Å; Q95-M98 PolarHBondContact O-N 3.38Å; Q95-A99 WeakPolarHBondContact O-CB 3.44Å; Q95-A99 PolarHBondContact O-N 2.91Å |
| 96 | G | 89.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S93 Y94 A99 Q100 | S93-G96 PolarHBondContact O-N 3.06Å; S93-G96 VanDerWaalsContact O-N 3.09Å; S93-G96 PolarHBondContact OG-N 3.4Å; Y94-G96 PolarHBondContact O-N 3.38Å; G96-A99 PolarHBondContact O-N 2.63Å; G96-Q100 WeakPolarHBondContact O-CB 3.37Å; G96-Q100 PolarHBondContact O-N 2.83Å |
| 97 | C | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 177.6 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | F12 I92 S93 Y94 Q95 Q100 I101 C179 I184 | F12-C97 HydrophobicContact CD2-CB 4Å; F12-C97 HydrophobicContact CE2-CB 4.25Å; I92-C97 HydrophobicContact CD1-CB 4.31Å; I92-C97 HydrophobicContact CG1-CB 4.34Å; I92-C97 HydrophobicContact CG2-CB 4.29Å; S93-C97 WeakPolarHBondContact O-CB 3.36Å; S93-C97 PolarHBondContact O-N 3.13Å; Y94-C97 WeakPolarHBondContact O-CB 3.09Å; Y94-C97 PolarHBondContact O-N 2.82Å; Q95-C97 VanDerWaalsContact C-N 3.29Å; Q95-C97 PolarHBondContact O-N 3.35Å; C97-Q100 PolarHBondContact O-N 3.48Å; C97-I101 WeakPolarHBondContact O-CG1 3.19Å; C97-I101 PolarHBondContact O-N 3.01Å; C97-C179 VanDerWaalsContact CA-SG 3.5Å; C97-C179 HydrophobicContact CB-CB 3.97Å; C97-C179 WeakPolarHBondContact CB-SG 3.05Å; C97-C179 WeakPolarHBondContact SG-CB 3.25Å; C97-C179 CovalentContact SG-SG 2.03Å; C97-C179 PolarHBondContact SG-SG 2.83Å; C97-I184 WeakPolarHBondContact SG-CD1 3.44Å |
| 98 | M | 90.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.069 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 174 | -65.4 | -56.9 | 117.4 | 0 | 0 | 112 | Y94 Q95 Q100 I101 F102 L160 I163 L164 I184 | Y94-M98 HydrophobicContact CD1-CG 4.29Å; Y94-M98 HydrophobicContact CD2-CE 4.21Å; Y94-M98 HydrophobicContact CE1-CG 3.84Å; Y94-M98 HydrophobicContact CE2-CE 3.78Å; Y94-M98 HydrophobicContact CE2-CG 4.15Å; Y94-M98 HydrophobicContact CE2-SD 4.3Å; Y94-M98 WeakPolarHBondContact O-CG 3.22Å; Y94-M98 PolarHBondContact O-N 3.41Å; Q95-M98 PolarHBondContact O-N 3.38Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 3.14Å; M98-I101 PolarHBondContact O-N 3.35Å; M98-F102 WeakPolarHBondContact O-CB 3.22Å; M98-F102 PolarHBondContact O-N 2.66Å; M98-L160 HydrophobicContact CB-CD2 4.47Å; M98-L160 HydrophobicContact SD-CD2 4.35Å; M98-I163 HydrophobicContact CE-CG2 4.16Å; M98-I163 HydrophobicContact SD-CG2 4.06Å; M98-L164 HydrophobicContact CG-CD2 4.03Å; M98-L164 HydrophobicContact SD-CD2 3.97Å; M98-I184 HydrophobicContact CE-CD1 3.68Å; M98-I184 HydrophobicContact CE-CG2 4.42Å |
| 99 | A | 91.9 | Very high | 89.3 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q95 G96 F102 F103 | Q95-A99 WeakPolarHBondContact O-CB 3.44Å; Q95-A99 PolarHBondContact O-N 2.91Å; G96-A99 PolarHBondContact O-N 2.63Å; A99-F102 WeakPolarHBondContact O-CB 3.28Å; A99-F102 PolarHBondContact O-N 3.46Å; A99-F103 WeakPolarHBondContact O-CD2 3.39Å; A99-F103 PolarHBondContact O-N 2.78Å |
| 100 | Q | 91.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 176.5 | -171.6 | 171.1 | 48.5 | 0 | 0 | 111.1 | V76 G96 C97 M98 F102 F103 F104 C179 | V76-Q100 HydrophobicContact CG1-CG 3.94Å; V76-Q100 PolarHBondContact O-NE2 2.87Å; V76-Q100 VanDerWaalsContact O-NE2 3.08Å; G96-Q100 WeakPolarHBondContact O-CB 3.37Å; G96-Q100 PolarHBondContact O-N 2.83Å; C97-Q100 PolarHBondContact O-N 3.48Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 3.14Å; Q100-F102 VanDerWaalsContact C-N 3.32Å; Q100-F102 PolarHBondContact O-N 3.24Å; Q100-F103 PolarHBondContact O-N 3.01Å; Q100-F104 WeakPolarHBondContact O-CB 3.5Å; Q100-F104 PolarHBondContact O-N 3.05Å; Q100-C179 HydrophobicContact CB-CB 4.46Å |
| 101 | I | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 175.6 | -74 | 175.1 | 0 | 0 | 0 | 111.4 | C97 M98 F104 H105 L160 I163 C179 V181 I184 | C97-I101 WeakPolarHBondContact O-CG1 3.19Å; C97-I101 PolarHBondContact O-N 3.01Å; M98-I101 PolarHBondContact O-N 3.35Å; I101-F104 PolarHBondContact O-N 2.84Å; I101-H105 PolarHBondContact O-N 2.84Å; I101-H105 PolarHBondContact O-ND1 3.41Å; I101-L160 HydrophobicContact CG2-CD2 4.16Å; I101-I163 HydrophobicContact CD1-CD1 4.45Å; I101-I163 HydrophobicContact CG2-CD1 4.12Å; I101-C179 HydrophobicContact CD1-CB 4.42Å; I101-C179 HydrophobicContact CG1-CB 4.21Å; I101-C179 WeakPolarHBondContact CG1-O 3.42Å; I101-V181 HydrophobicContact CD1-CG2 4.43Å; I101-V181 HydrophobicContact CG2-CG2 3.92Å; I101-I184 HydrophobicContact CD1-CD1 3.25Å; I101-I184 HydrophobicContact CD1-CG1 4.27Å |
| 102 | F | 93.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 29 Ų | 29 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -56.2 | 179.1 | 176.4 | -103.2 | 0 | 0 | 0 | 111.8 | M98 A99 Q100 F104 H105 L106 F153 S156 I157 L160 | M98-F102 WeakPolarHBondContact O-CB 3.22Å; M98-F102 PolarHBondContact O-N 2.66Å; A99-F102 WeakPolarHBondContact O-CB 3.28Å; A99-F102 PolarHBondContact O-N 3.46Å; Q100-F102 VanDerWaalsContact C-N 3.32Å; Q100-F102 PolarHBondContact O-N 3.24Å; F102-F104 VanDerWaalsContact C-N 3.3Å; F102-F104 PolarHBondContact O-N 2.92Å; F102-H105 PolarHBondContact O-N 3.24Å; F102-L106 HydrophobicContact CE1-CD2 3.99Å; F102-L106 HydrophobicContact CZ-CD2 4.24Å; F102-L106 VanDerWaalsContact O-CB 3.22Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.2Å; F102-F153 HydrophobicContact CE2-CD2 4.18Å; F102-F153 HydrophobicContact CE2-CE2 4.05Å; F102-F153 AromaticContact CZ-CD2 3.85Å; F102-F153 HydrophobicContact CZ-CD2 3.85Å; F102-F153 AromaticContact CZ-CE2 3.77Å; F102-F153 HydrophobicContact CZ-CE2 3.77Å; F102-S156 VanDerWaalsContact CA-OG 3.28Å; F102-S156 WeakPolarHBondContact CA-OG 3.25Å; F102-S156 WeakPolarHBondContact CD2-OG 3.18Å; F102-S156 PolarHBondContact O-OG 2.98Å; F102-I157 HydrophobicContact CE2-CD1 3.95Å; F102-I157 HydrophobicContact CE2-CG1 4.46Å; F102-L160 HydrophobicContact CB-CD1 3.91Å; F102-L160 HydrophobicContact CB-CG 4.43Å; F102-L160 HydrophobicContact CD2-CD1 3.59Å; F102-L160 HydrophobicContact CD2-CG 4.42Å; F102-L160 HydrophobicContact CG-CD1 4.12Å |
| 103 | F | 94.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 30.7 Ų | 30.7 | 43% | 0.425 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.1 | -34.5 | -177.6 | -74.4 | -68.2 | 0 | 0 | 0 | 111.7 | V76 A99 Q100 L106 L107 | V76-F103 HydrophobicContact CB-CB 4.48Å; V76-F103 HydrophobicContact CG1-CB 4.01Å; V76-F103 HydrophobicContact CG2-CB 3.59Å; V76-F103 HydrophobicContact CG2-CG 4.37Å; A99-F103 WeakPolarHBondContact O-CD2 3.39Å; A99-F103 PolarHBondContact O-N 2.78Å; Q100-F103 PolarHBondContact O-N 3.01Å; F103-L106 HydrophobicContact CD1-CD2 4.19Å; F103-L106 PolarHBondContact O-N 2.85Å; F103-L107 HydrophobicContact CB-CD1 4.5Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.42Å; F103-L107 WeakPolarHBondContact O-CD1 3.31Å; F103-L107 WeakPolarHBondContact O-CG 3Å; F103-L107 PolarHBondContact O-N 3.1Å |
| 104 | F | 91.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 175.9 | -173.6 | -100.3 | 0 | 0 | 0 | 112.2 | Y73 T77 Q100 I101 F102 G108 Y178 Y275 T276 | Y73-F104 HydrophobicContact CD2-CD2 4.43Å; Y73-F104 AromaticContact CE2-CD2 3.52Å; Y73-F104 HydrophobicContact CE2-CD2 3.52Å; Y73-F104 AromaticContact CE2-CE2 3.67Å; Y73-F104 HydrophobicContact CE2-CE2 3.67Å; Y73-F104 HydrophobicContact CE2-CG 4.16Å; Y73-F104 HydrophobicContact CE2-CZ 4.39Å; Y73-F104 AromaticContact CZ-CD2 3.88Å; Y73-F104 AromaticContact CZ-CE2 3.52Å; Y73-F104 WeakPolarHBondContact OH-CE2 3.42Å; Y73-F104 WeakPolarHBondContact OH-CZ 3.24Å; T77-F104 HydrophobicContact CG2-CD2 3.74Å; T77-F104 HydrophobicContact CG2-CE2 3.93Å; Q100-F104 WeakPolarHBondContact O-CB 3.5Å; Q100-F104 PolarHBondContact O-N 3.05Å; I101-F104 PolarHBondContact O-N 2.84Å; F102-F104 VanDerWaalsContact C-N 3.3Å; F102-F104 PolarHBondContact O-N 2.92Å; F104-G108 PolarHBondContact O-N 3.18Å; F104-Y178 HydrophobicContact CD2-CE2 4.48Å; F104-Y178 HydrophobicContact CE1-CE2 4.22Å; F104-Y178 HydrophobicContact CE2-CD2 4.33Å; F104-Y178 AromaticContact CE2-CE2 3.89Å; F104-Y178 HydrophobicContact CE2-CE2 3.89Å; F104-Y178 AromaticContact CZ-CE2 3.72Å; F104-Y178 HydrophobicContact CZ-CE2 3.72Å; F104-Y275 HydrophobicContact CE1-CE2 4.2Å; F104-Y275 HydrophobicContact CE2-CE2 4.39Å; F104-Y275 AromaticContact CZ-CE2 3.49Å; F104-Y275 HydrophobicContact CZ-CE2 3.49Å; F104-Y275 VanDerWaalsContact CZ-CE2 3.49Å; F104-Y275 AromaticContact CZ-CZ 3.84Å; F104-Y275 WeakPolarHBondContact CZ-OH 3.07Å; F104-T276 HydrophobicContact CE2-CG2 3.62Å; F104-T276 HydrophobicContact CZ-CG2 3.73Å |
| 105 | H | 91.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.4 | -33.9 | 179.7 | -72.5 | 78.5 | 0 | 0 | 0 | 112.7 | I101 F102 G109 H155 D180 | I101-H105 PolarHBondContact O-N 2.84Å; I101-H105 PolarHBondContact O-ND1 3.41Å; F102-H105 PolarHBondContact O-N 3.24Å; H105-G109 WeakPolarHBondContact O-CA 3.42Å; H105-G109 PolarHBondContact O-N 3.23Å; H105-H155 AromaticContact CD2-NE2 3.63Å; H105-D180 IonicContact CE1-OD1 3.97Å; H105-D180 PolarHBondContact CE1-OD1 3.44Å |
| 106 | L | 94.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 19.2 Ų | 19.2 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.4 | -53.1 | 174.9 | 168 | 63.1 | 0 | 0 | 0 | 110.6 | F102 F103 G110 W149 F153 | F102-L106 HydrophobicContact CE1-CD2 3.99Å; F102-L106 HydrophobicContact CZ-CD2 4.24Å; F102-L106 VanDerWaalsContact O-CB 3.22Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.2Å; F103-L106 HydrophobicContact CD1-CD2 4.19Å; F103-L106 PolarHBondContact O-N 2.85Å; L106-G110 PolarHBondContact O-N 3.35Å; L106-W149 HydrophobicContact CD1-CE3 4.44Å; L106-F153 HydrophobicContact CD1-CB 3.87Å; L106-F153 VanDerWaalsContact CD1-N 3.3Å |
| 107 | L | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -75.9 | -41.2 | -175.1 | -64.6 | 169.1 | 0 | 0 | 0 | 111.1 | I69 C72 Y73 V76 F103 G110 T111 W149 | I69-L107 HydrophobicContact CG1-CD2 4.38Å; I69-L107 HydrophobicContact CG2-CB 4.18Å; I69-L107 HydrophobicContact CG2-CD2 4.22Å; I69-L107 WeakPolarHBondContact CG2-O 3.22Å; C72-L107 HydrophobicContact CB-CD1 3.7Å; C72-L107 HydrophobicContact CB-CD2 3.86Å; C72-L107 HydrophobicContact CB-CG 4.46Å; Y73-L107 HydrophobicContact CD2-CB 3.82Å; Y73-L107 HydrophobicContact CG-CB 4.43Å; V76-L107 HydrophobicContact CG2-CD1 3.88Å; F103-L107 HydrophobicContact CB-CD1 4.5Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.42Å; F103-L107 WeakPolarHBondContact O-CD1 3.31Å; F103-L107 WeakPolarHBondContact O-CG 3Å; F103-L107 PolarHBondContact O-N 3.1Å; L107-G110 WeakPolarHBondContact O-CA 3.5Å; L107-G110 PolarHBondContact O-N 3.24Å; L107-T111 PolarHBondContact O-N 2.96Å; L107-T111 PolarHBondContact O-OG1 3.23Å; L107-W149 HydrophobicContact CD2-CH2 3.92Å; L107-W149 HydrophobicContact CD2-CZ3 3.9Å |
| 108 | G | 89.6 | Confident | 91.8 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 23% | 0.227 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F104 G110 T111 V112 | F104-G108 PolarHBondContact O-N 3.18Å; G108-G110 VanDerWaalsContact C-N 3.35Å; G108-T111 PolarHBondContact O-N 3.42Å; G108-V112 PolarHBondContact O-N 3.07Å; G108-V112 VanDerWaalsContact O-N 3.13Å |
| 109 | G | 90.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H105 T111 V112 F113 | H105-G109 WeakPolarHBondContact O-CA 3.42Å; H105-G109 PolarHBondContact O-N 3.23Å; G109-T111 PolarHBondContact O-N 3.35Å; G109-V112 PolarHBondContact O-N 3.24Å; G109-F113 WeakPolarHBondContact O-CD2 3.49Å; G109-F113 PolarHBondContact O-N 3.21Å |
| 110 | G | 92.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -53 | -52.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L106 L107 G108 V112 F113 F114 | L106-G110 PolarHBondContact O-N 3.35Å; L107-G110 WeakPolarHBondContact O-CA 3.5Å; L107-G110 PolarHBondContact O-N 3.24Å; G108-G110 VanDerWaalsContact C-N 3.35Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 3.48Å; G110-F113 PolarHBondContact O-N 3.39Å; G110-F113 VanDerWaalsContact O-N 3.15Å; G110-F114 WeakPolarHBondContact O-CB 3.42Å; G110-F114 VanDerWaalsContact O-CD2 3.28Å; G110-F114 WeakPolarHBondContact O-CD2 3.38Å; G110-F114 PolarHBondContact O-N 2.97Å |
| 111 | T | 90.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -53.4 | -47 | 177.1 | -66 | 0 | 0 | 0 | 0 | 111.8 | L66 I69 L107 G108 G109 F114 L115 I250 | L66-T111 HydrophobicContact CD1-CG2 4.1Å; I69-T111 WeakPolarHBondContact CG2-OG1 3.45Å; L107-T111 PolarHBondContact O-N 2.96Å; L107-T111 PolarHBondContact O-OG1 3.23Å; G108-T111 PolarHBondContact O-N 3.42Å; G109-T111 PolarHBondContact O-N 3.35Å; T111-F114 PolarHBondContact O-N 3Å; T111-L115 HydrophobicContact CG2-CD1 4.18Å; T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.2Å; T111-L115 PolarHBondContact O-N 3.47Å; T111-I250 HydrophobicContact CG2-CD1 4.05Å |
| 112 | V | 89.9 | Confident | 91.6 | Very high | 22 Ų | 22 | 22.5 Ų | 22.5 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.4 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | G108 G109 G110 F114 L115 S116 W210 F251 | G108-V112 PolarHBondContact O-N 3.07Å; G108-V112 VanDerWaalsContact O-N 3.13Å; G109-V112 PolarHBondContact O-N 3.24Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 3.48Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.16Å; V112-L115 PolarHBondContact O-N 3.32Å; V112-S116 PolarHBondContact O-N 3.15Å; V112-S116 PolarHBondContact O-OG 3.24Å; V112-S116 VanDerWaalsContact O-OG 3.12Å; V112-W210 HydrophobicContact CG1-CB 4.47Å; V112-W210 HydrophobicContact CG1-CD2 4.32Å; V112-W210 HydrophobicContact CG1-CG 4.17Å; V112-F251 HydrophobicContact CB-CZ 4.35Å; V112-F251 HydrophobicContact CG1-CE1 4.38Å; V112-F251 HydrophobicContact CG1-CZ 3.87Å; V112-F251 HydrophobicContact CG2-CE1 4.35Å; V112-F251 HydrophobicContact CG2-CE2 4.41Å; V112-F251 HydrophobicContact CG2-CZ 3.85Å |
| 113 | F | 91.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 25.2 Ų | 25.2 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 179.2 | -64.8 | -56.1 | 0 | 0 | 0 | 112.2 | G109 G110 S116 V117 T148 W210 | G109-F113 WeakPolarHBondContact O-CD2 3.49Å; G109-F113 PolarHBondContact O-N 3.21Å; G110-F113 PolarHBondContact O-N 3.39Å; G110-F113 VanDerWaalsContact O-N 3.15Å; F113-S116 WeakPolarHBondContact O-CB 3.21Å; F113-S116 PolarHBondContact O-N 2.84Å; F113-V117 WeakPolarHBondContact O-CG2 3.33Å; F113-V117 PolarHBondContact O-N 3.03Å; F113-T148 HydrophobicContact CB-CG2 3.73Å; F113-W210 HydrophobicContact CD1-CH2 4.45Å; F113-W210 HydrophobicContact CD1-CZ2 4.02Å; F113-W210 AromaticContact CE1-CZ2 3.82Å; F113-W210 HydrophobicContact CE1-CZ2 3.82Å |
| 114 | F | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.4 | -94.2 | -79.1 | 0 | 0 | 0 | 112.3 | L62 N65 L66 I69 G110 T111 V112 S116 V117 M118 V145 T148 | L62-F114 HydrophobicContact CD2-CD1 4.29Å; L62-F114 HydrophobicContact CD2-CE1 4.15Å; N65-F114 HydrophobicContact CB-CE1 3.52Å; N65-F114 HydrophobicContact CB-CZ 3.57Å; L66-F114 HydrophobicContact CD1-CB 4.01Å; I69-F114 HydrophobicContact CD1-CD2 3.33Å; I69-F114 HydrophobicContact CD1-CE2 3.21Å; I69-F114 HydrophobicContact CD1-CG 4.45Å; I69-F114 HydrophobicContact CD1-CZ 4.27Å; I69-F114 HydrophobicContact CG1-CE2 4.49Å; G110-F114 WeakPolarHBondContact O-CB 3.42Å; G110-F114 VanDerWaalsContact O-CD2 3.28Å; G110-F114 WeakPolarHBondContact O-CD2 3.38Å; G110-F114 PolarHBondContact O-N 2.97Å; T111-F114 PolarHBondContact O-N 3Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.16Å; F114-S116 PolarHBondContact O-N 2.67Å; F114-V117 PolarHBondContact O-N 2.92Å; F114-M118 VanDerWaalsContact O-CG 3.26Å; F114-M118 WeakPolarHBondContact O-CG 3.4Å; F114-M118 PolarHBondContact O-N 2.98Å; F114-V145 HydrophobicContact CE1-CG2 3.9Å; F114-V145 HydrophobicContact CZ-CB 4.39Å; F114-V145 HydrophobicContact CZ-CG1 4.1Å; F114-V145 HydrophobicContact CZ-CG2 4.09Å; F114-T148 HydrophobicContact CD2-CG2 4.2Å; F114-T148 WeakPolarHBondContact CD2-OG1 3.38Å; F114-T148 HydrophobicContact CE2-CG2 4.38Å; F114-T148 WeakPolarHBondContact CE2-OG1 2.92Å; F114-T148 HydrophobicContact CG-CG2 4.3Å; F114-T148 WeakPolarHBondContact CZ-OG1 3.22Å |
| 115 | L | 90 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -35.9 | 176.3 | -69.3 | 170 | 0 | 0 | 0 | 112.1 | L66 T111 V112 M118 A119 L214 V246 V247 I250 F251 | L66-L115 HydrophobicContact CD2-CD2 4.36Å; T111-L115 HydrophobicContact CG2-CD1 4.18Å; T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.2Å; T111-L115 PolarHBondContact O-N 3.47Å; V112-L115 PolarHBondContact O-N 3.32Å; L115-M118 PolarHBondContact O-N 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 3.33Å; L115-L214 HydrophobicContact CB-CD1 4.41Å; L115-V246 HydrophobicContact CD2-CG1 4.28Å; L115-V247 HydrophobicContact CD1-CG2 4.42Å; L115-I250 HydrophobicContact CD1-CD1 3.56Å; L115-F251 HydrophobicContact CD1-CE2 4.25Å |
| 116 | S | 91.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 23 Ų | 23 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | V112 F113 F114 M118 A119 Y120 W210 | V112-S116 PolarHBondContact O-N 3.15Å; V112-S116 PolarHBondContact O-OG 3.24Å; V112-S116 VanDerWaalsContact O-OG 3.12Å; F113-S116 WeakPolarHBondContact O-CB 3.21Å; F113-S116 PolarHBondContact O-N 2.84Å; F114-S116 PolarHBondContact O-N 2.67Å; S116-M118 VanDerWaalsContact C-N 3.32Å; S116-M118 PolarHBondContact O-N 3.33Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.43Å; S116-Y120 PolarHBondContact O-N 3.21Å; S116-W210 WeakPolarHBondContact OG-CZ3 3.37Å |
| 117 | V | 92.9 | Very high | 90.4 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 174.5 | 175 | 0 | 0 | 0 | 0 | 111.1 | L62 F113 F114 Y120 D121 L144 T148 | L62-V117 HydrophobicContact CD1-CG1 3.74Å; L62-V117 HydrophobicContact CD2-CG1 3.64Å; L62-V117 HydrophobicContact CG-CG1 4.36Å; F113-V117 WeakPolarHBondContact O-CG2 3.33Å; F113-V117 PolarHBondContact O-N 3.03Å; F114-V117 PolarHBondContact O-N 2.92Å; V117-Y120 WeakPolarHBondContact O-CB 3.23Å; V117-Y120 PolarHBondContact O-N 3.48Å; V117-D121 PolarHBondContact O-N 2.93Å; V117-L144 HydrophobicContact CG1-CB 3.92Å; V117-L144 HydrophobicContact CG1-CD1 3.9Å; V117-L144 HydrophobicContact CG1-CG 4.33Å; V117-L144 HydrophobicContact CG2-CB 4.37Å; V117-L144 HydrophobicContact CG2-CD2 4.31Å; V117-T148 HydrophobicContact CB-CG2 4.49Å; V117-T148 HydrophobicContact CG2-CG2 3.64Å |
| 118 | M | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 174 | -68.8 | 178.7 | 86.8 | 0 | 0 | 112.3 | M59 L62 L63 L66 F114 L115 S116 Y120 D121 R122 Y287 | M59-M118 HydrophobicContact CE-CE 4.17Å; M59-M118 HydrophobicContact CG-CE 4.48Å; L62-M118 HydrophobicContact CB-CG 4.02Å; L62-M118 HydrophobicContact CD1-CG 4.19Å; L63-M118 HydrophobicContact CB-CE 4.27Å; L63-M118 HydrophobicContact CD1-CE 4.17Å; L66-M118 HydrophobicContact CD2-SD 3.81Å; F114-M118 VanDerWaalsContact O-CG 3.26Å; F114-M118 WeakPolarHBondContact O-CG 3.4Å; F114-M118 PolarHBondContact O-N 2.98Å; L115-M118 PolarHBondContact O-N 3.3Å; S116-M118 VanDerWaalsContact C-N 3.32Å; S116-M118 PolarHBondContact O-N 3.33Å; M118-Y120 VanDerWaalsContact C-N 3.33Å; M118-D121 PolarHBondContact O-N 3.23Å; M118-R122 WeakPolarHBondContact O-CB 3.41Å; M118-R122 WeakPolarHBondContact O-CG 2.83Å; M118-R122 PolarHBondContact O-N 3.31Å; M118-R122 VanDerWaalsContact O-N 3.11Å; M118-Y287 HydrophobicContact CE-CE1 4.13Å |
| 119 | A | 90.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L115 S116 R122 Y123 L214 Y218 | L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 3.33Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.43Å; A119-R122 PolarHBondContact O-N 3.2Å; A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 PolarHBondContact O-N 2.93Å; A119-L214 HydrophobicContact CB-CD2 3.82Å; A119-Y218 WeakPolarHBondContact CA-OH 3.45Å; A119-Y218 HydrophobicContact CB-CE1 4.44Å; A119-Y218 HydrophobicContact CB-CE2 3.81Å; A119-Y218 PolarHBondContact N-OH 3.36Å |
| 120 | Y | 91.3 | Very high | 89.6 | Confident | 101 Ų | 101 | 38.6 Ų | 38.6 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 175 | 178 | -102.2 | 0 | 0 | 0 | 112.5 | S116 V117 M118 R122 Y123 I124 M136 | S116-Y120 PolarHBondContact O-N 3.21Å; V117-Y120 WeakPolarHBondContact O-CB 3.23Å; V117-Y120 PolarHBondContact O-N 3.48Å; M118-Y120 VanDerWaalsContact C-N 3.33Å; Y120-R122 VanDerWaalsContact C-N 3.26Å; Y120-R122 PolarHBondContact O-N 2.91Å; Y120-Y123 WeakPolarHBondContact O-CB 3.3Å; Y120-Y123 PolarHBondContact O-N 3.33Å; Y120-I124 HydrophobicContact CD1-CG1 4.45Å; Y120-I124 HydrophobicContact CD2-CG1 4.36Å; Y120-I124 HydrophobicContact CE1-CG1 4.01Å; Y120-I124 HydrophobicContact CE2-CD1 3.96Å; Y120-I124 HydrophobicContact CE2-CG1 3.9Å; Y120-I124 WeakPolarHBondContact O-CG1 3.25Å; Y120-I124 PolarHBondContact O-N 2.93Å; Y120-M136 HydrophobicContact CD1-SD 4.22Å; Y120-M136 HydrophobicContact CE1-SD 4.04Å |
| 121 | D | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -50.8 | -49.5 | 173 | 168.9 | 82.8 | 0 | 0 | 0 | 111.1 | L62 V117 M118 Y123 I124 A125 Y132 M136 | L62-D121 HydrophobicContact CD1-CB 4.25Å; V117-D121 PolarHBondContact O-N 2.93Å; M118-D121 PolarHBondContact O-N 3.23Å; D121-Y123 PolarHBondContact O-N 2.91Å; D121-I124 PolarHBondContact O-N 3.43Å; D121-A125 WeakPolarHBondContact O-CB 3.33Å; D121-A125 PolarHBondContact O-N 2.98Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.25Å; D121-Y132 PolarHBondContact OD1-OH 3.44Å; D121-M136 HydrophobicContact CB-CE 3.77Å; D121-M136 WeakPolarHBondContact OD1-CE 3.38Å |
| 122 | R | 88.4 | Confident | 89.5 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | -177.5 | -71 | -74.4 | 171 | -120 | 28 | 112.4 | M59 M118 A119 Y120 I126 I221 | M59-R122 VanDerWaalsContact CG-CZ 3.44Å; M59-R122 VanDerWaalsContact CG-NH2 3.34Å; M59-R122 PolarHBondContact SD-NH2 2.86Å; M118-R122 WeakPolarHBondContact O-CB 3.41Å; M118-R122 WeakPolarHBondContact O-CG 2.83Å; M118-R122 PolarHBondContact O-N 3.31Å; M118-R122 VanDerWaalsContact O-N 3.11Å; A119-R122 PolarHBondContact O-N 3.2Å; Y120-R122 VanDerWaalsContact C-N 3.26Å; Y120-R122 PolarHBondContact O-N 2.91Å; R122-I126 WeakPolarHBondContact O-CG1 3.44Å; R122-I126 PolarHBondContact O-N 3.45Å; R122-I221 HydrophobicContact CB-CD1 4.24Å |
| 123 | Y | 88.8 | Confident | 89.3 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 37% | 0.365 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.8 | -54 | 173.7 | 176.1 | -97.5 | 0 | 0 | 0 | 110.8 | A119 Y120 D121 A125 I126 S127 I221 M224 | A119-Y123 WeakPolarHBondContact O-CB 3.41Å; A119-Y123 PolarHBondContact O-N 2.93Å; Y120-Y123 WeakPolarHBondContact O-CB 3.3Å; Y120-Y123 PolarHBondContact O-N 3.33Å; D121-Y123 PolarHBondContact O-N 2.91Å; Y123-A125 VanDerWaalsContact C-N 3.33Å; Y123-A125 PolarHBondContact O-N 3.42Å; Y123-I126 PolarHBondContact O-N 3.12Å; Y123-I126 VanDerWaalsContact O-N 3.15Å; Y123-S127 WeakPolarHBondContact O-CB 3.32Å; Y123-S127 PolarHBondContact O-N 3.41Å; Y123-S127 PolarHBondContact O-OG 3.2Å; Y123-I221 HydrophobicContact CD2-CG1 4.32Å; Y123-M224 HydrophobicContact CD2-CE 3.82Å; Y123-M224 HydrophobicContact CE2-CE 3.83Å; Y123-M224 HydrophobicContact CE2-SD 4.5Å |
| 124 | I | 90.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | -178.8 | -60.3 | -63 | 0 | 0 | 0 | 111.5 | Y120 D121 I126 Q128 Y132 I135 | Y120-I124 HydrophobicContact CD1-CG1 4.45Å; Y120-I124 HydrophobicContact CD2-CG1 4.36Å; Y120-I124 HydrophobicContact CE1-CG1 4.01Å; Y120-I124 HydrophobicContact CE2-CD1 3.96Å; Y120-I124 HydrophobicContact CE2-CG1 3.9Å; Y120-I124 WeakPolarHBondContact O-CG1 3.25Å; Y120-I124 PolarHBondContact O-N 2.93Å; D121-I124 PolarHBondContact O-N 3.43Å; I124-I126 PolarHBondContact O-N 3.4Å; I124-Q128 CarbonylContact O-C 3.41Å; I124-Q128 WeakPolarHBondContact O-CA 3.44Å; I124-Q128 PolarHBondContact O-N 2.95Å; I124-Y132 HydrophobicContact CB-CD2 4.49Å; I124-Y132 HydrophobicContact CG2-CD2 4.09Å; I124-I135 HydrophobicContact CG2-CB 4.17Å; I124-I135 HydrophobicContact CG2-CD1 3.89Å; I124-I135 HydrophobicContact CG2-CG2 4.03Å |
| 125 | A | 88.6 | Confident | 89.2 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -30.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D121 Y123 Y132 | D121-A125 WeakPolarHBondContact O-CB 3.33Å; D121-A125 PolarHBondContact O-N 2.98Å; Y123-A125 VanDerWaalsContact C-N 3.33Å; Y123-A125 PolarHBondContact O-N 3.42Å; A125-Y132 VanDerWaalsContact CA-CD2 3.47Å; A125-Y132 HydrophobicContact CB-CD2 3.71Å; A125-Y132 HydrophobicContact CB-CE2 3.68Å; A125-Y132 HydrophobicContact CB-CG 4.37Å |
| 126 | I | 85.6 | Confident | 89.2 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -98.6 | -39.9 | -176.5 | -68.3 | 167.7 | 0 | 0 | 0 | 111.7 | R122 Y123 I124 I221 M224 L225 | R122-I126 WeakPolarHBondContact O-CG1 3.44Å; R122-I126 PolarHBondContact O-N 3.45Å; Y123-I126 PolarHBondContact O-N 3.12Å; Y123-I126 VanDerWaalsContact O-N 3.15Å; I124-I126 PolarHBondContact O-N 3.4Å; I126-I221 HydrophobicContact CD1-CG2 3.31Å; I126-M224 HydrophobicContact CG2-CB 4.12Å; I126-M224 HydrophobicContact CG2-CE 4.17Å; I126-L225 HydrophobicContact CD1-CD1 4.1Å; I126-L225 HydrophobicContact CD1-CD2 3.93Å; I126-L225 HydrophobicContact CD1-CG 4.09Å; I126-L225 HydrophobicContact CG1-CD2 4.28Å; I126-L225 HydrophobicContact CG2-CD2 4.2Å; I126-L225 HydrophobicContact CG2-CG 4.41Å |
| 127 | S | 85.6 | Confident | 89.2 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -78.4 | -31.1 | -178 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | Y123 | Y123-S127 WeakPolarHBondContact O-CB 3.32Å; Y123-S127 PolarHBondContact O-N 3.41Å; Y123-S127 PolarHBondContact O-OG 3.2Å |
| 128 | Q | 86.2 | Confident | 89.1 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | trans | -137.9 | 60.4 | -175.2 | -62.9 | -171.9 | -12.5 | 0 | 0 | 112.6 | I124 L130 H131 Y132 | I124-Q128 CarbonylContact O-C 3.41Å; I124-Q128 WeakPolarHBondContact O-CA 3.44Å; I124-Q128 PolarHBondContact O-N 2.95Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.22Å; Q128-H131 PolarHBondContact O-N 3.23Å; Q128-Y132 PolarHBondContact O-N 3.46Å | ||
| 129 | P | 84.6 | Confident | 89.1 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.3 | -172.8 | 23.4 | -34.3 | 0 | 0 | 0 | 113.9 | H131 | P129-H131 VanDerWaalsContact C-N 3.34Å; P129-H131 PolarHBondContact O-N 3.2Å |
| 130 | L | 87.9 | Confident | 89.3 | Confident | 164 Ų | 164 | 72.4 Ų | 72.4 | 86% | 0.859 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -27.5 | 179.3 | -66.3 | 175.2 | 0 | 0 | 0 | 113.5 | Q128 | Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.22Å |
| 131 | H | 90.1 | Very high | 89.3 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -4.3 | -178.5 | -66.3 | 88.2 | 0 | 0 | 0 | 112.7 | Q128 P129 V133 T134 I135 | Q128-H131 PolarHBondContact O-N 3.23Å; P129-H131 VanDerWaalsContact C-N 3.34Å; P129-H131 PolarHBondContact O-N 3.2Å; H131-V133 VanDerWaalsContact C-N 3.33Å; H131-V133 PolarHBondContact O-N 2.92Å; H131-T134 PolarHBondContact O-N 2.99Å; H131-T134 VanDerWaalsContact O-N 3.08Å; H131-I135 HydrophobicContact CB-CD1 3.81Å; H131-I135 HydrophobicContact CB-CG1 4.31Å; H131-I135 WeakPolarHBondContact O-CG1 3.1Å; H131-I135 PolarHBondContact O-N 3.28Å |
| 132 | Y | 89.8 | Confident | 89.5 | Confident | 37 Ų | 37 | 71 Ų | 71 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -51.8 | -47.6 | -174.8 | 172.7 | -105.8 | 0 | 0 | 0 | 113.1 | D121 I124 A125 Q128 T134 I135 M136 | D121-Y132 WeakPolarHBondContact OD1-CE2 3.25Å; D121-Y132 PolarHBondContact OD1-OH 3.44Å; I124-Y132 HydrophobicContact CB-CD2 4.49Å; I124-Y132 HydrophobicContact CG2-CD2 4.09Å; A125-Y132 VanDerWaalsContact CA-CD2 3.47Å; A125-Y132 HydrophobicContact CB-CD2 3.71Å; A125-Y132 HydrophobicContact CB-CE2 3.68Å; A125-Y132 HydrophobicContact CB-CG 4.37Å; Q128-Y132 PolarHBondContact O-N 3.46Å; Y132-T134 VanDerWaalsContact C-N 3.31Å; Y132-T134 PolarHBondContact O-N 3.49Å; Y132-I135 PolarHBondContact O-N 2.92Å; Y132-M136 HydrophobicContact CD2-CB 4.22Å; Y132-M136 HydrophobicContact CD2-CG 4.11Å; Y132-M136 HydrophobicContact CE2-CB 3.83Å; Y132-M136 HydrophobicContact CE2-CG 3.73Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 3.19Å |
| 133 | V | 87 | Confident | 89.8 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 70% | 0.697 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.6 | -32.7 | -176.8 | -176.6 | 0 | 0 | 0 | 0 | 112 | H131 | H131-V133 VanDerWaalsContact C-N 3.33Å; H131-V133 PolarHBondContact O-N 2.92Å |
| 134 | T | 89.8 | Confident | 90.1 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 63% | 0.632 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -74.8 | -40.7 | 178 | -48.7 | 0 | 0 | 0 | 0 | 111.3 | H131 Y132 N137 | H131-T134 PolarHBondContact O-N 2.99Å; H131-T134 VanDerWaalsContact O-N 3.08Å; Y132-T134 VanDerWaalsContact C-N 3.31Å; Y132-T134 PolarHBondContact O-N 3.49Å; T134-N137 PolarHBondContact O-ND2 3.33Å; T134-N137 VanDerWaalsContact O-ND2 3.08Å |
| 135 | I | 90.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.5 | -61.3 | 179.5 | -62.7 | 167.4 | 0 | 0 | 0 | 110 | I124 H131 Y132 N137 L140 | I124-I135 HydrophobicContact CG2-CB 4.17Å; I124-I135 HydrophobicContact CG2-CD1 3.89Å; I124-I135 HydrophobicContact CG2-CG2 4.03Å; H131-I135 HydrophobicContact CB-CD1 3.81Å; H131-I135 HydrophobicContact CB-CG1 4.31Å; H131-I135 WeakPolarHBondContact O-CG1 3.1Å; H131-I135 PolarHBondContact O-N 3.28Å; Y132-I135 PolarHBondContact O-N 2.92Å; I135-N137 PolarHBondContact O-N 3.38Å; I135-L140 HydrophobicContact CG2-CD2 4.41Å; I135-L140 WeakPolarHBondContact O-CD2 3.25Å |
| 136 | M | 91.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -82.7 | 54 | 179.9 | -70.6 | -64.1 | -69.9 | 0 | 0 | 111.6 | P58 L62 Y120 D121 Y132 L140 L144 | P58-M136 HydrophobicContact CB-CB 4.23Å; P58-M136 HydrophobicContact CB-CE 3.94Å; P58-M136 HydrophobicContact CG-CB 3.98Å; P58-M136 WeakPolarHBondContact CG-O 3.11Å; L62-M136 HydrophobicContact CD1-CE 4.46Å; Y120-M136 HydrophobicContact CD1-SD 4.22Å; Y120-M136 HydrophobicContact CE1-SD 4.04Å; D121-M136 HydrophobicContact CB-CE 3.77Å; D121-M136 WeakPolarHBondContact OD1-CE 3.38Å; Y132-M136 HydrophobicContact CD2-CB 4.22Å; Y132-M136 HydrophobicContact CD2-CG 4.11Å; Y132-M136 HydrophobicContact CE2-CB 3.83Å; Y132-M136 HydrophobicContact CE2-CG 3.73Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 3.19Å; M136-L140 HydrophobicContact SD-CD2 4.08Å; M136-L144 HydrophobicContact CE-CD1 4.31Å; M136-L144 HydrophobicContact SD-CD1 4.29Å |
| 137 | N | 91.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | trans | -76.5 | 169.7 | 173.7 | 69.1 | 51.2 | 0 | 0 | 0 | 111.6 | T134 I135 Q139 L140 C141 | T134-N137 PolarHBondContact O-ND2 3.33Å; T134-N137 VanDerWaalsContact O-ND2 3.08Å; I135-N137 PolarHBondContact O-N 3.38Å; N137-Q139 VanDerWaalsContact C-N 3.33Å; N137-Q139 PolarHBondContact O-N 3.29Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.38Å; N137-Q139 PolarHBondContact OD1-N 3.42Å; N137-L140 PolarHBondContact O-N 3.25Å; N137-L140 PolarHBondContact OD1-N 2.99Å; N137-C141 PolarHBondContact O-N 3.24Å; N137-C141 PolarHBondContact O-SG 3.4Å | ||
| 138 | T | 88.8 | Confident | 91.6 | Very high | 115 Ų | 115 | 70.6 Ų | 70.6 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.4 | -38.9 | -176.8 | -51 | 0 | 0 | 0 | 0 | 113.2 | C141 V142 | T138-C141 PolarHBondContact O-N 2.89Å; T138-V142 HydrophobicContact CG2-CG2 4.46Å; T138-V142 WeakPolarHBondContact O-CG2 3.48Å; T138-V142 PolarHBondContact O-N 3.43Å |
| 139 | Q | 92.9 | Very high | 92 | Very high | 171 Ų | 171 | 69.7 Ų | 69.7 | 80% | 0.799 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | -179.3 | -66.6 | -179.1 | -10.6 | 0 | 0 | 111.1 | N137 V142 G143 | N137-Q139 VanDerWaalsContact C-N 3.33Å; N137-Q139 PolarHBondContact O-N 3.29Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.38Å; N137-Q139 PolarHBondContact OD1-N 3.42Å; Q139-V142 PolarHBondContact O-N 2.9Å; Q139-G143 PolarHBondContact O-N 2.95Å |
| 140 | L | 93.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 69.6 Ų | 69.6 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.6 | -179.1 | 62.5 | 0 | 0 | 0 | 110.8 | I135 M136 N137 V142 G143 L144 | I135-L140 HydrophobicContact CG2-CD2 4.41Å; I135-L140 WeakPolarHBondContact O-CD2 3.25Å; M136-L140 HydrophobicContact SD-CD2 4.08Å; N137-L140 PolarHBondContact O-N 3.25Å; N137-L140 PolarHBondContact OD1-N 2.99Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-V142 PolarHBondContact O-N 2.94Å; L140-G143 PolarHBondContact O-N 3.36Å; L140-L144 HydrophobicContact CD1-CD1 4.13Å; L140-L144 HydrophobicContact CD1-CG 4.04Å; L140-L144 HydrophobicContact CD2-CD1 4.29Å; L140-L144 HydrophobicContact CG-CD1 3.75Å; L140-L144 HydrophobicContact CG-CG 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 VanDerWaalsContact O-CG 3.24Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 2.95Å |
| 141 | C | 92.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 178.4 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | P58 F61 N137 T138 L144 V145 | P58-C141 VanDerWaalsContact CB-SG 3.57Å; F61-C141 HydrophobicContact CD1-CB 4.04Å; F61-C141 HydrophobicContact CE1-CB 4.21Å; N137-C141 PolarHBondContact O-N 3.24Å; N137-C141 PolarHBondContact O-SG 3.4Å; T138-C141 PolarHBondContact O-N 2.89Å; C141-L144 PolarHBondContact O-N 3.34Å; C141-V145 WeakPolarHBondContact O-CG2 3.17Å; C141-V145 PolarHBondContact O-N 3.03Å |
| 142 | V | 94.3 | Very high | 93 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F61 T138 Q139 L140 L144 V145 V146 | F61-V142 HydrophobicContact CE1-CG2 4.43Å; F61-V142 HydrophobicContact CZ-CG2 4.18Å; T138-V142 HydrophobicContact CG2-CG2 4.46Å; T138-V142 WeakPolarHBondContact O-CG2 3.48Å; T138-V142 PolarHBondContact O-N 3.43Å; Q139-V142 PolarHBondContact O-N 2.9Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-V142 PolarHBondContact O-N 2.94Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 3.18Å; V142-V145 PolarHBondContact O-N 2.95Å; V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.48Å |
| 143 | G | 96.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q139 L140 V146 A147 | Q139-G143 PolarHBondContact O-N 2.95Å; L140-G143 PolarHBondContact O-N 3.36Å; G143-V146 PolarHBondContact O-N 2.87Å; G143-A147 WeakPolarHBondContact O-CB 3.34Å; G143-A147 PolarHBondContact O-N 3.18Å |
| 144 | L | 95 | Very high | 93.6 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.2 | -70.4 | 167.9 | 0 | 0 | 0 | 111.7 | V117 M136 L140 C141 V142 A147 T148 | V117-L144 HydrophobicContact CG1-CB 3.92Å; V117-L144 HydrophobicContact CG1-CD1 3.9Å; V117-L144 HydrophobicContact CG1-CG 4.33Å; V117-L144 HydrophobicContact CG2-CB 4.37Å; V117-L144 HydrophobicContact CG2-CD2 4.31Å; M136-L144 HydrophobicContact CE-CD1 4.31Å; M136-L144 HydrophobicContact SD-CD1 4.29Å; L140-L144 HydrophobicContact CD1-CD1 4.13Å; L140-L144 HydrophobicContact CD1-CG 4.04Å; L140-L144 HydrophobicContact CD2-CD1 4.29Å; L140-L144 HydrophobicContact CG-CD1 3.75Å; L140-L144 HydrophobicContact CG-CG 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 VanDerWaalsContact O-CG 3.24Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 2.95Å; C141-L144 PolarHBondContact O-N 3.34Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 3.18Å; L144-A147 PolarHBondContact O-N 3.02Å; L144-T148 VanDerWaalsContact O-CG2 3.23Å; L144-T148 WeakPolarHBondContact O-CG2 3.46Å; L144-T148 PolarHBondContact O-N 3.17Å; L144-T148 PolarHBondContact O-OG1 3.25Å |
| 145 | V | 95.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 174 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | F61 L62 F114 C141 V142 A147 T148 W149 | F61-V145 HydrophobicContact CD1-CG2 4.24Å; F61-V145 HydrophobicContact CE1-CB 4.48Å; F61-V145 HydrophobicContact CE1-CG2 3.63Å; F61-V145 HydrophobicContact CZ-CG2 4.45Å; L62-V145 HydrophobicContact CD2-CG2 3.97Å; F114-V145 HydrophobicContact CE1-CG2 3.9Å; F114-V145 HydrophobicContact CZ-CB 4.39Å; F114-V145 HydrophobicContact CZ-CG1 4.1Å; F114-V145 HydrophobicContact CZ-CG2 4.09Å; C141-V145 WeakPolarHBondContact O-CG2 3.17Å; C141-V145 PolarHBondContact O-N 3.03Å; V142-V145 PolarHBondContact O-N 2.95Å; V145-A147 VanDerWaalsContact C-N 3.32Å; V145-A147 PolarHBondContact O-N 3.42Å; V145-T148 PolarHBondContact O-N 3.14Å; V145-T148 PolarHBondContact O-OG1 3.07Å; V145-W149 PolarHBondContact O-N 3.09Å |
| 146 | V | 96.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177 | 173 | 0 | 0 | 0 | 0 | 110.4 | V142 G143 T148 W149 V150 | V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.48Å; G143-V146 PolarHBondContact O-N 2.87Å; V146-T148 VanDerWaalsContact C-N 3.34Å; V146-T148 PolarHBondContact O-N 3.48Å; V146-W149 PolarHBondContact O-N 3.07Å; V146-V150 HydrophobicContact CG1-CG2 4.21Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.48Å; V146-V150 PolarHBondContact O-N 3.08Å |
| 147 | A | 95.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G143 L144 V145 V150 G151 | G143-A147 WeakPolarHBondContact O-CB 3.34Å; G143-A147 PolarHBondContact O-N 3.18Å; L144-A147 PolarHBondContact O-N 3.02Å; V145-A147 VanDerWaalsContact C-N 3.32Å; V145-A147 PolarHBondContact O-N 3.42Å; A147-V150 PolarHBondContact O-N 3.3Å; A147-G151 PolarHBondContact O-N 3.45Å |
| 148 | T | 94 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | F113 F114 V117 L144 V145 V146 G151 G152 | F113-T148 HydrophobicContact CB-CG2 3.73Å; F114-T148 HydrophobicContact CD2-CG2 4.2Å; F114-T148 WeakPolarHBondContact CD2-OG1 3.38Å; F114-T148 HydrophobicContact CE2-CG2 4.38Å; F114-T148 WeakPolarHBondContact CE2-OG1 2.92Å; F114-T148 HydrophobicContact CG-CG2 4.3Å; F114-T148 WeakPolarHBondContact CZ-OG1 3.22Å; V117-T148 HydrophobicContact CB-CG2 4.49Å; V117-T148 HydrophobicContact CG2-CG2 3.64Å; L144-T148 VanDerWaalsContact O-CG2 3.23Å; L144-T148 WeakPolarHBondContact O-CG2 3.46Å; L144-T148 PolarHBondContact O-N 3.17Å; L144-T148 PolarHBondContact O-OG1 3.25Å; V145-T148 PolarHBondContact O-N 3.14Å; V145-T148 PolarHBondContact O-OG1 3.07Å; V146-T148 VanDerWaalsContact C-N 3.34Å; V146-T148 PolarHBondContact O-N 3.48Å; T148-G151 PolarHBondContact O-N 2.68Å; T148-G152 PolarHBondContact O-N 3.17Å |
| 149 | W | 95.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 28% | 0.284 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 173.9 | -80.8 | 105.8 | 0 | 0 | 0 | 112.3 | I69 L106 L107 V145 V146 G151 G152 F153 | I69-W149 HydrophobicContact CD1-CH2 4.3Å; I69-W149 HydrophobicContact CD1-CZ2 3.95Å; I69-W149 HydrophobicContact CG1-CH2 3.72Å; I69-W149 HydrophobicContact CG1-CZ2 3.56Å; L106-W149 HydrophobicContact CD1-CE3 4.44Å; L107-W149 HydrophobicContact CD2-CH2 3.92Å; L107-W149 HydrophobicContact CD2-CZ3 3.9Å; V145-W149 PolarHBondContact O-N 3.09Å; V146-W149 PolarHBondContact O-N 3.07Å; W149-G151 VanDerWaalsContact C-N 3.35Å; W149-G152 PolarHBondContact O-N 3.37Å; W149-F153 WeakPolarHBondContact O-CB 3.34Å; W149-F153 PolarHBondContact O-N 2.93Å |
| 150 | V | 96.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V146 A147 G152 F153 V154 | V146-V150 HydrophobicContact CG1-CG2 4.21Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.48Å; V146-V150 PolarHBondContact O-N 3.08Å; A147-V150 PolarHBondContact O-N 3.3Å; V150-G152 PolarHBondContact O-N 2.86Å; V150-F153 WeakPolarHBondContact O-CB 3.34Å; V150-F153 PolarHBondContact O-N 3.15Å; V150-V154 HydrophobicContact CG1-CG2 4.34Å; V150-V154 WeakPolarHBondContact O-CG2 3.25Å; V150-V154 PolarHBondContact O-N 3.42Å |
| 151 | G | 93.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A147 T148 W149 F153 V154 H155 | A147-G151 PolarHBondContact O-N 3.45Å; T148-G151 PolarHBondContact O-N 2.68Å; W149-G151 VanDerWaalsContact C-N 3.35Å; G151-F153 VanDerWaalsContact C-N 3.31Å; G151-F153 PolarHBondContact O-N 2.9Å; G151-V154 PolarHBondContact O-N 3.38Å; G151-H155 WeakPolarHBondContact O-CB 3.46Å; G151-H155 PolarHBondContact O-N 3.5Å |
| 152 | G | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T148 W149 V150 H155 S156 | T148-G152 PolarHBondContact O-N 3.17Å; W149-G152 PolarHBondContact O-N 3.37Å; V150-G152 PolarHBondContact O-N 2.86Å; G152-H155 PolarHBondContact O-N 3.32Å; G152-S156 WeakPolarHBondContact O-CB 3.09Å; G152-S156 PolarHBondContact O-N 2.94Å |
| 153 | F | 94.9 | Very high | 92.6 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 177.4 | 179.9 | -96.3 | 0 | 0 | 0 | 112.2 | F102 L106 W149 V150 G151 H155 S156 I157 | F102-F153 HydrophobicContact CE2-CD2 4.18Å; F102-F153 HydrophobicContact CE2-CE2 4.05Å; F102-F153 AromaticContact CZ-CD2 3.85Å; F102-F153 HydrophobicContact CZ-CD2 3.85Å; F102-F153 AromaticContact CZ-CE2 3.77Å; F102-F153 HydrophobicContact CZ-CE2 3.77Å; L106-F153 HydrophobicContact CD1-CB 3.87Å; L106-F153 VanDerWaalsContact CD1-N 3.3Å; W149-F153 WeakPolarHBondContact O-CB 3.34Å; W149-F153 PolarHBondContact O-N 2.93Å; V150-F153 WeakPolarHBondContact O-CB 3.34Å; V150-F153 PolarHBondContact O-N 3.15Å; G151-F153 VanDerWaalsContact C-N 3.31Å; G151-F153 PolarHBondContact O-N 2.9Å; F153-H155 VanDerWaalsContact C-N 3.32Å; F153-H155 PolarHBondContact O-N 3.29Å; F153-S156 PolarHBondContact O-N 2.9Å; F153-I157 HydrophobicContact CD1-CG1 4.14Å; F153-I157 HydrophobicContact CE1-CD1 4.4Å; F153-I157 HydrophobicContact CE1-CG1 3.72Å; F153-I157 HydrophobicContact CE2-CD1 4.23Å; F153-I157 HydrophobicContact CE2-CG1 4.14Å; F153-I157 HydrophobicContact CZ-CD1 3.92Å; F153-I157 HydrophobicContact CZ-CG1 3.72Å; F153-I157 WeakPolarHBondContact O-CG1 3.27Å; F153-I157 PolarHBondContact O-N 3.45Å |
| 154 | V | 94.2 | Very high | 92.1 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.2 | 172 | 0 | 0 | 0 | 0 | 110.4 | V150 G151 S156 I157 V158 | V150-V154 HydrophobicContact CG1-CG2 4.34Å; V150-V154 WeakPolarHBondContact O-CG2 3.25Å; V150-V154 PolarHBondContact O-N 3.42Å; G151-V154 PolarHBondContact O-N 3.38Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.44Å; V154-I157 PolarHBondContact O-N 3.42Å; V154-V158 HydrophobicContact CG1-CG2 4.5Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3Å |
| 155 | H | 91.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.181 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 176.5 | 178.7 | 70.9 | 0 | 0 | 0 | 111.5 | H105 G151 G152 F153 V158 Q159 | H105-H155 AromaticContact CD2-NE2 3.63Å; G151-H155 WeakPolarHBondContact O-CB 3.46Å; G151-H155 PolarHBondContact O-N 3.5Å; G152-H155 PolarHBondContact O-N 3.32Å; F153-H155 VanDerWaalsContact C-N 3.32Å; F153-H155 PolarHBondContact O-N 3.29Å; H155-V158 PolarHBondContact O-N 2.98Å; H155-Q159 PolarHBondContact CE1-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3.49Å; H155-Q159 VanDerWaalsContact O-N 3.13Å |
| 156 | S | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.3 | -171.7 | 0 | 0 | 0 | 0 | 113.4 | F102 G152 F153 V154 V158 Q159 L160 | F102-S156 VanDerWaalsContact CA-OG 3.28Å; F102-S156 WeakPolarHBondContact CA-OG 3.25Å; F102-S156 WeakPolarHBondContact CD2-OG 3.18Å; F102-S156 PolarHBondContact O-OG 2.98Å; G152-S156 WeakPolarHBondContact O-CB 3.09Å; G152-S156 PolarHBondContact O-N 2.94Å; F153-S156 PolarHBondContact O-N 2.9Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 3.44Å; S156-V158 PolarHBondContact O-N 3.42Å; S156-Q159 PolarHBondContact O-N 3.49Å; S156-L160 PolarHBondContact O-N 3.11Å |
| 157 | I | 93.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.6 | -68.8 | -64 | 0 | 0 | 0 | 111.3 | F102 F153 V154 Q159 L160 A161 | F102-I157 HydrophobicContact CE2-CD1 3.95Å; F102-I157 HydrophobicContact CE2-CG1 4.46Å; F153-I157 HydrophobicContact CD1-CG1 4.14Å; F153-I157 HydrophobicContact CE1-CD1 4.4Å; F153-I157 HydrophobicContact CE1-CG1 3.72Å; F153-I157 HydrophobicContact CE2-CD1 4.23Å; F153-I157 HydrophobicContact CE2-CG1 4.14Å; F153-I157 HydrophobicContact CZ-CD1 3.92Å; F153-I157 HydrophobicContact CZ-CG1 3.72Å; F153-I157 WeakPolarHBondContact O-CG1 3.27Å; F153-I157 PolarHBondContact O-N 3.45Å; V154-I157 PolarHBondContact O-N 3.42Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 2.87Å; I157-L160 PolarHBondContact O-N 3.26Å; I157-A161 VanDerWaalsContact O-CB 3.24Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.02Å |
| 158 | V | 90.7 | Very high | 89.5 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V154 H155 S156 A161 L162 | V154-V158 HydrophobicContact CG1-CG2 4.5Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3Å; H155-V158 PolarHBondContact O-N 2.98Å; S156-V158 PolarHBondContact O-N 3.42Å; V158-A161 PolarHBondContact O-N 2.89Å; V158-L162 HydrophobicContact CG1-CD1 4.35Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.18Å; V158-L162 PolarHBondContact O-N 2.92Å |
| 159 | Q | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.3 | -62 | -61 | -20.5 | 0 | 0 | 112 | H155 S156 I157 A161 L162 I163 N202 S203 | H155-Q159 PolarHBondContact CE1-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3.49Å; H155-Q159 VanDerWaalsContact O-N 3.13Å; S156-Q159 PolarHBondContact O-N 3.49Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 2.87Å; Q159-A161 PolarHBondContact O-N 3.22Å; Q159-L162 PolarHBondContact O-N 3.19Å; Q159-I163 VanDerWaalsContact O-CD1 3.27Å; Q159-I163 WeakPolarHBondContact O-CD1 3.3Å; Q159-I163 VanDerWaalsContact O-CG1 3.23Å; Q159-I163 WeakPolarHBondContact O-CG1 3.38Å; Q159-I163 PolarHBondContact O-N 3.43Å; Q159-N202 PolarHBondContact NE2-ND2 2.7Å; Q159-S203 PolarHBondContact NE2-OG 3.36Å |
| 160 | L | 89.1 | Confident | 87 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 177.9 | -80.1 | -174 | 0 | 0 | 0 | 112.8 | M98 I101 F102 S156 I157 L162 I163 L164 | M98-L160 HydrophobicContact CB-CD2 4.47Å; M98-L160 HydrophobicContact SD-CD2 4.35Å; I101-L160 HydrophobicContact CG2-CD2 4.16Å; F102-L160 HydrophobicContact CB-CD1 3.91Å; F102-L160 HydrophobicContact CB-CG 4.43Å; F102-L160 HydrophobicContact CD2-CD1 3.59Å; F102-L160 HydrophobicContact CD2-CG 4.42Å; F102-L160 HydrophobicContact CG-CD1 4.12Å; S156-L160 PolarHBondContact O-N 3.11Å; I157-L160 PolarHBondContact O-N 3.26Å; L160-L162 PolarHBondContact O-N 3.42Å; L160-I163 PolarHBondContact O-N 3.13Å; L160-L164 HydrophobicContact CB-CD1 4.24Å; L160-L164 HydrophobicContact CB-CG 4.47Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.24Å; L160-L164 PolarHBondContact O-N 3.49Å |
| 161 | A | 88.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 45.1 Ų | 45.1 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I157 V158 Q159 P165 | I157-A161 VanDerWaalsContact O-CB 3.24Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.02Å; V158-A161 PolarHBondContact O-N 2.89Å; Q159-A161 PolarHBondContact O-N 3.22Å; A161-P165 WeakPolarHBondContact O-CD 3.37Å; A161-P165 WeakPolarHBondContact O-CG 3.46Å |
| 162 | L | 85.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.8 | -31.9 | 174 | -66.3 | 171.4 | 0 | 0 | 0 | 112.3 | V158 Q159 L160 L195 M199 | V158-L162 HydrophobicContact CG1-CD1 4.35Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.18Å; V158-L162 PolarHBondContact O-N 2.92Å; Q159-L162 PolarHBondContact O-N 3.19Å; L160-L162 PolarHBondContact O-N 3.42Å; L162-L195 HydrophobicContact CB-CD1 4.06Å; L162-L195 HydrophobicContact CB-CD2 4.47Å; L162-L195 HydrophobicContact CB-CG 4.4Å; L162-L195 HydrophobicContact CD2-CD1 3.86Å; L162-L195 HydrophobicContact CG-CD1 4.49Å; L162-L195 VanDerWaalsContact O-CD2 3.31Å; L162-L195 WeakPolarHBondContact O-CD2 3.26Å; L162-M199 HydrophobicContact CD1-CG 4.26Å |
| 163 | I | 85.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -92.7 | -43.1 | -172.1 | -59.4 | 160.2 | 0 | 0 | 0 | 112.8 | M98 I101 Q159 L160 P165 L166 F168 V181 I184 L185 | M98-I163 HydrophobicContact CE-CG2 4.16Å; M98-I163 HydrophobicContact SD-CG2 4.06Å; I101-I163 HydrophobicContact CD1-CD1 4.45Å; I101-I163 HydrophobicContact CG2-CD1 4.12Å; Q159-I163 VanDerWaalsContact O-CD1 3.27Å; Q159-I163 WeakPolarHBondContact O-CD1 3.3Å; Q159-I163 VanDerWaalsContact O-CG1 3.23Å; Q159-I163 WeakPolarHBondContact O-CG1 3.38Å; Q159-I163 PolarHBondContact O-N 3.43Å; L160-I163 PolarHBondContact O-N 3.13Å; I163-P165 VanDerWaalsContact C-N 3.31Å; I163-L166 VanDerWaalsContact O-CB 3.3Å; I163-L166 WeakPolarHBondContact O-CB 3.38Å; I163-L166 PolarHBondContact O-N 2.99Å; I163-F168 HydrophobicContact CG2-CZ 4.01Å; I163-V181 HydrophobicContact CD1-CB 3.91Å; I163-V181 HydrophobicContact CD1-CG1 3.28Å; I163-V181 HydrophobicContact CD1-CG2 3.45Å; I163-V181 VanDerWaalsContact CD1-CG2 3.45Å; I163-V181 HydrophobicContact CG1-CG1 3.57Å; I163-I184 HydrophobicContact CG2-CG2 4.17Å; I163-L185 HydrophobicContact CG1-CD1 4.13Å |
| 164 | L | 85.2 | Confident | 83.9 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.8 | -173.1 | -73.9 | 173.3 | 0 | 0 | 0 | 114.5 | M98 L160 L166 | M98-L164 HydrophobicContact CG-CD2 4.03Å; M98-L164 HydrophobicContact SD-CD2 3.97Å; L160-L164 HydrophobicContact CB-CD1 4.24Å; L160-L164 HydrophobicContact CB-CG 4.47Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.24Å; L160-L164 PolarHBondContact O-N 3.49Å; L164-L166 PolarHBondContact O-N 2.91Å |
| 165 | P | 84.3 | Confident | 83.2 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.6 | 178.1 | -19.4 | 34 | 0 | 0 | 0 | 114.9 | A161 I163 | A161-P165 WeakPolarHBondContact O-CD 3.37Å; A161-P165 WeakPolarHBondContact O-CG 3.46Å; I163-P165 VanDerWaalsContact C-N 3.31Å |
| 166 | L | 81.2 | Confident | 82.7 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -73.1 | 133.1 | -173.7 | -69.4 | 171 | 0 | 0 | 0 | 112.1 | I163 L164 F168 L185 A188 L195 | I163-L166 VanDerWaalsContact O-CB 3.3Å; I163-L166 WeakPolarHBondContact O-CB 3.38Å; I163-L166 PolarHBondContact O-N 2.99Å; L164-L166 PolarHBondContact O-N 2.91Å; L166-F168 HydrophobicContact CB-CE1 4.2Å; L166-F168 HydrophobicContact CB-CE2 4.03Å; L166-F168 HydrophobicContact CB-CZ 3.71Å; L166-F168 HydrophobicContact CD1-CE1 4.45Å; L166-F168 HydrophobicContact CD1-CZ 4.12Å; L166-F168 WeakPolarHBondContact O-CD2 3.45Å; L166-F168 WeakPolarHBondContact O-CE2 3.48Å; L166-F168 PolarHBondContact O-N 3.13Å; L166-L185 HydrophobicContact CD1-CD1 3.84Å; L166-L185 HydrophobicContact CD1-CG 4.25Å; L166-A188 HydrophobicContact CB-CB 4.33Å; L166-A188 HydrophobicContact CD1-CB 4.34Å; L166-A188 HydrophobicContact CD2-CB 4.36Å; L166-L195 HydrophobicContact CD1-CD2 3.63Å; L166-L195 HydrophobicContact CD2-CD2 4.14Å; L166-L195 HydrophobicContact CG-CD2 4.16Å |
| 167 | P | 80.1 | Confident | 81.9 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | trans | -77.8 | 115.1 | 171.7 | 31 | -32.5 | 0 | 0 | 0 | 110.4 | A188 C189 T190 | P167-A188 WeakPolarHBondContact O-CA 3.32Å; P167-C189 HydrophobicContact CG-CB 4.42Å; P167-C189 PolarHBondContact O-N 2.86Å; P167-T190 HydrophobicContact CG-CG2 3.61Å | ||
| 168 | F | 80.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 105.7 | 171.7 | -57.5 | -72.1 | 0 | 0 | 0 | 109.9 | V9 F12 Y94 I163 L166 I184 L187 A188 | V9-F168 HydrophobicContact CB-CB 4.31Å; V9-F168 HydrophobicContact CG2-CB 4.48Å; V9-F168 WeakPolarHBondContact CG2-O 3.48Å; V9-F168 PolarHBondContact N-O 3.47Å; F12-F168 HydrophobicContact CZ-CG 4.44Å; Y94-F168 HydrophobicContact CD2-CD2 4.4Å; Y94-F168 AromaticContact CE2-CD2 3.74Å; Y94-F168 HydrophobicContact CE2-CD2 3.74Å; Y94-F168 AromaticContact CE2-CE2 3.83Å; Y94-F168 HydrophobicContact CE2-CE2 3.83Å; I163-F168 HydrophobicContact CG2-CZ 4.01Å; L166-F168 HydrophobicContact CB-CE1 4.2Å; L166-F168 HydrophobicContact CB-CE2 4.03Å; L166-F168 HydrophobicContact CB-CZ 3.71Å; L166-F168 HydrophobicContact CD1-CE1 4.45Å; L166-F168 HydrophobicContact CD1-CZ 4.12Å; L166-F168 WeakPolarHBondContact O-CD2 3.45Å; L166-F168 WeakPolarHBondContact O-CE2 3.48Å; L166-F168 PolarHBondContact O-N 3.13Å; F168-I184 HydrophobicContact CD1-CG2 4.14Å; F168-I184 HydrophobicContact CE1-CG2 3.22Å; F168-I184 WeakPolarHBondContact CE1-O 3.28Å; F168-I184 HydrophobicContact CE2-CG2 4.25Å; F168-I184 HydrophobicContact CZ-CG2 3.28Å; F168-L187 HydrophobicContact CD1-CB 4.39Å; F168-A188 HydrophobicContact CD1-CB 4.35Å; F168-A188 HydrophobicContact CE1-CB 4.14Å |
| 169 | C | 70.8 | Confident | 81 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 31% | 0.311 | 24% | 0.239 | S | C | . | . | trans | -141.1 | 9 | -176.8 | 27.6 | 0 | 0 | 0 | 0 | 112.8 | T6 C189 | T6-C169 HydrophobicContact CG2-CB 3.77Å; C169-C189 WeakPolarHBondContact CA-SG 3.17Å; C169-C189 HydrophobicContact CB-CB 4.39Å; C169-C189 WeakPolarHBondContact CB-SG 3.3Å; C169-C189 PolarHBondContact N-SG 2.83Å; C169-C189 WeakPolarHBondContact SG-CB 3.3Å; C169-C189 CovalentContact SG-SG 2.01Å; C169-C189 PolarHBondContact SG-SG 2.9Å | ||
| 170 | G | 67.6 | Low | 80.8 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -91.8 | -167.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 171 | P | 72.6 | Confident | 80.5 | Confident | 95 Ų | 95 | 38.2 Ų | 38.2 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | trans | -53.8 | 152.2 | 178.4 | 24.5 | -32.7 | 0 | 0 | 0 | 109.9 | L187 | P171-L187 HydrophobicContact CG-CD2 4.18Å; P171-L187 WeakPolarHBondContact O-CD2 3.45Å | ||
| 172 | N | 80.2 | Confident | 80.1 | Confident | 58 Ų | 58 | 35.7 Ų | 35.7 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | trans | -100.5 | 22.4 | -176.9 | 67 | -23.6 | 0 | 0 | 0 | 112.7 | V9 I11 F12 V13 | V9-N172 HydrophobicContact CG1-CB 3.7Å; I11-N172 VanDerWaalsContact O-CB 3.26Å; I11-N172 WeakPolarHBondContact O-CB 3.42Å; I11-N172 PolarHBondContact O-ND2 2.97Å; F12-N172 CarbonylContact C-O 3.5Å; F12-N172 VanDerWaalsContact CA-O 3.29Å; F12-N172 WeakPolarHBondContact CA-O 3.22Å; V13-N172 PolarHBondContact N-O 3.4Å | ||
| 173 | I | 79.9 | Confident | 79.8 | Confident | 88 Ų | 88 | 34.6 Ų | 34.6 | 45% | 0.451 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.8 | -171.1 | -55.5 | 174.9 | 0 | 0 | 0 | 110.3 | V13 L15 L187 | V13-I173 HydrophobicContact CB-CG1 4.47Å; V13-I173 CarbonylContact O-C 3.47Å; V13-I173 WeakPolarHBondContact O-CA 3.19Å; L15-I173 HydrophobicContact CD1-CG2 3.46Å; L15-I173 VanDerWaalsContact CD1-CG2 3.46Å; I173-L187 WeakPolarHBondContact O-CD2 3.36Å |
| 174 | L | 80.5 | Confident | 79.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.5 | 174.6 | -74.1 | 166.6 | 0 | 0 | 0 | 109.7 | F12 V13 L14 L15 N176 Q183 I184 L187 | F12-L174 HydrophobicContact CB-CD1 3.79Å; F12-L174 HydrophobicContact CB-CG 4.47Å; F12-L174 HydrophobicContact CD1-CD1 4.28Å; F12-L174 HydrophobicContact CD1-CG 4.48Å; F12-L174 HydrophobicContact CG-CD1 4.05Å; V13-L174 PolarHBondContact O-N 3.04Å; L14-L174 HydrophobicContact CD2-CB 3.95Å; L14-L174 HydrophobicContact CD2-CD1 3.98Å; L15-L174 PolarHBondContact N-O 3.19Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-Q183 HydrophobicContact CD2-CB 3.48Å; L174-Q183 VanDerWaalsContact CD2-CB 3.48Å; L174-I184 HydrophobicContact CD2-CG1 4.09Å; L174-L187 HydrophobicContact CD2-CD1 3.29Å; L174-L187 HydrophobicContact CG-CD1 3.78Å |
| 175 | D | 79.4 | Confident | 79.4 | Confident | 85 Ų | 85 | 30.5 Ų | 30.5 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -81.8 | 51.8 | 179.4 | -167.7 | 30 | 0 | 0 | 0 | 113 | L15 K269 | L15-D175 WeakPolarHBondContact CD2-OD1 3.41Å; D175-K269 WeakPolarHBondContact O-CE 3.43Å; D175-K269 WeakPolarHBondContact OD1-CE 3.27Å; D175-K269 IonicContact OD1-NZ 2.82Å; D175-K269 PolarHBondContact OD1-NZ 3.41Å; D175-K269 IonicContact OD2-NZ 2.7Å |
| 176 | N | 79.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -156.5 | -176.3 | 174.4 | -149.1 | -10.6 | 0 | 0 | 0 | 111.1 | L14 G16 L174 Y178 Q183 S272 | L14-N176 WeakPolarHBondContact CB-O 3.27Å; G16-N176 PolarHBondContact N-O 2.91Å; L174-N176 PolarHBondContact O-N 2.84Å; N176-Y178 WeakPolarHBondContact ND2-CE1 3.42Å; N176-Q183 VanDerWaalsContact CB-NE2 3.28Å; N176-Q183 PolarHBondContact ND2-NE2 3.23Å; N176-S272 PolarHBondContact ND2-OG 3.01Å |
| 177 | F | 76.6 | Confident | 79 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -101.4 | -1.6 | -179.9 | 63.4 | -89.3 | 0 | 0 | 0 | 114.2 | F17 M81 I273 | F17-F177 HydrophobicContact CD2-CB 4.34Å; F17-F177 AromaticContact CE1-CD1 3.74Å; F17-F177 HydrophobicContact CE1-CD1 3.74Å; F17-F177 HydrophobicContact CE1-CE1 4.03Å; F17-F177 HydrophobicContact CE2-CB 3.7Å; F17-F177 AromaticContact CE2-CD1 3.58Å; F17-F177 HydrophobicContact CE2-CD1 3.58Å; F17-F177 HydrophobicContact CE2-CD2 4.39Å; F17-F177 HydrophobicContact CE2-CE1 4.3Å; F17-F177 AromaticContact CE2-CG 3.63Å; F17-F177 HydrophobicContact CE2-CG 3.63Å; F17-F177 HydrophobicContact CZ-CB 4.13Å; F17-F177 AromaticContact CZ-CD1 3.07Å; F17-F177 HydrophobicContact CZ-CD1 3.07Å; F17-F177 HydrophobicContact CZ-CD2 4.38Å; F17-F177 AromaticContact CZ-CE1 3.44Å; F17-F177 HydrophobicContact CZ-CE1 3.44Å; F17-F177 VanDerWaalsContact CZ-CE1 3.44Å; F17-F177 AromaticContact CZ-CG 3.61Å; F17-F177 HydrophobicContact CZ-CG 3.61Å; F17-F177 HydrophobicContact CZ-CZ 4.22Å; M81-F177 HydrophobicContact CB-CD2 3.97Å; M81-F177 HydrophobicContact CG-CB 4.15Å; M81-F177 HydrophobicContact CG-CD2 3.74Å; M81-F177 HydrophobicContact CG-CE2 4.49Å; M81-F177 HydrophobicContact CG-CG 4.16Å; M81-F177 HydrophobicContact SD-CD2 3.46Å; M81-F177 WeakPolarHBondContact SD-CD2 3.46Å; M81-F177 HydrophobicContact SD-CE2 3.66Å; M81-F177 HydrophobicContact SD-CG 4.02Å; M81-F177 HydrophobicContact SD-CZ 4.38Å; F177-I273 HydrophobicContact CE1-CG1 4.07Å; F177-I273 HydrophobicContact CZ-CG1 4.33Å |
| 178 | Y | 81.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -149.6 | 158.6 | 177.2 | 72.5 | -73.4 | 0 | 0 | 0 | 110.5 | T77 F104 N176 D180 Q183 Y275 T276 | T77-Y178 HydrophobicContact CG2-CD2 4.48Å; F104-Y178 HydrophobicContact CD2-CE2 4.48Å; F104-Y178 HydrophobicContact CE1-CE2 4.22Å; F104-Y178 HydrophobicContact CE2-CD2 4.33Å; F104-Y178 AromaticContact CE2-CE2 3.89Å; F104-Y178 HydrophobicContact CE2-CE2 3.89Å; F104-Y178 AromaticContact CZ-CE2 3.72Å; F104-Y178 HydrophobicContact CZ-CE2 3.72Å; N176-Y178 WeakPolarHBondContact ND2-CE1 3.42Å; Y178-D180 HydrophobicContact CD2-CB 4.18Å; Y178-D180 HydrophobicContact CE2-CB 3.51Å; Y178-D180 PolarHBondContact OH-OD2 3.26Å; Y178-Q183 PolarHBondContact O-NE2 3.48Å; Y178-Q183 VanDerWaalsContact O-NE2 3.09Å; Y178-Y275 PolarHBondContact OH-OH 3.46Å; Y178-T276 HydrophobicContact CE1-CG2 4.42Å |
| 179 | C | 84.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -77.2 | 124.2 | 174.1 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | C97 Q100 I101 I184 | C97-C179 VanDerWaalsContact CA-SG 3.5Å; C97-C179 HydrophobicContact CB-CB 3.97Å; C97-C179 WeakPolarHBondContact CB-SG 3.05Å; C97-C179 WeakPolarHBondContact SG-CB 3.25Å; C97-C179 CovalentContact SG-SG 2.03Å; C97-C179 PolarHBondContact SG-SG 2.83Å; Q100-C179 HydrophobicContact CB-CB 4.46Å; I101-C179 HydrophobicContact CD1-CB 4.42Å; I101-C179 HydrophobicContact CG1-CB 4.21Å; I101-C179 WeakPolarHBondContact CG1-O 3.42Å; C179-I184 HydrophobicContact CB-CD1 4.32Å | ||
| 180 | D | 84.3 | Confident | 79.6 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | trans | -141.3 | 157.8 | 174.2 | -158 | -5.8 | 0 | 0 | 0 | 110 | H105 Y178 Q183 I184 Y258 Y275 | H105-D180 IonicContact CE1-OD1 3.97Å; H105-D180 PolarHBondContact CE1-OD1 3.44Å; Y178-D180 HydrophobicContact CD2-CB 4.18Å; Y178-D180 HydrophobicContact CE2-CB 3.51Å; Y178-D180 PolarHBondContact OH-OD2 3.26Å; D180-Q183 PolarHBondContact O-N 3.47Å; D180-I184 PolarHBondContact O-N 3.13Å; D180-I184 VanDerWaalsContact O-N 3.16Å; D180-Y258 PolarHBondContact OD1-OH 3.33Å; D180-Y258 PolarHBondContact OD2-OH 3.09Å; D180-Y275 PolarHBondContact OD2-OH 3.01Å | ||
| 181 | V | 83 | Confident | 80.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | -171.7 | -164.1 | 0 | 0 | 0 | 0 | 113.7 | I101 I163 Q183 I184 L185 M199 | I101-V181 HydrophobicContact CD1-CG2 4.43Å; I101-V181 HydrophobicContact CG2-CG2 3.92Å; I163-V181 HydrophobicContact CD1-CB 3.91Å; I163-V181 HydrophobicContact CD1-CG1 3.28Å; I163-V181 HydrophobicContact CD1-CG2 3.45Å; I163-V181 VanDerWaalsContact CD1-CG2 3.45Å; I163-V181 HydrophobicContact CG1-CG1 3.57Å; V181-Q183 PolarHBondContact O-N 2.94Å; V181-I184 PolarHBondContact O-N 3.34Å; V181-L185 HydrophobicContact CG1-CD1 3.49Å; V181-L185 VanDerWaalsContact CG1-CD1 3.49Å; V181-L185 PolarHBondContact O-N 2.94Å; V181-M199 HydrophobicContact CB-CE 3.34Å; V181-M199 HydrophobicContact CB-SD 4.22Å; V181-M199 HydrophobicContact CG1-CE 3.04Å; V181-M199 HydrophobicContact CG1-SD 3.25Å; V181-M199 WeakPolarHBondContact CG1-SD 3.31Å; V181-M199 HydrophobicContact CG2-CE 3.91Å |
| 182 | P | 79.3 | Confident | 80.7 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -27.6 | 179.1 | -27.4 | 37 | 0 | 0 | 0 | 113.8 | I257 Y258 F262 | P182-I257 HydrophobicContact CG-CG2 4.32Å; P182-Y258 HydrophobicContact CG-CD1 4.11Å; P182-Y258 HydrophobicContact CG-CE1 3.79Å; P182-F262 HydrophobicContact CB-CB 4.35Å; P182-F262 HydrophobicContact CB-CD1 3.71Å; P182-F262 HydrophobicContact CB-CD2 4.04Å; P182-F262 HydrophobicContact CB-CE1 3.97Å; P182-F262 HydrophobicContact CB-CE2 4.3Å; P182-F262 HydrophobicContact CB-CG 3.77Å; P182-F262 HydrophobicContact CB-CZ 4.27Å; P182-F262 HydrophobicContact CG-CD1 4.15Å; P182-F262 HydrophobicContact CG-CE1 3.89Å; P182-F262 HydrophobicContact CG-CE2 4.46Å; P182-F262 HydrophobicContact CG-CZ 4.07Å |
| 183 | Q | 79.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -85.4 | -40.7 | -179 | -54.2 | 174 | 52.2 | 0 | 0 | 111.8 | L174 N176 Y178 D180 V181 R186 | L174-Q183 HydrophobicContact CD2-CB 3.48Å; L174-Q183 VanDerWaalsContact CD2-CB 3.48Å; N176-Q183 VanDerWaalsContact CB-NE2 3.28Å; N176-Q183 PolarHBondContact ND2-NE2 3.23Å; Y178-Q183 PolarHBondContact O-NE2 3.48Å; Y178-Q183 VanDerWaalsContact O-NE2 3.09Å; D180-Q183 PolarHBondContact O-N 3.47Å; V181-Q183 PolarHBondContact O-N 2.94Å; Q183-R186 PolarHBondContact O-N 3.44Å |
| 184 | I | 81.6 | Confident | 81 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | -179.3 | -67.6 | -174.1 | 0 | 0 | 0 | 111.5 | C97 M98 I101 I163 F168 L174 C179 D180 V181 R186 L187 | C97-I184 WeakPolarHBondContact SG-CD1 3.44Å; M98-I184 HydrophobicContact CE-CD1 3.68Å; M98-I184 HydrophobicContact CE-CG2 4.42Å; I101-I184 HydrophobicContact CD1-CD1 3.25Å; I101-I184 HydrophobicContact CD1-CG1 4.27Å; I163-I184 HydrophobicContact CG2-CG2 4.17Å; F168-I184 HydrophobicContact CD1-CG2 4.14Å; F168-I184 HydrophobicContact CE1-CG2 3.22Å; F168-I184 WeakPolarHBondContact CE1-O 3.28Å; F168-I184 HydrophobicContact CE2-CG2 4.25Å; F168-I184 HydrophobicContact CZ-CG2 3.28Å; L174-I184 HydrophobicContact CD2-CG1 4.09Å; C179-I184 HydrophobicContact CB-CD1 4.32Å; D180-I184 PolarHBondContact O-N 3.13Å; D180-I184 VanDerWaalsContact O-N 3.16Å; V181-I184 PolarHBondContact O-N 3.34Å; I184-R186 PolarHBondContact O-N 3.46Å; I184-L187 WeakPolarHBondContact O-CB 3.47Å; I184-L187 PolarHBondContact O-N 3.48Å |
| 185 | L | 81.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.7 | -36.8 | 178.4 | -104.8 | 60.2 | 0 | 0 | 0 | 112.2 | I163 L166 V181 L187 A188 T192 L195 E196 M199 F262 | I163-L185 HydrophobicContact CG1-CD1 4.13Å; L166-L185 HydrophobicContact CD1-CD1 3.84Å; L166-L185 HydrophobicContact CD1-CG 4.25Å; V181-L185 HydrophobicContact CG1-CD1 3.49Å; V181-L185 VanDerWaalsContact CG1-CD1 3.49Å; V181-L185 PolarHBondContact O-N 2.94Å; L185-L187 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact O-N 3.14Å; L185-A188 WeakPolarHBondContact O-CB 3.34Å; L185-A188 PolarHBondContact O-N 3.45Å; L185-T192 HydrophobicContact CG-CG2 4.34Å; L185-T192 WeakPolarHBondContact O-CG2 3.34Å; L185-L195 HydrophobicContact CD1-CD2 4.02Å; L185-L195 HydrophobicContact CD2-CB 4.24Å; L185-L195 HydrophobicContact CD2-CD2 4.03Å; L185-L195 HydrophobicContact CD2-CG 4.35Å; L185-L195 HydrophobicContact CG-CD2 4.06Å; L185-E196 HydrophobicContact CD2-CG 3.92Å; L185-M199 HydrophobicContact CD1-SD 4.18Å; L185-M199 HydrophobicContact CD2-SD 3.58Å; L185-M199 VanDerWaalsContact CD2-SD 3.58Å; L185-F262 HydrophobicContact CD2-CD2 4.24Å; L185-F262 HydrophobicContact CD2-CE2 3.94Å |
| 186 | R | 78.3 | Confident | 81.4 | Confident | 91 Ų | 91 | 33.3 Ų | 33.3 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | 178.2 | -63.3 | 177.7 | -174.6 | 165.6 | 7.4 | 114.5 | Q183 I184 F262 T263 | Q183-R186 PolarHBondContact O-N 3.44Å; I184-R186 PolarHBondContact O-N 3.46Å; R186-F262 PolarHBondContact NE-O 3.37Å; R186-F262 PolarHBondContact NH2-O 2.92Å; R186-T263 PolarHBondContact NH2-O 3.31Å |
| 187 | L | 78.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.1 | -176 | -62.2 | 153.9 | 0 | 0 | 0 | 111.8 | F12 F168 P171 I173 L174 I184 L185 | F12-L187 HydrophobicContact CD1-CD1 4.34Å; F12-L187 HydrophobicContact CE1-CD1 4.24Å; F168-L187 HydrophobicContact CD1-CB 4.39Å; P171-L187 HydrophobicContact CG-CD2 4.18Å; P171-L187 WeakPolarHBondContact O-CD2 3.45Å; I173-L187 WeakPolarHBondContact O-CD2 3.36Å; L174-L187 HydrophobicContact CD2-CD1 3.29Å; L174-L187 HydrophobicContact CG-CD1 3.78Å; I184-L187 WeakPolarHBondContact O-CB 3.47Å; I184-L187 PolarHBondContact O-N 3.48Å; L185-L187 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact O-N 3.14Å |
| 188 | A | 83 | Confident | 81.9 | Confident | 17 Ų | 17 | 43 Ų | 43 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 149.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L166 P167 F168 L185 T192 | L166-A188 HydrophobicContact CB-CB 4.33Å; L166-A188 HydrophobicContact CD1-CB 4.34Å; L166-A188 HydrophobicContact CD2-CB 4.36Å; P167-A188 WeakPolarHBondContact O-CA 3.32Å; F168-A188 HydrophobicContact CD1-CB 4.35Å; F168-A188 HydrophobicContact CE1-CB 4.14Å; L185-A188 WeakPolarHBondContact O-CB 3.34Å; L185-A188 PolarHBondContact O-N 3.45Å; A188-T192 HydrophobicContact CB-CG2 3.76Å |
| 189 | C | 80 | Confident | 82 | Confident | 66 Ų | 66 | 43 Ų | 43 | 45% | 0.446 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -86 | -7 | -179.4 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | P167 C169 | P167-C189 HydrophobicContact CG-CB 4.42Å; P167-C189 PolarHBondContact O-N 2.86Å; C169-C189 WeakPolarHBondContact CA-SG 3.17Å; C169-C189 HydrophobicContact CB-CB 4.39Å; C169-C189 WeakPolarHBondContact CB-SG 3.3Å; C169-C189 PolarHBondContact N-SG 2.83Å; C169-C189 WeakPolarHBondContact SG-CB 3.3Å; C169-C189 CovalentContact SG-SG 2.01Å; C169-C189 PolarHBondContact SG-SG 2.9Å |
| 190 | T | 81 | Confident | 81.9 | Confident | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -106.9 | 161.7 | -177.1 | 50.9 | 0 | 0 | 0 | 0 | 110 | P167 T192 | P167-T190 HydrophobicContact CG-CG2 3.61Å; T190-T192 PolarHBondContact O-N 2.94Å; T190-T192 VanDerWaalsContact O-N 3.11Å |
| 191 | D | 80.6 | Confident | 81.8 | Confident | 133 Ų | 133 | 47.5 Ų | 47.5 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | trans | -59.8 | 116.3 | 169.8 | -178.1 | 13.8 | 0 | 0 | 0 | 110.2 | S193 | D191-S193 WeakPolarHBondContact OD1-CB 3.12Å; D191-S193 PolarHBondContact OD1-N 3.29Å; D191-S193 PolarHBondContact OD1-OG 3.39Å; D191-S193 PolarHBondContact OD2-OG 2.71Å | ||
| 192 | T | 82.8 | Confident | 81.7 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -94.5 | -0.1 | 179.6 | 49 | 0 | 0 | 0 | 0 | 113.2 | L185 A188 T190 L194 L195 E196 | L185-T192 HydrophobicContact CG-CG2 4.34Å; L185-T192 WeakPolarHBondContact O-CG2 3.34Å; A188-T192 HydrophobicContact CB-CG2 3.76Å; T190-T192 PolarHBondContact O-N 2.94Å; T190-T192 VanDerWaalsContact O-N 3.11Å; T192-L194 VanDerWaalsContact C-N 3.33Å; T192-L194 PolarHBondContact O-N 3.27Å; T192-L195 CarbonylContact O-C 3.59Å; T192-L195 WeakPolarHBondContact O-CA 3.47Å; T192-L195 WeakPolarHBondContact O-CB 3.46Å; T192-L195 PolarHBondContact O-N 3.21Å; T192-E196 WeakPolarHBondContact O-CG 3.46Å; T192-E196 PolarHBondContact O-N 3.44Å; T192-E196 PolarHBondContact OG1-OE1 2.93Å | ||
| 193 | S | 82.6 | Confident | 81.8 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -51.1 | -46.1 | -173.6 | 61.4 | 0 | 0 | 0 | 0 | 114 | D191 F197 | D191-S193 WeakPolarHBondContact OD1-CB 3.12Å; D191-S193 PolarHBondContact OD1-N 3.29Å; D191-S193 PolarHBondContact OD1-OG 3.39Å; D191-S193 PolarHBondContact OD2-OG 2.71Å; S193-F197 WeakPolarHBondContact O-CB 3.26Å; S193-F197 PolarHBondContact O-N 3.15Å |
| 194 | L | 83.7 | Confident | 81.9 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 62% | 0.618 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 176.1 | 177.7 | 61.8 | 0 | 0 | 0 | 111.9 | T192 F197 L198 | T192-L194 VanDerWaalsContact C-N 3.33Å; T192-L194 PolarHBondContact O-N 3.27Å; L194-F197 PolarHBondContact O-N 3.17Å; L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.42Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CB 3.38Å; L194-L198 VanDerWaalsContact O-CG 3.27Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.46Å |
| 195 | L | 83.7 | Confident | 82.1 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.4 | -41.7 | -178.6 | -148.9 | 76.5 | 0 | 0 | 0 | 111.1 | L162 L166 L185 T192 F197 L198 M199 | L162-L195 HydrophobicContact CB-CD1 4.06Å; L162-L195 HydrophobicContact CB-CD2 4.47Å; L162-L195 HydrophobicContact CB-CG 4.4Å; L162-L195 HydrophobicContact CD2-CD1 3.86Å; L162-L195 HydrophobicContact CG-CD1 4.49Å; L162-L195 VanDerWaalsContact O-CD2 3.31Å; L162-L195 WeakPolarHBondContact O-CD2 3.26Å; L166-L195 HydrophobicContact CD1-CD2 3.63Å; L166-L195 HydrophobicContact CD2-CD2 4.14Å; L166-L195 HydrophobicContact CG-CD2 4.16Å; L185-L195 HydrophobicContact CD1-CD2 4.02Å; L185-L195 HydrophobicContact CD2-CB 4.24Å; L185-L195 HydrophobicContact CD2-CD2 4.03Å; L185-L195 HydrophobicContact CD2-CG 4.35Å; L185-L195 HydrophobicContact CG-CD2 4.06Å; T192-L195 CarbonylContact O-C 3.59Å; T192-L195 WeakPolarHBondContact O-CA 3.47Å; T192-L195 WeakPolarHBondContact O-CB 3.46Å; T192-L195 PolarHBondContact O-N 3.21Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 3.26Å; L195-L198 PolarHBondContact O-N 2.9Å; L195-M199 VanDerWaalsContact O-CB 3.32Å; L195-M199 WeakPolarHBondContact O-CB 3.33Å; L195-M199 VanDerWaalsContact O-CG 3.22Å; L195-M199 WeakPolarHBondContact O-CG 3.47Å; L195-M199 PolarHBondContact O-N 2.91Å |
| 196 | E | 83.9 | Confident | 82.3 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 171.7 | -69.4 | -175.2 | -159.5 | 0 | 0 | 111.1 | L185 T192 M199 I200 F262 | L185-E196 HydrophobicContact CD2-CG 3.92Å; T192-E196 WeakPolarHBondContact O-CG 3.46Å; T192-E196 PolarHBondContact O-N 3.44Å; T192-E196 PolarHBondContact OG1-OE1 2.93Å; E196-M199 PolarHBondContact O-N 2.92Å; E196-I200 WeakPolarHBondContact O-CB 3.33Å; E196-I200 VanDerWaalsContact O-CG1 3.25Å; E196-I200 WeakPolarHBondContact O-CG1 3.39Å; E196-I200 PolarHBondContact O-N 2.86Å; E196-F262 HydrophobicContact CB-CD2 4.3Å; E196-F262 HydrophobicContact CB-CE2 4.35Å; E196-F262 HydrophobicContact CG-CD2 3.69Å; E196-F262 HydrophobicContact CG-CE2 4.08Å |
| 197 | F | 83.8 | Confident | 82.7 | Confident | 139 Ų | 139 | 53 Ų | 53 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 176 | 177.6 | -97.5 | 0 | 0 | 0 | 112.3 | S193 L194 L195 M199 I200 S201 | S193-F197 WeakPolarHBondContact O-CB 3.26Å; S193-F197 PolarHBondContact O-N 3.15Å; L194-F197 PolarHBondContact O-N 3.17Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 3.26Å; F197-M199 PolarHBondContact O-N 2.84Å; F197-I200 PolarHBondContact O-N 2.97Å; F197-S201 VanDerWaalsContact O-CB 3.26Å; F197-S201 WeakPolarHBondContact O-CB 3.34Å; F197-S201 PolarHBondContact O-N 3.28Å |
| 198 | L | 84.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 55 Ų | 55 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 176.9 | -74.6 | 172.1 | 0 | 0 | 0 | 111.5 | L194 L195 N202 | L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.42Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CB 3.38Å; L194-L198 VanDerWaalsContact O-CG 3.27Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 2.9Å; L198-N202 WeakPolarHBondContact O-CB 3.32Å; L198-N202 PolarHBondContact O-N 3.44Å |
| 199 | M | 81.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.9 | -41.1 | 179.7 | -76 | -165.9 | 68.7 | 0 | 0 | 113.7 | L162 V181 L185 L195 E196 F197 S201 N202 S203 F262 | L162-M199 HydrophobicContact CD1-CG 4.26Å; V181-M199 HydrophobicContact CB-CE 3.34Å; V181-M199 HydrophobicContact CB-SD 4.22Å; V181-M199 HydrophobicContact CG1-CE 3.04Å; V181-M199 HydrophobicContact CG1-SD 3.25Å; V181-M199 WeakPolarHBondContact CG1-SD 3.31Å; V181-M199 HydrophobicContact CG2-CE 3.91Å; L185-M199 HydrophobicContact CD1-SD 4.18Å; L185-M199 HydrophobicContact CD2-SD 3.58Å; L185-M199 VanDerWaalsContact CD2-SD 3.58Å; L195-M199 VanDerWaalsContact O-CB 3.32Å; L195-M199 WeakPolarHBondContact O-CB 3.33Å; L195-M199 VanDerWaalsContact O-CG 3.22Å; L195-M199 WeakPolarHBondContact O-CG 3.47Å; L195-M199 PolarHBondContact O-N 2.91Å; E196-M199 PolarHBondContact O-N 2.92Å; F197-M199 PolarHBondContact O-N 2.84Å; M199-S201 VanDerWaalsContact C-N 3.26Å; M199-S201 PolarHBondContact O-N 3.37Å; M199-N202 PolarHBondContact O-N 2.87Å; M199-S203 WeakPolarHBondContact O-CA 3.49Å; M199-S203 VanDerWaalsContact O-CB 3.28Å; M199-S203 WeakPolarHBondContact O-CB 3.38Å; M199-S203 PolarHBondContact O-N 3.49Å; M199-F262 HydrophobicContact CB-CE2 4.28Å; M199-F262 HydrophobicContact CB-CZ 4.08Å; M199-F262 HydrophobicContact SD-CE2 4.37Å |
| 200 | I | 83.8 | Confident | 83.9 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -62.8 | -39 | 172.9 | -68.5 | 165.1 | 0 | 0 | 0 | 109.7 | E196 F197 G204 L205 F262 | E196-I200 WeakPolarHBondContact O-CB 3.33Å; E196-I200 VanDerWaalsContact O-CG1 3.25Å; E196-I200 WeakPolarHBondContact O-CG1 3.39Å; E196-I200 PolarHBondContact O-N 2.86Å; F197-I200 PolarHBondContact O-N 2.97Å; I200-G204 CarbonylContact O-C 3.54Å; I200-G204 WeakPolarHBondContact O-CA 3.42Å; I200-G204 PolarHBondContact O-N 3.28Å; I200-L205 PolarHBondContact O-N 3.29Å; I200-F262 HydrophobicContact CG1-CE1 4Å; I200-F262 HydrophobicContact CG1-CZ 4.13Å |
| 201 | S | 81.7 | Confident | 84.4 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -69 | -45.1 | 175.3 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | F197 M199 L205 | F197-S201 VanDerWaalsContact O-CB 3.26Å; F197-S201 WeakPolarHBondContact O-CB 3.34Å; F197-S201 PolarHBondContact O-N 3.28Å; M199-S201 VanDerWaalsContact C-N 3.26Å; M199-S201 PolarHBondContact O-N 3.37Å; S201-L205 VanDerWaalsContact O-CB 3.31Å; S201-L205 WeakPolarHBondContact O-CB 3.43Å |
| 202 | N | 81.1 | Confident | 84.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -79.2 | -35.6 | -175.8 | -173 | 57.5 | 0 | 0 | 0 | 113.6 | Q159 L198 M199 L206 | Q159-N202 PolarHBondContact NE2-ND2 2.7Å; L198-N202 WeakPolarHBondContact O-CB 3.32Å; L198-N202 PolarHBondContact O-N 3.44Å; M199-N202 PolarHBondContact O-N 2.87Å; N202-L206 WeakPolarHBondContact O-CB 3.48Å |
| 203 | S | 80.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -101 | -52.6 | -179.1 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Q159 M199 V207 | Q159-S203 PolarHBondContact NE2-OG 3.36Å; M199-S203 WeakPolarHBondContact O-CA 3.49Å; M199-S203 VanDerWaalsContact O-CB 3.28Å; M199-S203 WeakPolarHBondContact O-CB 3.38Å; M199-S203 PolarHBondContact O-N 3.49Å; S203-V207 VanDerWaalsContact O-CB 3.3Å; S203-V207 WeakPolarHBondContact O-CB 3.42Å; S203-V207 WeakPolarHBondContact O-CG2 3.07Å; S203-V207 PolarHBondContact O-N 3.46Å |
| 204 | G | 83 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -62.6 | -56.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I200 L206 V207 I208 Y258 | I200-G204 CarbonylContact O-C 3.54Å; I200-G204 WeakPolarHBondContact O-CA 3.42Å; I200-G204 PolarHBondContact O-N 3.28Å; G204-L206 PolarHBondContact O-N 2.91Å; G204-V207 PolarHBondContact O-N 2.83Å; G204-I208 WeakPolarHBondContact O-CG1 3.35Å; G204-I208 PolarHBondContact O-N 2.7Å; G204-I208 VanDerWaalsContact O-N 3.11Å; G204-Y258 WeakPolarHBondContact CA-O 3.29Å |
| 205 | L | 85.1 | Confident | 85.9 | Confident | 90 Ų | 90 | 52 Ų | 52 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -63.9 | -41.1 | 180 | -179.6 | 65.1 | 0 | 0 | 0 | 111.8 | I200 S201 V207 I208 I209 | I200-L205 PolarHBondContact O-N 3.29Å; S201-L205 VanDerWaalsContact O-CB 3.31Å; S201-L205 WeakPolarHBondContact O-CB 3.43Å; L205-V207 PolarHBondContact O-N 3.31Å; L205-I208 PolarHBondContact O-N 2.83Å; L205-I209 HydrophobicContact CD1-CD1 4.23Å; L205-I209 HydrophobicContact CD1-CG1 4.39Å; L205-I209 HydrophobicContact CD2-CD1 4.41Å; L205-I209 HydrophobicContact CG-CD1 3.84Å; L205-I209 HydrophobicContact CG-CG1 4.41Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.32Å; L205-I209 PolarHBondContact O-N 2.69Å |
| 206 | L | 85.4 | Confident | 86.2 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.7 | -173 | 139 | 0 | 0 | 0 | 111.6 | N202 G204 I208 I209 W210 | N202-L206 WeakPolarHBondContact O-CB 3.48Å; G204-L206 PolarHBondContact O-N 2.91Å; L206-I208 VanDerWaalsContact C-N 3.34Å; L206-I208 PolarHBondContact O-N 3.49Å; L206-I209 PolarHBondContact O-N 3.38Å; L206-W210 VanDerWaalsContact CD2-CD1 3.41Å; L206-W210 WeakPolarHBondContact O-CB 3.05Å; L206-W210 PolarHBondContact O-N 3.02Å |
| 207 | V | 86.6 | Confident | 86.4 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -41 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111 | S203 G204 L205 W210 F211 F251 C254 I255 | S203-V207 VanDerWaalsContact O-CB 3.3Å; S203-V207 WeakPolarHBondContact O-CB 3.42Å; S203-V207 WeakPolarHBondContact O-CG2 3.07Å; S203-V207 PolarHBondContact O-N 3.46Å; G204-V207 PolarHBondContact O-N 2.83Å; L205-V207 PolarHBondContact O-N 3.31Å; V207-W210 PolarHBondContact O-N 3.46Å; V207-F211 WeakPolarHBondContact O-CB 3.25Å; V207-F211 PolarHBondContact O-N 3.29Å; V207-F251 HydrophobicContact CG1-CD1 3.6Å; V207-F251 HydrophobicContact CG1-CE1 4.2Å; V207-F251 WeakPolarHBondContact O-CD1 3.15Å; V207-C254 HydrophobicContact CG1-CB 3.92Å; V207-I255 HydrophobicContact CG1-CG1 3.66Å |
| 208 | I | 88 | Confident | 86.6 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.4 | -66.6 | 167.6 | 0 | 0 | 0 | 110.9 | G204 L205 L206 W210 F211 L212 I255 A259 | G204-I208 WeakPolarHBondContact O-CG1 3.35Å; G204-I208 PolarHBondContact O-N 2.7Å; G204-I208 VanDerWaalsContact O-N 3.11Å; L205-I208 PolarHBondContact O-N 2.83Å; L206-I208 VanDerWaalsContact C-N 3.34Å; L206-I208 PolarHBondContact O-N 3.49Å; I208-W210 PolarHBondContact O-N 3.15Å; I208-F211 PolarHBondContact O-N 3.09Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 2.78Å; I208-I255 HydrophobicContact CD1-CG2 4.26Å; I208-I255 HydrophobicContact CG1-CD1 4.06Å; I208-I255 HydrophobicContact CG1-CG1 3.85Å; I208-I255 HydrophobicContact CG1-CG2 3.95Å; I208-A259 HydrophobicContact CD1-CB 3.95Å |
| 209 | I | 88.9 | Confident | 86.7 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 179 | -69.8 | 167.9 | 0 | 0 | 0 | 110 | L205 L206 F211 L212 L213 | L205-I209 HydrophobicContact CD1-CD1 4.23Å; L205-I209 HydrophobicContact CD1-CG1 4.39Å; L205-I209 HydrophobicContact CD2-CD1 4.41Å; L205-I209 HydrophobicContact CG-CD1 3.84Å; L205-I209 HydrophobicContact CG-CG1 4.41Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.32Å; L205-I209 PolarHBondContact O-N 2.69Å; L206-I209 PolarHBondContact O-N 3.38Å; I209-F211 PolarHBondContact O-N 3.45Å; I209-L212 PolarHBondContact O-N 3.3Å; I209-L213 HydrophobicContact CG2-CD1 3.82Å; I209-L213 HydrophobicContact CG2-CG 4.3Å; I209-L213 WeakPolarHBondContact O-CB 3.22Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.39Å; I209-L213 PolarHBondContact O-N 2.94Å |
| 210 | W | 90.5 | Very high | 86.9 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 178.1 | -86 | 108 | 0 | 0 | 0 | 112.8 | V112 F113 S116 L206 V207 I208 L212 L213 L214 F251 | V112-W210 HydrophobicContact CG1-CB 4.47Å; V112-W210 HydrophobicContact CG1-CD2 4.32Å; V112-W210 HydrophobicContact CG1-CG 4.17Å; F113-W210 HydrophobicContact CD1-CH2 4.45Å; F113-W210 HydrophobicContact CD1-CZ2 4.02Å; F113-W210 AromaticContact CE1-CZ2 3.82Å; F113-W210 HydrophobicContact CE1-CZ2 3.82Å; S116-W210 WeakPolarHBondContact OG-CZ3 3.37Å; L206-W210 VanDerWaalsContact CD2-CD1 3.41Å; L206-W210 WeakPolarHBondContact O-CB 3.05Å; L206-W210 PolarHBondContact O-N 3.02Å; V207-W210 PolarHBondContact O-N 3.46Å; I208-W210 PolarHBondContact O-N 3.15Å; W210-L212 PolarHBondContact O-N 3.41Å; W210-L213 PolarHBondContact O-N 2.95Å; W210-L214 WeakPolarHBondContact O-CB 3.38Å; W210-L214 VanDerWaalsContact O-CG 3.32Å; W210-L214 WeakPolarHBondContact O-CG 2.95Å; W210-L214 PolarHBondContact O-N 2.86Å; W210-F251 HydrophobicContact CB-CE1 3.64Å; W210-F251 HydrophobicContact CB-CZ 4.11Å |
| 211 | F | 91.1 | Very high | 87 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 176.3 | 179.2 | -120.1 | 0 | 0 | 0 | 111.5 | V207 I208 I209 L214 L215 V247 F251 I252 I255 | V207-F211 WeakPolarHBondContact O-CB 3.25Å; V207-F211 PolarHBondContact O-N 3.29Å; I208-F211 PolarHBondContact O-N 3.09Å; I209-F211 PolarHBondContact O-N 3.45Å; F211-L214 PolarHBondContact O-N 2.99Å; F211-L215 WeakPolarHBondContact O-CB 3.49Å; F211-L215 PolarHBondContact O-N 2.98Å; F211-V247 HydrophobicContact CD2-CG1 3.83Å; F211-V247 HydrophobicContact CE2-CG1 4.06Å; F211-F251 HydrophobicContact CB-CB 3.94Å; F211-F251 HydrophobicContact CB-CD1 3.62Å; F211-F251 HydrophobicContact CB-CE1 4.35Å; F211-F251 HydrophobicContact CB-CG 3.95Å; F211-F251 HydrophobicContact CD2-CB 3.38Å; F211-F251 HydrophobicContact CD2-CD1 4.4Å; F211-F251 HydrophobicContact CD2-CD2 4.43Å; F211-F251 AromaticContact CD2-CG 3.85Å; F211-F251 HydrophobicContact CD2-CG 3.85Å; F211-F251 HydrophobicContact CE2-CB 4.12Å; F211-F251 HydrophobicContact CG-CB 3.85Å; F211-F251 HydrophobicContact CG-CD1 4.44Å; F211-F251 HydrophobicContact CG-CG 4.29Å; F211-I252 HydrophobicContact CZ-CG1 4.36Å; F211-I255 HydrophobicContact CB-CD1 4.15Å; F211-I255 HydrophobicContact CD1-CD1 3.98Å; F211-I255 HydrophobicContact CG-CD1 4.16Å |
| 212 | L | 91.1 | Very high | 87.1 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 45% | 0.445 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.9 | -67.5 | 175.5 | 0 | 0 | 0 | 111.6 | I208 I209 W210 L214 L215 I216 | I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 2.78Å; I209-L212 PolarHBondContact O-N 3.3Å; W210-L212 PolarHBondContact O-N 3.41Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 2.93Å; L212-L215 PolarHBondContact O-N 3.48Å; L212-I216 WeakPolarHBondContact O-CB 3.35Å; L212-I216 WeakPolarHBondContact O-CD1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3Å |
| 213 | L | 90.5 | Very high | 87.4 | Confident | 94 Ų | 94 | 50 Ų | 50 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 177.2 | -73.4 | 174.2 | 0 | 0 | 0 | 111.8 | I209 W210 S217 | I209-L213 HydrophobicContact CG2-CD1 3.82Å; I209-L213 HydrophobicContact CG2-CG 4.3Å; I209-L213 WeakPolarHBondContact O-CB 3.22Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.39Å; I209-L213 PolarHBondContact O-N 2.94Å; W210-L213 PolarHBondContact O-N 2.95Å; L213-S217 VanDerWaalsContact O-CB 3.25Å; L213-S217 WeakPolarHBondContact O-CB 3.19Å; L213-S217 PolarHBondContact O-N 3.06Å |
| 214 | L | 89.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 177 | -71.8 | 174.3 | 0 | 0 | 0 | 111.5 | L115 A119 W210 F211 L212 I216 S217 Y218 V247 F251 | L115-L214 HydrophobicContact CB-CD1 4.41Å; A119-L214 HydrophobicContact CB-CD2 3.82Å; W210-L214 WeakPolarHBondContact O-CB 3.38Å; W210-L214 VanDerWaalsContact O-CG 3.32Å; W210-L214 WeakPolarHBondContact O-CG 2.95Å; W210-L214 PolarHBondContact O-N 2.86Å; F211-L214 PolarHBondContact O-N 2.99Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 2.93Å; L214-I216 PolarHBondContact O-N 3.22Å; L214-S217 PolarHBondContact O-N 2.03Å; L214-Y218 HydrophobicContact CD2-CE2 4.4Å; L214-Y218 WeakPolarHBondContact O-CD2 3.33Å; L214-Y218 PolarHBondContact O-N 3.42Å; L214-V247 HydrophobicContact CB-CG1 4.02Å; L214-V247 HydrophobicContact CD1-CG1 3.96Å; L214-V247 HydrophobicContact CD1-CG2 4.07Å; L214-F251 HydrophobicContact CD1-CE2 3.68Å; L214-F251 HydrophobicContact CD1-CZ 3.7Å |
| 215 | L | 89.9 | Confident | 87.4 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -179.9 | -169.6 | 69.9 | 0 | 0 | 0 | 111.5 | F211 L212 T219 I244 | F211-L215 WeakPolarHBondContact O-CB 3.49Å; F211-L215 PolarHBondContact O-N 2.98Å; L212-L215 PolarHBondContact O-N 3.48Å; L215-T219 VanDerWaalsContact O-CB 3.3Å; L215-T219 WeakPolarHBondContact O-CB 2.95Å; L215-T219 PolarHBondContact O-N 3.39Å; L215-T219 PolarHBondContact O-OG1 3.27Å; L215-I244 HydrophobicContact CD1-CG2 4.14Å |
| 216 | I | 89.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.9 | -68.4 | 165.7 | 0 | 0 | 0 | 109.8 | L212 L214 Y218 T219 V220 | L212-I216 WeakPolarHBondContact O-CB 3.35Å; L212-I216 WeakPolarHBondContact O-CD1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3Å; L214-I216 PolarHBondContact O-N 3.22Å; I216-Y218 PolarHBondContact O-N 3.25Å; I216-T219 PolarHBondContact O-N 2.99Å; I216-T219 VanDerWaalsContact O-N 3.15Å; I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 WeakPolarHBondContact O-CG2 3.32Å; I216-V220 PolarHBondContact O-N 3.21Å |
| 217 | S | 89.3 | Confident | 86.5 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -50.8 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | L213 L214 T219 V220 I221 | L213-S217 VanDerWaalsContact O-CB 3.25Å; L213-S217 WeakPolarHBondContact O-CB 3.19Å; L213-S217 PolarHBondContact O-N 3.06Å; L214-S217 PolarHBondContact O-N 2.03Å; S217-T219 VanDerWaalsContact C-N 3.32Å; S217-T219 PolarHBondContact O-N 2.9Å; S217-V220 PolarHBondContact O-N 3.46Å; S217-I221 VanDerWaalsContact O-CG1 3.23Å; S217-I221 WeakPolarHBondContact O-CG1 3.37Å; S217-I221 PolarHBondContact O-N 3.49Å |
| 218 | Y | 86.8 | Confident | 86 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -32 | 177.6 | -75.2 | -68.4 | 0 | 0 | 0 | 113.1 | A119 L214 I216 I221 L222 C240 H243 I244 V247 | A119-Y218 WeakPolarHBondContact CA-OH 3.45Å; A119-Y218 HydrophobicContact CB-CE1 4.44Å; A119-Y218 HydrophobicContact CB-CE2 3.81Å; A119-Y218 PolarHBondContact N-OH 3.36Å; L214-Y218 HydrophobicContact CD2-CE2 4.4Å; L214-Y218 WeakPolarHBondContact O-CD2 3.33Å; L214-Y218 PolarHBondContact O-N 3.42Å; I216-Y218 PolarHBondContact O-N 3.25Å; Y218-I221 HydrophobicContact CD1-CD1 4.22Å; Y218-I221 PolarHBondContact O-N 3.04Å; Y218-L222 WeakPolarHBondContact O-CB 3.35Å; Y218-L222 VanDerWaalsContact O-CG 3.3Å; Y218-L222 WeakPolarHBondContact O-CG 3.18Å; Y218-L222 PolarHBondContact O-N 3.49Å; Y218-C240 HydrophobicContact CD1-CB 4.25Å; Y218-H243 HydrophobicContact CD1-CB 4.26Å; Y218-H243 HydrophobicContact CE1-CB 3.63Å; Y218-H243 AromaticContact CE1-CG 3.97Å; Y218-H243 HydrophobicContact CE2-CB 4.03Å; Y218-H243 AromaticContact CZ-CG 3.81Å; Y218-H243 AromaticContact CZ-ND1 3.99Å; Y218-H243 PolarHBondContact OH-ND1 3.36Å; Y218-I244 HydrophobicContact CD2-CG1 4.48Å; Y218-I244 HydrophobicContact CG-CG1 4.16Å; Y218-V247 HydrophobicContact CE2-CG2 4.4Å |
| 219 | T | 86 | Confident | 85.3 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L215 I216 S217 I221 L222 V223 | L215-T219 VanDerWaalsContact O-CB 3.3Å; L215-T219 WeakPolarHBondContact O-CB 2.95Å; L215-T219 PolarHBondContact O-N 3.39Å; L215-T219 PolarHBondContact O-OG1 3.27Å; I216-T219 PolarHBondContact O-N 2.99Å; I216-T219 VanDerWaalsContact O-N 3.15Å; S217-T219 VanDerWaalsContact C-N 3.32Å; S217-T219 PolarHBondContact O-N 2.9Å; T219-I221 VanDerWaalsContact C-N 3.32Å; T219-I221 PolarHBondContact O-N 2.97Å; T219-L222 PolarHBondContact O-N 3.06Å; T219-V223 WeakPolarHBondContact O-CG2 3.3Å; T219-V223 PolarHBondContact O-N 3.4Å |
| 220 | V | 87.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | I216 S217 L222 V223 M224 | I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 WeakPolarHBondContact O-CG2 3.32Å; I216-V220 PolarHBondContact O-N 3.21Å; S217-V220 PolarHBondContact O-N 3.46Å; V220-L222 PolarHBondContact O-N 2.89Å; V220-V223 PolarHBondContact O-N 3.48Å; V220-M224 HydrophobicContact CG1-CE 4.23Å; V220-M224 HydrophobicContact CG1-CG 4.48Å; V220-M224 HydrophobicContact CG1-SD 4.49Å; V220-M224 WeakPolarHBondContact O-CG 3.22Å; V220-M224 PolarHBondContact O-N 3.3Å |
| 221 | I | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 175 | -68.4 | 166.4 | 0 | 0 | 0 | 111.4 | R122 Y123 I126 S217 Y218 T219 V223 M224 L225 C240 | R122-I221 HydrophobicContact CB-CD1 4.24Å; Y123-I221 HydrophobicContact CD2-CG1 4.32Å; I126-I221 HydrophobicContact CD1-CG2 3.31Å; S217-I221 VanDerWaalsContact O-CG1 3.23Å; S217-I221 WeakPolarHBondContact O-CG1 3.37Å; S217-I221 PolarHBondContact O-N 3.49Å; Y218-I221 HydrophobicContact CD1-CD1 4.22Å; Y218-I221 PolarHBondContact O-N 3.04Å; T219-I221 VanDerWaalsContact C-N 3.32Å; T219-I221 PolarHBondContact O-N 2.97Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.18Å; I221-M224 HydrophobicContact CB-CE 4.44Å; I221-M224 HydrophobicContact CG1-CE 4.03Å; I221-M224 PolarHBondContact O-N 2.87Å; I221-L225 HydrophobicContact CG2-CD1 4.12Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 3.31Å; I221-C240 VanDerWaalsContact CG2-SG 3.56Å |
| 222 | L | 85 | Confident | 82.6 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 177.1 | -76.6 | 173.4 | 0 | 0 | 0 | 112.7 | Y218 T219 V220 L225 A237 C240 I244 | Y218-L222 WeakPolarHBondContact O-CB 3.35Å; Y218-L222 VanDerWaalsContact O-CG 3.3Å; Y218-L222 WeakPolarHBondContact O-CG 3.18Å; Y218-L222 PolarHBondContact O-N 3.49Å; T219-L222 PolarHBondContact O-N 3.06Å; V220-L222 PolarHBondContact O-N 2.89Å; L222-L225 HydrophobicContact CD2-CD1 4.48Å; L222-L225 PolarHBondContact O-N 3.31Å; L222-A237 HydrophobicContact CD2-CB 4.24Å; L222-C240 HydrophobicContact CD2-CB 3.72Å; L222-C240 HydrophobicContact CG-CB 4.01Å; L222-I244 HydrophobicContact CD1-CD1 3.72Å |
| 223 | V | 85.8 | Confident | 82.1 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | T219 V220 I221 L225 R226 | T219-V223 WeakPolarHBondContact O-CG2 3.3Å; T219-V223 PolarHBondContact O-N 3.4Å; V220-V223 PolarHBondContact O-N 3.48Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.18Å; V223-L225 PolarHBondContact O-N 3.41Å; V223-R226 VanDerWaalsContact O-CB 3.25Å; V223-R226 WeakPolarHBondContact O-CB 3.25Å; V223-R226 WeakPolarHBondContact O-CG 3.27Å; V223-R226 PolarHBondContact O-N 2.84Å |
| 224 | M | 83 | Confident | 81.4 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -35.2 | 176 | -69.6 | -169.7 | -63.6 | 0 | 0 | 112.2 | Y123 I126 V220 I221 R226 S227 H228 | Y123-M224 HydrophobicContact CD2-CE 3.82Å; Y123-M224 HydrophobicContact CE2-CE 3.83Å; Y123-M224 HydrophobicContact CE2-SD 4.5Å; I126-M224 HydrophobicContact CG2-CB 4.12Å; I126-M224 HydrophobicContact CG2-CE 4.17Å; V220-M224 HydrophobicContact CG1-CE 4.23Å; V220-M224 HydrophobicContact CG1-CG 4.48Å; V220-M224 HydrophobicContact CG1-SD 4.49Å; V220-M224 WeakPolarHBondContact O-CG 3.22Å; V220-M224 PolarHBondContact O-N 3.3Å; I221-M224 HydrophobicContact CB-CE 4.44Å; I221-M224 HydrophobicContact CG1-CE 4.03Å; I221-M224 PolarHBondContact O-N 2.87Å; M224-R226 PolarHBondContact O-N 3.35Å; M224-S227 PolarHBondContact O-OG 3.02Å; M224-H228 PolarHBondContact O-ND1 3.45Å |
| 225 | L | 81.6 | Confident | 80.7 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -67.8 | -12.2 | 176.5 | -72.9 | 169.4 | 0 | 0 | 0 | 114 | I126 I221 L222 V223 S227 H228 K233 A236 | I126-L225 HydrophobicContact CD1-CD1 4.1Å; I126-L225 HydrophobicContact CD1-CD2 3.93Å; I126-L225 HydrophobicContact CD1-CG 4.09Å; I126-L225 HydrophobicContact CG1-CD2 4.28Å; I126-L225 HydrophobicContact CG2-CD2 4.2Å; I126-L225 HydrophobicContact CG2-CG 4.41Å; I221-L225 HydrophobicContact CG2-CD1 4.12Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 3.31Å; L222-L225 HydrophobicContact CD2-CD1 4.48Å; L222-L225 PolarHBondContact O-N 3.31Å; V223-L225 PolarHBondContact O-N 3.41Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-H228 PolarHBondContact O-N 2.9Å; L225-K233 WeakPolarHBondContact O-CD 3.3Å; L225-K233 WeakPolarHBondContact O-CG 3.1Å; L225-A236 HydrophobicContact CD1-CB 3.49Å; L225-A236 VanDerWaalsContact CD1-CB 3.49Å; L225-A236 HydrophobicContact CD2-CB 3.46Å; L225-A236 VanDerWaalsContact CD2-CB 3.46Å; L225-A236 HydrophobicContact CG-CB 4.12Å |
| 226 | R | 78.3 | Confident | 80 | Confident | 181 Ų | 181 | 75.5 Ų | 75.5 | 68% | 0.683 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62.6 | -32.9 | 178.7 | -71 | -175.7 | 177.1 | 179.7 | 0.2 | 112.5 | V223 M224 H228 K233 | V223-R226 VanDerWaalsContact O-CB 3.25Å; V223-R226 WeakPolarHBondContact O-CB 3.25Å; V223-R226 WeakPolarHBondContact O-CG 3.27Å; V223-R226 PolarHBondContact O-N 2.84Å; M224-R226 PolarHBondContact O-N 3.35Å; R226-H228 VanDerWaalsContact C-N 3.31Å; R226-K233 PolarHBondContact O-NZ 2.8Å |
| 227 | S | 73.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 72 Ų | 72 | 72% | 0.72 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -78.4 | -8.7 | -179.9 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | M224 L225 | M224-S227 PolarHBondContact O-OG 3.02Å; L225-S227 PolarHBondContact O-N 2.97Å |
| 228 | H | 74.6 | Confident | 78.9 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 36% | 0.356 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -91.6 | 155.1 | -175.6 | -74.5 | 62.8 | 0 | 0 | 0 | 113.2 | M224 L225 R226 K233 | M224-H228 PolarHBondContact O-ND1 3.45Å; L225-H228 PolarHBondContact O-N 2.9Å; R226-H228 VanDerWaalsContact C-N 3.31Å; H228-K233 HydrophobicContact CB-CB 4.4Å; H228-K233 WeakPolarHBondContact O-CD 3.34Å |
| 229 | S | 73.8 | Confident | 78.6 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 65% | 0.65 | 40% | 0.4 | S | S | * | . | trans | -71.5 | 155 | -178.3 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | K231 A232 K233 | S229-K231 PolarHBondContact O-N 3.28Å; S229-K231 VanDerWaalsContact O-N 3.16Å; S229-A232 PolarHBondContact O-N 3.47Å; S229-K233 WeakPolarHBondContact O-CB 3.23Å; S229-K233 PolarHBondContact O-N 3.42Å | ||
| 230 | G | 71.5 | Confident | 78.3 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -53.7 | -39.9 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | R234 | G230-R234 VanDerWaalsContact O-CB 3.24Å; G230-R234 WeakPolarHBondContact O-CB 3.34Å; G230-R234 PolarHBondContact O-N 2.92Å |
| 231 | K | 72.9 | Confident | 78 | Confident | 178 Ų | 178 | 70.4 Ų | 70.4 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -75.6 | -44.4 | -176.5 | -162.6 | 176.6 | -178.1 | -179 | 0 | 112.3 | S229 K235 | S229-K231 PolarHBondContact O-N 3.28Å; S229-K231 VanDerWaalsContact O-N 3.16Å; K231-K235 PolarHBondContact O-N 3.4Å |
| 232 | A | 70.3 | Confident | 77.7 | Confident | 54 Ų | 54 | 71 Ų | 71 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S229 K235 A236 | S229-A232 PolarHBondContact O-N 3.47Å; A232-K235 PolarHBondContact O-N 3.48Å; A232-A236 WeakPolarHBondContact O-CB 3.31Å; A232-A236 PolarHBondContact O-N 3.31Å |
| 233 | K | 79 | Confident | 77.6 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 35% | 0.348 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 174.6 | 179.1 | 174.5 | -179.2 | 172.9 | 0 | 112.5 | L225 R226 H228 S229 K235 A236 A237 | L225-K233 WeakPolarHBondContact O-CD 3.3Å; L225-K233 WeakPolarHBondContact O-CG 3.1Å; R226-K233 PolarHBondContact O-NZ 2.8Å; H228-K233 HydrophobicContact CB-CB 4.4Å; H228-K233 WeakPolarHBondContact O-CD 3.34Å; S229-K233 WeakPolarHBondContact O-CB 3.23Å; S229-K233 PolarHBondContact O-N 3.42Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.37Å; K233-A236 PolarHBondContact O-N 3.47Å; K233-A237 WeakPolarHBondContact O-CB 3.28Å; K233-A237 PolarHBondContact O-N 3.46Å |
| 234 | R | 76.8 | Confident | 77.6 | Confident | 186 Ų | 186 | 66.6 Ų | 66.6 | 70% | 0.702 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | -179.8 | -172.8 | 172.1 | 66.7 | -170.7 | 1.4 | 112.2 | G230 S238 | G230-R234 VanDerWaalsContact O-CB 3.24Å; G230-R234 WeakPolarHBondContact O-CB 3.34Å; G230-R234 PolarHBondContact O-N 2.92Å; R234-S238 WeakPolarHBondContact O-CB 3.33Å; R234-S238 PolarHBondContact O-N 2.79Å; R234-S238 VanDerWaalsContact O-N 3.07Å |
| 235 | K | 74.6 | Confident | 77.6 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 177 | -176.4 | 177 | 175.3 | 174.1 | 0 | 111.5 | K231 A232 K233 S238 T239 D293 | K231-K235 PolarHBondContact O-N 3.4Å; A232-K235 PolarHBondContact O-N 3.48Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.37Å; K235-S238 PolarHBondContact O-N 2.91Å; K235-T239 PolarHBondContact O-N 3.31Å; K235-T239 PolarHBondContact O-OG1 3.48Å; K235-D293 WeakPolarHBondContact CE-OD1 3.46Å; K235-D293 VanDerWaalsContact CE-OD2 3.32Å; K235-D293 WeakPolarHBondContact CE-OD2 3.44Å; K235-D293 IonicContact NZ-OD1 2.65Å; K235-D293 PolarHBondContact NZ-OD1 2.83Å; K235-D293 IonicContact NZ-OD2 3.99Å; K235-D293 PolarHBondContact NZ-OD2 2.88Å |
| 236 | A | 75.4 | Confident | 77.7 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -41 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L225 A232 K233 T239 C240 | L225-A236 HydrophobicContact CD1-CB 3.49Å; L225-A236 VanDerWaalsContact CD1-CB 3.49Å; L225-A236 HydrophobicContact CD2-CB 3.46Å; L225-A236 VanDerWaalsContact CD2-CB 3.46Å; L225-A236 HydrophobicContact CG-CB 4.12Å; A232-A236 WeakPolarHBondContact O-CB 3.31Å; A232-A236 PolarHBondContact O-N 3.31Å; K233-A236 PolarHBondContact O-N 3.47Å; A236-T239 PolarHBondContact O-N 3.01Å; A236-C240 PolarHBondContact O-N 3.26Å; A236-C240 PolarHBondContact O-SG 2.83Å |
| 237 | A | 78.6 | Confident | 78.1 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L222 K233 T239 C240 T241 | L222-A237 HydrophobicContact CD2-CB 4.24Å; K233-A237 WeakPolarHBondContact O-CB 3.28Å; K233-A237 PolarHBondContact O-N 3.46Å; A237-T239 PolarHBondContact O-N 3.11Å; A237-C240 PolarHBondContact O-N 2.89Å; A237-T241 WeakPolarHBondContact O-CB 3.22Å; A237-T241 PolarHBondContact O-N 3.22Å; A237-T241 PolarHBondContact O-OG1 3.46Å |
| 238 | S | 77.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | R234 K235 T242 | R234-S238 WeakPolarHBondContact O-CB 3.33Å; R234-S238 PolarHBondContact O-N 2.79Å; R234-S238 VanDerWaalsContact O-N 3.07Å; K235-S238 PolarHBondContact O-N 2.91Å; S238-T242 WeakPolarHBondContact O-CB 3.15Å; S238-T242 PolarHBondContact O-N 3.45Å; S238-T242 VanDerWaalsContact O-N 3.13Å; S238-T242 PolarHBondContact O-OG1 2.93Å |
| 239 | T | 78.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.8 | -45.9 | 178.6 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | M59 K235 A236 A237 T241 T242 H243 | M59-T239 HydrophobicContact CE-CG2 4.23Å; K235-T239 PolarHBondContact O-N 3.31Å; K235-T239 PolarHBondContact O-OG1 3.48Å; A236-T239 PolarHBondContact O-N 3.01Å; A237-T239 PolarHBondContact O-N 3.11Å; T239-T241 PolarHBondContact O-N 3.14Å; T239-T242 VanDerWaalsContact O-CB 3.27Å; T239-T242 WeakPolarHBondContact O-CB 3.47Å; T239-T242 PolarHBondContact O-N 3.02Å; T239-H243 PolarHBondContact O-CD2 3.09Å; T239-H243 VanDerWaalsContact O-CD2 3.24Å; T239-H243 PolarHBondContact O-N 3.31Å |
| 240 | C | 81 | Confident | 79.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | Y218 I221 L222 A236 A237 T242 H243 I244 | Y218-C240 HydrophobicContact CD1-CB 4.25Å; I221-C240 VanDerWaalsContact CG2-SG 3.56Å; L222-C240 HydrophobicContact CD2-CB 3.72Å; L222-C240 HydrophobicContact CG-CB 4.01Å; A236-C240 PolarHBondContact O-N 3.26Å; A236-C240 PolarHBondContact O-SG 2.83Å; A237-C240 PolarHBondContact O-N 2.89Å; C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.31Å; C240-H243 PolarHBondContact O-N 2.95Å; C240-I244 WeakPolarHBondContact O-CG1 3.03Å; C240-I244 PolarHBondContact O-N 3.23Å |
| 241 | T | 80.4 | Confident | 80.3 | Confident | 67 Ų | 67 | 49 Ų | 49 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | A237 T239 H243 I244 I245 | A237-T241 WeakPolarHBondContact O-CB 3.22Å; A237-T241 PolarHBondContact O-N 3.22Å; A237-T241 PolarHBondContact O-OG1 3.46Å; T239-T241 PolarHBondContact O-N 3.14Å; T241-H243 PolarHBondContact O-N 3.43Å; T241-I244 PolarHBondContact O-N 3.45Å; T241-I245 HydrophobicContact CG2-CD1 4.2Å; T241-I245 VanDerWaalsContact O-CG1 3.3Å; T241-I245 WeakPolarHBondContact O-CG1 3.31Å; T241-I245 PolarHBondContact O-N 3.21Å |
| 242 | T | 80.2 | Confident | 81 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | 173.4 | -72.4 | 0 | 0 | 0 | 0 | 111 | S238 T239 C240 I245 V246 I286 R290 | S238-T242 WeakPolarHBondContact O-CB 3.15Å; S238-T242 PolarHBondContact O-N 3.45Å; S238-T242 VanDerWaalsContact O-N 3.13Å; S238-T242 PolarHBondContact O-OG1 2.93Å; T239-T242 VanDerWaalsContact O-CB 3.27Å; T239-T242 WeakPolarHBondContact O-CB 3.47Å; T239-T242 PolarHBondContact O-N 3.02Å; C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.31Å; T242-I245 PolarHBondContact O-N 3.02Å; T242-V246 WeakPolarHBondContact O-CG2 3.31Å; T242-V246 PolarHBondContact O-N 3.49Å; T242-V246 VanDerWaalsContact O-N 3.11Å; T242-I286 HydrophobicContact CG2-CB 4.47Å; T242-I286 HydrophobicContact CG2-CG2 3.05Å; T242-R290 HydrophobicContact CG2-CB 4.47Å; T242-R290 WeakPolarHBondContact OG1-CB 3.44Å |
| 243 | H | 81.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 175.8 | -84.2 | -86.4 | 0 | 0 | 0 | 113.2 | Y218 T239 C240 T241 I245 V246 V247 Y287 | Y218-H243 HydrophobicContact CD1-CB 4.26Å; Y218-H243 HydrophobicContact CE1-CB 3.63Å; Y218-H243 AromaticContact CE1-CG 3.97Å; Y218-H243 HydrophobicContact CE2-CB 4.03Å; Y218-H243 AromaticContact CZ-CG 3.81Å; Y218-H243 AromaticContact CZ-ND1 3.99Å; Y218-H243 PolarHBondContact OH-ND1 3.36Å; T239-H243 PolarHBondContact O-CD2 3.09Å; T239-H243 VanDerWaalsContact O-CD2 3.24Å; T239-H243 PolarHBondContact O-N 3.31Å; C240-H243 PolarHBondContact O-N 2.95Å; T241-H243 PolarHBondContact O-N 3.43Å; H243-I245 VanDerWaalsContact C-N 3.29Å; H243-I245 PolarHBondContact O-N 2.85Å; H243-V246 PolarHBondContact O-N 3.01Å; H243-V247 WeakPolarHBondContact O-CB 3.38Å; H243-V247 VanDerWaalsContact O-CG2 3.26Å; H243-V247 WeakPolarHBondContact O-CG2 3.46Å; H243-V247 PolarHBondContact O-N 3.33Å; H243-Y287 AromaticContact CE1-CE1 3.57Å; H243-Y287 AromaticContact CE1-CZ 3.85Å; H243-Y287 PolarHBondContact CE1-OH 2.74Å; H243-Y287 PolarHBondContact ND1-OH 2.8Å; H243-Y287 AromaticContact NE2-CE1 3.65Å |
| 244 | I | 85.8 | Confident | 82 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.8 | -69.2 | 167.6 | 0 | 0 | 0 | 110.6 | L215 Y218 L222 C240 T241 V247 S248 | L215-I244 HydrophobicContact CD1-CG2 4.14Å; Y218-I244 HydrophobicContact CD2-CG1 4.48Å; Y218-I244 HydrophobicContact CG-CG1 4.16Å; L222-I244 HydrophobicContact CD1-CD1 3.72Å; C240-I244 WeakPolarHBondContact O-CG1 3.03Å; C240-I244 PolarHBondContact O-N 3.23Å; T241-I244 PolarHBondContact O-N 3.45Å; I244-V247 PolarHBondContact O-N 2.87Å; I244-S248 WeakPolarHBondContact O-CB 3.18Å; I244-S248 PolarHBondContact O-N 2.61Å; I244-S248 PolarHBondContact O-OG 3.17Å; I244-S248 VanDerWaalsContact O-OG 3.06Å |
| 245 | I | 84.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 177.1 | -67.9 | 164.8 | 0 | 0 | 0 | 110.5 | T241 T242 H243 S248 M249 I286 | T241-I245 HydrophobicContact CG2-CD1 4.2Å; T241-I245 VanDerWaalsContact O-CG1 3.3Å; T241-I245 WeakPolarHBondContact O-CG1 3.31Å; T241-I245 PolarHBondContact O-N 3.21Å; T242-I245 PolarHBondContact O-N 3.02Å; H243-I245 VanDerWaalsContact C-N 3.29Å; H243-I245 PolarHBondContact O-N 2.85Å; I245-S248 PolarHBondContact O-N 2.83Å; I245-M249 HydrophobicContact CG2-CE 3.85Å; I245-M249 HydrophobicContact CG2-CG 4.46Å; I245-M249 HydrophobicContact CG2-SD 3.98Å; I245-M249 WeakPolarHBondContact O-CB 3.27Å; I245-M249 WeakPolarHBondContact O-CG 3.46Å; I245-M249 PolarHBondContact O-N 3.28Å; I245-I286 HydrophobicContact CG2-CD1 4.22Å |
| 246 | V | 83.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 178.7 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L115 T242 H243 S248 M249 I250 N283 I286 | L115-V246 HydrophobicContact CD2-CG1 4.28Å; T242-V246 WeakPolarHBondContact O-CG2 3.31Å; T242-V246 PolarHBondContact O-N 3.49Å; T242-V246 VanDerWaalsContact O-N 3.11Å; H243-V246 PolarHBondContact O-N 3.01Å; V246-S248 VanDerWaalsContact C-N 3.34Å; V246-S248 PolarHBondContact O-N 2.82Å; V246-M249 PolarHBondContact O-N 3.07Å; V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 WeakPolarHBondContact O-CG1 3.35Å; V246-I250 PolarHBondContact O-N 3.36Å; V246-N283 VanDerWaalsContact CG1-OD1 3.25Å; V246-N283 WeakPolarHBondContact CG1-OD1 3.09Å; V246-I286 HydrophobicContact CG2-CB 4.18Å; V246-I286 HydrophobicContact CG2-CD1 3.6Å; V246-I286 HydrophobicContact CG2-CG1 4.49Å; V246-I286 HydrophobicContact CG2-CG2 3.71Å |
| 247 | V | 86.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 178.1 | 169 | 0 | 0 | 0 | 0 | 110.2 | L115 F211 L214 Y218 H243 I244 M249 I250 F251 | L115-V247 HydrophobicContact CD1-CG2 4.42Å; F211-V247 HydrophobicContact CD2-CG1 3.83Å; F211-V247 HydrophobicContact CE2-CG1 4.06Å; L214-V247 HydrophobicContact CB-CG1 4.02Å; L214-V247 HydrophobicContact CD1-CG1 3.96Å; L214-V247 HydrophobicContact CD1-CG2 4.07Å; Y218-V247 HydrophobicContact CE2-CG2 4.4Å; H243-V247 WeakPolarHBondContact O-CB 3.38Å; H243-V247 VanDerWaalsContact O-CG2 3.26Å; H243-V247 WeakPolarHBondContact O-CG2 3.46Å; H243-V247 PolarHBondContact O-N 3.33Å; I244-V247 PolarHBondContact O-N 2.87Å; V247-M249 PolarHBondContact O-N 3.36Å; V247-I250 PolarHBondContact O-N 3.43Å; V247-F251 HydrophobicContact CG1-CD2 3.77Å; V247-F251 HydrophobicContact CG1-CE2 4.1Å; V247-F251 HydrophobicContact CG1-CG 4.49Å; V247-F251 WeakPolarHBondContact O-CB 3.16Å; V247-F251 VanDerWaalsContact O-CD2 3.22Å; V247-F251 WeakPolarHBondContact O-CD2 3.4Å; V247-F251 PolarHBondContact O-N 3.39Å |
| 248 | S | 87.5 | Confident | 83.4 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.1 | -65.9 | 0 | 0 | 0 | 0 | 113 | I244 I245 V246 I250 I252 | I244-S248 WeakPolarHBondContact O-CB 3.18Å; I244-S248 PolarHBondContact O-N 2.61Å; I244-S248 PolarHBondContact O-OG 3.17Å; I244-S248 VanDerWaalsContact O-OG 3.06Å; I245-S248 PolarHBondContact O-N 2.83Å; V246-S248 VanDerWaalsContact C-N 3.34Å; V246-S248 PolarHBondContact O-N 2.82Å; S248-I250 VanDerWaalsContact C-N 3.28Å; S248-I250 PolarHBondContact O-N 3Å; S248-I252 VanDerWaalsContact O-CB 3.29Å; S248-I252 WeakPolarHBondContact O-CB 3.23Å; S248-I252 VanDerWaalsContact O-CG1 3.26Å; S248-I252 WeakPolarHBondContact O-CG1 3.34Å; S248-I252 PolarHBondContact O-N 3.15Å; S248-I252 VanDerWaalsContact O-N 3.1Å |
| 249 | M | 84.5 | Confident | 83.6 | Confident | 75 Ų | 75 | 31.2 Ų | 31.2 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.5 | -32 | 176.7 | -77 | 179.4 | 171.2 | 0 | 0 | 112.9 | I245 V246 V247 P253 T279 F282 I286 | I245-M249 HydrophobicContact CG2-CE 3.85Å; I245-M249 HydrophobicContact CG2-CG 4.46Å; I245-M249 HydrophobicContact CG2-SD 3.98Å; I245-M249 WeakPolarHBondContact O-CB 3.27Å; I245-M249 WeakPolarHBondContact O-CG 3.46Å; I245-M249 PolarHBondContact O-N 3.28Å; V246-M249 PolarHBondContact O-N 3.07Å; V247-M249 PolarHBondContact O-N 3.36Å; M249-P253 WeakPolarHBondContact O-CD 3.39Å; M249-P253 WeakPolarHBondContact O-CG 3.48Å; M249-T279 PolarHBondContact O-OG1 3.39Å; M249-F282 HydrophobicContact SD-CB 4.45Å; M249-F282 HydrophobicContact SD-CD2 4.35Å; M249-I286 HydrophobicContact SD-CD1 4.29Å |
| 250 | I | 81.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80 | -53.5 | 177.1 | -66.3 | 171.1 | 0 | 0 | 0 | 110.7 | T111 L115 V246 V247 S248 C254 T279 | T111-I250 HydrophobicContact CG2-CD1 4.05Å; L115-I250 HydrophobicContact CD1-CD1 3.56Å; V246-I250 HydrophobicContact CG1-CD1 3.79Å; V246-I250 WeakPolarHBondContact O-CG1 3.35Å; V246-I250 PolarHBondContact O-N 3.36Å; V247-I250 PolarHBondContact O-N 3.43Å; S248-I250 VanDerWaalsContact C-N 3.28Å; S248-I250 PolarHBondContact O-N 3Å; I250-C254 PolarHBondContact O-N 3.03Å; I250-C254 PolarHBondContact O-SG 3.42Å; I250-T279 HydrophobicContact CB-CG2 4.46Å; I250-T279 HydrophobicContact CD1-CG2 3.86Å; I250-T279 HydrophobicContact CG1-CG2 3.19Å |
| 251 | F | 85.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.2 | -35.1 | -165.4 | -79.6 | -99 | 0 | 0 | 0 | 112.9 | V112 L115 V207 W210 F211 L214 V247 C254 I255 | V112-F251 HydrophobicContact CB-CZ 4.35Å; V112-F251 HydrophobicContact CG1-CE1 4.38Å; V112-F251 HydrophobicContact CG1-CZ 3.87Å; V112-F251 HydrophobicContact CG2-CE1 4.35Å; V112-F251 HydrophobicContact CG2-CE2 4.41Å; V112-F251 HydrophobicContact CG2-CZ 3.85Å; L115-F251 HydrophobicContact CD1-CE2 4.25Å; V207-F251 HydrophobicContact CG1-CD1 3.6Å; V207-F251 HydrophobicContact CG1-CE1 4.2Å; V207-F251 WeakPolarHBondContact O-CD1 3.15Å; W210-F251 HydrophobicContact CB-CE1 3.64Å; W210-F251 HydrophobicContact CB-CZ 4.11Å; F211-F251 HydrophobicContact CB-CB 3.94Å; F211-F251 HydrophobicContact CB-CD1 3.62Å; F211-F251 HydrophobicContact CB-CE1 4.35Å; F211-F251 HydrophobicContact CB-CG 3.95Å; F211-F251 HydrophobicContact CD2-CB 3.38Å; F211-F251 HydrophobicContact CD2-CD1 4.4Å; F211-F251 HydrophobicContact CD2-CD2 4.43Å; F211-F251 AromaticContact CD2-CG 3.85Å; F211-F251 HydrophobicContact CD2-CG 3.85Å; F211-F251 HydrophobicContact CE2-CB 4.12Å; F211-F251 HydrophobicContact CG-CB 3.85Å; F211-F251 HydrophobicContact CG-CD1 4.44Å; F211-F251 HydrophobicContact CG-CG 4.29Å; L214-F251 HydrophobicContact CD1-CE2 3.68Å; L214-F251 HydrophobicContact CD1-CZ 3.7Å; V247-F251 HydrophobicContact CG1-CD2 3.77Å; V247-F251 HydrophobicContact CG1-CE2 4.1Å; V247-F251 HydrophobicContact CG1-CG 4.49Å; V247-F251 WeakPolarHBondContact O-CB 3.16Å; V247-F251 VanDerWaalsContact O-CD2 3.22Å; V247-F251 WeakPolarHBondContact O-CD2 3.4Å; V247-F251 PolarHBondContact O-N 3.39Å; F251-C254 PolarHBondContact O-N 3.42Å; F251-I255 WeakPolarHBondContact O-CB 3.47Å; F251-I255 WeakPolarHBondContact O-CG1 3.22Å; F251-I255 PolarHBondContact O-N 3.18Å |
| 252 | I | 88.1 | Confident | 83.4 | Confident | 99 Ų | 99 | 33.4 Ų | 33.4 | 51% | 0.508 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61 | -49.8 | -178.2 | -66.4 | 170.4 | 0 | 0 | 0 | 111.7 | F211 S248 C254 I255 Y256 | F211-I252 HydrophobicContact CZ-CG1 4.36Å; S248-I252 VanDerWaalsContact O-CB 3.29Å; S248-I252 WeakPolarHBondContact O-CB 3.23Å; S248-I252 VanDerWaalsContact O-CG1 3.26Å; S248-I252 WeakPolarHBondContact O-CG1 3.34Å; S248-I252 PolarHBondContact O-N 3.15Å; S248-I252 VanDerWaalsContact O-N 3.1Å; I252-C254 PolarHBondContact O-N 2.69Å; I252-I255 PolarHBondContact O-N 3.09Å; I252-Y256 PolarHBondContact O-N 2.94Å |
| 253 | P | 86.1 | Confident | 83 | Confident | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 174.7 | -24.7 | 36 | 0 | 0 | 0 | 113.5 | M249 Y256 I257 V271 S274 Y275 | M249-P253 WeakPolarHBondContact O-CD 3.39Å; M249-P253 WeakPolarHBondContact O-CG 3.48Å; P253-Y256 WeakPolarHBondContact O-CB 3.44Å; P253-Y256 PolarHBondContact O-N 3.47Å; P253-I257 PolarHBondContact O-N 2.84Å; P253-V271 HydrophobicContact CB-CG1 3.68Å; P253-S274 WeakPolarHBondContact CB-OG 3.39Å; P253-S274 VanDerWaalsContact CG-OG 3.27Å; P253-S274 WeakPolarHBondContact CG-OG 3.3Å; P253-Y275 HydrophobicContact CB-CD1 3.96Å; P253-Y275 HydrophobicContact CB-CG 4.25Å |
| 254 | C | 84.6 | Confident | 82.5 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 177.6 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | V207 I250 F251 I252 Y256 I257 Y258 | V207-C254 HydrophobicContact CG1-CB 3.92Å; I250-C254 PolarHBondContact O-N 3.03Å; I250-C254 PolarHBondContact O-SG 3.42Å; F251-C254 PolarHBondContact O-N 3.42Å; I252-C254 PolarHBondContact O-N 2.69Å; C254-Y256 VanDerWaalsContact C-N 3.3Å; C254-Y256 PolarHBondContact O-N 2.98Å; C254-I257 PolarHBondContact O-N 3.42Å; C254-Y258 HydrophobicContact CB-CD2 4.47Å; C254-Y258 WeakPolarHBondContact O-CB 3.36Å; C254-Y258 VanDerWaalsContact O-CD2 3.3Å; C254-Y258 WeakPolarHBondContact O-CD2 3.5Å; C254-Y258 PolarHBondContact O-N 2.97Å |
| 255 | I | 85.7 | Confident | 81.9 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.205 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.6 | -67.8 | 166.5 | 0 | 0 | 0 | 109.7 | V207 I208 F211 F251 I252 I257 A259 | V207-I255 HydrophobicContact CG1-CG1 3.66Å; I208-I255 HydrophobicContact CD1-CG2 4.26Å; I208-I255 HydrophobicContact CG1-CD1 4.06Å; I208-I255 HydrophobicContact CG1-CG1 3.85Å; I208-I255 HydrophobicContact CG1-CG2 3.95Å; F211-I255 HydrophobicContact CB-CD1 4.15Å; F211-I255 HydrophobicContact CD1-CD1 3.98Å; F211-I255 HydrophobicContact CG-CD1 4.16Å; F251-I255 WeakPolarHBondContact O-CB 3.47Å; F251-I255 WeakPolarHBondContact O-CG1 3.22Å; F251-I255 PolarHBondContact O-N 3.18Å; I252-I255 PolarHBondContact O-N 3.09Å; I255-I257 VanDerWaalsContact C-N 3.32Å; I255-I257 PolarHBondContact O-N 2.6Å; I255-A259 HydrophobicContact CG2-CB 3.98Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 3.36Å |
| 256 | Y | 85.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.2 | -44 | 178 | -178.5 | -87.8 | 0 | 0 | 0 | 112.2 | I252 P253 C254 R260 D268 V271 | I252-Y256 PolarHBondContact O-N 2.94Å; P253-Y256 WeakPolarHBondContact O-CB 3.44Å; P253-Y256 PolarHBondContact O-N 3.47Å; C254-Y256 VanDerWaalsContact C-N 3.3Å; C254-Y256 PolarHBondContact O-N 2.98Å; Y256-R260 WeakPolarHBondContact O-CD 3.36Å; Y256-R260 WeakPolarHBondContact O-CG 3.4Å; Y256-R260 PolarHBondContact OH-NH1 2.97Å; Y256-R260 VanDerWaalsContact OH-NH1 3.12Å; Y256-D268 WeakPolarHBondContact CE1-OD1 3.26Å; Y256-V271 HydrophobicContact CD1-CB 4.1Å; Y256-V271 HydrophobicContact CD1-CG1 3.77Å; Y256-V271 HydrophobicContact CD1-CG2 3.83Å; Y256-V271 HydrophobicContact CE1-CB 4.39Å; Y256-V271 HydrophobicContact CE1-CG2 3.87Å; Y256-V271 HydrophobicContact CG-CG1 4.27Å; Y256-V271 HydrophobicContact CG-CG2 4.42Å |
| 257 | I | 82.2 | Confident | 81 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.5 | -42.5 | -177.5 | -65 | -66.2 | 0 | 0 | 0 | 112.5 | P182 P253 C254 I255 D268 V271 Y275 | P182-I257 HydrophobicContact CG-CG2 4.32Å; P253-I257 PolarHBondContact O-N 2.84Å; C254-I257 PolarHBondContact O-N 3.42Å; I255-I257 VanDerWaalsContact C-N 3.32Å; I255-I257 PolarHBondContact O-N 2.6Å; I257-D268 HydrophobicContact CD1-CB 4.17Å; I257-V271 HydrophobicContact CD1-CB 4.3Å; I257-V271 HydrophobicContact CD1-CG1 4.11Å; I257-V271 HydrophobicContact CG1-CG1 3.9Å; I257-Y275 HydrophobicContact CG1-CE1 4.25Å |
| 258 | Y | 81.1 | Confident | 80.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -99.8 | -14.1 | -168.7 | -66.3 | -72.8 | 0 | 0 | 0 | 115.1 | D180 P182 G204 C254 | D180-Y258 PolarHBondContact OD1-OH 3.33Å; D180-Y258 PolarHBondContact OD2-OH 3.09Å; P182-Y258 HydrophobicContact CG-CD1 4.11Å; P182-Y258 HydrophobicContact CG-CE1 3.79Å; G204-Y258 WeakPolarHBondContact CA-O 3.29Å; C254-Y258 HydrophobicContact CB-CD2 4.47Å; C254-Y258 WeakPolarHBondContact O-CB 3.36Å; C254-Y258 VanDerWaalsContact O-CD2 3.3Å; C254-Y258 WeakPolarHBondContact O-CD2 3.5Å; C254-Y258 PolarHBondContact O-N 2.97Å |
| 259 | A | 80.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -95.8 | 4.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I208 I255 | I208-A259 HydrophobicContact CD1-CB 3.95Å; I255-A259 HydrophobicContact CG2-CB 3.98Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 3.36Å |
| 260 | R | 81.4 | Confident | 79.9 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -111.9 | 155.8 | 178.9 | 65.1 | 179.9 | -62.4 | 167 | 30.7 | 110.8 | Y256 F262 F265 D268 | Y256-R260 WeakPolarHBondContact O-CD 3.36Å; Y256-R260 WeakPolarHBondContact O-CG 3.4Å; Y256-R260 PolarHBondContact OH-NH1 2.97Å; Y256-R260 VanDerWaalsContact OH-NH1 3.12Å; R260-F262 PolarHBondContact O-N 3.19Å; R260-F265 VanDerWaalsContact CZ-CG 3.47Å; R260-F265 VanDerWaalsContact NH1-CB 3.28Å; R260-F265 VanDerWaalsContact NH1-CG 3.29Å; R260-F265 VanDerWaalsContact NH2-CD1 3.27Å; R260-F265 VanDerWaalsContact NH2-CE1 3.28Å; R260-D268 IonicContact NH1-OD1 2.98Å; R260-D268 PolarHBondContact NH1-OD1 3.26Å |
| 261 | P | 75.9 | Confident | 79.8 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | trans | -54.4 | 141.2 | 165.3 | -22.4 | 33.1 | 0 | 0 | 0 | 110.1 | T263 | P261-T263 PolarHBondContact O-N 3.03Å; P261-T263 PolarHBondContact O-OG1 3.16Å | ||
| 262 | F | 78.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74.9 | 63.5 | -178.1 | -57.4 | -22.3 | 0 | 0 | 0 | 110.6 | P182 L185 R186 E196 M199 I200 R260 | P182-F262 HydrophobicContact CB-CB 4.35Å; P182-F262 HydrophobicContact CB-CD1 3.71Å; P182-F262 HydrophobicContact CB-CD2 4.04Å; P182-F262 HydrophobicContact CB-CE1 3.97Å; P182-F262 HydrophobicContact CB-CE2 4.3Å; P182-F262 HydrophobicContact CB-CG 3.77Å; P182-F262 HydrophobicContact CB-CZ 4.27Å; P182-F262 HydrophobicContact CG-CD1 4.15Å; P182-F262 HydrophobicContact CG-CE1 3.89Å; P182-F262 HydrophobicContact CG-CE2 4.46Å; P182-F262 HydrophobicContact CG-CZ 4.07Å; L185-F262 HydrophobicContact CD2-CD2 4.24Å; L185-F262 HydrophobicContact CD2-CE2 3.94Å; R186-F262 PolarHBondContact NE-O 3.37Å; R186-F262 PolarHBondContact NH2-O 2.92Å; E196-F262 HydrophobicContact CB-CD2 4.3Å; E196-F262 HydrophobicContact CB-CE2 4.35Å; E196-F262 HydrophobicContact CG-CD2 3.69Å; E196-F262 HydrophobicContact CG-CE2 4.08Å; M199-F262 HydrophobicContact CB-CE2 4.28Å; M199-F262 HydrophobicContact CB-CZ 4.08Å; M199-F262 HydrophobicContact SD-CE2 4.37Å; I200-F262 HydrophobicContact CG1-CE1 4Å; I200-F262 HydrophobicContact CG1-CZ 4.13Å; R260-F262 PolarHBondContact O-N 3.19Å |
| 263 | T | 73.3 | Confident | 79.1 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | trans | -98.4 | 140 | 170.9 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | R186 P261 F265 | R186-T263 PolarHBondContact NH2-O 3.31Å; P261-T263 PolarHBondContact O-N 3.03Å; P261-T263 PolarHBondContact O-OG1 3.16Å; T263-F265 WeakPolarHBondContact O-CD2 3.43Å; T263-F265 PolarHBondContact O-N 3.18Å; T263-F265 VanDerWaalsContact OG1-CE2 3.29Å; T263-F265 WeakPolarHBondContact OG1-CE2 3.24Å | ||
| 264 | P | 69.9 | Low | 78.7 | Confident | 86 Ų | 86 | 49.5 Ų | 49.5 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | trans | -68.9 | 127.6 | -177.6 | 24.4 | -30.9 | 0 | 0 | 0 | 110.6 | ||||
| 265 | F | 73.4 | Confident | 78.3 | Confident | 94 Ų | 94 | 49.2 Ų | 49.2 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | trans | -125 | 143.7 | 173.7 | -86.1 | -112.7 | 0 | 0 | 0 | 111.6 | R260 T263 M267 D268 | R260-F265 VanDerWaalsContact CZ-CG 3.47Å; R260-F265 VanDerWaalsContact NH1-CB 3.28Å; R260-F265 VanDerWaalsContact NH1-CG 3.29Å; R260-F265 VanDerWaalsContact NH2-CD1 3.27Å; R260-F265 VanDerWaalsContact NH2-CE1 3.28Å; T263-F265 WeakPolarHBondContact O-CD2 3.43Å; T263-F265 PolarHBondContact O-N 3.18Å; T263-F265 VanDerWaalsContact OG1-CE2 3.29Å; T263-F265 WeakPolarHBondContact OG1-CE2 3.24Å; F265-M267 PolarHBondContact O-N 3.06Å; F265-D268 PolarHBondContact N-OD2 3.06Å; F265-D268 WeakPolarHBondContact O-CB 3.27Å; F265-D268 PolarHBondContact O-N 3.21Å | ||
| 266 | P | 72.2 | Confident | 78 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 81% | 0.805 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.7 | -177.3 | -25.6 | 33.6 | 0 | 0 | 0 | 114.2 | ||
| 267 | M | 76.9 | Confident | 77.7 | Confident | 117 Ų | 117 | 43.6 Ų | 43.6 | 58% | 0.576 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.5 | -178.2 | -63.2 | -62.8 | -85.6 | 0 | 0 | 113.6 | F265 K269 A270 V271 | F265-M267 PolarHBondContact O-N 3.06Å; M267-K269 VanDerWaalsContact C-N 3.25Å; M267-K269 PolarHBondContact O-N 3.21Å; M267-A270 PolarHBondContact O-N 3.1Å; M267-V271 HydrophobicContact CB-CG2 4.46Å; M267-V271 WeakPolarHBondContact O-CG2 3.37Å; M267-V271 PolarHBondContact O-N 2.83Å |
| 268 | D | 78.5 | Confident | 77.5 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -37.1 | -173.3 | -68.4 | -17.6 | 0 | 0 | 0 | 111.9 | Y256 I257 R260 F265 S272 | Y256-D268 WeakPolarHBondContact CE1-OD1 3.26Å; I257-D268 HydrophobicContact CD1-CB 4.17Å; R260-D268 IonicContact NH1-OD1 2.98Å; R260-D268 PolarHBondContact NH1-OD1 3.26Å; F265-D268 PolarHBondContact N-OD2 3.06Å; F265-D268 WeakPolarHBondContact O-CB 3.27Å; F265-D268 PolarHBondContact O-N 3.21Å; D268-S272 VanDerWaalsContact O-CB 3.27Å; D268-S272 WeakPolarHBondContact O-CB 3.37Å; D268-S272 PolarHBondContact O-N 3.49Å; D268-S272 PolarHBondContact O-OG 3.42Å |
| 269 | K | 80 | Confident | 77.4 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.5 | -66.4 | -178 | -174.7 | 178.1 | 0 | 112.5 | G16 F17 D175 M267 S272 I273 | G16-K269 PolarHBondContact O-NZ 3.07Å; F17-K269 HydrophobicContact CE1-CB 4.39Å; D175-K269 WeakPolarHBondContact O-CE 3.43Å; D175-K269 WeakPolarHBondContact OD1-CE 3.27Å; D175-K269 IonicContact OD1-NZ 2.82Å; D175-K269 PolarHBondContact OD1-NZ 3.41Å; D175-K269 IonicContact OD2-NZ 2.7Å; M267-K269 VanDerWaalsContact C-N 3.25Å; M267-K269 PolarHBondContact O-N 3.21Å; K269-S272 WeakPolarHBondContact O-CB 3.36Å; K269-S272 PolarHBondContact O-N 3.07Å; K269-I273 WeakPolarHBondContact O-CG1 3.48Å; K269-I273 PolarHBondContact O-N 2.9Å |
| 270 | A | 76.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M267 S272 I273 S274 | M267-A270 PolarHBondContact O-N 3.1Å; A270-S272 VanDerWaalsContact C-N 3.32Å; A270-I273 PolarHBondContact O-N 2.92Å; A270-S274 PolarHBondContact O-N 2.81Å |
| 271 | V | 78.9 | Confident | 77.4 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -41 | 174 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | P253 Y256 I257 M267 I273 S274 Y275 | P253-V271 HydrophobicContact CB-CG1 3.68Å; Y256-V271 HydrophobicContact CD1-CB 4.1Å; Y256-V271 HydrophobicContact CD1-CG1 3.77Å; Y256-V271 HydrophobicContact CD1-CG2 3.83Å; Y256-V271 HydrophobicContact CE1-CB 4.39Å; Y256-V271 HydrophobicContact CE1-CG2 3.87Å; Y256-V271 HydrophobicContact CG-CG1 4.27Å; Y256-V271 HydrophobicContact CG-CG2 4.42Å; I257-V271 HydrophobicContact CD1-CB 4.3Å; I257-V271 HydrophobicContact CD1-CG1 4.11Å; I257-V271 HydrophobicContact CG1-CG1 3.9Å; M267-V271 HydrophobicContact CB-CG2 4.46Å; M267-V271 WeakPolarHBondContact O-CG2 3.37Å; M267-V271 PolarHBondContact O-N 2.83Å; V271-I273 PolarHBondContact O-N 2.92Å; V271-S274 WeakPolarHBondContact O-CB 3.43Å; V271-S274 PolarHBondContact O-N 2.9Å; V271-S274 VanDerWaalsContact O-N 3.07Å; V271-S274 PolarHBondContact O-OG 3.27Å; V271-Y275 WeakPolarHBondContact O-CD1 3.41Å; V271-Y275 PolarHBondContact O-N 2.87Å |
| 272 | S | 80.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 175 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | N176 D268 K269 A270 S274 Y275 T276 | N176-S272 PolarHBondContact ND2-OG 3.01Å; D268-S272 VanDerWaalsContact O-CB 3.27Å; D268-S272 WeakPolarHBondContact O-CB 3.37Å; D268-S272 PolarHBondContact O-N 3.49Å; D268-S272 PolarHBondContact O-OG 3.42Å; K269-S272 WeakPolarHBondContact O-CB 3.36Å; K269-S272 PolarHBondContact O-N 3.07Å; A270-S272 VanDerWaalsContact C-N 3.32Å; S272-S274 PolarHBondContact O-N 2.84Å; S272-Y275 PolarHBondContact O-N 3.34Å; S272-T276 VanDerWaalsContact O-CB 3.32Å; S272-T276 WeakPolarHBondContact O-CB 3.29Å; S272-T276 VanDerWaalsContact O-CG2 3.28Å; S272-T276 WeakPolarHBondContact O-CG2 3.19Å; S272-T276 PolarHBondContact O-N 3.4Å; S272-T276 PolarHBondContact O-OG1 3.28Å |
| 273 | I | 77.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 42 Ų | 42 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.5 | -42.6 | 174.6 | -68.2 | 160.6 | 0 | 0 | 0 | 111.2 | F17 F31 F177 K269 A270 V271 Y275 V277 M278 | F17-I273 HydrophobicContact CD1-CD1 4.07Å; F17-I273 HydrophobicContact CE1-CD1 3.18Å; F17-I273 HydrophobicContact CE1-CG1 3.61Å; F17-I273 HydrophobicContact CZ-CD1 3.61Å; F17-I273 HydrophobicContact CZ-CG1 3.57Å; F31-I273 HydrophobicContact CE1-CG1 4.47Å; F31-I273 HydrophobicContact CE1-CG2 3.85Å; F31-I273 HydrophobicContact CZ-CD1 3.92Å; F31-I273 HydrophobicContact CZ-CG1 4.08Å; F31-I273 HydrophobicContact CZ-CG2 4.06Å; F177-I273 HydrophobicContact CE1-CG1 4.07Å; F177-I273 HydrophobicContact CZ-CG1 4.33Å; K269-I273 WeakPolarHBondContact O-CG1 3.48Å; K269-I273 PolarHBondContact O-N 2.9Å; A270-I273 PolarHBondContact O-N 2.92Å; V271-I273 PolarHBondContact O-N 2.92Å; I273-Y275 PolarHBondContact O-N 3.44Å; I273-V277 HydrophobicContact CG2-CB 4.31Å; I273-V277 WeakPolarHBondContact O-CB 3.47Å; I273-V277 PolarHBondContact O-N 3.45Å; I273-M278 HydrophobicContact CG2-CE 3.97Å; I273-M278 HydrophobicContact CG2-CG 4.1Å; I273-M278 PolarHBondContact O-N 2.91Å; I273-M278 VanDerWaalsContact O-N 3.09Å |
| 274 | S | 77.6 | Confident | 77.9 | Confident | 40 Ų | 40 | 39 Ų | 39 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -58.9 | -45.2 | -174 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | P253 A270 V271 S272 M278 T279 | P253-S274 WeakPolarHBondContact CB-OG 3.39Å; P253-S274 VanDerWaalsContact CG-OG 3.27Å; P253-S274 WeakPolarHBondContact CG-OG 3.3Å; A270-S274 PolarHBondContact O-N 2.81Å; V271-S274 WeakPolarHBondContact O-CB 3.43Å; V271-S274 PolarHBondContact O-N 2.9Å; V271-S274 VanDerWaalsContact O-N 3.07Å; V271-S274 PolarHBondContact O-OG 3.27Å; S272-S274 PolarHBondContact O-N 2.84Å; S274-M278 WeakPolarHBondContact O-CB 3.26Å; S274-M278 PolarHBondContact O-N 2.97Å; S274-T279 PolarHBondContact O-N 2.92Å; S274-T279 PolarHBondContact O-OG1 3.4Å |
| 275 | Y | 75.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 38 Ų | 38 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -91.7 | -28.2 | -178.3 | 80.7 | -89.7 | 0 | 0 | 0 | 114.4 | F104 Y178 D180 P253 I257 V271 S272 I273 | F104-Y275 HydrophobicContact CE1-CE2 4.2Å; F104-Y275 HydrophobicContact CE2-CE2 4.39Å; F104-Y275 AromaticContact CZ-CE2 3.49Å; F104-Y275 HydrophobicContact CZ-CE2 3.49Å; F104-Y275 VanDerWaalsContact CZ-CE2 3.49Å; F104-Y275 AromaticContact CZ-CZ 3.84Å; F104-Y275 WeakPolarHBondContact CZ-OH 3.07Å; Y178-Y275 PolarHBondContact OH-OH 3.46Å; D180-Y275 PolarHBondContact OD2-OH 3.01Å; P253-Y275 HydrophobicContact CB-CD1 3.96Å; P253-Y275 HydrophobicContact CB-CG 4.25Å; I257-Y275 HydrophobicContact CG1-CE1 4.25Å; V271-Y275 WeakPolarHBondContact O-CD1 3.41Å; V271-Y275 PolarHBondContact O-N 2.87Å; S272-Y275 PolarHBondContact O-N 3.34Å; I273-Y275 PolarHBondContact O-N 3.44Å |
| 276 | T | 79.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -84.3 | -26.3 | -177.6 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | F104 Y178 S272 | F104-T276 HydrophobicContact CE2-CG2 3.62Å; F104-T276 HydrophobicContact CZ-CG2 3.73Å; Y178-T276 HydrophobicContact CE1-CG2 4.42Å; S272-T276 VanDerWaalsContact O-CB 3.32Å; S272-T276 WeakPolarHBondContact O-CB 3.29Å; S272-T276 VanDerWaalsContact O-CG2 3.28Å; S272-T276 WeakPolarHBondContact O-CG2 3.19Å; S272-T276 PolarHBondContact O-N 3.4Å; S272-T276 PolarHBondContact O-OG1 3.28Å |
| 277 | V | 78.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -124.4 | -48.5 | -172.5 | 177 | 0 | 0 | 0 | 0 | 111.9 | F31 V34 M81 I273 | F31-V277 HydrophobicContact CD1-CG1 3.85Å; F31-V277 HydrophobicContact CE1-CG1 3.95Å; V34-V277 HydrophobicContact CB-CG1 4.38Å; V34-V277 HydrophobicContact CG1-CG1 3.5Å; M81-V277 HydrophobicContact CE-CG2 4.1Å; I273-V277 HydrophobicContact CG2-CB 4.31Å; I273-V277 WeakPolarHBondContact O-CB 3.47Å; I273-V277 PolarHBondContact O-N 3.45Å |
| 278 | M | 78.9 | Confident | 79 | Confident | 49 Ų | 49 | 24 Ų | 24 | 24% | 0.241 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -74.6 | -38.6 | -174.6 | -62.2 | -66.4 | 165.5 | 0 | 0 | 112.1 | F31 V34 I273 S274 M281 F282 | F31-M278 HydrophobicContact CE1-CE 4.35Å; V34-M278 HydrophobicContact CG2-CE 4.41Å; I273-M278 HydrophobicContact CG2-CE 3.97Å; I273-M278 HydrophobicContact CG2-CG 4.1Å; I273-M278 PolarHBondContact O-N 2.91Å; I273-M278 VanDerWaalsContact O-N 3.09Å; S274-M278 WeakPolarHBondContact O-CB 3.26Å; S274-M278 PolarHBondContact O-N 2.97Å; M278-M281 WeakPolarHBondContact O-CB 3.4Å; M278-M281 PolarHBondContact O-N 3.48Å; M278-F282 HydrophobicContact CB-CD2 4.13Å; M278-F282 HydrophobicContact CB-CE2 3.89Å; M278-F282 WeakPolarHBondContact O-CD2 3.47Å; M278-F282 PolarHBondContact O-N 3.06Å |
| 279 | T | 79.4 | Confident | 78.9 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -50 | -179.3 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | M249 I250 S274 M281 F282 N283 | M249-T279 PolarHBondContact O-OG1 3.39Å; I250-T279 HydrophobicContact CB-CG2 4.46Å; I250-T279 HydrophobicContact CD1-CG2 3.86Å; I250-T279 HydrophobicContact CG1-CG2 3.19Å; S274-T279 PolarHBondContact O-N 2.92Å; S274-T279 PolarHBondContact O-OG1 3.4Å; T279-M281 PolarHBondContact O-N 3.49Å; T279-F282 PolarHBondContact O-N 2.8Å; T279-N283 PolarHBondContact O-N 3.2Å; T279-N283 PolarHBondContact O-OD1 3.33Å |
| 280 | P | 79 | Confident | 78.8 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -29.1 | 175.1 | -24.8 | 35 | 0 | 0 | 0 | 113.4 | T38 Y73 S74 P284 | T38-P280 HydrophobicContact CG2-CB 3.9Å; Y73-P280 HydrophobicContact CD1-CG 3.8Å; Y73-P280 HydrophobicContact CE1-CG 4.1Å; S74-P280 WeakPolarHBondContact OG-CB 3.39Å; P280-P284 WeakPolarHBondContact O-CD 3.32Å |
| 281 | M | 83.1 | Confident | 79 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.3 | -43.4 | 173.9 | -171.2 | -157.2 | 72.1 | 0 | 0 | 112.2 | V34 T38 M278 T279 P284 | V34-M281 HydrophobicContact CB-SD 4.29Å; V34-M281 HydrophobicContact CG1-CB 4.01Å; V34-M281 HydrophobicContact CG1-CG 4.04Å; V34-M281 HydrophobicContact CG1-SD 3.75Å; V34-M281 HydrophobicContact CG2-SD 3.99Å; T38-M281 VanDerWaalsContact OG1-CA 3.31Å; T38-M281 WeakPolarHBondContact OG1-CA 3.34Å; T38-M281 VanDerWaalsContact OG1-CB 3.28Å; T38-M281 WeakPolarHBondContact OG1-CB 3.19Å; M278-M281 WeakPolarHBondContact O-CB 3.4Å; M278-M281 PolarHBondContact O-N 3.48Å; T279-M281 PolarHBondContact O-N 3.49Å; M281-P284 WeakPolarHBondContact O-CD 3.49Å |
| 282 | F | 79.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 36.3 Ų | 36.3 | 33% | 0.333 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.7 | -29.7 | -178.6 | -72.3 | -53.9 | 0 | 0 | 0 | 113.1 | M249 M278 T279 V285 I286 | M249-F282 HydrophobicContact SD-CB 4.45Å; M249-F282 HydrophobicContact SD-CD2 4.35Å; M278-F282 HydrophobicContact CB-CD2 4.13Å; M278-F282 HydrophobicContact CB-CE2 3.89Å; M278-F282 WeakPolarHBondContact O-CD2 3.47Å; M278-F282 PolarHBondContact O-N 3.06Å; T279-F282 PolarHBondContact O-N 2.8Å; F282-V285 PolarHBondContact O-N 2.9Å; F282-V285 VanDerWaalsContact O-N 3.14Å; F282-I286 HydrophobicContact CB-CD1 4.06Å; F282-I286 WeakPolarHBondContact O-CB 3.25Å; F282-I286 VanDerWaalsContact O-CG1 3.22Å; F282-I286 WeakPolarHBondContact O-CG1 3.12Å; F282-I286 PolarHBondContact O-N 3.24Å |
| 283 | N | 80.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.1 | -53.9 | 179 | -79.7 | -1.5 | 0 | 0 | 0 | 112.1 | D70 V246 T279 V285 I286 Y287 | D70-N283 WeakPolarHBondContact OD2-CB 3.45Å; D70-N283 PolarHBondContact OD2-ND2 2.72Å; V246-N283 VanDerWaalsContact CG1-OD1 3.25Å; V246-N283 WeakPolarHBondContact CG1-OD1 3.09Å; T279-N283 PolarHBondContact O-N 3.2Å; T279-N283 PolarHBondContact O-OD1 3.33Å; N283-V285 PolarHBondContact O-N 3.09Å; N283-I286 PolarHBondContact O-N 3.34Å; N283-Y287 HydrophobicContact CB-CD2 4.46Å; N283-Y287 HydrophobicContact CB-CE2 4.47Å; N283-Y287 WeakPolarHBondContact O-CD2 3.37Å; N283-Y287 PolarHBondContact O-N 3.25Å |
| 284 | P | 77.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.4 | -27.8 | 33.5 | 0 | 0 | 0 | 114.5 | N42 I45 P280 M281 I286 Y287 T288 | N42-P284 HydrophobicContact CB-CG 4.49Å; N42-P284 VanDerWaalsContact ND2-CG 3.32Å; N42-P284 WeakPolarHBondContact ND2-CG 3.37Å; N42-P284 WeakPolarHBondContact OD1-CG 3.43Å; I45-P284 HydrophobicContact CD1-CB 3.83Å; I45-P284 HydrophobicContact CD1-CG 4.31Å; P280-P284 WeakPolarHBondContact O-CD 3.32Å; M281-P284 WeakPolarHBondContact O-CD 3.49Å; P284-I286 VanDerWaalsContact C-N 3.27Å; P284-I286 PolarHBondContact O-N 3.39Å; P284-Y287 PolarHBondContact O-N 2.83Å; P284-T288 VanDerWaalsContact O-CB 3.26Å; P284-T288 WeakPolarHBondContact O-CB 3.42Å; P284-T288 VanDerWaalsContact O-CG2 3.24Å; P284-T288 WeakPolarHBondContact O-CG2 3.48Å; P284-T288 PolarHBondContact O-N 3.43Å; P284-T288 PolarHBondContact O-OG1 2.76Å |
| 285 | V | 78.6 | Confident | 80.3 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 40% | 0.4 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.7 | -43.3 | -179.7 | 178 | 0 | 0 | 0 | 0 | 110 | F282 N283 L289 | F282-V285 PolarHBondContact O-N 2.9Å; F282-V285 VanDerWaalsContact O-N 3.14Å; N283-V285 PolarHBondContact O-N 3.09Å; V285-L289 HydrophobicContact CG1-CD1 3.66Å; V285-L289 HydrophobicContact CG1-CG 4.17Å; V285-L289 WeakPolarHBondContact O-CA 3.48Å; V285-L289 WeakPolarHBondContact O-CB 3.25Å; V285-L289 PolarHBondContact O-N 2.95Å |
| 286 | I | 79.9 | Confident | 80.9 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -50.5 | 179.7 | -70.4 | 170.3 | 0 | 0 | 0 | 110.1 | T242 I245 V246 M249 F282 N283 P284 T288 R290 | T242-I286 HydrophobicContact CG2-CB 4.47Å; T242-I286 HydrophobicContact CG2-CG2 3.05Å; I245-I286 HydrophobicContact CG2-CD1 4.22Å; V246-I286 HydrophobicContact CG2-CB 4.18Å; V246-I286 HydrophobicContact CG2-CD1 3.6Å; V246-I286 HydrophobicContact CG2-CG1 4.49Å; V246-I286 HydrophobicContact CG2-CG2 3.71Å; M249-I286 HydrophobicContact SD-CD1 4.29Å; F282-I286 HydrophobicContact CB-CD1 4.06Å; F282-I286 WeakPolarHBondContact O-CB 3.25Å; F282-I286 VanDerWaalsContact O-CG1 3.22Å; F282-I286 WeakPolarHBondContact O-CG1 3.12Å; F282-I286 PolarHBondContact O-N 3.24Å; N283-I286 PolarHBondContact O-N 3.34Å; P284-I286 VanDerWaalsContact C-N 3.27Å; P284-I286 PolarHBondContact O-N 3.39Å; I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 2.88Å; I286-R290 VanDerWaalsContact O-CB 3.25Å; I286-R290 WeakPolarHBondContact O-CB 3.45Å; I286-R290 PolarHBondContact O-N 2.88Å; I286-R290 VanDerWaalsContact O-N 3.15Å |
| 287 | Y | 76.6 | Confident | 81.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.4 | -25.6 | -178.8 | -72.6 | -61.4 | 0 | 0 | 0 | 114.3 | L63 L66 M118 H243 N283 P284 N291 | L63-Y287 HydrophobicContact CD1-CD1 3.76Å; L63-Y287 HydrophobicContact CD1-CD2 3.52Å; L63-Y287 HydrophobicContact CD1-CE1 4.05Å; L63-Y287 HydrophobicContact CD1-CE2 3.83Å; L63-Y287 HydrophobicContact CD1-CG 3.5Å; L63-Y287 VanDerWaalsContact CD1-CG 3.5Å; L63-Y287 HydrophobicContact CD2-CG 4.4Å; L66-Y287 HydrophobicContact CD2-CE2 4.03Å; M118-Y287 HydrophobicContact CE-CE1 4.13Å; H243-Y287 AromaticContact CE1-CE1 3.57Å; H243-Y287 AromaticContact CE1-CZ 3.85Å; H243-Y287 PolarHBondContact CE1-OH 2.74Å; H243-Y287 PolarHBondContact ND1-OH 2.8Å; H243-Y287 AromaticContact NE2-CE1 3.65Å; N283-Y287 HydrophobicContact CB-CD2 4.46Å; N283-Y287 HydrophobicContact CB-CE2 4.47Å; N283-Y287 WeakPolarHBondContact O-CD2 3.37Å; N283-Y287 PolarHBondContact O-N 3.25Å; P284-Y287 PolarHBondContact O-N 2.83Å; Y287-N291 WeakPolarHBondContact O-CB 3.37Å |
| 288 | T | 79.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -92.4 | -51.9 | 177.9 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | I45 P284 I286 M294 K295 M298 | I45-T288 HydrophobicContact CD1-CG2 4.01Å; I45-T288 HydrophobicContact CG1-CG2 3.62Å; P284-T288 VanDerWaalsContact O-CB 3.26Å; P284-T288 WeakPolarHBondContact O-CB 3.42Å; P284-T288 VanDerWaalsContact O-CG2 3.24Å; P284-T288 WeakPolarHBondContact O-CG2 3.48Å; P284-T288 PolarHBondContact O-N 3.43Å; P284-T288 PolarHBondContact O-OG1 2.76Å; I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 2.88Å; T288-M294 HydrophobicContact CG2-CG 3.86Å; T288-K295 WeakPolarHBondContact O-CG 3.26Å; T288-M298 HydrophobicContact CG2-SD 3.99Å |
| 289 | L | 76.8 | Confident | 82.2 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 54% | 0.539 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -82.5 | -15.3 | -173.2 | -57 | -172.9 | 0 | 0 | 0 | 113.9 | V285 K295 | V285-L289 HydrophobicContact CG1-CD1 3.66Å; V285-L289 HydrophobicContact CG1-CG 4.17Å; V285-L289 WeakPolarHBondContact O-CA 3.48Å; V285-L289 WeakPolarHBondContact O-CB 3.25Å; V285-L289 PolarHBondContact O-N 2.95Å; L289-K295 WeakPolarHBondContact O-CE 3.38Å; L289-K295 PolarHBondContact O-NZ 3.47Å |
| 290 | R | 77.9 | Confident | 82.7 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -98.8 | -21.4 | 172.2 | -61.2 | -72.9 | -174.3 | 163.2 | -1.1 | 112.5 | T242 I286 | T242-R290 HydrophobicContact CG2-CB 4.47Å; T242-R290 WeakPolarHBondContact OG1-CB 3.44Å; I286-R290 VanDerWaalsContact O-CB 3.25Å; I286-R290 WeakPolarHBondContact O-CB 3.45Å; I286-R290 PolarHBondContact O-N 2.88Å; I286-R290 VanDerWaalsContact O-N 3.15Å |
| 291 | N | 82.2 | Confident | 83 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | trans | -90.8 | 117.3 | -179.2 | -167.6 | -34.7 | 0 | 0 | 0 | 112.2 | Y60 Y287 D293 M294 K295 | Y60-N291 WeakPolarHBondContact CE1-ND2 3.26Å; Y60-N291 PolarHBondContact OH-ND2 3.05Å; Y60-N291 PolarHBondContact OH-OD1 3.01Å; Y287-N291 WeakPolarHBondContact O-CB 3.37Å; N291-D293 VanDerWaalsContact C-N 3.35Å; N291-D293 PolarHBondContact O-N 3.31Å; N291-D293 WeakPolarHBondContact OD1-CB 3.44Å; N291-D293 PolarHBondContact OD1-N 3.2Å; N291-M294 HydrophobicContact CB-CB 3.96Å; N291-M294 PolarHBondContact O-N 2.82Å; N291-M294 PolarHBondContact OD1-N 3.08Å; N291-K295 WeakPolarHBondContact O-CG 2.9Å; N291-K295 PolarHBondContact O-N 3.14Å; N291-K295 VanDerWaalsContact O-N 3.07Å | ||
| 292 | Q | 82.8 | Confident | 83 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.6 | -33.6 | -179.1 | -63.6 | -64.2 | -25.3 | 0 | 0 | 113.3 | A296 | Q292-A296 WeakPolarHBondContact O-CB 3.36Å; Q292-A296 PolarHBondContact O-N 3Å |
| 293 | D | 85.1 | Confident | 83.1 | Confident | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 179.8 | -57.4 | -18.9 | 0 | 0 | 0 | 109.9 | L55 Y60 K235 N291 A296 A297 | L55-D293 HydrophobicContact CD2-CB 4.1Å; Y60-D293 WeakPolarHBondContact OH-CB 3.47Å; Y60-D293 PolarHBondContact OH-OD2 3.42Å; K235-D293 WeakPolarHBondContact CE-OD1 3.46Å; K235-D293 VanDerWaalsContact CE-OD2 3.32Å; K235-D293 WeakPolarHBondContact CE-OD2 3.44Å; K235-D293 IonicContact NZ-OD1 2.65Å; K235-D293 PolarHBondContact NZ-OD1 2.83Å; K235-D293 IonicContact NZ-OD2 3.99Å; K235-D293 PolarHBondContact NZ-OD2 2.88Å; N291-D293 VanDerWaalsContact C-N 3.35Å; N291-D293 PolarHBondContact O-N 3.31Å; N291-D293 WeakPolarHBondContact OD1-CB 3.44Å; N291-D293 PolarHBondContact OD1-N 3.2Å; D293-A296 PolarHBondContact O-N 2.93Å; D293-A297 WeakPolarHBondContact O-CB 3.43Å; D293-A297 PolarHBondContact O-N 3.36Å |
| 294 | M | 86.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.4 | -171.3 | 60.8 | 68.2 | 0 | 0 | 111 | I45 T48 V49 L55 Y60 L63 T288 N291 A296 A297 M298 | I45-M294 HydrophobicContact CG2-CE 4.47Å; T48-M294 HydrophobicContact CG2-SD 3.69Å; V49-M294 HydrophobicContact CG2-CE 3.77Å; L55-M294 HydrophobicContact CD1-CE 4.12Å; L55-M294 HydrophobicContact CD1-SD 4.04Å; Y60-M294 HydrophobicContact CD1-CE 3.81Å; Y60-M294 HydrophobicContact CE1-CE 4.15Å; L63-M294 HydrophobicContact CD2-CE 3.76Å; T288-M294 HydrophobicContact CG2-CG 3.86Å; N291-M294 HydrophobicContact CB-CB 3.96Å; N291-M294 PolarHBondContact O-N 2.82Å; N291-M294 PolarHBondContact OD1-N 3.08Å; M294-A296 VanDerWaalsContact C-N 3.31Å; M294-A296 PolarHBondContact O-N 3.08Å; M294-A297 PolarHBondContact O-N 3.27Å; M294-M298 HydrophobicContact CG-CG 4.44Å; M294-M298 HydrophobicContact CG-SD 4.03Å; M294-M298 WeakPolarHBondContact O-CB 3.41Å; M294-M298 VanDerWaalsContact O-CG 3.22Å; M294-M298 WeakPolarHBondContact O-CG 2.95Å; M294-M298 PolarHBondContact O-N 3.2Å; M294-M298 HydrophobicContact SD-CG 4.45Å |
| 295 | K | 87.5 | Confident | 82.3 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 173.5 | -71 | -179.1 | -171.9 | 178.8 | 0 | 112.7 | T288 L289 N291 R299 | T288-K295 WeakPolarHBondContact O-CG 3.26Å; L289-K295 WeakPolarHBondContact O-CE 3.38Å; L289-K295 PolarHBondContact O-NZ 3.47Å; N291-K295 WeakPolarHBondContact O-CG 2.9Å; N291-K295 PolarHBondContact O-N 3.14Å; N291-K295 VanDerWaalsContact O-N 3.07Å; K295-R299 WeakPolarHBondContact O-CB 3.18Å; K295-R299 VanDerWaalsContact O-CG 3.27Å; K295-R299 WeakPolarHBondContact O-CG 3.17Å; K295-R299 PolarHBondContact O-N 2.99Å |
| 296 | A | 88.6 | Confident | 81.7 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q292 D293 M294 R299 R300 | Q292-A296 WeakPolarHBondContact O-CB 3.36Å; Q292-A296 PolarHBondContact O-N 3Å; D293-A296 PolarHBondContact O-N 2.93Å; M294-A296 VanDerWaalsContact C-N 3.31Å; M294-A296 PolarHBondContact O-N 3.08Å; A296-R299 PolarHBondContact O-N 2.66Å; A296-R300 WeakPolarHBondContact O-CG 3.43Å; A296-R300 PolarHBondContact O-N 3.49Å |
| 297 | A | 87.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T48 D52 L55 D293 M294 R299 R300 L301 | T48-A297 HydrophobicContact CG2-CB 3.55Å; D52-A297 HydrophobicContact CB-CB 3.94Å; D52-A297 VanDerWaalsContact OD2-CA 3.3Å; D52-A297 WeakPolarHBondContact OD2-CA 2.89Å; D52-A297 VanDerWaalsContact OD2-CB 3.31Å; D52-A297 WeakPolarHBondContact OD2-CB 3.17Å; L55-A297 HydrophobicContact CD1-CB 3.49Å; L55-A297 VanDerWaalsContact CD1-CB 3.49Å; L55-A297 HydrophobicContact CD2-CB 4.38Å; L55-A297 HydrophobicContact CG-CB 3.94Å; D293-A297 WeakPolarHBondContact O-CB 3.43Å; D293-A297 PolarHBondContact O-N 3.36Å; M294-A297 PolarHBondContact O-N 3.27Å; A297-R299 VanDerWaalsContact C-N 3.3Å; A297-R299 PolarHBondContact O-N 3.11Å; A297-R300 WeakPolarHBondContact O-CB 2.94Å; A297-R300 PolarHBondContact O-N 2.01Å; A297-R300 VanDerWaalsContact O-N 3.09Å; A297-L301 PolarHBondContact O-N 3.11Å |
| 298 | M | 88.9 | Confident | 79.6 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 176.8 | -68.3 | 174.4 | 65.7 | 0 | 0 | 112.3 | L44 T48 T288 M294 G302 | L44-M298 HydrophobicContact CD1-CE 4.24Å; L44-M298 HydrophobicContact CD2-CE 3.26Å; L44-M298 HydrophobicContact CG-CE 3.76Å; T48-M298 HydrophobicContact CG2-CG 3.79Å; T288-M298 HydrophobicContact CG2-SD 3.99Å; M294-M298 HydrophobicContact CG-CG 4.44Å; M294-M298 HydrophobicContact CG-SD 4.03Å; M294-M298 WeakPolarHBondContact O-CB 3.41Å; M294-M298 VanDerWaalsContact O-CG 3.22Å; M294-M298 WeakPolarHBondContact O-CG 2.95Å; M294-M298 PolarHBondContact O-N 3.2Å; M294-M298 HydrophobicContact SD-CG 4.45Å; M298-G302 PolarHBondContact O-N 2.95Å |
| 299 | R | 88.1 | Confident | 78.1 | Confident | 177 Ų | 177 | 85.6 Ų | 85.6 | 67% | 0.668 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.3 | -39.6 | 174.8 | -74 | 173.5 | -174.8 | -177.6 | 0.4 | 112.2 | K295 A296 A297 K303 | K295-R299 WeakPolarHBondContact O-CB 3.18Å; K295-R299 VanDerWaalsContact O-CG 3.27Å; K295-R299 WeakPolarHBondContact O-CG 3.17Å; K295-R299 PolarHBondContact O-N 2.99Å; A296-R299 PolarHBondContact O-N 2.66Å; A297-R299 VanDerWaalsContact C-N 3.3Å; A297-R299 PolarHBondContact O-N 3.11Å; R299-K303 WeakPolarHBondContact O-CG 3.25Å; R299-K303 PolarHBondContact O-N 2.98Å; R299-K303 VanDerWaalsContact O-N 3.09Å |
| 300 | R | 88.6 | Confident | 76.3 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 30% | 0.302 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 176.5 | -73.6 | -175.4 | -64.8 | -109.1 | 8.5 | 111.5 | D52 A296 A297 K303 C304 | D52-R300 VanDerWaalsContact CG-NH2 3.27Å; D52-R300 IonicContact OD1-CZ 2.72Å; D52-R300 IonicContact OD1-NH2 3.46Å; D52-R300 PolarHBondContact OD1-NH2 3.41Å; D52-R300 VanDerWaalsContact OD1-NH2 3.07Å; D52-R300 IonicContact OD2-CZ 2.7Å; D52-R300 IonicContact OD2-NE 2.8Å; D52-R300 PolarHBondContact OD2-NE 2.92Å; D52-R300 IonicContact OD2-NH2 3.49Å; D52-R300 PolarHBondContact OD2-NH2 3.2Å; A296-R300 WeakPolarHBondContact O-CG 3.43Å; A296-R300 PolarHBondContact O-N 3.49Å; A297-R300 WeakPolarHBondContact O-CB 2.94Å; A297-R300 PolarHBondContact O-N 2.01Å; A297-R300 VanDerWaalsContact O-N 3.09Å; R300-K303 PolarHBondContact O-N 3.21Å; R300-C304 PolarHBondContact O-N 3.26Å; R300-C304 PolarHBondContact O-SG 3.24Å; R300-C304 VanDerWaalsContact O-SG 3.4Å |
| 301 | L | 86.2 | Confident | 76.3 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.4 | -170.9 | 69.7 | 0 | 0 | 0 | 111.2 | V47 F51 A297 K303 C304 L305 | V47-L301 HydrophobicContact CG1-CD2 3.84Å; F51-L301 HydrophobicContact CB-CD1 3.9Å; A297-L301 PolarHBondContact O-N 3.11Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 2.9Å; L301-C304 PolarHBondContact O-N 3.46Å; L301-L305 HydrophobicContact CG-CD1 4.19Å; L301-L305 WeakPolarHBondContact O-CG 3.33Å; L301-L305 PolarHBondContact O-N 2.86Å |
| 302 | G | 83.7 | Confident | 76 | Confident | 33 Ų | 33 | 91.7 Ų | 91.7 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M298 L305 V306 | M298-G302 PolarHBondContact O-N 2.95Å; G302-L305 PolarHBondContact O-N 3.05Å; G302-V306 VanDerWaalsContact O-CG2 3.29Å; G302-V306 WeakPolarHBondContact O-CG2 3.05Å; G302-V306 PolarHBondContact O-N 2.65Å; G302-V306 VanDerWaalsContact O-N 3.08Å |
| 303 | K | 81.4 | Confident | 75.6 | Confident | 145 Ų | 145 | 90 Ų | 90 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 174.4 | -73.1 | 179.2 | 178.8 | -168.3 | 0 | 112.4 | R299 R300 L301 L305 V306 I307 | R299-K303 WeakPolarHBondContact O-CG 3.25Å; R299-K303 PolarHBondContact O-N 2.98Å; R299-K303 VanDerWaalsContact O-N 3.09Å; R300-K303 PolarHBondContact O-N 3.21Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 2.9Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.38Å; K303-V306 PolarHBondContact O-N 3.01Å; K303-I307 WeakPolarHBondContact O-CD1 3.42Å; K303-I307 WeakPolarHBondContact O-CG1 3.02Å; K303-I307 PolarHBondContact O-N 3.04Å |
| 304 | C | 71.9 | Confident | 75 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | R300 L301 V306 I307 C308 | R300-C304 PolarHBondContact O-N 3.26Å; R300-C304 PolarHBondContact O-SG 3.24Å; R300-C304 VanDerWaalsContact O-SG 3.4Å; L301-C304 PolarHBondContact O-N 3.46Å; C304-V306 VanDerWaalsContact C-N 3.34Å; C304-I307 PolarHBondContact O-N 3.43Å; C304-C308 WeakPolarHBondContact O-CB 3.29Å; C304-C308 PolarHBondContact O-N 2.91Å; C304-C308 PolarHBondContact O-SG 3.12Å |
| 305 | L | 68.9 | Low | 74.3 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.5 | -32.8 | 176.8 | -72.5 | 169.2 | 0 | 0 | 0 | 112.8 | L301 G302 K303 | L301-L305 HydrophobicContact CG-CD1 4.19Å; L301-L305 WeakPolarHBondContact O-CG 3.33Å; L301-L305 PolarHBondContact O-N 2.86Å; G302-L305 PolarHBondContact O-N 3.05Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.38Å |
| 306 | V | 65.9 | Low | 73.4 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.9 | -43.4 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | G302 K303 C304 C308 R309 | G302-V306 VanDerWaalsContact O-CG2 3.29Å; G302-V306 WeakPolarHBondContact O-CG2 3.05Å; G302-V306 PolarHBondContact O-N 2.65Å; G302-V306 VanDerWaalsContact O-N 3.08Å; K303-V306 PolarHBondContact O-N 3.01Å; C304-V306 VanDerWaalsContact C-N 3.34Å; V306-C308 PolarHBondContact O-N 2.98Å; V306-R309 PolarHBondContact O-N 2.72Å; V306-R309 VanDerWaalsContact O-N 3.15Å |
| 307 | I | 59.3 | Low | 72.3 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -32.3 | 179.7 | -65.7 | 163.5 | 0 | 0 | 0 | 112.3 | K303 C304 R309 | K303-I307 WeakPolarHBondContact O-CD1 3.42Å; K303-I307 WeakPolarHBondContact O-CG1 3.02Å; K303-I307 PolarHBondContact O-N 3.04Å; C304-I307 PolarHBondContact O-N 3.43Å; I307-R309 PolarHBondContact O-N 3.23Å |
| 308 | C | 54.5 | Low | 71.1 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -3.5 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | C304 V306 | C304-C308 WeakPolarHBondContact O-CB 3.29Å; C304-C308 PolarHBondContact O-N 2.91Å; C304-C308 PolarHBondContact O-SG 3.12Å; V306-C308 PolarHBondContact O-N 2.98Å |
| 309 | R | 46.6 | Very low | 69.7 | Low | 229 Ų | 229 | 118.6 Ų | 118.6 | 86% | 0.864 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -5 | -179.2 | -152.7 | 178.4 | -173.8 | -172.5 | 0.8 | 112.7 | V306 I307 | V306-R309 PolarHBondContact O-N 2.72Å; V306-R309 VanDerWaalsContact O-N 3.15Å; I307-R309 PolarHBondContact O-N 3.23Å |
| 310 | E | 40.7 | Very low | 68 | Low | 220 Ų | 220 | 113.3 Ų | 113.3 | 100% | 1.028 | 58% | 0.575 | S | S | * | * | trans | -100.5 | 0 | 167.2 | -67.7 | -173.9 | 164.9 | 0 | 0 | 109.9 |
Retrieved 310 of 310 residues in 123.4 ms
(Link to these results)