| 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 | 30.9 | Very low | 46.8 | Very low | 237 Ų | 237 | 112.1 Ų | 112.1 | 100% | 1.167 | 57% | 0.567 | S | S | * | * | 0 | 129.3 | 0 | -80.3 | 178.1 | 179.4 | 0 | 0 | 107.8 | L3 | M1-L3 PolarHBondContact O-N 2.91Š| |||
| 2 | P | 33.3 | Very low | 48 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 78% | 0.779 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 130 | 171.1 | 11.7 | -0.7 | 0 | 0 | 0 | 108.1 | T4 | P2-T4 PolarHBondContact O-N 3.38Å; P2-T4 VanDerWaalsContact O-N 3.11Å |
| 3 | L | 32.7 | Very low | 49.1 | Very low | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 117.3 | 171.3 | -78.1 | 150.8 | 0 | 0 | 0 | 107.7 | M1 D7 V8 | M1-L3 PolarHBondContact O-N 2.91Å; L3-D7 HydrophobicContact CB-CB 4.02Å; L3-D7 HydrophobicContact CD2-CB 3.3Å; L3-D7 HydrophobicContact CG-CB 4.27Å; L3-V8 HydrophobicContact CB-CG2 4.35Å |
| 4 | T | 43.8 | Very low | 50.1 | Low | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 160.9 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 109.4 | P2 Y6 D7 V8 | P2-T4 PolarHBondContact O-N 3.38Å; P2-T4 VanDerWaalsContact O-N 3.11Å; T4-Y6 CarbonylContact O-C 3.55Å; T4-Y6 PolarHBondContact O-N 3.39Å; T4-D7 PolarHBondContact N-OD2 3.44Å; T4-D7 PolarHBondContact O-N 3.23Å; T4-D7 PolarHBondContact OG1-OD2 3.29Å; T4-V8 PolarHBondContact O-N 2.96Å; T4-V8 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 43.7 | Very low | 51 | Low | 157 Ų | 157 | 110.2 Ų | 110.2 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -49.8 | -32.1 | 177 | -150.2 | 90.8 | 0 | 0 | 0 | 112 | Y9 | L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 2.85Å |
| 6 | Y | 48.2 | Very low | 51.6 | Low | 102 Ų | 102 | 113 Ų | 113 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 171.7 | 178.8 | -95 | 0 | 0 | 0 | 112.7 | T4 V8 Y9 H10 L36 | T4-Y6 CarbonylContact O-C 3.55Å; T4-Y6 PolarHBondContact O-N 3.39Å; Y6-V8 VanDerWaalsContact C-N 3.33Å; Y6-V8 PolarHBondContact O-N 3.19Å; Y6-Y9 PolarHBondContact O-N 3.22Å; Y6-H10 AromaticContact CE1-CD2 3.68Å; Y6-H10 AromaticContact CZ-CD2 3.6Å; Y6-H10 WeakPolarHBondContact O-CB 3.36Å; Y6-H10 PolarHBondContact O-N 3.1Å; Y6-H10 PolarHBondContact OH-CD2 3.15Å; Y6-L36 HydrophobicContact CE2-CD2 3.98Å; Y6-L36 WeakPolarHBondContact OH-CD2 3.24Å |
| 7 | D | 51.6 | Low | 52 | Low | 56 Ų | 56 | 108.1 Ų | 108.1 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | -179.3 | -55.1 | -50.5 | 0 | 0 | 0 | 111.6 | L3 T4 H10 Q11 | L3-D7 HydrophobicContact CB-CB 4.02Å; L3-D7 HydrophobicContact CD2-CB 3.3Å; L3-D7 HydrophobicContact CG-CB 4.27Å; T4-D7 PolarHBondContact N-OD2 3.44Å; T4-D7 PolarHBondContact O-N 3.23Å; T4-D7 PolarHBondContact OG1-OD2 3.29Å; D7-H10 PolarHBondContact O-N 3.23Å; D7-Q11 WeakPolarHBondContact O-CB 3.49Å; D7-Q11 WeakPolarHBondContact O-CG 3.23Å; D7-Q11 PolarHBondContact O-N 2.82Å |
| 8 | V | 55.2 | Low | 52.5 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 38% | 0.376 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L3 T4 Y6 K12 | L3-V8 HydrophobicContact CB-CG2 4.35Å; T4-V8 PolarHBondContact O-N 2.96Å; T4-V8 VanDerWaalsContact O-N 3.15Å; Y6-V8 VanDerWaalsContact C-N 3.33Å; Y6-V8 PolarHBondContact O-N 3.19Å; V8-K12 WeakPolarHBondContact O-CB 3.35Å; V8-K12 WeakPolarHBondContact O-CG 3.47Å; V8-K12 PolarHBondContact O-N 2.85Å |
| 9 | Y | 53.4 | Low | 53.2 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.7 | -40.9 | 178.5 | -147.7 | -91 | 0 | 0 | 0 | 111.6 | L5 Y6 Q11 K12 V13 M35 | L5-Y9 WeakPolarHBondContact O-CB 3.44Å; L5-Y9 PolarHBondContact O-N 2.85Å; Y6-Y9 PolarHBondContact O-N 3.22Å; Y9-Q11 PolarHBondContact O-N 2.87Å; Y9-K12 PolarHBondContact O-N 3.02Å; Y9-V13 HydrophobicContact CD1-CG2 3.77Å; Y9-V13 HydrophobicContact CE1-CG2 3.78Å; Y9-V13 WeakPolarHBondContact O-CG2 3.38Å; Y9-V13 PolarHBondContact O-N 3.28Å; Y9-M35 HydrophobicContact CE1-CE 4.47Å |
| 10 | H | 58.6 | Low | 53.6 | Low | 56 Ų | 56 | 114.6 Ų | 114.6 | 26% | 0.259 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.8 | -154.8 | -61.6 | 0 | 0 | 0 | 111.6 | Y6 D7 N14 Y32 | Y6-H10 AromaticContact CE1-CD2 3.68Å; Y6-H10 AromaticContact CZ-CD2 3.6Å; Y6-H10 WeakPolarHBondContact O-CB 3.36Å; Y6-H10 PolarHBondContact O-N 3.1Å; Y6-H10 PolarHBondContact OH-CD2 3.15Å; D7-H10 PolarHBondContact O-N 3.23Å; H10-N14 PolarHBondContact ND1-ND2 3.41Å; H10-N14 VanDerWaalsContact O-CB 3.29Å; H10-N14 WeakPolarHBondContact O-CB 3.5Å; H10-N14 PolarHBondContact O-N 3.3Å; H10-N14 PolarHBondContact O-ND2 2.98Å; H10-Y32 PolarHBondContact CD2-OH 3.31Å; H10-Y32 PolarHBondContact CE1-OH 3.32Å; H10-Y32 PolarHBondContact ND1-OH 3.11Å; H10-Y32 PolarHBondContact NE2-OH 3.3Å |
| 11 | Q | 63 | Low | 54 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 172 | -79.2 | -175.8 | -6.7 | 0 | 0 | 112 | D7 Y9 R15 | D7-Q11 WeakPolarHBondContact O-CB 3.49Å; D7-Q11 WeakPolarHBondContact O-CG 3.23Å; D7-Q11 PolarHBondContact O-N 2.82Å; Y9-Q11 PolarHBondContact O-N 2.87Å; Q11-R15 WeakPolarHBondContact O-CB 3.4Å; Q11-R15 PolarHBondContact O-N 3.04Å |
| 12 | K | 61.1 | Low | 55.6 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.9 | -49.9 | 177.6 | -81.4 | -177.4 | 178.8 | -178.2 | 0 | 111.5 | V8 Y9 R15 Y16 | V8-K12 WeakPolarHBondContact O-CB 3.35Å; V8-K12 WeakPolarHBondContact O-CG 3.47Å; V8-K12 PolarHBondContact O-N 2.85Å; Y9-K12 PolarHBondContact O-N 3.02Å; K12-R15 WeakPolarHBondContact O-CB 3.46Å; K12-R15 PolarHBondContact O-N 3.15Å; K12-R15 VanDerWaalsContact O-N 3.13Å; K12-Y16 VanDerWaalsContact O-CD2 3.27Å; K12-Y16 WeakPolarHBondContact O-CD2 3.21Å; K12-Y16 PolarHBondContact O-N 2.85Å |
| 13 | V | 63 | Low | 56.9 | Low | 31 Ų | 31 | 109.7 Ų | 109.7 | 19% | 0.188 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | Y9 R15 Y16 L17 Y32 | Y9-V13 HydrophobicContact CD1-CG2 3.77Å; Y9-V13 HydrophobicContact CE1-CG2 3.78Å; Y9-V13 WeakPolarHBondContact O-CG2 3.38Å; Y9-V13 PolarHBondContact O-N 3.28Å; V13-R15 PolarHBondContact O-N 2.79Å; V13-Y16 PolarHBondContact O-N 2.78Å; V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 HydrophobicContact CG1-CG 4.29Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 2.95Å; V13-Y32 HydrophobicContact CB-CD2 4.13Å; V13-Y32 HydrophobicContact CB-CE2 3.76Å; V13-Y32 HydrophobicContact CG1-CD2 3.28Å; V13-Y32 HydrophobicContact CG1-CE2 3.42Å; V13-Y32 VanDerWaalsContact CG1-CE2 3.42Å; V13-Y32 HydrophobicContact CG1-CG 4.18Å; V13-Y32 HydrophobicContact CG2-CE2 4.39Å |
| 14 | N | 62.9 | Low | 58.2 | Low | 65 Ų | 65 | 110 Ų | 110 | 35% | 0.348 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 173.3 | -83.5 | -23.7 | 0 | 0 | 0 | 112.8 | H10 | H10-N14 PolarHBondContact ND1-ND2 3.41Å; H10-N14 VanDerWaalsContact O-CB 3.29Å; H10-N14 WeakPolarHBondContact O-CB 3.5Å; H10-N14 PolarHBondContact O-N 3.3Å; H10-N14 PolarHBondContact O-ND2 2.98Å |
| 15 | R | 63.7 | Low | 59.3 | Low | 197 Ų | 197 | 109.1 Ų | 109.1 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.4 | -42.1 | 175.6 | -158 | 178.4 | -167.8 | -179 | 3.1 | 111.4 | Q11 K12 V13 R18 | Q11-R15 WeakPolarHBondContact O-CB 3.4Å; Q11-R15 PolarHBondContact O-N 3.04Å; K12-R15 WeakPolarHBondContact O-CB 3.46Å; K12-R15 PolarHBondContact O-N 3.15Å; K12-R15 VanDerWaalsContact O-N 3.13Å; V13-R15 PolarHBondContact O-N 2.79Å; R15-R18 PolarHBondContact O-N 3.44Å |
| 16 | Y | 59.8 | Low | 60.6 | Low | 155 Ų | 155 | 106.8 Ų | 106.8 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 175 | -87 | -77.9 | 0 | 0 | 0 | 112.1 | K12 V13 R18 I19 F20 | K12-Y16 VanDerWaalsContact O-CD2 3.27Å; K12-Y16 WeakPolarHBondContact O-CD2 3.21Å; K12-Y16 PolarHBondContact O-N 2.85Å; V13-Y16 PolarHBondContact O-N 2.78Å; Y16-R18 PolarHBondContact O-N 3.39Å; Y16-I19 PolarHBondContact O-N 3.14Å; Y16-F20 VanDerWaalsContact O-CD2 3.29Å; Y16-F20 WeakPolarHBondContact O-CD2 3.44Å |
| 17 | L | 59 | Low | 61.6 | Low | 30 Ų | 30 | 106.5 Ų | 106.5 | 16% | 0.157 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.2 | -25.3 | 180 | -73.9 | 170.7 | 0 | 0 | 0 | 113.7 | V13 I19 H25 Y32 | V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 HydrophobicContact CG1-CG 4.29Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 2.95Å; L17-I19 VanDerWaalsContact C-N 3.31Å; L17-H25 PolarHBondContact O-CE1 3.14Å; L17-H25 VanDerWaalsContact O-CE1 3.27Å; L17-H25 PolarHBondContact O-NE2 3.05Å; L17-Y32 HydrophobicContact CD1-CD1 4.35Å; L17-Y32 HydrophobicContact CD1-CG 4.11Å |
| 18 | R | 61.8 | Low | 62.4 | Low | 209 Ų | 209 | 104.6 Ų | 104.6 | 79% | 0.789 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.1 | 175 | -71.5 | -174.9 | -153.8 | -167.5 | 4 | 114.4 | R15 Y16 | R15-R18 PolarHBondContact O-N 3.44Å; Y16-R18 PolarHBondContact O-N 3.39Å |
| 19 | I | 66 | Low | 63.2 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 68% | 0.677 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -19.1 | -176.4 | -57.1 | 168.8 | 0 | 0 | 0 | 110.7 | Y16 L17 | Y16-I19 PolarHBondContact O-N 3.14Å; L17-I19 VanDerWaalsContact C-N 3.31Å |
| 20 | F | 60 | Low | 64 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -79.2 | 146 | -179.3 | -78.7 | -83.2 | 0 | 0 | 0 | 112.4 | Y16 F24 H25 | Y16-F20 VanDerWaalsContact O-CD2 3.29Å; Y16-F20 WeakPolarHBondContact O-CD2 3.44Å; F20-F24 HydrophobicContact CB-CB 4.36Å; F20-H25 PolarHBondContact O-NE2 3.13Å |
| 21 | P | 61.8 | Low | 64.5 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | trans | -56.3 | 148.7 | 173.6 | -21.4 | 31.4 | 0 | 0 | 0 | 112.3 | E23 F24 | P21-E23 PolarHBondContact O-N 3.42Å; P21-F24 PolarHBondContact O-N 2.91Å | ||
| 22 | T | 64.1 | Low | 64.7 | Low | 120 Ų | 120 | 105.1 Ų | 105.1 | 74% | 0.736 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -50.4 | -30 | -179.1 | 28.1 | 0 | 0 | 0 | 0 | 114.4 | F24 H25 | T22-F24 VanDerWaalsContact C-N 3.33Å; T22-F24 PolarHBondContact O-N 2.94Å; T22-H25 WeakPolarHBondContact O-CB 3.45Å; T22-H25 PolarHBondContact O-N 3.49Å |
| 23 | E | 62.2 | Low | 65.1 | Low | 172 Ų | 172 | 102.5 Ų | 102.5 | 80% | 0.804 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -68.3 | -29.8 | 177.9 | -65.3 | 170.7 | -179.2 | 0 | 0 | 113.1 | P21 | P21-E23 PolarHBondContact O-N 3.42Š|
| 24 | F | 59.5 | Low | 65.4 | Low | 111 Ų | 111 | 106 Ų | 106 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -88.9 | -8.2 | 176.2 | -75.9 | -82.6 | 0 | 0 | 0 | 113.4 | F20 P21 T22 V26 L27 G28 | F20-F24 HydrophobicContact CB-CB 4.36Å; P21-F24 PolarHBondContact O-N 2.91Å; T22-F24 VanDerWaalsContact C-N 3.33Å; T22-F24 PolarHBondContact O-N 2.94Å; F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.49Å; F24-L27 HydrophobicContact CD1-CD2 4.4Å; F24-L27 PolarHBondContact O-N 3.13Å; F24-G28 PolarHBondContact O-N 2.95Å |
| 25 | H | 66.3 | Low | 65.6 | Low | 58 Ų | 58 | 106.8 Ų | 106.8 | 27% | 0.269 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | -178.9 | -95.7 | -96.8 | 0 | 0 | 0 | 112.5 | L17 F20 T22 Q29 | L17-H25 PolarHBondContact O-CE1 3.14Å; L17-H25 VanDerWaalsContact O-CE1 3.27Å; L17-H25 PolarHBondContact O-NE2 3.05Å; F20-H25 PolarHBondContact O-NE2 3.13Å; T22-H25 WeakPolarHBondContact O-CB 3.45Å; T22-H25 PolarHBondContact O-N 3.49Å; H25-Q29 VanDerWaalsContact O-CB 3.28Å; H25-Q29 WeakPolarHBondContact O-CB 3.49Å; H25-Q29 VanDerWaalsContact O-CG 3.25Å; H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.22Å |
| 26 | V | 72.3 | Confident | 65.7 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.4 | -46.2 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | F24 Q29 Y30 | F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.49Å; V26-Q29 PolarHBondContact O-N 2.95Å; V26-Y30 WeakPolarHBondContact O-CB 3.26Å; V26-Y30 PolarHBondContact O-N 3.01Å |
| 27 | L | 69.4 | Low | 66 | Low | 96 Ų | 96 | 94.4 Ų | 94.4 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.7 | -176.2 | 64.9 | 0 | 0 | 0 | 111.2 | F24 Y30 I31 | F24-L27 HydrophobicContact CD1-CD2 4.4Å; F24-L27 PolarHBondContact O-N 3.13Å; L27-Y30 PolarHBondContact O-N 3.19Å; L27-I31 HydrophobicContact CD1-CD1 4.25Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 2.9Å |
| 28 | G | 68 | Low | 66.4 | Low | 16 Ų | 16 | 97.8 Ų | 97.8 | 17% | 0.165 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F24 Y32 | F24-G28 PolarHBondContact O-N 2.95Å; G28-Y32 WeakPolarHBondContact O-CB 3.4Å; G28-Y32 PolarHBondContact O-N 2.98Å |
| 29 | Q | 70.8 | Confident | 66.3 | Low | 121 Ų | 121 | 91.1 Ų | 91.1 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 174.2 | -80.3 | -180 | -12.2 | 0 | 0 | 112.3 | H25 V26 S33 | H25-Q29 VanDerWaalsContact O-CB 3.28Å; H25-Q29 WeakPolarHBondContact O-CB 3.49Å; H25-Q29 VanDerWaalsContact O-CG 3.25Å; H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.22Å; V26-Q29 PolarHBondContact O-N 2.95Å; Q29-S33 VanDerWaalsContact O-CB 3.31Å; Q29-S33 WeakPolarHBondContact O-CB 3.39Å; Q29-S33 PolarHBondContact O-N 2.94Å |
| 30 | Y | 70.1 | Confident | 66.1 | Low | 148 Ų | 148 | 88.8 Ų | 88.8 | 58% | 0.58 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.3 | -49.6 | 176.9 | 177.4 | -101.6 | 0 | 0 | 0 | 112.4 | V26 L27 Y32 S33 K34 | V26-Y30 WeakPolarHBondContact O-CB 3.26Å; V26-Y30 PolarHBondContact O-N 3.01Å; L27-Y30 PolarHBondContact O-N 3.19Å; Y30-Y32 VanDerWaalsContact C-N 3.28Å; Y30-Y32 PolarHBondContact O-N 3.07Å; Y30-S33 PolarHBondContact O-N 3.31Å; Y30-K34 WeakPolarHBondContact O-CB 3.48Å; Y30-K34 PolarHBondContact O-N 3.44Å |
| 31 | I | 69.5 | Low | 65.7 | Low | 89 Ų | 89 | 90.4 Ų | 90.4 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 176.6 | -67.6 | 168.5 | 0 | 0 | 0 | 109.8 | L27 K34 M35 | L27-I31 HydrophobicContact CD1-CD1 4.25Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.35Å; L27-I31 PolarHBondContact O-N 2.9Å; I31-K34 PolarHBondContact O-N 3.23Å; I31-M35 HydrophobicContact CG2-CG 4.49Å; I31-M35 HydrophobicContact CG2-SD 4.28Å; I31-M35 WeakPolarHBondContact O-CG 3.39Å; I31-M35 PolarHBondContact O-N 2.91Å |
| 32 | Y | 67.1 | Low | 65.4 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 13% | 0.125 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.1 | -177.7 | -117.3 | 0 | 0 | 0 | 113 | H10 V13 L17 G28 Y30 K34 M35 L36 | H10-Y32 PolarHBondContact CD2-OH 3.31Å; H10-Y32 PolarHBondContact CE1-OH 3.32Å; H10-Y32 PolarHBondContact ND1-OH 3.11Å; H10-Y32 PolarHBondContact NE2-OH 3.3Å; V13-Y32 HydrophobicContact CB-CD2 4.13Å; V13-Y32 HydrophobicContact CB-CE2 3.76Å; V13-Y32 HydrophobicContact CG1-CD2 3.28Å; V13-Y32 HydrophobicContact CG1-CE2 3.42Å; V13-Y32 VanDerWaalsContact CG1-CE2 3.42Å; V13-Y32 HydrophobicContact CG1-CG 4.18Å; V13-Y32 HydrophobicContact CG2-CE2 4.39Å; L17-Y32 HydrophobicContact CD1-CD1 4.35Å; L17-Y32 HydrophobicContact CD1-CG 4.11Å; G28-Y32 WeakPolarHBondContact O-CB 3.4Å; G28-Y32 PolarHBondContact O-N 2.98Å; Y30-Y32 VanDerWaalsContact C-N 3.28Å; Y30-Y32 PolarHBondContact O-N 3.07Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 2.92Å; Y32-M35 PolarHBondContact O-N 3.42Å; Y32-L36 HydrophobicContact CD1-CD1 3.75Å; Y32-L36 HydrophobicContact CD1-CG 4.48Å; Y32-L36 HydrophobicContact CE1-CD1 3.31Å; Y32-L36 HydrophobicContact CE1-CG 4.12Å; Y32-L36 HydrophobicContact CE2-CD1 4.23Å; Y32-L36 HydrophobicContact CE2-CG 4.14Å; Y32-L36 HydrophobicContact CG-CD1 4.39Å; Y32-L36 WeakPolarHBondContact O-CB 3.19Å; Y32-L36 WeakPolarHBondContact O-CG 3.23Å; Y32-L36 PolarHBondContact O-N 3.36Å |
| 33 | S | 70.2 | Confident | 65.1 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | Q29 Y30 L36 S37 | Q29-S33 VanDerWaalsContact O-CB 3.31Å; Q29-S33 WeakPolarHBondContact O-CB 3.39Å; Q29-S33 PolarHBondContact O-N 2.94Å; Y30-S33 PolarHBondContact O-N 3.31Å; S33-L36 PolarHBondContact O-N 3.5Å; S33-S37 WeakPolarHBondContact O-CB 3.43Å; S33-S37 PolarHBondContact O-N 2.96Å |
| 34 | K | 69.8 | Low | 64.6 | Low | 105 Ų | 105 | 93.7 Ų | 93.7 | 46% | 0.457 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | 178.2 | -164.2 | 176.3 | -179.7 | -174.9 | 0 | 111.4 | Y30 I31 Y32 L36 S37 E38 | Y30-K34 WeakPolarHBondContact O-CB 3.48Å; Y30-K34 PolarHBondContact O-N 3.44Å; I31-K34 PolarHBondContact O-N 3.23Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 2.92Å; K34-L36 PolarHBondContact O-N 3.47Å; K34-S37 PolarHBondContact O-N 3.47Å; K34-E38 PolarHBondContact O-N 3.39Å |
| 35 | M | 65.4 | Low | 64.7 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 172.8 | -75.3 | -176.9 | 78.1 | 0 | 0 | 111.5 | Y9 I31 Y32 S37 E38 C39 | Y9-M35 HydrophobicContact CE1-CE 4.47Å; I31-M35 HydrophobicContact CG2-CG 4.49Å; I31-M35 HydrophobicContact CG2-SD 4.28Å; I31-M35 WeakPolarHBondContact O-CG 3.39Å; I31-M35 PolarHBondContact O-N 2.91Å; Y32-M35 PolarHBondContact O-N 3.42Å; M35-S37 VanDerWaalsContact C-N 3.34Å; M35-S37 PolarHBondContact O-N 3.12Å; M35-E38 PolarHBondContact O-N 3.35Å; M35-E38 VanDerWaalsContact O-N 3.17Å; M35-C39 WeakPolarHBondContact O-CB 3.38Å; M35-C39 PolarHBondContact O-N 2.98Å; M35-C39 PolarHBondContact O-SG 3.36Å; M35-C39 VanDerWaalsContact O-SG 3.35Å |
| 36 | L | 65.8 | Low | 64.8 | Low | 47 Ų | 47 | 94.4 Ų | 94.4 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.3 | -81.7 | 172.6 | 0 | 0 | 0 | 111.9 | Y6 Y32 S33 K34 E38 C39 C40 | Y6-L36 HydrophobicContact CE2-CD2 3.98Å; Y6-L36 WeakPolarHBondContact OH-CD2 3.24Å; Y32-L36 HydrophobicContact CD1-CD1 3.75Å; Y32-L36 HydrophobicContact CD1-CG 4.48Å; Y32-L36 HydrophobicContact CE1-CD1 3.31Å; Y32-L36 HydrophobicContact CE1-CG 4.12Å; Y32-L36 HydrophobicContact CE2-CD1 4.23Å; Y32-L36 HydrophobicContact CE2-CG 4.14Å; Y32-L36 HydrophobicContact CG-CD1 4.39Å; Y32-L36 WeakPolarHBondContact O-CB 3.19Å; Y32-L36 WeakPolarHBondContact O-CG 3.23Å; Y32-L36 PolarHBondContact O-N 3.36Å; S33-L36 PolarHBondContact O-N 3.5Å; K34-L36 PolarHBondContact O-N 3.47Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.82Å; L36-C39 PolarHBondContact O-N 2.98Å; L36-C40 WeakPolarHBondContact O-CB 3.23Å; L36-C40 PolarHBondContact O-N 3.35Å |
| 37 | S | 67.2 | Low | 65.1 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.4 | 130.9 | 0 | 0 | 0 | 0 | 111.8 | S33 K34 M35 R41 | S33-S37 WeakPolarHBondContact O-CB 3.43Å; S33-S37 PolarHBondContact O-N 2.96Å; K34-S37 PolarHBondContact O-N 3.47Å; M35-S37 VanDerWaalsContact C-N 3.34Å; M35-S37 PolarHBondContact O-N 3.12Å; S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 WeakPolarHBondContact O-CG 3.23Å; S37-R41 PolarHBondContact O-N 2.92Å; S37-R41 PolarHBondContact OG-NE 2.93Å; S37-R41 PolarHBondContact OG-NH2 3.33Å |
| 38 | E | 66.1 | Low | 65.5 | Low | 102 Ų | 102 | 93 Ų | 93 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 177.5 | -76 | 179.3 | -173.9 | 0 | 0 | 111.9 | K34 M35 L36 C40 R41 Y42 | K34-E38 PolarHBondContact O-N 3.39Å; M35-E38 PolarHBondContact O-N 3.35Å; M35-E38 VanDerWaalsContact O-N 3.17Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.82Å; E38-C40 VanDerWaalsContact C-N 3.31Å; E38-C40 PolarHBondContact O-N 3.1Å; E38-R41 PolarHBondContact O-N 3.42Å; E38-Y42 WeakPolarHBondContact O-CB 3.42Å; E38-Y42 PolarHBondContact O-N 3.06Å |
| 39 | C | 60.2 | Low | 66.2 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 46% | 0.459 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 172.3 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | M35 L36 Y42 R43 | M35-C39 WeakPolarHBondContact O-CB 3.38Å; M35-C39 PolarHBondContact O-N 2.98Å; M35-C39 PolarHBondContact O-SG 3.36Å; M35-C39 VanDerWaalsContact O-SG 3.35Å; L36-C39 PolarHBondContact O-N 2.98Å; C39-Y42 PolarHBondContact O-N 3.28Å; C39-R43 VanDerWaalsContact O-CB 3.29Å; C39-R43 WeakPolarHBondContact O-CB 3.38Å; C39-R43 PolarHBondContact O-N 2.62Å |
| 40 | C | 61.3 | Low | 66.9 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.1 | -42.5 | 176.8 | -162.3 | 0 | 0 | 0 | 0 | 111.1 | L36 E38 R43 Y44 | L36-C40 WeakPolarHBondContact O-CB 3.23Å; L36-C40 PolarHBondContact O-N 3.35Å; E38-C40 VanDerWaalsContact C-N 3.31Å; E38-C40 PolarHBondContact O-N 3.1Å; C40-R43 PolarHBondContact O-N 3.45Å; C40-Y44 VanDerWaalsContact O-CB 3.28Å; C40-Y44 WeakPolarHBondContact O-CB 3.42Å; C40-Y44 PolarHBondContact O-N 3.33Å |
| 41 | R | 52.7 | Low | 67.8 | Low | 147 Ų | 147 | 92 Ų | 92 | 56% | 0.555 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 171.6 | -87.3 | -174.2 | -93.5 | 179 | -10 | 112.3 | S37 E38 Y44 R45 | S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 WeakPolarHBondContact O-CG 3.23Å; S37-R41 PolarHBondContact O-N 2.92Å; S37-R41 PolarHBondContact OG-NE 2.93Å; S37-R41 PolarHBondContact OG-NH2 3.33Å; E38-R41 PolarHBondContact O-N 3.42Å; R41-Y44 PolarHBondContact O-N 3.21Å; R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 WeakPolarHBondContact O-CG 3.45Å; R41-R45 PolarHBondContact O-N 3.32Å |
| 42 | Y | 55.3 | Low | 69 | Low | 127 Ų | 127 | 90.8 Ų | 90.8 | 50% | 0.498 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 176.6 | -176.3 | -97.9 | 0 | 0 | 0 | 110.8 | E38 C39 Y44 R45 C46 | E38-Y42 WeakPolarHBondContact O-CB 3.42Å; E38-Y42 PolarHBondContact O-N 3.06Å; C39-Y42 PolarHBondContact O-N 3.28Å; Y42-Y44 VanDerWaalsContact C-N 3.32Å; Y42-Y44 PolarHBondContact O-N 3.07Å; Y42-R45 PolarHBondContact O-N 3.42Å; Y42-R45 VanDerWaalsContact O-N 3.16Å; Y42-C46 VanDerWaalsContact CE1-SG 3.52Å; Y42-C46 PolarHBondContact O-N 3.24Å; Y42-C46 PolarHBondContact O-SG 2.91Å; Y42-C46 VanDerWaalsContact O-SG 3.37Å |
| 43 | R | 57.9 | Low | 70.3 | Confident | 150 Ų | 150 | 90.2 Ų | 90.2 | 57% | 0.566 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 175.2 | -175.1 | 176.7 | -177.9 | 174 | -0.1 | 112 | C39 C40 N47 | C39-R43 VanDerWaalsContact O-CB 3.29Å; C39-R43 WeakPolarHBondContact O-CB 3.38Å; C39-R43 PolarHBondContact O-N 2.62Å; C40-R43 PolarHBondContact O-N 3.45Å; R43-N47 VanDerWaalsContact O-CB 3.31Å; R43-N47 WeakPolarHBondContact O-CB 3.42Å; R43-N47 VanDerWaalsContact O-CG 3.26Å; R43-N47 PolarHBondContact O-N 3.06Å |
| 44 | Y | 51.8 | Low | 71.5 | Confident | 162 Ų | 162 | 90 Ų | 90 | 64% | 0.635 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 175.9 | -178.5 | -92.4 | 0 | 0 | 0 | 111.3 | C40 R41 Y42 N47 H48 | C40-Y44 VanDerWaalsContact O-CB 3.28Å; C40-Y44 WeakPolarHBondContact O-CB 3.42Å; C40-Y44 PolarHBondContact O-N 3.33Å; R41-Y44 PolarHBondContact O-N 3.21Å; Y42-Y44 VanDerWaalsContact C-N 3.32Å; Y42-Y44 PolarHBondContact O-N 3.07Å; Y44-N47 PolarHBondContact O-N 3.38Å; Y44-H48 VanDerWaalsContact O-CB 3.29Å; Y44-H48 WeakPolarHBondContact O-CB 3.3Å; Y44-H48 PolarHBondContact O-N 3.14Å |
| 45 | R | 62.2 | Low | 72.8 | Confident | 155 Ų | 155 | 89.3 Ų | 89.3 | 59% | 0.585 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.5 | -50.3 | 175.6 | -77.2 | 179.8 | 175.8 | -163.6 | -1.6 | 111.7 | R41 Y42 N47 H48 W49 | R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 WeakPolarHBondContact O-CG 3.45Å; R41-R45 PolarHBondContact O-N 3.32Å; Y42-R45 PolarHBondContact O-N 3.42Å; Y42-R45 VanDerWaalsContact O-N 3.16Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.46Å; R45-H48 WeakPolarHBondContact O-CB 3.37Å; R45-H48 PolarHBondContact O-N 2.95Å; R45-H48 VanDerWaalsContact O-N 3.13Å; R45-W49 HydrophobicContact CB-CZ2 4.4Å; R45-W49 PolarHBondContact O-N 3.46Å |
| 46 | C | 67.2 | Low | 74.3 | Confident | 29 Ų | 29 | 85.4 Ų | 85.4 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | Y42 H48 W49 K50 | Y42-C46 VanDerWaalsContact CE1-SG 3.52Å; Y42-C46 PolarHBondContact O-N 3.24Å; Y42-C46 PolarHBondContact O-SG 2.91Å; Y42-C46 VanDerWaalsContact O-SG 3.37Å; C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 2.06Å; C46-W49 PolarHBondContact O-N 3.42Å; C46-K50 WeakPolarHBondContact O-CB 3.31Å; C46-K50 VanDerWaalsContact O-CG 3.31Å; C46-K50 WeakPolarHBondContact O-CG 3.46Å; C46-K50 PolarHBondContact O-N 3.34Å |
| 47 | N | 78.2 | Confident | 75.9 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.4 | -77.6 | -9.6 | 0 | 0 | 0 | 111.8 | R43 Y44 R45 L51 | R43-N47 VanDerWaalsContact O-CB 3.31Å; R43-N47 WeakPolarHBondContact O-CB 3.42Å; R43-N47 VanDerWaalsContact O-CG 3.26Å; R43-N47 PolarHBondContact O-N 3.06Å; Y44-N47 PolarHBondContact O-N 3.38Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.46Å; N47-L51 VanDerWaalsContact O-CB 3.32Å; N47-L51 WeakPolarHBondContact O-CB 3.45Å; N47-L51 PolarHBondContact O-N 3.22Å |
| 48 | H | 79.2 | Confident | 77.3 | Confident | 85 Ų | 85 | 84.6 Ų | 84.6 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.2 | -175.2 | 69.1 | 0 | 0 | 0 | 111.6 | Y44 R45 C46 L51 R52 | Y44-H48 VanDerWaalsContact O-CB 3.29Å; Y44-H48 WeakPolarHBondContact O-CB 3.3Å; Y44-H48 PolarHBondContact O-N 3.14Å; R45-H48 WeakPolarHBondContact O-CB 3.37Å; R45-H48 PolarHBondContact O-N 2.95Å; R45-H48 VanDerWaalsContact O-N 3.13Å; C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 2.06Å; H48-L51 PolarHBondContact O-N 2.97Å; H48-R52 WeakPolarHBondContact NE2-CD 3.28Å; H48-R52 WeakPolarHBondContact O-CG 3.5Å; H48-R52 PolarHBondContact O-N 3.12Å |
| 49 | W | 81.8 | Confident | 78.8 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 25% | 0.25 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 178.4 | -56.4 | -7.6 | 0 | 0 | 0 | 112 | R45 C46 L51 R52 N53 D306 | R45-W49 HydrophobicContact CB-CZ2 4.4Å; R45-W49 PolarHBondContact O-N 3.46Å; C46-W49 PolarHBondContact O-N 3.42Å; W49-L51 VanDerWaalsContact C-N 3.3Å; W49-L51 PolarHBondContact O-N 3.45Å; W49-R52 PolarHBondContact O-N 3.44Å; W49-N53 WeakPolarHBondContact O-CB 3.29Å; W49-N53 PolarHBondContact O-N 3.4Å; W49-N53 PolarHBondContact O-ND2 2.88Å; W49-D306 WeakPolarHBondContact CH2-OD2 3.41Å; W49-D306 WeakPolarHBondContact CZ3-OD2 3.27Å |
| 50 | K | 85.9 | Confident | 80.6 | Confident | 100 Ų | 100 | 78.7 Ų | 78.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 172.6 | -74.3 | -172.2 | -175.6 | -144.2 | 0 | 111.3 | C46 Y54 D185 | C46-K50 WeakPolarHBondContact O-CB 3.31Å; C46-K50 VanDerWaalsContact O-CG 3.31Å; C46-K50 WeakPolarHBondContact O-CG 3.46Å; C46-K50 PolarHBondContact O-N 3.34Å; K50-Y54 WeakPolarHBondContact O-CB 3.48Å; K50-Y54 PolarHBondContact O-N 3.02Å; K50-D185 WeakPolarHBondContact CE-OD1 3.42Å; K50-D185 IonicContact NZ-OD1 3.75Å; K50-D185 PolarHBondContact NZ-OD1 2.85Å |
| 51 | L | 89.9 | Confident | 82.3 | Confident | 98 Ų | 98 | 74.7 Ų | 74.7 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 177 | -179.4 | 62.1 | 0 | 0 | 0 | 112 | N47 H48 W49 N53 Y54 L55 | N47-L51 VanDerWaalsContact O-CB 3.32Å; N47-L51 WeakPolarHBondContact O-CB 3.45Å; N47-L51 PolarHBondContact O-N 3.22Å; H48-L51 PolarHBondContact O-N 2.97Å; W49-L51 VanDerWaalsContact C-N 3.3Å; W49-L51 PolarHBondContact O-N 3.45Å; L51-N53 PolarHBondContact O-N 3.26Å; L51-Y54 PolarHBondContact O-N 2.92Å; L51-L55 HydrophobicContact CD1-CD1 4.23Å; L51-L55 HydrophobicContact CD1-CG 4.16Å; L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 HydrophobicContact CG-CG 4.46Å; L51-L55 WeakPolarHBondContact O-CB 3.47Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.35Å |
| 52 | R | 94.6 | Very high | 84.4 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -48 | 176.3 | -77.2 | 179.2 | 66.3 | -151.3 | 4.4 | 111.7 | H48 W49 L55 A56 F236 V237 D239 | H48-R52 WeakPolarHBondContact NE2-CD 3.28Å; H48-R52 WeakPolarHBondContact O-CG 3.5Å; H48-R52 PolarHBondContact O-N 3.12Å; W49-R52 PolarHBondContact O-N 3.44Å; R52-L55 PolarHBondContact O-N 3.43Å; R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 3.48Å; R52-F236 PolarHBondContact NH2-O 3.27Å; R52-V237 PolarHBondContact NE-O 3.38Å; R52-V237 VanDerWaalsContact NE-O 3.1Å; R52-V237 PolarHBondContact NH2-O 3.09Å; R52-D239 IonicContact CZ-OD1 2.83Å; R52-D239 IonicContact NH1-OD1 2.87Å; R52-D239 PolarHBondContact NH1-OD1 2.93Å; R52-D239 IonicContact NH1-OD2 3.52Å; R52-D239 IonicContact NH2-OD1 2.72Å |
| 53 | N | 94.6 | Very high | 86.4 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 178.5 | -68.7 | -18.8 | 0 | 0 | 0 | 111.3 | W49 L51 L55 A56 F57 F184 D239 | W49-N53 WeakPolarHBondContact O-CB 3.29Å; W49-N53 PolarHBondContact O-N 3.4Å; W49-N53 PolarHBondContact O-ND2 2.88Å; L51-N53 PolarHBondContact O-N 3.26Å; N53-L55 PolarHBondContact O-N 2.9Å; N53-A56 PolarHBondContact O-N 3.28Å; N53-F57 VanDerWaalsContact O-CD2 3.31Å; N53-F57 WeakPolarHBondContact O-CD2 2.93Å; N53-F57 PolarHBondContact O-N 3Å; N53-F184 HydrophobicContact CB-CD1 4.08Å; N53-F184 HydrophobicContact CB-CE1 4.41Å; N53-F184 WeakPolarHBondContact ND2-CD1 3.27Å; N53-D239 WeakPolarHBondContact OD1-CA 3.36Å; N53-D239 WeakPolarHBondContact OD1-CB 3.4Å; N53-D239 PolarHBondContact OD1-N 2.87Å; N53-D239 PolarHBondContact OD1-O 2.98Å |
| 54 | Y | 94.7 | Very high | 88.3 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 26% | 0.263 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56 | -50.3 | 173.8 | -173.9 | -82.2 | 0 | 0 | 0 | 111.5 | K50 L51 A56 F57 W58 A191 | K50-Y54 WeakPolarHBondContact O-CB 3.48Å; K50-Y54 PolarHBondContact O-N 3.02Å; L51-Y54 PolarHBondContact O-N 2.92Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 3.46Å; Y54-F57 PolarHBondContact O-N 3.13Å; Y54-W58 WeakPolarHBondContact O-CB 3.16Å; Y54-W58 PolarHBondContact O-N 3.13Å; Y54-A191 HydrophobicContact CD1-CB 4.09Å; Y54-A191 HydrophobicContact CD2-CB 3.62Å; Y54-A191 HydrophobicContact CE1-CB 4.11Å; Y54-A191 HydrophobicContact CE2-CB 3.64Å; Y54-A191 HydrophobicContact CG-CB 3.84Å; Y54-A191 VanDerWaalsContact O-CB 3.24Å; Y54-A191 WeakPolarHBondContact O-CB 3.04Å |
| 55 | L | 96.5 | Very high | 90.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -39.5 | 178 | -69 | 174 | 0 | 0 | 0 | 112.3 | L51 R52 N53 W58 Y59 | L51-L55 HydrophobicContact CD1-CD1 4.23Å; L51-L55 HydrophobicContact CD1-CG 4.16Å; L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 HydrophobicContact CG-CG 4.46Å; L51-L55 WeakPolarHBondContact O-CB 3.47Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.35Å; R52-L55 PolarHBondContact O-N 3.43Å; N53-L55 PolarHBondContact O-N 2.9Å; L55-W58 PolarHBondContact O-N 3.32Å; L55-Y59 PolarHBondContact O-N 3.21Å |
| 56 | A | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R52 N53 Y54 W58 Y59 F60 V233 V237 L238 | R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 3.48Å; N53-A56 PolarHBondContact O-N 3.28Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 3.46Å; A56-W58 PolarHBondContact O-N 2.93Å; A56-Y59 PolarHBondContact O-N 3.29Å; A56-F60 HydrophobicContact CB-CE2 4Å; A56-F60 HydrophobicContact CB-CZ 3.98Å; A56-F60 WeakPolarHBondContact O-CD1 3.43Å; A56-F60 VanDerWaalsContact O-CD2 3.31Å; A56-F60 WeakPolarHBondContact O-CD2 3.37Å; A56-F60 WeakPolarHBondContact O-CG 3.47Å; A56-F60 PolarHBondContact O-N 2.75Å; A56-V233 HydrophobicContact CB-CG1 3.82Å; A56-V237 HydrophobicContact CB-CG1 4.22Å; A56-L238 HydrophobicContact CB-CB 3.94Å; A56-L238 HydrophobicContact CB-CD1 3.76Å; A56-L238 HydrophobicContact CB-CG 4.48Å |
| 57 | F | 98 | Very high | 93 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 178.2 | -86.1 | -84.2 | 0 | 0 | 0 | 113 | N53 Y54 Y59 F60 G61 M180 V181 F184 C188 A191 W192 L238 | N53-F57 VanDerWaalsContact O-CD2 3.31Å; N53-F57 WeakPolarHBondContact O-CD2 2.93Å; N53-F57 PolarHBondContact O-N 3Å; Y54-F57 PolarHBondContact O-N 3.13Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3Å; F57-F60 HydrophobicContact CD1-CD2 4.1Å; F57-F60 HydrophobicContact CE1-CD2 4.44Å; F57-F60 HydrophobicContact CG-CD2 4.19Å; F57-F60 PolarHBondContact O-N 3.37Å; F57-G61 PolarHBondContact O-N 3.37Å; F57-M180 HydrophobicContact CE1-CB 4.4Å; F57-M180 HydrophobicContact CE1-SD 4.37Å; F57-M180 HydrophobicContact CZ-CB 4.26Å; F57-M180 HydrophobicContact CZ-CG 3.94Å; F57-M180 HydrophobicContact CZ-SD 3.82Å; F57-V181 HydrophobicContact CD1-CG2 3.84Å; F57-V181 HydrophobicContact CE1-CB 4.48Å; F57-V181 HydrophobicContact CE1-CG2 3.42Å; F57-V181 VanDerWaalsContact CE1-CG2 3.42Å; F57-V181 HydrophobicContact CZ-CG2 4.1Å; F57-F184 HydrophobicContact CE2-CB 4.09Å; F57-F184 AromaticContact CE2-CD1 3.88Å; F57-F184 HydrophobicContact CE2-CD1 3.88Å; F57-F184 AromaticContact CE2-CD2 3.66Å; F57-F184 HydrophobicContact CE2-CD2 3.66Å; F57-F184 HydrophobicContact CE2-CE1 4.18Å; F57-F184 AromaticContact CE2-CE2 4Å; F57-F184 HydrophobicContact CE2-CE2 4Å; F57-F184 AromaticContact CE2-CG 3.6Å; F57-F184 HydrophobicContact CE2-CG 3.6Å; F57-F184 HydrophobicContact CE2-CZ 4.23Å; F57-F184 HydrophobicContact CZ-CB 4.43Å; F57-F184 AromaticContact CZ-CD2 3.61Å; F57-F184 HydrophobicContact CZ-CD2 3.61Å; F57-F184 AromaticContact CZ-CE2 3.96Å; F57-F184 HydrophobicContact CZ-CE2 3.96Å; F57-F184 AromaticContact CZ-CG 3.99Å; F57-F184 HydrophobicContact CZ-CG 3.99Å; F57-C188 HydrophobicContact CB-CB 4.21Å; F57-C188 HydrophobicContact CD1-CB 4.23Å; F57-C188 HydrophobicContact CD2-CB 3.58Å; F57-C188 HydrophobicContact CE2-CB 3.94Å; F57-C188 HydrophobicContact CG-CB 3.74Å; F57-C188 HydrophobicContact CZ-CB 4.4Å; F57-A191 HydrophobicContact CB-CB 3.99Å; F57-W192 HydrophobicContact CB-CB 4.47Å; F57-W192 HydrophobicContact CD1-CB 4.33Å; F57-W192 WeakPolarHBondContact O-CA 3.44Å; F57-L238 HydrophobicContact CD2-CD1 4.23Å; F57-L238 HydrophobicContact CE2-CD1 3.91Å |
| 58 | W | 97.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 28% | 0.277 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58 | -47.3 | 171.1 | -175.9 | 88.8 | 0 | 0 | 0 | 111.3 | Y54 L55 A56 G61 L62 A191 C194 G195 A198 | Y54-W58 WeakPolarHBondContact O-CB 3.16Å; Y54-W58 PolarHBondContact O-N 3.13Å; L55-W58 PolarHBondContact O-N 3.32Å; A56-W58 PolarHBondContact O-N 2.93Å; W58-G61 PolarHBondContact O-N 2.9Å; W58-L62 HydrophobicContact CH2-CD1 3.55Å; W58-L62 HydrophobicContact CZ2-CD1 4.24Å; W58-L62 HydrophobicContact CZ3-CD1 3.83Å; W58-L62 PolarHBondContact O-N 3.42Å; W58-L62 VanDerWaalsContact O-N 3.12Å; W58-A191 WeakPolarHBondContact CA-O 3.32Å; W58-A191 HydrophobicContact CB-CB 4.22Å; W58-C194 VanDerWaalsContact CD1-SG 3.59Å; W58-C194 PolarHBondContact NE1-SG 3.1Å; W58-C194 VanDerWaalsContact NE1-SG 3.36Å; W58-G195 VanDerWaalsContact O-CA 3.25Å; W58-G195 WeakPolarHBondContact O-CA 3.14Å; W58-A198 HydrophobicContact CZ2-CB 4.09Å |
| 59 | Y | 98 | Very high | 94.2 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 18% | 0.18 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 177.7 | -164.8 | -86.5 | 0 | 0 | 0 | 112.5 | L55 A56 F57 G61 L62 G63 T229 T230 V233 | L55-Y59 PolarHBondContact O-N 3.21Å; A56-Y59 PolarHBondContact O-N 3.29Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-Y59 PolarHBondContact O-N 3Å; Y59-G61 VanDerWaalsContact C-N 3.28Å; Y59-G61 PolarHBondContact O-N 3.29Å; Y59-L62 HydrophobicContact CE2-CD2 4.4Å; Y59-L62 PolarHBondContact O-N 3.11Å; Y59-G63 PolarHBondContact O-N 3.47Å; Y59-T229 WeakPolarHBondContact OH-CB 3.41Å; Y59-T229 PolarHBondContact OH-OG1 3.02Å; Y59-T230 WeakPolarHBondContact CE1-OG1 3.33Å; Y59-V233 HydrophobicContact CD1-CB 4.21Å; Y59-V233 HydrophobicContact CD1-CG1 4.46Å; Y59-V233 HydrophobicContact CD1-CG2 3.78Å; Y59-V233 HydrophobicContact CE1-CG2 4.33Å; Y59-V233 HydrophobicContact CG-CG2 3.97Å |
| 60 | F | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.1 | -60.7 | -29 | 0 | 0 | 0 | 111.3 | A56 F57 L62 G63 N64 F177 W192 T230 V233 Y234 L238 | A56-F60 HydrophobicContact CB-CE2 4Å; A56-F60 HydrophobicContact CB-CZ 3.98Å; A56-F60 WeakPolarHBondContact O-CD1 3.43Å; A56-F60 VanDerWaalsContact O-CD2 3.31Å; A56-F60 WeakPolarHBondContact O-CD2 3.37Å; A56-F60 WeakPolarHBondContact O-CG 3.47Å; A56-F60 PolarHBondContact O-N 2.75Å; F57-F60 HydrophobicContact CD1-CD2 4.1Å; F57-F60 HydrophobicContact CE1-CD2 4.44Å; F57-F60 HydrophobicContact CG-CD2 4.19Å; F57-F60 PolarHBondContact O-N 3.37Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 2.86Å; F60-G63 PolarHBondContact O-N 2.96Å; F60-N64 WeakPolarHBondContact O-CB 3.31Å; F60-N64 PolarHBondContact O-N 2.95Å; F60-F177 HydrophobicContact CB-CD1 3.74Å; F60-F177 HydrophobicContact CB-CD2 4.13Å; F60-F177 HydrophobicContact CB-CE1 3.78Å; F60-F177 HydrophobicContact CB-CE2 4.17Å; F60-F177 HydrophobicContact CB-CG 3.92Å; F60-F177 HydrophobicContact CB-CZ 4Å; F60-F177 HydrophobicContact CD1-CD1 4.35Å; F60-F177 AromaticContact CD1-CE1 3.64Å; F60-F177 HydrophobicContact CD1-CE1 3.64Å; F60-F177 AromaticContact CD1-CZ 3.92Å; F60-F177 HydrophobicContact CD1-CZ 3.92Å; F60-F177 AromaticContact CD2-CD1 3.47Å; F60-F177 HydrophobicContact CD2-CD1 3.47Å; F60-F177 VanDerWaalsContact CD2-CD1 3.47Å; F60-F177 AromaticContact CD2-CE1 3.53Å; F60-F177 HydrophobicContact CD2-CE1 3.53Å; F60-F177 HydrophobicContact CD2-CG 4.39Å; F60-F177 HydrophobicContact CD2-CZ 4.48Å; F60-F177 HydrophobicContact CE1-CE1 4.06Å; F60-F177 HydrophobicContact CE2-CD1 4.14Å; F60-F177 AromaticContact CE2-CE1 3.97Å; F60-F177 HydrophobicContact CE2-CE1 3.97Å; F60-F177 AromaticContact CG-CD1 3.62Å; F60-F177 HydrophobicContact CG-CD1 3.62Å; F60-F177 AromaticContact CG-CE1 3.37Å; F60-F177 HydrophobicContact CG-CE1 3.37Å; F60-F177 HydrophobicContact CG-CG 4.32Å; F60-F177 AromaticContact CG-CZ 3.9Å; F60-F177 HydrophobicContact CG-CZ 3.9Å; F60-F177 HydrophobicContact CZ-CE1 4.22Å; F60-W192 HydrophobicContact CB-CE3 3.83Å; F60-W192 HydrophobicContact CB-CZ3 3.71Å; F60-W192 VanDerWaalsContact O-CZ3 3.27Å; F60-W192 WeakPolarHBondContact O-CZ3 3.47Å; F60-T230 HydrophobicContact CD1-CG2 4.09Å; F60-V233 HydrophobicContact CD1-CG1 4.21Å; F60-V233 HydrophobicContact CE1-CB 4.12Å; F60-V233 HydrophobicContact CE1-CG1 3.59Å; F60-V233 HydrophobicContact CZ-CG1 4.09Å; F60-Y234 HydrophobicContact CZ-CD2 4.19Å; F60-L238 HydrophobicContact CE2-CD1 4.01Å; F60-L238 HydrophobicContact CE2-CD2 3.98Å; F60-L238 HydrophobicContact CE2-CG 4.41Å; F60-L238 HydrophobicContact CZ-CB 4.13Å; F60-L238 HydrophobicContact CZ-CD1 4.43Å; F60-L238 HydrophobicContact CZ-CD2 4.03Å; F60-L238 HydrophobicContact CZ-CG 4.43Å |
| 61 | G | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F57 W58 Y59 W192 G195 T196 | F57-G61 PolarHBondContact O-N 3.37Å; W58-G61 PolarHBondContact O-N 2.9Å; Y59-G61 VanDerWaalsContact C-N 3.28Å; Y59-G61 PolarHBondContact O-N 3.29Å; G61-W192 VanDerWaalsContact CA-CZ3 3.45Å; G61-W192 VanDerWaalsContact N-CZ3 3.3Å; G61-G195 VanDerWaalsContact C-C 3.43Å; G61-T196 WeakPolarHBondContact O-CA 3.18Å; G61-T196 WeakPolarHBondContact O-CG2 3.38Å |
| 62 | L | 96.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.1 | -55.5 | 175.9 | -176.7 | 155.4 | 0 | 0 | 0 | 111.4 | W58 Y59 F60 F66 G195 I202 V226 | W58-L62 HydrophobicContact CH2-CD1 3.55Å; W58-L62 HydrophobicContact CZ2-CD1 4.24Å; W58-L62 HydrophobicContact CZ3-CD1 3.83Å; W58-L62 PolarHBondContact O-N 3.42Å; W58-L62 VanDerWaalsContact O-N 3.12Å; Y59-L62 HydrophobicContact CE2-CD2 4.4Å; Y59-L62 PolarHBondContact O-N 3.11Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 2.86Å; L62-F66 HydrophobicContact CD2-CD2 3.9Å; L62-F66 HydrophobicContact CD2-CE2 4.39Å; L62-F66 WeakPolarHBondContact O-CB 3.48Å; L62-F66 PolarHBondContact O-N 3.01Å; L62-F66 VanDerWaalsContact O-N 3.13Å; L62-G195 WeakPolarHBondContact CA-O 3.3Å; L62-G195 PolarHBondContact N-O 3.15Å; L62-I202 HydrophobicContact CD1-CD1 3.77Å; L62-V226 HydrophobicContact CD2-CG1 4.37Å |
| 63 | G | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.3 | -34.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y59 F60 F66 | Y59-G63 PolarHBondContact O-N 3.47Å; F60-G63 PolarHBondContact O-N 2.96Å; G63-F66 WeakPolarHBondContact O-CB 3.21Å; G63-F66 PolarHBondContact O-N 3.35Å |
| 64 | N | 97.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 178.7 | -174.9 | 59.8 | 0 | 0 | 0 | 112.4 | F60 F66 S170 G173 D174 F177 W192 | F60-N64 WeakPolarHBondContact O-CB 3.31Å; F60-N64 PolarHBondContact O-N 2.95Å; N64-F66 VanDerWaalsContact C-N 3.29Å; N64-S170 PolarHBondContact ND2-O 3.23Å; N64-G173 WeakPolarHBondContact OD1-CA 3.27Å; N64-D174 PolarHBondContact ND2-N 3.48Å; N64-D174 PolarHBondContact ND2-OD1 3.38Å; N64-F177 HydrophobicContact CB-CD2 4.34Å; N64-F177 HydrophobicContact CB-CE2 4.28Å; N64-W192 HydrophobicContact CB-CH2 3.68Å; N64-W192 HydrophobicContact CB-CZ3 4.14Å |
| 65 | N | 93.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 20 Ų | 20 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -86 | -6.8 | -176.5 | -67.8 | 19.5 | 0 | 0 | 0 | 112 | Y68 V69 D174 T196 A199 | N65-Y68 WeakPolarHBondContact O-CB 3.31Å; N65-Y68 PolarHBondContact O-N 3.48Å; N65-V69 WeakPolarHBondContact O-CG2 3.37Å; N65-V69 PolarHBondContact O-N 3.1Å; N65-V69 VanDerWaalsContact O-N 3.08Å; N65-D174 PolarHBondContact OD1-OD1 2.84Å; N65-T196 WeakPolarHBondContact ND2-CG2 3.39Å; N65-A199 HydrophobicContact CB-CB 3.81Å |
| 66 | F | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | -176.7 | -154.1 | -96.1 | 0 | 0 | 0 | 112.2 | L62 G63 N64 Y68 V69 I70 I202 Y206 V223 V226 | L62-F66 HydrophobicContact CD2-CD2 3.9Å; L62-F66 HydrophobicContact CD2-CE2 4.39Å; L62-F66 WeakPolarHBondContact O-CB 3.48Å; L62-F66 PolarHBondContact O-N 3.01Å; L62-F66 VanDerWaalsContact O-N 3.13Å; G63-F66 WeakPolarHBondContact O-CB 3.21Å; G63-F66 PolarHBondContact O-N 3.35Å; N64-F66 VanDerWaalsContact C-N 3.29Å; F66-Y68 VanDerWaalsContact C-N 3.3Å; F66-Y68 PolarHBondContact O-N 2.66Å; F66-V69 PolarHBondContact O-N 2.96Å; F66-I70 HydrophobicContact CD1-CD1 4.26Å; F66-I70 HydrophobicContact CD1-CG1 3.59Å; F66-I70 HydrophobicContact CE1-CD1 3.66Å; F66-I70 HydrophobicContact CE1-CG1 3.5Å; F66-I70 HydrophobicContact CG-CG1 4.46Å; F66-I70 HydrophobicContact CZ-CD1 4.1Å; F66-I70 HydrophobicContact CZ-CG1 4.32Å; F66-I70 VanDerWaalsContact O-CG1 3.23Å; F66-I70 WeakPolarHBondContact O-CG1 3.48Å; F66-I70 PolarHBondContact O-N 3.23Å; F66-I202 HydrophobicContact CE2-CG2 4.24Å; F66-Y206 HydrophobicContact CE1-CD1 4.17Å; F66-Y206 AromaticContact CZ-CD1 3.75Å; F66-Y206 HydrophobicContact CZ-CD1 3.75Å; F66-Y206 HydrophobicContact CZ-CE1 4.45Å; F66-Y206 HydrophobicContact CZ-CG 4.08Å; F66-V223 HydrophobicContact CD1-CG1 3.9Å; F66-V223 HydrophobicContact CE1-CG1 3.7Å; F66-V223 HydrophobicContact CE1-CG2 4.38Å; F66-V226 HydrophobicContact CB-CG1 3.87Å; F66-V226 HydrophobicContact CD1-CB 4.04Å; F66-V226 HydrophobicContact CD1-CG1 3.88Å; F66-V226 HydrophobicContact CD1-CG2 3.95Å; F66-V226 HydrophobicContact CD2-CG1 4.23Å; F66-V226 HydrophobicContact CE1-CB 4.37Å; F66-V226 HydrophobicContact CE1-CG1 4.5Å; F66-V226 HydrophobicContact CE1-CG2 3.77Å; F66-V226 HydrophobicContact CG-CB 4.4Å; F66-V226 HydrophobicContact CG-CG1 3.73Å; F66-V226 HydrophobicContact CG-CG2 4.46Å; F66-V226 HydrophobicContact CZ-CG2 4.12Å |
| 67 | S | 93.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | -180 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | I70 M71 A143 F147 | S67-I70 PolarHBondContact O-N 2.88Å; S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.4Å; S67-M71 PolarHBondContact O-N 2.87Å; S67-A143 WeakPolarHBondContact OG-CB 3.47Å; S67-F147 VanDerWaalsContact CA-CZ 3.49Å; S67-F147 VanDerWaalsContact OG-CE2 3.26Å; S67-F147 WeakPolarHBondContact OG-CE2 3.44Å; S67-F147 WeakPolarHBondContact OG-CZ 3.34Å |
| 68 | Y | 90.3 | Very high | 90 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 13% | 0.125 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.7 | -52.9 | 174.1 | 171.1 | -97.1 | 0 | 0 | 0 | 111.7 | N65 F66 I70 M71 L72 D112 I113 | N65-Y68 WeakPolarHBondContact O-CB 3.31Å; N65-Y68 PolarHBondContact O-N 3.48Å; F66-Y68 VanDerWaalsContact C-N 3.3Å; F66-Y68 PolarHBondContact O-N 2.66Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.01Å; Y68-M71 PolarHBondContact O-N 3.38Å; Y68-M71 VanDerWaalsContact O-N 3.16Å; Y68-L72 HydrophobicContact CD1-CD1 4.2Å; Y68-L72 HydrophobicContact CE1-CD1 3.54Å; Y68-L72 HydrophobicContact CE2-CD1 4.22Å; Y68-L72 PolarHBondContact O-N 3.21Å; Y68-D112 VanDerWaalsContact CD2-CG 3.46Å; Y68-D112 WeakPolarHBondContact CD2-OD2 3.43Å; Y68-D112 HydrophobicContact CE2-CB 4.39Å; Y68-D112 WeakPolarHBondContact CE2-OD2 3.38Å; Y68-I113 HydrophobicContact CE2-CD1 3.93Å; Y68-I113 HydrophobicContact CE2-CG1 4.01Å |
| 69 | V | 91.1 | Very high | 88.9 | Confident | 17 Ų | 17 | 20.2 Ų | 20.2 | 10% | 0.103 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -179.6 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | N65 F66 S73 | N65-V69 WeakPolarHBondContact O-CG2 3.37Å; N65-V69 PolarHBondContact O-N 3.1Å; N65-V69 VanDerWaalsContact O-N 3.08Å; F66-V69 PolarHBondContact O-N 2.96Å; V69-S73 WeakPolarHBondContact O-CB 3.24Å; V69-S73 PolarHBondContact O-N 3.34Å; V69-S73 PolarHBondContact O-OG 3.41Å |
| 70 | I | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 177.7 | -64.8 | -67.9 | 0 | 0 | 0 | 111.1 | F66 S67 Y68 S73 A74 F147 G203 Y207 L220 V223 | F66-I70 HydrophobicContact CD1-CD1 4.26Å; F66-I70 HydrophobicContact CD1-CG1 3.59Å; F66-I70 HydrophobicContact CE1-CD1 3.66Å; F66-I70 HydrophobicContact CE1-CG1 3.5Å; F66-I70 HydrophobicContact CG-CG1 4.46Å; F66-I70 HydrophobicContact CZ-CD1 4.1Å; F66-I70 HydrophobicContact CZ-CG1 4.32Å; F66-I70 VanDerWaalsContact O-CG1 3.23Å; F66-I70 WeakPolarHBondContact O-CG1 3.48Å; F66-I70 PolarHBondContact O-N 3.23Å; S67-I70 PolarHBondContact O-N 2.88Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.01Å; I70-S73 PolarHBondContact O-N 2.91Å; I70-A74 WeakPolarHBondContact O-CB 3.24Å; I70-A74 PolarHBondContact O-N 3.33Å; I70-F147 HydrophobicContact CB-CE1 3.98Å; I70-F147 HydrophobicContact CB-CZ 4.49Å; I70-F147 HydrophobicContact CG2-CD1 4.47Å; I70-F147 HydrophobicContact CG2-CE1 3.78Å; I70-G203 VanDerWaalsContact CD1-O 3.27Å; I70-G203 WeakPolarHBondContact CD1-O 3.41Å; I70-Y207 HydrophobicContact CD1-CD2 4.34Å; I70-Y207 HydrophobicContact CD1-CG 4.46Å; I70-Y207 HydrophobicContact CG2-CD2 4.08Å; I70-L220 HydrophobicContact CG2-CD2 3.56Å; I70-V223 HydrophobicContact CD1-CG2 4.39Å; I70-V223 HydrophobicContact CG1-CG1 4.14Å; I70-V223 HydrophobicContact CG2-CG1 4.48Å |
| 71 | M | 90.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.5 | -70.9 | -56.4 | 97 | 0 | 0 | 112 | S67 Y68 A74 A75 F147 V150 I163 A166 L220 | S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.4Å; S67-M71 PolarHBondContact O-N 2.87Å; Y68-M71 PolarHBondContact O-N 3.38Å; Y68-M71 VanDerWaalsContact O-N 3.16Å; M71-A74 PolarHBondContact O-N 3.02Å; M71-A75 PolarHBondContact O-N 3.38Å; M71-F147 HydrophobicContact CE-CD1 3.61Å; M71-F147 HydrophobicContact CE-CE1 3.75Å; M71-V150 HydrophobicContact SD-CB 4.48Å; M71-V150 HydrophobicContact SD-CG2 3.78Å; M71-I163 HydrophobicContact CG-CG1 4.47Å; M71-I163 HydrophobicContact SD-CG1 4.12Å; M71-A166 HydrophobicContact CG-CB 3.57Å; M71-L220 HydrophobicContact CE-CD2 3.71Å |
| 72 | L | 85 | Confident | 85.7 | Confident | 55 Ų | 55 | 29.1 Ų | 29.1 | 29% | 0.288 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 172.8 | -69.9 | 179.2 | 0 | 0 | 0 | 112.3 | Y68 A74 A75 L109 D112 | Y68-L72 HydrophobicContact CD1-CD1 4.2Å; Y68-L72 HydrophobicContact CE1-CD1 3.54Å; Y68-L72 HydrophobicContact CE2-CD1 4.22Å; Y68-L72 PolarHBondContact O-N 3.21Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.11Å; L72-A75 VanDerWaalsContact O-CB 3.3Å; L72-A75 WeakPolarHBondContact O-CB 3.49Å; L72-A75 PolarHBondContact O-N 3.21Å; L72-L109 HydrophobicContact CD2-CD2 3.63Å; L72-D112 VanDerWaalsContact CD2-OD2 3.23Å; L72-D112 WeakPolarHBondContact CD2-OD2 3.35Å; L72-D112 VanDerWaalsContact CG-OD2 3.28Å; L72-D112 WeakPolarHBondContact CG-OD2 3.19Å |
| 73 | S | 84.7 | Confident | 84.3 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -35.8 | 179.6 | -56.4 | 0 | 0 | 0 | 0 | 112 | V69 I70 | V69-S73 WeakPolarHBondContact O-CB 3.24Å; V69-S73 PolarHBondContact O-N 3.34Å; V69-S73 PolarHBondContact O-OG 3.41Å; I70-S73 PolarHBondContact O-N 2.91Å |
| 74 | A | 85.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82.4 | -9.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I70 M71 L72 V76 D77 I78 Y207 | I70-A74 WeakPolarHBondContact O-CB 3.24Å; I70-A74 PolarHBondContact O-N 3.33Å; M71-A74 PolarHBondContact O-N 3.02Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.11Å; A74-V76 VanDerWaalsContact C-N 3.31Å; A74-V76 PolarHBondContact O-N 3.43Å; A74-D77 PolarHBondContact O-N 2.98Å; A74-I78 HydrophobicContact CB-CD1 4.12Å; A74-I78 HydrophobicContact CB-CG1 4.44Å; A74-I78 VanDerWaalsContact O-CG1 3.3Å; A74-I78 WeakPolarHBondContact O-CG1 3.48Å; A74-I78 PolarHBondContact O-N 2.84Å; A74-Y207 WeakPolarHBondContact CA-OH 3.45Å; A74-Y207 HydrophobicContact CB-CE1 4.29Å; A74-Y207 HydrophobicContact CB-CE2 3.8Å; A74-Y207 WeakPolarHBondContact CB-OH 3.41Å |
| 75 | A | 81.6 | Confident | 80.4 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M71 L72 D77 I78 I79 V108 | M71-A75 PolarHBondContact O-N 3.38Å; L72-A75 VanDerWaalsContact O-CB 3.3Å; L72-A75 WeakPolarHBondContact O-CB 3.49Å; L72-A75 PolarHBondContact O-N 3.21Å; A75-D77 PolarHBondContact O-N 3.45Å; A75-I78 PolarHBondContact O-N 3.22Å; A75-I79 VanDerWaalsContact O-CG1 3.28Å; A75-I79 WeakPolarHBondContact O-CG1 3.34Å; A75-I79 PolarHBondContact O-N 3.33Å; A75-V108 HydrophobicContact CB-CG1 3.84Å |
| 76 | V | 74.6 | Confident | 78.2 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 46% | 0.461 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 179 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | A74 I79 R80 | A74-V76 VanDerWaalsContact C-N 3.31Å; A74-V76 PolarHBondContact O-N 3.43Å; V76-I79 PolarHBondContact O-N 2.98Å; V76-R80 HydrophobicContact CG1-CG 4.39Å; V76-R80 WeakPolarHBondContact O-CB 3.2Å; V76-R80 VanDerWaalsContact O-CG 3.31Å; V76-R80 WeakPolarHBondContact O-CG 3.38Å; V76-R80 PolarHBondContact O-N 3.24Å |
| 77 | D | 77.9 | Confident | 76.2 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 179.8 | -66.9 | -24.8 | 0 | 0 | 0 | 111.3 | A74 A75 R80 K81 Y207 P216 | A74-D77 PolarHBondContact O-N 2.98Å; A75-D77 PolarHBondContact O-N 3.45Å; D77-R80 PolarHBondContact O-N 2.96Å; D77-K81 VanDerWaalsContact O-CB 3.24Å; D77-K81 WeakPolarHBondContact O-CB 3.32Å; D77-K81 PolarHBondContact O-N 2.56Å; D77-Y207 PolarHBondContact OD2-OH 3.49Å; D77-Y207 VanDerWaalsContact OD2-OH 3.05Å; D77-P216 HydrophobicContact CB-CG 4.24Å |
| 78 | I | 75.7 | Confident | 73.9 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 172.7 | -65 | 165.2 | 0 | 0 | 0 | 110.7 | A74 A75 H82 V150 I163 | A74-I78 HydrophobicContact CB-CD1 4.12Å; A74-I78 HydrophobicContact CB-CG1 4.44Å; A74-I78 VanDerWaalsContact O-CG1 3.3Å; A74-I78 WeakPolarHBondContact O-CG1 3.48Å; A74-I78 PolarHBondContact O-N 2.84Å; A75-I78 PolarHBondContact O-N 3.22Å; I78-H82 PolarHBondContact O-ND1 3.49Å; I78-V150 HydrophobicContact CD1-CG1 3.53Å; I78-V150 HydrophobicContact CG1-CG1 3.71Å; I78-I163 HydrophobicContact CD1-CD1 4.24Å |
| 79 | I | 73.9 | Confident | 72 | Confident | 31 Ų | 31 | 70 Ų | 70 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 179 | -68.9 | 166.2 | 0 | 0 | 0 | 110.1 | A75 V76 K81 H82 Q83 V108 | A75-I79 VanDerWaalsContact O-CG1 3.28Å; A75-I79 WeakPolarHBondContact O-CG1 3.34Å; A75-I79 PolarHBondContact O-N 3.33Å; V76-I79 PolarHBondContact O-N 2.98Å; I79-K81 VanDerWaalsContact C-N 3.35Å; I79-K81 PolarHBondContact O-N 2.84Å; I79-H82 PolarHBondContact O-N 3.42Å; I79-Q83 HydrophobicContact CG2-CG 4.01Å; I79-Q83 WeakPolarHBondContact O-CB 3.47Å; I79-Q83 WeakPolarHBondContact O-CG 3.35Å; I79-Q83 PolarHBondContact O-N 3.35Å; I79-V108 HydrophobicContact CD1-CG2 4.24Å |
| 80 | R | 74.7 | Confident | 69.6 | Low | 138 Ų | 138 | 74.3 Ų | 74.3 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.8 | -76.8 | 177.3 | 179.8 | 165.5 | -0.2 | 112.6 | V76 D77 H82 Q83 H84 | V76-R80 HydrophobicContact CG1-CG 4.39Å; V76-R80 WeakPolarHBondContact O-CB 3.2Å; V76-R80 VanDerWaalsContact O-CG 3.31Å; V76-R80 WeakPolarHBondContact O-CG 3.38Å; V76-R80 PolarHBondContact O-N 3.24Å; D77-R80 PolarHBondContact O-N 2.96Å; R80-H82 PolarHBondContact O-N 3.09Å; R80-Q83 PolarHBondContact O-N 2.87Å; R80-H84 PolarHBondContact O-CD2 3.2Å; R80-H84 PolarHBondContact O-N 3.43Å |
| 81 | K | 77.1 | Confident | 67 | Low | 70 Ų | 70 | 80.3 Ų | 80.3 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -53.3 | -37.8 | 177.2 | -180 | 172.2 | 179.1 | 166.5 | 0 | 112 | D77 I79 S85 E217 | D77-K81 VanDerWaalsContact O-CB 3.24Å; D77-K81 WeakPolarHBondContact O-CB 3.32Å; D77-K81 PolarHBondContact O-N 2.56Å; I79-K81 VanDerWaalsContact C-N 3.35Å; I79-K81 PolarHBondContact O-N 2.84Å; K81-S85 PolarHBondContact O-OG 2.87Å; K81-S85 VanDerWaalsContact O-OG 3.04Å; K81-E217 IonicContact NZ-OE1 3.8Å; K81-E217 PolarHBondContact NZ-OE1 3.48Å |
| 82 | H | 74.8 | Confident | 64.6 | Low | 25 Ų | 25 | 87.1 Ų | 87.1 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -94.9 | -25.7 | -179 | -60.1 | 92.6 | 0 | 0 | 0 | 113.6 | I78 I79 R80 S85 Q86 S155 F156 S159 | I78-H82 PolarHBondContact O-ND1 3.49Å; I79-H82 PolarHBondContact O-N 3.42Å; R80-H82 PolarHBondContact O-N 3.09Å; H82-S85 PolarHBondContact O-N 3.01Å; H82-Q86 WeakPolarHBondContact O-CG 3.4Å; H82-S155 PolarHBondContact NE2-O 2.92Å; H82-F156 HydrophobicContact CB-CB 4.43Å; H82-F156 PolarHBondContact CD2-N 2.97Å; H82-F156 VanDerWaalsContact CD2-N 3.32Å; H82-F156 PolarHBondContact NE2-N 2.78Å; H82-S159 PolarHBondContact CE1-OG 2.92Å |
| 83 | Q | 67.7 | Low | 62.3 | Low | 101 Ų | 101 | 92 Ų | 92 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 172.7 | -79.5 | -176.7 | -28.6 | 0 | 0 | 112.1 | I79 R80 S85 Q86 I87 | I79-Q83 HydrophobicContact CG2-CG 4.01Å; I79-Q83 WeakPolarHBondContact O-CB 3.47Å; I79-Q83 WeakPolarHBondContact O-CG 3.35Å; I79-Q83 PolarHBondContact O-N 3.35Å; R80-Q83 PolarHBondContact O-N 2.87Å; Q83-S85 PolarHBondContact O-N 3.19Å; Q83-Q86 PolarHBondContact O-N 3.29Å; Q83-I87 HydrophobicContact CB-CD1 4.14Å; Q83-I87 WeakPolarHBondContact O-CB 3.38Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3.4Å |
| 84 | H | 58.3 | Low | 59.9 | Low | 134 Ų | 134 | 96 Ų | 96 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -31.6 | 174.8 | -85 | -79 | 0 | 0 | 0 | 112.3 | R80 Q86 | R80-H84 PolarHBondContact O-CD2 3.2Å; R80-H84 PolarHBondContact O-N 3.43Å; H84-Q86 PolarHBondContact O-N 3.4Å |
| 85 | S | 53.3 | Low | 57.4 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.3 | -17.2 | 172.2 | -46.8 | 0 | 0 | 0 | 0 | 113.9 | K81 H82 Q83 | K81-S85 PolarHBondContact O-OG 2.87Å; K81-S85 VanDerWaalsContact O-OG 3.04Å; H82-S85 PolarHBondContact O-N 3.01Å; Q83-S85 PolarHBondContact O-N 3.19Å |
| 86 | Q | 48.8 | Very low | 55.2 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -102.5 | -34.3 | 178.6 | -66.8 | -92.2 | -32.2 | 0 | 0 | 112.2 | H82 Q83 H84 E88 F89 | H82-Q86 WeakPolarHBondContact O-CG 3.4Å; Q83-Q86 PolarHBondContact O-N 3.29Å; H84-Q86 PolarHBondContact O-N 3.4Å; Q86-E88 PolarHBondContact O-N 3.14Å; Q86-F89 PolarHBondContact O-N 3.45Å |
| 87 | I | 49.8 | Very low | 53.4 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.8 | -9 | -173.2 | -64.8 | 167.9 | 0 | 0 | 0 | 113.2 | Q83 F89 T90 | Q83-I87 HydrophobicContact CB-CD1 4.14Å; Q83-I87 WeakPolarHBondContact O-CB 3.38Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3.4Å; I87-F89 PolarHBondContact O-N 3.05Å; I87-T90 PolarHBondContact O-N 3.47Å; I87-T90 VanDerWaalsContact O-N 3.13Å |
| 88 | E | 45.1 | Very low | 51.9 | Low | 182 Ų | 182 | 114.7 Ų | 114.7 | 85% | 0.85 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -6.9 | 162.4 | -80.5 | -170.3 | 168.6 | 0 | 0 | 113.3 | Q86 | Q86-E88 PolarHBondContact O-N 3.14Š|
| 89 | F | 50.3 | Low | 50.6 | Low | 193 Ų | 193 | 119.5 Ų | 119.5 | 85% | 0.846 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -6.9 | 173.5 | -94.7 | -85 | 0 | 0 | 0 | 117.6 | Q86 I87 | Q86-F89 PolarHBondContact O-N 3.45Å; I87-F89 PolarHBondContact O-N 3.05Å |
| 90 | T | 41.7 | Very low | 49.6 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | trans | -144.9 | 102 | -179.6 | 43.2 | 0 | 0 | 0 | 0 | 114 | I87 | I87-T90 PolarHBondContact O-N 3.47Å; I87-T90 VanDerWaalsContact O-N 3.13Å | ||
| 91 | T | 36.5 | Very low | 48.6 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | trans | -74.3 | 149.7 | 168 | 43.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 92 | N | 39.2 | Very low | 47.3 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 78% | 0.781 | 62% | 0.616 | S | S | * | * | trans | 76.9 | 102.6 | 159.9 | -58 | -18.6 | 0 | 0 | 0 | 117.3 | ||||
| 93 | I | 38.5 | Very low | 46 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | -175.5 | 116.5 | 114.6 | -83.6 | 147.1 | 0 | 0 | 0 | 107.6 | T95 | I93-T95 HydrophobicContact CG2-CG2 4.38Š| |||
| 94 | S | 33 | Very low | 45 | Very low | 123 Ų | 123 | 121 Ų | 121 | 86% | 0.86 | 64% | 0.638 | S | S | * | * | trans | -93.7 | 97.8 | 171.2 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 95 | T | 32.3 | Very low | 45.1 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | trans | -117.8 | 124.5 | 159 | 39 | 0 | 0 | 0 | 0 | 108.1 | I93 H97 | I93-T95 HydrophobicContact CG2-CG2 4.38Å; T95-H97 PolarHBondContact O-N 3.47Å; T95-H97 PolarHBondContact OG1-CD2 2.65Å | ||
| 96 | Y | 35.7 | Very low | 45.5 | Very low | 231 Ų | 231 | 113.9 Ų | 113.9 | 91% | 0.906 | 60% | 0.602 | S | S | * | * | trans | -70.5 | 78 | 173.2 | -164.4 | -91.2 | 0 | 0 | 0 | 107.7 | ||||
| 97 | H | 37 | Very low | 46.2 | Very low | 130 Ų | 130 | 110 Ų | 110 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | trans | -69.7 | 142.1 | 160.7 | -79.5 | -89.1 | 0 | 0 | 0 | 106.8 | T95 N99 | T95-H97 PolarHBondContact O-N 3.47Å; T95-H97 PolarHBondContact OG1-CD2 2.65Å; H97-N99 PolarHBondContact O-N 3.11Å | ||
| 98 | I | 45.5 | Very low | 47.2 | Very low | 78 Ų | 78 | 106 Ų | 106 | 40% | 0.4 | 57% | 0.572 | S | S | . | * | trans | -36.4 | 123.1 | 149.5 | -63.1 | 166.9 | 0 | 0 | 0 | 105.1 | C100 L360 T494 | I98-C100 PolarHBondContact O-N 3.32Å; I98-L360 HydrophobicContact CG2-CD2 4.22Å; I98-T494 HydrophobicContact CD1-CG2 4.05Å | ||
| 99 | N | 49.1 | Very low | 48.6 | Very low | 112 Ų | 112 | 98.8 Ų | 98.8 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | trans | -67.1 | 64.2 | -175.7 | -86.3 | -17.2 | 0 | 0 | 0 | 109.4 | H97 T101 E359 | H97-N99 PolarHBondContact O-N 3.11Å; N99-T101 HydrophobicContact CB-CG2 4.37Å; N99-T101 PolarHBondContact O-N 3.01Å; N99-E359 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 100 | C | 53.8 | Low | 50.1 | Low | 40 Ų | 40 | 91 Ų | 91 | 27% | 0.27 | 51% | 0.506 | S | S | . | . | trans | -69.1 | 78.3 | 163.9 | -53.1 | 0 | 0 | 0 | 0 | 104.4 | I98 E102 C490 | I98-C100 PolarHBondContact O-N 3.32Å; C100-E102 PolarHBondContact O-N 2.99Å; C100-C490 HydrophobicContact CB-CB 4.12Å; C100-C490 WeakPolarHBondContact CB-SG 3.32Å; C100-C490 WeakPolarHBondContact SG-CB 3.41Å; C100-C490 CovalentContact SG-SG 2.06Å; C100-C490 PolarHBondContact SG-SG 2.95Å | ||
| 101 | T | 53.5 | Low | 52.2 | Low | 70 Ų | 70 | 86.8 Ų | 86.8 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | trans | -70.8 | 86.4 | 174.1 | 56.4 | 0 | 0 | 0 | 0 | 107 | N99 I103 T105 | N99-T101 HydrophobicContact CB-CG2 4.37Å; N99-T101 PolarHBondContact O-N 3.01Å; T101-I103 PolarHBondContact O-N 2.88Å; T101-T105 PolarHBondContact OG1-OG1 3.21Å; T101-T105 VanDerWaalsContact OG1-OG1 3.11Å | ||
| 102 | E | 50.1 | Low | 54.6 | Low | 124 Ų | 124 | 80.9 Ų | 80.9 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | trans | -64.5 | -21.1 | -153.5 | -144.8 | -177.3 | -176.7 | 0 | 0 | 114.4 | C100 | C100-E102 PolarHBondContact O-N 2.99Š| ||
| 103 | I | 46.1 | Very low | 57 | Low | 123 Ų | 123 | 74.6 Ų | 74.6 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -146.8 | -33.4 | -168.2 | -60.3 | 177.9 | 0 | 0 | 0 | 115.3 | T101 | T101-I103 PolarHBondContact O-N 2.88Š|
| 104 | G | 47.9 | Very low | 59.6 | Low | 40 Ų | 40 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V108 | G104-V108 PolarHBondContact O-N 3.38Å |
| 105 | T | 59.1 | Low | 62.5 | Low | 64 Ų | 64 | 64.2 Ų | 64.2 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | -175.6 | -47 | 0 | 0 | 0 | 0 | 111.7 | T101 S107 V108 L109 | T101-T105 PolarHBondContact OG1-OG1 3.21Å; T101-T105 VanDerWaalsContact OG1-OG1 3.11Å; T105-S107 PolarHBondContact O-N 3.38Å; T105-V108 PolarHBondContact O-N 3.49Å; T105-L109 HydrophobicContact CG2-CD1 4.11Å; T105-L109 HydrophobicContact CG2-CG 4.47Å; T105-L109 VanDerWaalsContact O-CG 3.25Å; T105-L109 WeakPolarHBondContact O-CG 2.85Å; T105-L109 PolarHBondContact O-N 2.87Å |
| 106 | G | 62.5 | Low | 65.6 | Low | 11 Ų | 11 | 60.2 Ų | 60.2 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L109 L110 | G106-L109 PolarHBondContact O-N 2.79Å; G106-L110 WeakPolarHBondContact O-CB 3.35Å; G106-L110 VanDerWaalsContact O-CG 3.3Å; G106-L110 WeakPolarHBondContact O-CG 3.2Å; G106-L110 PolarHBondContact O-N 3.2Å |
| 107 | S | 63.4 | Low | 68.4 | Low | 69 Ų | 69 | 51.3 Ų | 51.3 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | T105 L110 A111 | T105-S107 PolarHBondContact O-N 3.38Å; S107-L110 PolarHBondContact O-N 3.5Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.42Å |
| 108 | V | 71 | Confident | 71.2 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | A75 I79 G104 T105 L110 A111 D112 I163 | A75-V108 HydrophobicContact CB-CG1 3.84Å; I79-V108 HydrophobicContact CD1-CG2 4.24Å; G104-V108 PolarHBondContact O-N 3.38Å; T105-V108 PolarHBondContact O-N 3.49Å; V108-L110 PolarHBondContact O-N 3.13Å; V108-A111 PolarHBondContact O-N 2.89Å; V108-D112 WeakPolarHBondContact O-CB 3.23Å; V108-D112 PolarHBondContact O-N 3.36Å; V108-I163 HydrophobicContact CG1-CD1 4.13Å |
| 109 | L | 74.7 | Confident | 73.6 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 174.7 | -70.4 | 168.8 | 0 | 0 | 0 | 111.6 | L72 T105 G106 A111 D112 I113 Q355 | L72-L109 HydrophobicContact CD2-CD2 3.63Å; T105-L109 HydrophobicContact CG2-CD1 4.11Å; T105-L109 HydrophobicContact CG2-CG 4.47Å; T105-L109 VanDerWaalsContact O-CG 3.25Å; T105-L109 WeakPolarHBondContact O-CG 2.85Å; T105-L109 PolarHBondContact O-N 2.87Å; G106-L109 PolarHBondContact O-N 2.79Å; L109-A111 PolarHBondContact O-N 3.42Å; L109-D112 PolarHBondContact O-N 3.45Å; L109-I113 WeakPolarHBondContact O-CD1 3.42Å; L109-I113 PolarHBondContact O-N 3.48Å; L109-Q355 HydrophobicContact CD1-CG 4.39Å |
| 110 | L | 82.6 | Confident | 75.9 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.9 | -71.9 | 173.6 | 0 | 0 | 0 | 112.3 | G106 S107 V108 D112 I113 L114 F480 | G106-L110 WeakPolarHBondContact O-CB 3.35Å; G106-L110 VanDerWaalsContact O-CG 3.3Å; G106-L110 WeakPolarHBondContact O-CG 3.2Å; G106-L110 PolarHBondContact O-N 3.2Å; S107-L110 PolarHBondContact O-N 3.5Å; V108-L110 PolarHBondContact O-N 3.13Å; L110-D112 PolarHBondContact O-N 3.05Å; L110-I113 PolarHBondContact O-N 3.48Å; L110-L114 HydrophobicContact CB-CD1 4.05Å; L110-L114 HydrophobicContact CB-CG 4.49Å; L110-L114 HydrophobicContact CD2-CD1 4.34Å; L110-L114 HydrophobicContact CD2-CG 4.46Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.18Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.06Å; L110-F480 HydrophobicContact CD1-CD1 3.92Å; L110-F480 HydrophobicContact CD1-CE1 3.63Å; L110-F480 HydrophobicContact CD1-CZ 4.23Å; L110-F480 HydrophobicContact CD2-CD1 4.02Å; L110-F480 HydrophobicContact CD2-CD2 4.01Å; L110-F480 HydrophobicContact CD2-CE1 3.88Å; L110-F480 HydrophobicContact CD2-CE2 3.87Å; L110-F480 HydrophobicContact CD2-CG 4.08Å; L110-F480 HydrophobicContact CD2-CZ 3.8Å; L110-F480 HydrophobicContact CG-CE1 4.42Å |
| 111 | A | 85 | Confident | 77.8 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -27.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S107 V108 L109 P115 L160 I163 V164 | S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.42Å; V108-A111 PolarHBondContact O-N 2.89Å; L109-A111 PolarHBondContact O-N 3.42Å; A111-P115 WeakPolarHBondContact O-CD 3.07Å; A111-P115 VanDerWaalsContact O-CG 3.32Å; A111-P115 WeakPolarHBondContact O-CG 3.33Å; A111-L160 HydrophobicContact CB-CD1 3.55Å; A111-I163 HydrophobicContact CB-CG2 4.35Å; A111-V164 HydrophobicContact CB-CG2 4.46Å |
| 112 | D | 86.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.9 | -17.6 | -178.6 | -164.9 | 43.9 | 0 | 0 | 0 | 113.5 | Y68 L72 V108 L109 L110 I163 S167 | Y68-D112 VanDerWaalsContact CD2-CG 3.46Å; Y68-D112 WeakPolarHBondContact CD2-OD2 3.43Å; Y68-D112 HydrophobicContact CE2-CB 4.39Å; Y68-D112 WeakPolarHBondContact CE2-OD2 3.38Å; L72-D112 VanDerWaalsContact CD2-OD2 3.23Å; L72-D112 WeakPolarHBondContact CD2-OD2 3.35Å; L72-D112 VanDerWaalsContact CG-OD2 3.28Å; L72-D112 WeakPolarHBondContact CG-OD2 3.19Å; V108-D112 WeakPolarHBondContact O-CB 3.23Å; V108-D112 PolarHBondContact O-N 3.36Å; L109-D112 PolarHBondContact O-N 3.45Å; L110-D112 PolarHBondContact O-N 3.05Å; D112-I163 HydrophobicContact CB-CG2 3.81Å; D112-S167 WeakPolarHBondContact O-CB 3.49Å; D112-S167 PolarHBondContact O-OG 3.03Å |
| 113 | I | 89.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -110.7 | -40.3 | 179 | -72.1 | 94.8 | 0 | 0 | 0 | 113.9 | Y68 L109 L110 S116 M117 V475 A476 | Y68-I113 HydrophobicContact CE2-CD1 3.93Å; Y68-I113 HydrophobicContact CE2-CG1 4.01Å; L109-I113 WeakPolarHBondContact O-CD1 3.42Å; L109-I113 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 3.48Å; I113-S116 WeakPolarHBondContact O-CB 3.36Å; I113-S116 PolarHBondContact O-N 2.86Å; I113-M117 PolarHBondContact O-N 2.9Å; I113-V475 HydrophobicContact CB-CG1 4.49Å; I113-V475 HydrophobicContact CD1-CG1 4.18Å; I113-V475 HydrophobicContact CG1-CG1 3.71Å; I113-V475 HydrophobicContact CG2-CB 4.3Å; I113-V475 HydrophobicContact CG2-CG1 4.1Å; I113-A476 HydrophobicContact CG2-CB 4.07Å |
| 114 | L | 92.9 | Very high | 83.8 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | -171.7 | -69.7 | 175.6 | 0 | 0 | 0 | 113.8 | L110 S116 M117 I118 A476 F480 | L110-L114 HydrophobicContact CB-CD1 4.05Å; L110-L114 HydrophobicContact CB-CG 4.49Å; L110-L114 HydrophobicContact CD2-CD1 4.34Å; L110-L114 HydrophobicContact CD2-CG 4.46Å; L110-L114 VanDerWaalsContact O-CB 3.31Å; L110-L114 WeakPolarHBondContact O-CB 3.18Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.06Å; L114-S116 PolarHBondContact O-N 2.81Å; L114-M117 HydrophobicContact CD2-CE 3.69Å; L114-M117 PolarHBondContact O-N 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 3.49Å; L114-A476 HydrophobicContact CD2-CB 4.15Å; L114-F480 HydrophobicContact CD1-CZ 4.1Å; L114-F480 HydrophobicContact CD2-CE2 4.04Å; L114-F480 HydrophobicContact CD2-CZ 4.33Å |
| 115 | P | 95.2 | Very high | 85.8 | Confident | 18 Ų | 18 | 39 Ų | 39 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.4 | -22.1 | 32.4 | 0 | 0 | 0 | 112.9 | A111 I118 F119 V164 S167 L168 | A111-P115 WeakPolarHBondContact O-CD 3.07Å; A111-P115 VanDerWaalsContact O-CG 3.32Å; A111-P115 WeakPolarHBondContact O-CG 3.33Å; P115-I118 PolarHBondContact O-N 3.39Å; P115-F119 WeakPolarHBondContact O-CB 3.31Å; P115-F119 PolarHBondContact O-N 3.39Å; P115-V164 HydrophobicContact CB-CG1 4.16Å; P115-V164 HydrophobicContact CG-CB 4.25Å; P115-V164 HydrophobicContact CG-CG1 3.81Å; P115-V164 HydrophobicContact CG-CG2 4.12Å; P115-S167 WeakPolarHBondContact CD-OG 3.48Å; P115-L168 HydrophobicContact CB-CD2 3.83Å; P115-L168 HydrophobicContact CB-CG 3.71Å |
| 116 | S | 95.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.8 | -48.7 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | I113 L114 I118 F119 K120 S167 G171 | I113-S116 WeakPolarHBondContact O-CB 3.36Å; I113-S116 PolarHBondContact O-N 2.86Å; L114-S116 PolarHBondContact O-N 2.81Å; S116-I118 PolarHBondContact O-N 3.14Å; S116-F119 PolarHBondContact O-N 2.78Å; S116-K120 WeakPolarHBondContact O-CB 3.01Å; S116-K120 VanDerWaalsContact O-CG 3.32Å; S116-K120 WeakPolarHBondContact O-CG 3.49Å; S116-K120 PolarHBondContact O-N 2.95Å; S116-S167 VanDerWaalsContact CB-O 3.31Å; S116-S167 WeakPolarHBondContact CB-O 3.42Å; S116-S167 WeakPolarHBondContact CB-OG 3.34Å; S116-S167 PolarHBondContact N-OG 3.06Å; S116-G171 WeakPolarHBondContact OG-CA 3.27Å; S116-G171 PolarHBondContact OG-N 2.78Å |
| 117 | M | 95.1 | Very high | 88.3 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 21% | 0.212 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 179.7 | -172.9 | -171.8 | 71.6 | 0 | 0 | 112.3 | I113 L114 F119 K120 F121 I473 A476 | I113-M117 PolarHBondContact O-N 2.9Å; L114-M117 HydrophobicContact CD2-CE 3.69Å; L114-M117 PolarHBondContact O-N 3.47Å; M117-F119 VanDerWaalsContact C-N 3.35Å; M117-F119 PolarHBondContact O-N 2.8Å; M117-K120 PolarHBondContact O-N 3.29Å; M117-F121 WeakPolarHBondContact O-CB 3.49Å; M117-F121 PolarHBondContact O-N 3.33Å; M117-I473 HydrophobicContact SD-CG1 4.48Å; M117-A476 HydrophobicContact CE-CB 4.38Å; M117-A476 HydrophobicContact SD-CB 3.53Å; M117-A476 VanDerWaalsContact SD-CB 3.53Å |
| 118 | I | 96.3 | Very high | 89.3 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 48% | 0.482 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.5 | -68.2 | 164.6 | 0 | 0 | 0 | 109.9 | L114 P115 S116 F121 I122 | L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 3.49Å; P115-I118 PolarHBondContact O-N 3.39Å; S116-I118 PolarHBondContact O-N 3.14Å; I118-F121 PolarHBondContact O-N 3.41Å; I118-I122 HydrophobicContact CG2-CD1 3.93Å; I118-I122 WeakPolarHBondContact O-CG1 3.48Å; I118-I122 PolarHBondContact O-N 2.69Å; I118-I122 VanDerWaalsContact O-N 3.17Å |
| 119 | F | 96.3 | Very high | 90 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 17% | 0.167 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 176.4 | -178.9 | -90.2 | 0 | 0 | 0 | 111.1 | P115 S116 M117 F121 I122 S123 F126 L168 I172 V175 | P115-F119 WeakPolarHBondContact O-CB 3.31Å; P115-F119 PolarHBondContact O-N 3.39Å; S116-F119 PolarHBondContact O-N 2.78Å; M117-F119 VanDerWaalsContact C-N 3.35Å; M117-F119 PolarHBondContact O-N 2.8Å; F119-F121 PolarHBondContact O-N 3.31Å; F119-I122 PolarHBondContact O-N 3.15Å; F119-I122 VanDerWaalsContact O-N 3.13Å; F119-S123 VanDerWaalsContact O-CB 3.23Å; F119-S123 WeakPolarHBondContact O-CB 3.39Å; F119-S123 PolarHBondContact O-N 3.29Å; F119-F126 HydrophobicContact CE2-CE2 4.37Å; F119-F126 AromaticContact CE2-CZ 3.77Å; F119-F126 HydrophobicContact CE2-CZ 3.77Å; F119-F126 HydrophobicContact CZ-CE2 4.28Å; F119-F126 AromaticContact CZ-CZ 3.97Å; F119-F126 HydrophobicContact CZ-CZ 3.97Å; F119-L168 HydrophobicContact CB-CD2 4.18Å; F119-I172 HydrophobicContact CD1-CB 4.49Å; F119-I172 HydrophobicContact CD1-CG1 3.81Å; F119-I172 HydrophobicContact CD2-CG1 3.88Å; F119-I172 HydrophobicContact CE1-CB 4.1Å; F119-I172 HydrophobicContact CE1-CG1 3.58Å; F119-I172 HydrophobicContact CE2-CD1 4.31Å; F119-I172 HydrophobicContact CE2-CG1 3.64Å; F119-I172 HydrophobicContact CG-CG1 3.97Å; F119-I172 HydrophobicContact CZ-CB 4.3Å; F119-I172 HydrophobicContact CZ-CG1 3.5Å; F119-I172 VanDerWaalsContact CZ-CG1 3.5Å; F119-I172 HydrophobicContact CZ-CG2 4.49Å; F119-V175 HydrophobicContact CD1-CG2 4.37Å; F119-V175 HydrophobicContact CE1-CB 4.4Å; F119-V175 HydrophobicContact CE1-CG2 4.23Å |
| 120 | K | 96.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.6 | -41.6 | 177.4 | -78.5 | 171 | 165.2 | -171.7 | 0 | 111.2 | S116 M117 S123 P124 D174 V175 T468 V469 D471 S472 | S116-K120 WeakPolarHBondContact O-CB 3.01Å; S116-K120 VanDerWaalsContact O-CG 3.32Å; S116-K120 WeakPolarHBondContact O-CG 3.49Å; S116-K120 PolarHBondContact O-N 2.95Å; M117-K120 PolarHBondContact O-N 3.29Å; K120-S123 PolarHBondContact O-OG 2.79Å; K120-P124 VanDerWaalsContact O-CD 3.25Å; K120-P124 WeakPolarHBondContact O-CD 3.49Å; K120-D174 WeakPolarHBondContact CE-OD2 3.5Å; K120-D174 IonicContact NZ-OD2 3.98Å; K120-D174 PolarHBondContact NZ-OD2 2.88Å; K120-V175 HydrophobicContact CB-CG2 4.37Å; K120-V175 HydrophobicContact CG-CG2 3.69Å; K120-T468 WeakPolarHBondContact CD-O 3.38Å; K120-T468 PolarHBondContact NZ-O 3Å; K120-V469 VanDerWaalsContact C-CG2 3.49Å; K120-V469 HydrophobicContact CB-CG2 3.98Å; K120-V469 VanDerWaalsContact O-CG2 3.26Å; K120-V469 WeakPolarHBondContact O-CG2 3.45Å; K120-D471 IonicContact NZ-OD1 2.93Å; K120-D471 PolarHBondContact NZ-OD1 3.07Å; K120-D471 IonicContact NZ-OD2 3.66Å; K120-S472 WeakPolarHBondContact CD-OG 3.32Å; K120-S472 PolarHBondContact NZ-OG 2.86Å |
| 121 | F | 93.9 | Very high | 91.1 | Very high | 146 Ų | 146 | 46 Ų | 46 | 64% | 0.64 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65 | -40.3 | 179.2 | -167.9 | -93.5 | 0 | 0 | 0 | 113.4 | M117 I118 F119 P124 V469 | M117-F121 WeakPolarHBondContact O-CB 3.49Å; M117-F121 PolarHBondContact O-N 3.33Å; I118-F121 PolarHBondContact O-N 3.41Å; F119-F121 PolarHBondContact O-N 3.31Å; F121-P124 WeakPolarHBondContact O-CD 3.32Å; F121-V469 HydrophobicContact CD2-CG1 4.1Å |
| 122 | I | 93.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 40% | 0.395 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -84.7 | -28.8 | -177.9 | -56.3 | 170.9 | 0 | 0 | 0 | 111.2 | I118 F119 L125 F126 | I118-I122 HydrophobicContact CG2-CD1 3.93Å; I118-I122 WeakPolarHBondContact O-CG1 3.48Å; I118-I122 PolarHBondContact O-N 2.69Å; I118-I122 VanDerWaalsContact O-N 3.17Å; F119-I122 PolarHBondContact O-N 3.15Å; F119-I122 VanDerWaalsContact O-N 3.13Å; I122-L125 HydrophobicContact CG2-CD1 4.19Å; I122-L125 VanDerWaalsContact O-CB 3.29Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 WeakPolarHBondContact O-CG 3.31Å; I122-L125 PolarHBondContact O-N 3.35Å; I122-F126 HydrophobicContact CG2-CD1 4.38Å; I122-F126 HydrophobicContact CG2-CE1 3.87Å |
| 123 | S | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -51.8 | -39.6 | -173.2 | 75.1 | 0 | 0 | 0 | 0 | 115.4 | F119 K120 L125 F126 I127 V175 | F119-S123 VanDerWaalsContact O-CB 3.23Å; F119-S123 WeakPolarHBondContact O-CB 3.39Å; F119-S123 PolarHBondContact O-N 3.29Å; K120-S123 PolarHBondContact O-OG 2.79Å; S123-L125 PolarHBondContact O-N 2.83Å; S123-F126 PolarHBondContact O-N 2.95Å; S123-F126 VanDerWaalsContact O-N 3.08Å; S123-I127 WeakPolarHBondContact O-CB 3.49Å; S123-I127 WeakPolarHBondContact O-CG2 3.43Å; S123-I127 PolarHBondContact O-N 3.11Å; S123-V175 WeakPolarHBondContact OG-CG2 3.32Å |
| 124 | P | 88.3 | Confident | 92.1 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.7 | -14.4 | -177.4 | -20.7 | 35.9 | 0 | 0 | 0 | 112.8 | K120 F121 Y462 M466 | K120-P124 VanDerWaalsContact O-CD 3.25Å; K120-P124 WeakPolarHBondContact O-CD 3.49Å; F121-P124 WeakPolarHBondContact O-CD 3.32Å; P124-Y462 HydrophobicContact CB-CD2 4.38Å; P124-Y462 HydrophobicContact CB-CE2 3.68Å; P124-Y462 WeakPolarHBondContact O-CE2 3.47Å; P124-M466 HydrophobicContact CB-SD 4.12Å; P124-M466 HydrophobicContact CG-CB 4.48Å; P124-M466 HydrophobicContact CG-SD 3.76Å |
| 125 | L | 88.8 | Confident | 92.2 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -73.6 | -26.1 | 177.3 | -57.5 | 179.2 | 0 | 0 | 0 | 113.2 | I122 S123 | I122-L125 HydrophobicContact CG2-CD1 4.19Å; I122-L125 VanDerWaalsContact O-CB 3.29Å; I122-L125 WeakPolarHBondContact O-CB 3.5Å; I122-L125 WeakPolarHBondContact O-CG 3.31Å; I122-L125 PolarHBondContact O-N 3.35Å; S123-L125 PolarHBondContact O-N 2.83Å |
| 126 | F | 90 | Very high | 92.3 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139 | -15.8 | -171.9 | 65 | -96.5 | 0 | 0 | 0 | 114.7 | F119 I122 S123 Q128 K129 L130 | F119-F126 HydrophobicContact CE2-CE2 4.37Å; F119-F126 AromaticContact CE2-CZ 3.77Å; F119-F126 HydrophobicContact CE2-CZ 3.77Å; F119-F126 HydrophobicContact CZ-CE2 4.28Å; F119-F126 AromaticContact CZ-CZ 3.97Å; F119-F126 HydrophobicContact CZ-CZ 3.97Å; I122-F126 HydrophobicContact CG2-CD1 4.38Å; I122-F126 HydrophobicContact CG2-CE1 3.87Å; S123-F126 PolarHBondContact O-N 2.95Å; S123-F126 VanDerWaalsContact O-N 3.08Å; F126-Q128 VanDerWaalsContact C-N 3.28Å; F126-Q128 PolarHBondContact O-N 3.09Å; F126-K129 WeakPolarHBondContact O-CB 3.36Å; F126-K129 PolarHBondContact O-N 3.3Å; F126-L130 HydrophobicContact CD2-CD1 3.61Å; F126-L130 HydrophobicContact CD2-CG 4.34Å; F126-L130 HydrophobicContact CE2-CD1 3.79Å |
| 127 | I | 84.8 | Confident | 92.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -57.1 | -39.8 | -169.8 | -169 | 73.6 | 0 | 0 | 0 | 113.1 | S123 K129 L130 K135 V175 A465 | S123-I127 WeakPolarHBondContact O-CB 3.49Å; S123-I127 WeakPolarHBondContact O-CG2 3.43Å; S123-I127 PolarHBondContact O-N 3.11Å; I127-K129 PolarHBondContact O-N 3.45Å; I127-L130 PolarHBondContact O-N 3.09Å; I127-L130 VanDerWaalsContact O-N 3.16Å; I127-K135 HydrophobicContact CD1-CD 3.71Å; I127-K135 VanDerWaalsContact CD1-CE 3.48Å; I127-K135 HydrophobicContact CD1-CG 4.2Å; I127-K135 HydrophobicContact CG1-CD 4.33Å; I127-K135 WeakPolarHBondContact O-CE 3.35Å; I127-K135 PolarHBondContact O-NZ 3.46Å; I127-V175 HydrophobicContact CB-CG1 4.36Å; I127-V175 HydrophobicContact CD1-CG1 3.75Å; I127-V175 HydrophobicContact CG1-CG1 3.67Å; I127-A465 HydrophobicContact CG2-CB 4Å |
| 128 | Q | 84.6 | Confident | 92.5 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -67.4 | -16.8 | -179.3 | -78.2 | -175.1 | -52.9 | 0 | 0 | 113.1 | F126 K245 Q322 Q323 E461 | F126-Q128 VanDerWaalsContact C-N 3.28Å; F126-Q128 PolarHBondContact O-N 3.09Å; Q128-K245 WeakPolarHBondContact O-CE 3.43Å; Q128-K245 PolarHBondContact O-NZ 3.49Å; Q128-Q322 PolarHBondContact NE2-O 3.02Å; Q128-Q323 VanDerWaalsContact OE1-OE1 3.13Å; Q128-E461 HydrophobicContact CG-CG 4.13Å |
| 129 | K | 85.8 | Confident | 92.5 | Very high | 153 Ų | 153 | 46.5 Ų | 46.5 | 67% | 0.665 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -86.2 | -13.2 | 177.3 | -59.1 | -175.9 | 178.8 | 180 | 0 | 113 | F126 I127 | F126-K129 WeakPolarHBondContact O-CB 3.36Å; F126-K129 PolarHBondContact O-N 3.3Å; I127-K129 PolarHBondContact O-N 3.45Å |
| 130 | L | 89.5 | Confident | 92.6 | Very high | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -96.7 | 142 | -175.5 | -63.4 | 177.8 | 0 | 0 | 0 | 111.1 | F126 I127 F134 K135 | F126-L130 HydrophobicContact CD2-CD1 3.61Å; F126-L130 HydrophobicContact CD2-CG 4.34Å; F126-L130 HydrophobicContact CE2-CD1 3.79Å; I127-L130 PolarHBondContact O-N 3.09Å; I127-L130 VanDerWaalsContact O-N 3.16Å; L130-F134 HydrophobicContact CB-CD1 4.48Å; L130-F134 HydrophobicContact CD1-CD1 4.17Å; L130-F134 HydrophobicContact CD1-CE1 4.11Å; L130-F134 HydrophobicContact CD2-CD1 4.16Å; L130-F134 HydrophobicContact CD2-CE1 4.25Å; L130-K135 HydrophobicContact CB-CD 4.44Å; L130-K135 HydrophobicContact CB-CG 4.07Å; L130-K135 WeakPolarHBondContact O-CE 3.42Å; L130-K135 PolarHBondContact O-NZ 3.29Å; L130-K135 VanDerWaalsContact O-NZ 3.15Å |
| 131 | H | 91.5 | Very high | 92.7 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | trans | -71.4 | 146.1 | 173.8 | -67.2 | 78.9 | 0 | 0 | 0 | 111 | H133 F134 K135 R247 | H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 3.35Å; H131-F134 PolarHBondContact O-N 3.18Å; H131-K135 WeakPolarHBondContact O-CG 3.3Å; H131-K135 PolarHBondContact O-N 2.94Å; H131-R247 PolarHBondContact CD2-O 2.86Å | ||
| 132 | F | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | -179.9 | -75 | -70.4 | 0 | 0 | 0 | 112.8 | F134 K135 I136 T176 M180 F183 K245 F246 | F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.24Å; F132-K135 HydrophobicContact CD1-CD 4.09Å; F132-K135 HydrophobicContact CE1-CD 4.42Å; F132-K135 PolarHBondContact O-N 2.95Å; F132-I136 WeakPolarHBondContact O-CB 3.33Å; F132-I136 VanDerWaalsContact O-CG1 3.26Å; F132-I136 WeakPolarHBondContact O-CG1 3.31Å; F132-I136 PolarHBondContact O-N 3.18Å; F132-T176 HydrophobicContact CD1-CG2 3.84Å; F132-T176 HydrophobicContact CE1-CG2 4.34Å; F132-T176 WeakPolarHBondContact CE1-O 3.23Å; F132-M180 HydrophobicContact CB-CE 3.98Å; F132-M180 HydrophobicContact CD1-CB 4.15Å; F132-M180 HydrophobicContact CD1-CE 3.52Å; F132-M180 HydrophobicContact CD1-CG 4.31Å; F132-M180 HydrophobicContact CE1-CB 3.62Å; F132-M180 HydrophobicContact CE1-CE 4.19Å; F132-M180 HydrophobicContact CE1-CG 4.1Å; F132-M180 HydrophobicContact CG-CE 3.82Å; F132-M180 HydrophobicContact CZ-CB 3.98Å; F132-M180 HydrophobicContact CZ-CG 4.24Å; F132-F183 HydrophobicContact CE2-CD2 4.05Å; F132-F183 AromaticContact CE2-CE2 3.69Å; F132-F183 HydrophobicContact CE2-CE2 3.69Å; F132-F183 HydrophobicContact CE2-CZ 4.35Å; F132-F183 HydrophobicContact CZ-CD2 4.14Å; F132-F183 AromaticContact CZ-CE2 3.75Å; F132-F183 HydrophobicContact CZ-CE2 3.75Å; F132-K245 HydrophobicContact CD2-CB 3.84Å; F132-K245 HydrophobicContact CE2-CB 3.93Å; F132-K245 HydrophobicContact CE2-CD 4.24Å; F132-K245 PolarHBondContact N-O 3.2Å; F132-K245 VanDerWaalsContact N-O 3.09Å; F132-F246 HydrophobicContact CB-CD1 4.39Å; F132-F246 HydrophobicContact CB-CE1 4.36Å; F132-F246 HydrophobicContact CD2-CD1 4.05Å; F132-F246 HydrophobicContact CD2-CD2 4.15Å; F132-F246 AromaticContact CD2-CE1 3.65Å; F132-F246 HydrophobicContact CD2-CE1 3.65Å; F132-F246 AromaticContact CD2-CE2 3.76Å; F132-F246 HydrophobicContact CD2-CE2 3.76Å; F132-F246 HydrophobicContact CD2-CG 4.3Å; F132-F246 AromaticContact CD2-CZ 3.5Å; F132-F246 HydrophobicContact CD2-CZ 3.5Å; F132-F246 HydrophobicContact CE2-CD2 4.49Å; F132-F246 HydrophobicContact CE2-CE1 4.2Å; F132-F246 AromaticContact CE2-CE2 3.75Å; F132-F246 HydrophobicContact CE2-CE2 3.75Å; F132-F246 AromaticContact CE2-CZ 3.59Å; F132-F246 HydrophobicContact CE2-CZ 3.59Å; F132-F246 HydrophobicContact CG-CE1 4.1Å; F132-F246 HydrophobicContact CG-CZ 4.31Å; F132-F246 HydrophobicContact CZ-CZ 4.46Å |
| 133 | H | 93.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.6 | -48.6 | 173.5 | -64.6 | -57.6 | 0 | 0 | 0 | 112.4 | H131 L137 Y234 F235 R240 F246 | H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 3.35Å; H133-L137 VanDerWaalsContact O-CB 3.22Å; H133-L137 WeakPolarHBondContact O-CB 3.4Å; H133-L137 PolarHBondContact O-N 3.04Å; H133-Y234 AromaticContact CE1-CE1 3.75Å; H133-Y234 AromaticContact CE1-CZ 3.78Å; H133-Y234 PolarHBondContact CE1-OH 3.13Å; H133-Y234 PolarHBondContact N-OH 2.98Å; H133-Y234 AromaticContact ND1-CE1 3.22Å; H133-Y234 WeakPolarHBondContact ND1-CE1 3.29Å; H133-Y234 AromaticContact ND1-CZ 3.51Å; H133-Y234 PolarHBondContact ND1-OH 3Å; H133-F235 AromaticContact CE1-CE1 3.83Å; H133-F235 AromaticContact ND1-CE1 3.57Å; H133-F235 AromaticContact ND1-CZ 3.86Å; H133-R240 PolarHBondContact CE1-NH1 3.32Å; H133-F246 PolarHBondContact NE2-O 2.82Å |
| 134 | F | 94.7 | Very high | 93.3 | Very high | 112 Ų | 112 | 43 Ų | 43 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66 | -47.8 | -179.2 | 175.3 | -103.9 | 0 | 0 | 0 | 111.2 | L130 H131 F132 I136 L137 C138 | L130-F134 HydrophobicContact CB-CD1 4.48Å; L130-F134 HydrophobicContact CD1-CD1 4.17Å; L130-F134 HydrophobicContact CD1-CE1 4.11Å; L130-F134 HydrophobicContact CD2-CD1 4.16Å; L130-F134 HydrophobicContact CD2-CE1 4.25Å; H131-F134 PolarHBondContact O-N 3.18Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.24Å; F134-I136 PolarHBondContact O-N 3.31Å; F134-L137 PolarHBondContact O-N 2.81Å; F134-C138 VanDerWaalsContact CZ-SG 3.53Å; F134-C138 PolarHBondContact O-N 3.35Å; F134-C138 PolarHBondContact O-SG 2.77Å; F134-C138 VanDerWaalsContact O-SG 3.32Å |
| 135 | K | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -48 | -179.3 | -64 | 170.8 | -173.9 | 170.8 | 0 | 112.4 | I127 L130 H131 F132 C138 A139 T176 E461 | I127-K135 HydrophobicContact CD1-CD 3.71Å; I127-K135 VanDerWaalsContact CD1-CE 3.48Å; I127-K135 HydrophobicContact CD1-CG 4.2Å; I127-K135 HydrophobicContact CG1-CD 4.33Å; I127-K135 WeakPolarHBondContact O-CE 3.35Å; I127-K135 PolarHBondContact O-NZ 3.46Å; L130-K135 HydrophobicContact CB-CD 4.44Å; L130-K135 HydrophobicContact CB-CG 4.07Å; L130-K135 WeakPolarHBondContact O-CE 3.42Å; L130-K135 PolarHBondContact O-NZ 3.29Å; L130-K135 VanDerWaalsContact O-NZ 3.15Å; H131-K135 WeakPolarHBondContact O-CG 3.3Å; H131-K135 PolarHBondContact O-N 2.94Å; F132-K135 HydrophobicContact CD1-CD 4.09Å; F132-K135 HydrophobicContact CE1-CD 4.42Å; F132-K135 PolarHBondContact O-N 2.95Å; K135-C138 PolarHBondContact O-N 2.76Å; K135-A139 PolarHBondContact O-N 3.05Å; K135-T176 HydrophobicContact CB-CG2 3.56Å; K135-T176 WeakPolarHBondContact CB-OG1 3.28Å; K135-T176 HydrophobicContact CD-CG2 3.87Å; K135-T176 HydrophobicContact CG-CG2 4.38Å; K135-E461 IonicContact NZ-OE1 3.81Å |
| 136 | I | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | -178.9 | -63.4 | 167.8 | 0 | 0 | 0 | 110.6 | F132 F134 C138 A139 V140 T176 F177 M180 L231 Y234 | F132-I136 WeakPolarHBondContact O-CB 3.33Å; F132-I136 VanDerWaalsContact O-CG1 3.26Å; F132-I136 WeakPolarHBondContact O-CG1 3.31Å; F132-I136 PolarHBondContact O-N 3.18Å; F134-I136 PolarHBondContact O-N 3.31Å; I136-C138 VanDerWaalsContact C-N 3.33Å; I136-C138 PolarHBondContact O-N 3.41Å; I136-A139 PolarHBondContact O-N 3.5Å; I136-V140 HydrophobicContact CG2-CG2 4.24Å; I136-V140 WeakPolarHBondContact O-CB 3.41Å; I136-V140 WeakPolarHBondContact O-CG2 3.29Å; I136-V140 PolarHBondContact O-N 2.75Å; I136-T176 HydrophobicContact CG1-CG2 3.79Å; I136-F177 HydrophobicContact CD1-CE1 3.98Å; I136-F177 HydrophobicContact CD1-CZ 4.46Å; I136-F177 HydrophobicContact CG1-CE1 4.05Å; I136-F177 HydrophobicContact CG1-CZ 4.12Å; I136-F177 HydrophobicContact CG2-CZ 4.35Å; I136-M180 HydrophobicContact CD1-CE 3.64Å; I136-L231 HydrophobicContact CG2-CD1 4.13Å; I136-Y234 HydrophobicContact CD1-CD1 3.96Å; I136-Y234 HydrophobicContact CD1-CD2 3.2Å; I136-Y234 HydrophobicContact CD1-CE1 3.94Å; I136-Y234 HydrophobicContact CD1-CE2 3.2Å; I136-Y234 HydrophobicContact CD1-CG 3.59Å; I136-Y234 HydrophobicContact CG2-CG 4.45Å |
| 137 | L | 97 | Very high | 94.4 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.7 | -44 | 175.2 | -175.9 | 66.2 | 0 | 0 | 0 | 111 | H133 F134 V140 L141 | H133-L137 VanDerWaalsContact O-CB 3.22Å; H133-L137 WeakPolarHBondContact O-CB 3.4Å; H133-L137 PolarHBondContact O-N 3.04Å; F134-L137 PolarHBondContact O-N 2.81Å; L137-V140 PolarHBondContact O-N 3.06Å; L137-L141 HydrophobicContact CD1-CD1 4.07Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CD2-CD1 4.44Å; L137-L141 HydrophobicContact CG-CD1 3.82Å; L137-L141 HydrophobicContact CG-CG 4.25Å; L137-L141 VanDerWaalsContact O-CB 3.3Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.06Å |
| 138 | C | 97.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.8 | -72 | 0 | 0 | 0 | 0 | 112.3 | F134 K135 I136 L141 L142 | F134-C138 VanDerWaalsContact CZ-SG 3.53Å; F134-C138 PolarHBondContact O-N 3.35Å; F134-C138 PolarHBondContact O-SG 2.77Å; F134-C138 VanDerWaalsContact O-SG 3.32Å; K135-C138 PolarHBondContact O-N 2.76Å; I136-C138 VanDerWaalsContact C-N 3.33Å; I136-C138 PolarHBondContact O-N 3.41Å; C138-L141 PolarHBondContact O-N 3.34Å; C138-L142 WeakPolarHBondContact O-CB 3.49Å; C138-L142 WeakPolarHBondContact O-CD1 3.34Å; C138-L142 VanDerWaalsContact O-CG 3.32Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.89Å |
| 139 | A | 97.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -51.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | K135 I136 L141 L142 A143 S169 I172 | K135-A139 PolarHBondContact O-N 3.05Å; I136-A139 PolarHBondContact O-N 3.5Å; A139-L141 PolarHBondContact O-N 3.43Å; A139-L142 PolarHBondContact O-N 3.11Å; A139-A143 PolarHBondContact O-N 3.12Å; A139-S169 WeakPolarHBondContact O-CB 3.5Å; A139-S169 PolarHBondContact O-OG 3.11Å; A139-I172 HydrophobicContact CB-CB 4.31Å; A139-I172 HydrophobicContact CB-CG2 3.98Å |
| 140 | V | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | -179.7 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | I136 L137 L142 A143 I144 P227 T230 L231 | I136-V140 HydrophobicContact CG2-CG2 4.24Å; I136-V140 WeakPolarHBondContact O-CB 3.41Å; I136-V140 WeakPolarHBondContact O-CG2 3.29Å; I136-V140 PolarHBondContact O-N 2.75Å; L137-V140 PolarHBondContact O-N 3.06Å; V140-L142 VanDerWaalsContact C-N 3.34Å; V140-L142 PolarHBondContact O-N 3.5Å; V140-A143 PolarHBondContact O-N 2.94Å; V140-I144 HydrophobicContact CG1-CD1 3.8Å; V140-I144 HydrophobicContact CG1-CG1 4.41Å; V140-I144 VanDerWaalsContact O-CG1 3.26Å; V140-I144 WeakPolarHBondContact O-CG1 2.98Å; V140-I144 PolarHBondContact O-N 3.25Å; V140-P227 HydrophobicContact CG1-CB 4.25Å; V140-P227 WeakPolarHBondContact CG1-O 3.42Å; V140-T230 HydrophobicContact CG2-CG2 4.49Å; V140-L231 HydrophobicContact CG1-CB 4.32Å; V140-L231 HydrophobicContact CG1-CD2 4.48Å; V140-L231 HydrophobicContact CG2-CB 4.28Å; V140-L231 HydrophobicContact CG2-CD1 4.44Å |
| 141 | L | 98.2 | Very high | 95.9 | Very high | 98 Ų | 98 | 34.1 Ų | 34.1 | 51% | 0.513 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 178.6 | -72.2 | 175.5 | 0 | 0 | 0 | 112.1 | L137 C138 A139 I144 N145 | L137-L141 HydrophobicContact CD1-CD1 4.07Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CD2-CD1 4.44Å; L137-L141 HydrophobicContact CG-CD1 3.82Å; L137-L141 HydrophobicContact CG-CG 4.25Å; L137-L141 VanDerWaalsContact O-CB 3.3Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.06Å; C138-L141 PolarHBondContact O-N 3.34Å; A139-L141 PolarHBondContact O-N 3.43Å; L141-I144 PolarHBondContact O-N 3.21Å; L141-N145 WeakPolarHBondContact O-CB 3.22Å; L141-N145 PolarHBondContact O-N 2.91Å |
| 142 | L | 98 | Very high | 96.1 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 173.9 | -74.6 | 165.5 | 0 | 0 | 0 | 111.7 | C138 A139 V140 I144 N145 S146 S165 L168 I172 | C138-L142 WeakPolarHBondContact O-CB 3.49Å; C138-L142 WeakPolarHBondContact O-CD1 3.34Å; C138-L142 VanDerWaalsContact O-CG 3.32Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.89Å; A139-L142 PolarHBondContact O-N 3.11Å; V140-L142 VanDerWaalsContact C-N 3.34Å; V140-L142 PolarHBondContact O-N 3.5Å; L142-I144 PolarHBondContact O-N 2.95Å; L142-N145 PolarHBondContact O-N 3.05Å; L142-S146 PolarHBondContact O-N 2.77Å; L142-S165 WeakPolarHBondContact CD2-OG 3.38Å; L142-S165 PolarHBondContact O-OG 2.97Å; L142-S165 VanDerWaalsContact O-OG 3.12Å; L142-L168 HydrophobicContact CD1-CB 4.19Å; L142-I172 HydrophobicContact CD1-CD1 3.34Å |
| 143 | A | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S67 A139 V140 S146 F147 S169 P227 | S67-A143 WeakPolarHBondContact OG-CB 3.47Å; A139-A143 PolarHBondContact O-N 3.12Å; V140-A143 PolarHBondContact O-N 2.94Å; A143-S146 PolarHBondContact O-OG 3.31Å; A143-F147 WeakPolarHBondContact O-CD2 3.13Å; A143-F147 PolarHBondContact O-N 3.45Å; A143-S169 WeakPolarHBondContact CB-OG 3.38Å; A143-P227 HydrophobicContact CB-CB 3.72Å; A143-P227 HydrophobicContact CB-CG 4.15Å |
| 144 | I | 97.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 18% | 0.179 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 176.4 | -65.6 | 170.3 | 0 | 0 | 0 | 109.7 | V140 L141 L142 S146 F147 L148 I224 P227 | V140-I144 HydrophobicContact CG1-CD1 3.8Å; V140-I144 HydrophobicContact CG1-CG1 4.41Å; V140-I144 VanDerWaalsContact O-CG1 3.26Å; V140-I144 WeakPolarHBondContact O-CG1 2.98Å; V140-I144 PolarHBondContact O-N 3.25Å; L141-I144 PolarHBondContact O-N 3.21Å; L142-I144 PolarHBondContact O-N 2.95Å; I144-S146 VanDerWaalsContact C-N 3.33Å; I144-S146 PolarHBondContact O-N 3.41Å; I144-F147 PolarHBondContact O-N 2.81Å; I144-L148 HydrophobicContact CG2-CD1 3.8Å; I144-L148 HydrophobicContact CG2-CG 4.36Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.21Å; I144-L148 PolarHBondContact O-N 3.1Å; I144-L148 VanDerWaalsContact O-N 3.08Å; I144-I224 HydrophobicContact CG1-CG2 4.19Å; I144-I224 HydrophobicContact CG2-CG2 4.16Å; I144-P227 HydrophobicContact CG1-CB 4.17Å; I144-P227 HydrophobicContact CG1-CG 3.84Å |
| 145 | N | 97.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 178.2 | 173.2 | -104.2 | 0 | 0 | 0 | 112.2 | L141 L142 L148 M149 S165 | L141-N145 WeakPolarHBondContact O-CB 3.22Å; L141-N145 PolarHBondContact O-N 2.91Å; L142-N145 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact O-N 3.23Å; N145-M149 WeakPolarHBondContact O-CB 3.17Å; N145-M149 VanDerWaalsContact O-CG 3.28Å; N145-M149 WeakPolarHBondContact O-CG 3.33Å; N145-M149 PolarHBondContact O-N 3.33Å; N145-M149 PolarHBondContact OD1-SD 2.76Å; N145-S165 PolarHBondContact OD1-OG 2.92Å |
| 146 | S | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 178.7 | 66 | 0 | 0 | 0 | 0 | 112.1 | L142 A143 I144 L148 M149 V150 G162 | L142-S146 PolarHBondContact O-N 2.77Å; A143-S146 PolarHBondContact O-OG 3.31Å; I144-S146 VanDerWaalsContact C-N 3.33Å; I144-S146 PolarHBondContact O-N 3.41Å; S146-L148 PolarHBondContact O-N 2.87Å; S146-M149 PolarHBondContact O-N 3.49Å; S146-V150 WeakPolarHBondContact O-CG2 3.34Å; S146-V150 PolarHBondContact O-N 2.82Å; S146-G162 WeakPolarHBondContact CB-O 3.11Å |
| 147 | F | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 178.4 | -63 | -45.9 | 0 | 0 | 0 | 112.5 | S67 I70 M71 A143 I144 S151 L220 V223 I224 P227 | S67-F147 VanDerWaalsContact CA-CZ 3.49Å; S67-F147 VanDerWaalsContact OG-CE2 3.26Å; S67-F147 WeakPolarHBondContact OG-CE2 3.44Å; S67-F147 WeakPolarHBondContact OG-CZ 3.34Å; I70-F147 HydrophobicContact CB-CE1 3.98Å; I70-F147 HydrophobicContact CB-CZ 4.49Å; I70-F147 HydrophobicContact CG2-CD1 4.47Å; I70-F147 HydrophobicContact CG2-CE1 3.78Å; M71-F147 HydrophobicContact CE-CD1 3.61Å; M71-F147 HydrophobicContact CE-CE1 3.75Å; A143-F147 WeakPolarHBondContact O-CD2 3.13Å; A143-F147 PolarHBondContact O-N 3.45Å; I144-F147 PolarHBondContact O-N 2.81Å; F147-S151 WeakPolarHBondContact O-CB 3.25Å; F147-S151 PolarHBondContact O-N 3.29Å; F147-L220 HydrophobicContact CD1-CD2 4.05Å; F147-V223 HydrophobicContact CD1-CG1 4.27Å; F147-V223 HydrophobicContact CD2-CG1 4.18Å; F147-V223 HydrophobicContact CE1-CG1 3.7Å; F147-V223 HydrophobicContact CE2-CG1 3.59Å; F147-V223 HydrophobicContact CG-CG1 4.48Å; F147-V223 HydrophobicContact CZ-CG1 3.29Å; F147-I224 HydrophobicContact CB-CD1 4.29Å; F147-I224 HydrophobicContact CB-CG1 3.77Å; F147-I224 HydrophobicContact CD2-CG1 4.02Å; F147-I224 HydrophobicContact CG-CG1 4.33Å; F147-P227 HydrophobicContact CD2-CG 4.35Å; F147-P227 HydrophobicContact CE2-CG 4.04Å |
| 148 | L | 96.4 | Very high | 94 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 176.3 | -70 | 172.6 | 0 | 0 | 0 | 111.8 | I144 N145 S146 V150 S151 F152 I224 | I144-L148 HydrophobicContact CG2-CD1 3.8Å; I144-L148 HydrophobicContact CG2-CG 4.36Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.21Å; I144-L148 PolarHBondContact O-N 3.1Å; I144-L148 VanDerWaalsContact O-N 3.08Å; N145-L148 PolarHBondContact O-N 3.23Å; S146-L148 PolarHBondContact O-N 2.87Å; L148-V150 PolarHBondContact O-N 3.04Å; L148-S151 PolarHBondContact O-N 2.95Å; L148-F152 HydrophobicContact CD2-CD2 4.38Å; L148-F152 HydrophobicContact CD2-CE2 3.88Å; L148-F152 VanDerWaalsContact O-CD2 3.3Å; L148-F152 WeakPolarHBondContact O-CD2 3.1Å; L148-F152 PolarHBondContact O-N 2.9Å; L148-I224 HydrophobicContact CD2-CD1 3.56Å; L148-I224 HydrophobicContact CG-CD1 3.8Å |
| 149 | M | 94.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | -179.4 | -76.1 | -170.5 | 74 | 0 | 0 | 112.2 | N145 S146 S153 T158 F161 | N145-M149 WeakPolarHBondContact O-CB 3.17Å; N145-M149 VanDerWaalsContact O-CG 3.28Å; N145-M149 WeakPolarHBondContact O-CG 3.33Å; N145-M149 PolarHBondContact O-N 3.33Å; N145-M149 PolarHBondContact OD1-SD 2.76Å; S146-M149 PolarHBondContact O-N 3.49Å; M149-S153 WeakPolarHBondContact O-CA 3.26Å; M149-S153 VanDerWaalsContact O-CB 3.24Å; M149-S153 WeakPolarHBondContact O-CB 3.46Å; M149-S153 PolarHBondContact O-N 3.49Å; M149-T158 HydrophobicContact CE-CG2 3.97Å; M149-F161 HydrophobicContact CE-CB 3.41Å; M149-F161 VanDerWaalsContact CE-CB 3.41Å; M149-F161 HydrophobicContact CE-CG 4.39Å; M149-F161 HydrophobicContact SD-CB 4.35Å |
| 150 | V | 93.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.9 | -38.5 | 179 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | M71 I78 S146 L148 F152 S153 L220 | M71-V150 HydrophobicContact SD-CB 4.48Å; M71-V150 HydrophobicContact SD-CG2 3.78Å; I78-V150 HydrophobicContact CD1-CG1 3.53Å; I78-V150 HydrophobicContact CG1-CG1 3.71Å; S146-V150 WeakPolarHBondContact O-CG2 3.34Å; S146-V150 PolarHBondContact O-N 2.82Å; L148-V150 PolarHBondContact O-N 3.04Å; V150-F152 PolarHBondContact O-N 3.38Å; V150-S153 PolarHBondContact O-N 3.23Å; V150-S153 PolarHBondContact O-OG 3.19Å; V150-L220 HydrophobicContact CB-CD1 3.92Å; V150-L220 HydrophobicContact CG1-CD1 3.51Å |
| 151 | S | 93.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | F147 L148 E217 C221 | F147-S151 WeakPolarHBondContact O-CB 3.25Å; F147-S151 PolarHBondContact O-N 3.29Å; L148-S151 PolarHBondContact O-N 2.95Å; S151-E217 WeakPolarHBondContact O-CG 3.46Å; S151-E217 PolarHBondContact OG-O 2.98Å; S151-C221 PolarHBondContact OG-SG 3.17Å |
| 152 | F | 94.2 | Very high | 92.7 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 63% | 0.627 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 10.5 | -179.1 | -62.1 | -65.2 | 0 | 0 | 0 | 114.1 | L148 V150 Q154 | L148-F152 HydrophobicContact CD2-CD2 4.38Å; L148-F152 HydrophobicContact CD2-CE2 3.88Å; L148-F152 VanDerWaalsContact O-CD2 3.3Å; L148-F152 WeakPolarHBondContact O-CD2 3.1Å; L148-F152 PolarHBondContact O-N 2.9Å; V150-F152 PolarHBondContact O-N 3.38Å; F152-Q154 PolarHBondContact O-N 2.9Å |
| 153 | S | 91.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | trans | -65.1 | 126.2 | -177.4 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | M149 V150 S159 | M149-S153 WeakPolarHBondContact O-CA 3.26Å; M149-S153 VanDerWaalsContact O-CB 3.24Å; M149-S153 WeakPolarHBondContact O-CB 3.46Å; M149-S153 PolarHBondContact O-N 3.49Å; V150-S153 PolarHBondContact O-N 3.23Å; V150-S153 PolarHBondContact O-OG 3.19Å; S153-S159 WeakPolarHBondContact CB-OG 3.2Å; S153-S159 PolarHBondContact OG-OG 3.17Å | ||
| 154 | Q | 88.4 | Confident | 92.3 | Very high | 188 Ų | 188 | 50.7 Ų | 50.7 | 88% | 0.879 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -101.6 | -11.8 | 168.8 | -62.8 | 179.4 | 1.1 | 0 | 0 | 112.5 | F152 | F152-Q154 PolarHBondContact O-N 2.9Š|
| 155 | S | 87 | Confident | 92.2 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -129.9 | 151.5 | 179.7 | 80.9 | 0 | 0 | 0 | 0 | 110.9 | H82 S157 T158 S159 | H82-S155 PolarHBondContact NE2-O 2.92Å; S155-S157 PolarHBondContact O-N 3.41Å; S155-T158 PolarHBondContact O-N 2.94Å; S155-T158 PolarHBondContact OG-N 2.87Å; S155-T158 VanDerWaalsContact OG-N 3.09Å; S155-T158 PolarHBondContact OG-OG1 2.81Å; S155-S159 PolarHBondContact O-N 3.26Å; S155-S159 VanDerWaalsContact O-N 3.17Å; S155-S159 PolarHBondContact O-OG 3.31Å |
| 156 | F | 83.9 | Confident | 92.2 | Very high | 92 Ų | 92 | 46.2 Ų | 46.2 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 174.8 | -179.6 | -104.8 | 0 | 0 | 0 | 111.1 | H82 T158 S159 L160 | H82-F156 HydrophobicContact CB-CB 4.43Å; H82-F156 PolarHBondContact CD2-N 2.97Å; H82-F156 VanDerWaalsContact CD2-N 3.32Å; H82-F156 PolarHBondContact NE2-N 2.78Å; F156-T158 PolarHBondContact O-N 2.95Å; F156-S159 WeakPolarHBondContact O-CB 3.37Å; F156-S159 PolarHBondContact O-N 3.33Å; F156-S159 VanDerWaalsContact O-N 3.16Å; F156-L160 PolarHBondContact O-N 3.29Å |
| 157 | S | 86.4 | Confident | 92.2 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | S155 S159 L160 F161 | S155-S157 PolarHBondContact O-N 3.41Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 2.98Å; S157-F161 WeakPolarHBondContact O-CD2 3.42Å; S157-F161 PolarHBondContact O-N 2.98Å |
| 158 | T | 91.1 | Very high | 92.2 | Very high | 50 Ų | 50 | 48.8 Ų | 48.8 | 31% | 0.307 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | M149 S155 F156 L160 F161 G162 | M149-T158 HydrophobicContact CE-CG2 3.97Å; S155-T158 PolarHBondContact O-N 2.94Å; S155-T158 PolarHBondContact OG-N 2.87Å; S155-T158 VanDerWaalsContact OG-N 3.09Å; S155-T158 PolarHBondContact OG-OG1 2.81Å; F156-T158 PolarHBondContact O-N 2.95Å; T158-L160 VanDerWaalsContact C-N 3.35Å; T158-F161 PolarHBondContact O-N 3.4Å; T158-G162 PolarHBondContact O-N 3.26Å; T158-G162 VanDerWaalsContact O-N 3.08Å |
| 159 | S | 89.6 | Confident | 92.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 175 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | H82 S153 S155 F156 S157 F161 G162 I163 | H82-S159 PolarHBondContact CE1-OG 2.92Å; S153-S159 WeakPolarHBondContact CB-OG 3.2Å; S153-S159 PolarHBondContact OG-OG 3.17Å; S155-S159 PolarHBondContact O-N 3.26Å; S155-S159 VanDerWaalsContact O-N 3.17Å; S155-S159 PolarHBondContact O-OG 3.31Å; F156-S159 WeakPolarHBondContact O-CB 3.37Å; F156-S159 PolarHBondContact O-N 3.33Å; F156-S159 VanDerWaalsContact O-N 3.16Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 3.42Å; S159-F161 PolarHBondContact O-N 2.83Å; S159-G162 WeakPolarHBondContact O-CA 3.12Å; S159-G162 PolarHBondContact O-N 3.05Å; S159-G162 VanDerWaalsContact O-N 3.09Å; S159-I163 WeakPolarHBondContact O-CG1 3.4Å; S159-I163 PolarHBondContact O-N 3.36Å |
| 160 | L | 88.6 | Confident | 92.3 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.8 | -171.6 | 65.1 | 0 | 0 | 0 | 112 | A111 F156 S157 T158 G162 I163 V164 | A111-L160 HydrophobicContact CB-CD1 3.55Å; F156-L160 PolarHBondContact O-N 3.29Å; S157-L160 PolarHBondContact O-N 2.98Å; T158-L160 VanDerWaalsContact C-N 3.35Å; L160-G162 VanDerWaalsContact C-N 3.28Å; L160-G162 PolarHBondContact O-N 2.96Å; L160-I163 PolarHBondContact O-N 3.22Å; L160-V164 WeakPolarHBondContact O-CG2 3.22Å; L160-V164 PolarHBondContact O-N 3.26Å |
| 161 | F | 91.7 | Very high | 92.5 | Very high | 136 Ų | 136 | 43.6 Ų | 43.6 | 60% | 0.596 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62 | -36.5 | 172.7 | -80.8 | -65.2 | 0 | 0 | 0 | 112.4 | M149 S157 T158 S159 V164 S165 | M149-F161 HydrophobicContact CE-CB 3.41Å; M149-F161 VanDerWaalsContact CE-CB 3.41Å; M149-F161 HydrophobicContact CE-CG 4.39Å; M149-F161 HydrophobicContact SD-CB 4.35Å; S157-F161 WeakPolarHBondContact O-CD2 3.42Å; S157-F161 PolarHBondContact O-N 2.98Å; T158-F161 PolarHBondContact O-N 3.4Å; S159-F161 PolarHBondContact O-N 2.83Å; F161-V164 PolarHBondContact O-N 2.92Å; F161-S165 WeakPolarHBondContact O-CB 3.43Å; F161-S165 PolarHBondContact O-N 3.48Å |
| 162 | G | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S146 T158 S159 L160 V164 S165 A166 | S146-G162 WeakPolarHBondContact CB-O 3.11Å; T158-G162 PolarHBondContact O-N 3.26Å; T158-G162 VanDerWaalsContact O-N 3.08Å; S159-G162 WeakPolarHBondContact O-CA 3.12Å; S159-G162 PolarHBondContact O-N 3.05Å; S159-G162 VanDerWaalsContact O-N 3.09Å; L160-G162 VanDerWaalsContact C-N 3.28Å; L160-G162 PolarHBondContact O-N 2.96Å; G162-V164 PolarHBondContact O-N 3.16Å; G162-S165 WeakPolarHBondContact O-CB 3.5Å; G162-S165 PolarHBondContact O-N 3.2Å; G162-S165 VanDerWaalsContact O-N 3.15Å; G162-A166 PolarHBondContact O-N 2.88Å |
| 163 | I | 92.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.4 | -63.4 | 166.6 | 0 | 0 | 0 | 111 | M71 I78 V108 A111 D112 S159 L160 S165 A166 S167 | M71-I163 HydrophobicContact CG-CG1 4.47Å; M71-I163 HydrophobicContact SD-CG1 4.12Å; I78-I163 HydrophobicContact CD1-CD1 4.24Å; V108-I163 HydrophobicContact CG1-CD1 4.13Å; A111-I163 HydrophobicContact CB-CG2 4.35Å; D112-I163 HydrophobicContact CB-CG2 3.81Å; S159-I163 WeakPolarHBondContact O-CG1 3.4Å; S159-I163 PolarHBondContact O-N 3.36Å; L160-I163 PolarHBondContact O-N 3.22Å; I163-S165 VanDerWaalsContact C-N 3.27Å; I163-S165 PolarHBondContact O-N 2.89Å; I163-A166 WeakPolarHBondContact O-CB 3.38Å; I163-A166 PolarHBondContact O-N 3.41Å; I163-A166 VanDerWaalsContact O-N 3.12Å; I163-S167 PolarHBondContact O-N 3.45Å |
| 164 | V | 94.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 26% | 0.261 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 175.1 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | A111 P115 L160 F161 G162 S167 L168 | A111-V164 HydrophobicContact CB-CG2 4.46Å; P115-V164 HydrophobicContact CB-CG1 4.16Å; P115-V164 HydrophobicContact CG-CB 4.25Å; P115-V164 HydrophobicContact CG-CG1 3.81Å; P115-V164 HydrophobicContact CG-CG2 4.12Å; L160-V164 WeakPolarHBondContact O-CG2 3.22Å; L160-V164 PolarHBondContact O-N 3.26Å; F161-V164 PolarHBondContact O-N 2.92Å; G162-V164 PolarHBondContact O-N 3.16Å; V164-S167 WeakPolarHBondContact O-CB 3.46Å; V164-S167 PolarHBondContact O-N 3.08Å; V164-L168 HydrophobicContact CG1-CD1 4.3Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.5Å |
| 165 | S | 96.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.9 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | L142 N145 F161 G162 I163 L168 S169 | L142-S165 WeakPolarHBondContact CD2-OG 3.38Å; L142-S165 PolarHBondContact O-OG 2.97Å; L142-S165 VanDerWaalsContact O-OG 3.12Å; N145-S165 PolarHBondContact OD1-OG 2.92Å; F161-S165 WeakPolarHBondContact O-CB 3.43Å; F161-S165 PolarHBondContact O-N 3.48Å; G162-S165 WeakPolarHBondContact O-CB 3.5Å; G162-S165 PolarHBondContact O-N 3.2Å; G162-S165 VanDerWaalsContact O-N 3.15Å; I163-S165 VanDerWaalsContact C-N 3.27Å; I163-S165 PolarHBondContact O-N 2.89Å; S165-L168 PolarHBondContact O-N 3.18Å; S165-S169 WeakPolarHBondContact O-CB 3.47Å; S165-S169 PolarHBondContact O-N 3.37Å |
| 166 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | M71 G162 I163 S169 S170 | M71-A166 HydrophobicContact CG-CB 3.57Å; G162-A166 PolarHBondContact O-N 2.88Å; I163-A166 WeakPolarHBondContact O-CB 3.38Å; I163-A166 PolarHBondContact O-N 3.41Å; I163-A166 VanDerWaalsContact O-N 3.12Å; A166-S169 WeakPolarHBondContact O-CB 3.47Å; A166-S169 PolarHBondContact O-N 3.5Å; A166-S170 PolarHBondContact O-N 2.8Å |
| 167 | S | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | D112 P115 S116 I163 V164 S169 S170 G171 | D112-S167 WeakPolarHBondContact O-CB 3.49Å; D112-S167 PolarHBondContact O-OG 3.03Å; P115-S167 WeakPolarHBondContact CD-OG 3.48Å; S116-S167 VanDerWaalsContact CB-O 3.31Å; S116-S167 WeakPolarHBondContact CB-O 3.42Å; S116-S167 WeakPolarHBondContact CB-OG 3.34Å; S116-S167 PolarHBondContact N-OG 3.06Å; I163-S167 PolarHBondContact O-N 3.45Å; V164-S167 WeakPolarHBondContact O-CB 3.46Å; V164-S167 PolarHBondContact O-N 3.08Å; S167-S169 VanDerWaalsContact C-N 3.35Å; S167-S169 PolarHBondContact O-N 3.31Å; S167-S170 PolarHBondContact O-N 3.41Å; S167-G171 PolarHBondContact O-N 3.12Å |
| 168 | L | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 18.7 Ų | 18.7 | 28% | 0.283 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.3 | -76.2 | 171.8 | 0 | 0 | 0 | 112.2 | P115 F119 L142 V164 S165 G171 I172 | P115-L168 HydrophobicContact CB-CD2 3.83Å; P115-L168 HydrophobicContact CB-CG 3.71Å; F119-L168 HydrophobicContact CB-CD2 4.18Å; L142-L168 HydrophobicContact CD1-CB 4.19Å; V164-L168 HydrophobicContact CG1-CD1 4.3Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.5Å; S165-L168 PolarHBondContact O-N 3.18Å; L168-G171 PolarHBondContact O-N 2.78Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CD1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.21Å; L168-I172 PolarHBondContact O-N 2.85Å |
| 169 | S | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -54.8 | -53.7 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | A139 A143 S165 A166 S167 G171 I172 G173 | A139-S169 WeakPolarHBondContact O-CB 3.5Å; A139-S169 PolarHBondContact O-OG 3.11Å; A143-S169 WeakPolarHBondContact CB-OG 3.38Å; S165-S169 WeakPolarHBondContact O-CB 3.47Å; S165-S169 PolarHBondContact O-N 3.37Å; A166-S169 WeakPolarHBondContact O-CB 3.47Å; A166-S169 PolarHBondContact O-N 3.5Å; S167-S169 VanDerWaalsContact C-N 3.35Å; S167-S169 PolarHBondContact O-N 3.31Å; S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.35Å; S169-I172 PolarHBondContact O-N 2.94Å; S169-G173 PolarHBondContact O-N 3.41Å |
| 170 | S | 96.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 16.3 Ų | 16.3 | 6% | 0.056 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | -179.2 | 180 | 0 | 0 | 0 | 0 | 111.3 | N64 A166 S167 G173 D174 | N64-S170 PolarHBondContact ND2-O 3.23Å; A166-S170 PolarHBondContact O-N 2.8Å; S167-S170 PolarHBondContact O-N 3.41Å; S170-G173 PolarHBondContact O-N 3.34Å; S170-D174 WeakPolarHBondContact O-CB 3.24Å; S170-D174 PolarHBondContact O-N 3.22Å |
| 171 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S116 S167 L168 S169 V175 | S116-G171 WeakPolarHBondContact OG-CA 3.27Å; S116-G171 PolarHBondContact OG-N 2.78Å; S167-G171 PolarHBondContact O-N 3.12Å; L168-G171 PolarHBondContact O-N 2.78Å; S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.35Å; G171-V175 VanDerWaalsContact O-CG2 3.3Å; G171-V175 WeakPolarHBondContact O-CG2 3.33Å; G171-V175 PolarHBondContact O-N 3.23Å |
| 172 | I | 97 | Very high | 95.7 | Very high | 17 Ų | 17 | 7.3 Ų | 7.3 | 9% | 0.087 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.3 | -69.4 | 160.9 | 0 | 0 | 0 | 110.1 | F119 A139 L142 L168 S169 T176 | F119-I172 HydrophobicContact CD1-CB 4.49Å; F119-I172 HydrophobicContact CD1-CG1 3.81Å; F119-I172 HydrophobicContact CD2-CG1 3.88Å; F119-I172 HydrophobicContact CE1-CB 4.1Å; F119-I172 HydrophobicContact CE1-CG1 3.58Å; F119-I172 HydrophobicContact CE2-CD1 4.31Å; F119-I172 HydrophobicContact CE2-CG1 3.64Å; F119-I172 HydrophobicContact CG-CG1 3.97Å; F119-I172 HydrophobicContact CZ-CB 4.3Å; F119-I172 HydrophobicContact CZ-CG1 3.5Å; F119-I172 VanDerWaalsContact CZ-CG1 3.5Å; F119-I172 HydrophobicContact CZ-CG2 4.49Å; A139-I172 HydrophobicContact CB-CB 4.31Å; A139-I172 HydrophobicContact CB-CG2 3.98Å; L142-I172 HydrophobicContact CD1-CD1 3.34Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CD1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.21Å; L168-I172 PolarHBondContact O-N 2.85Å; S169-I172 PolarHBondContact O-N 2.94Å; I172-T176 WeakPolarHBondContact O-CB 3.32Å; I172-T176 PolarHBondContact O-N 2.67Å; I172-T176 PolarHBondContact O-OG1 3Å |
| 173 | G | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70 | -37.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N64 S169 S170 V175 T176 F177 | N64-G173 WeakPolarHBondContact OD1-CA 3.27Å; S169-G173 PolarHBondContact O-N 3.41Å; S170-G173 PolarHBondContact O-N 3.34Å; G173-V175 PolarHBondContact O-N 2.88Å; G173-T176 PolarHBondContact O-N 3.46Å; G173-T176 VanDerWaalsContact O-N 3.13Å; G173-F177 WeakPolarHBondContact O-CB 3.25Å; G173-F177 WeakPolarHBondContact O-CD2 3.42Å; G173-F177 PolarHBondContact O-N 3.18Å |
| 174 | D | 96.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 4% | 0.043 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -55 | -55.3 | 174.5 | -89.3 | -4.4 | 0 | 0 | 0 | 110.6 | N64 N65 K120 S170 T176 L178 W192 | N64-D174 PolarHBondContact ND2-N 3.48Å; N64-D174 PolarHBondContact ND2-OD1 3.38Å; N65-D174 PolarHBondContact OD1-OD1 2.84Å; K120-D174 WeakPolarHBondContact CE-OD2 3.5Å; K120-D174 IonicContact NZ-OD2 3.98Å; K120-D174 PolarHBondContact NZ-OD2 2.88Å; S170-D174 WeakPolarHBondContact O-CB 3.24Å; S170-D174 PolarHBondContact O-N 3.22Å; D174-T176 VanDerWaalsContact C-N 3.27Å; D174-T176 PolarHBondContact O-N 2.89Å; D174-L178 WeakPolarHBondContact O-CB 3.33Å; D174-L178 WeakPolarHBondContact O-CG 3.23Å; D174-L178 PolarHBondContact O-N 3.11Å; D174-W192 WeakPolarHBondContact OD1-CZ2 3.46Å |
| 175 | V | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | F119 K120 S123 I127 G171 G173 S179 A465 T468 | F119-V175 HydrophobicContact CD1-CG2 4.37Å; F119-V175 HydrophobicContact CE1-CB 4.4Å; F119-V175 HydrophobicContact CE1-CG2 4.23Å; K120-V175 HydrophobicContact CB-CG2 4.37Å; K120-V175 HydrophobicContact CG-CG2 3.69Å; S123-V175 WeakPolarHBondContact OG-CG2 3.32Å; I127-V175 HydrophobicContact CB-CG1 4.36Å; I127-V175 HydrophobicContact CD1-CG1 3.75Å; I127-V175 HydrophobicContact CG1-CG1 3.67Å; G171-V175 VanDerWaalsContact O-CG2 3.3Å; G171-V175 WeakPolarHBondContact O-CG2 3.33Å; G171-V175 PolarHBondContact O-N 3.23Å; G173-V175 PolarHBondContact O-N 2.88Å; V175-S179 WeakPolarHBondContact O-CB 3.28Å; V175-S179 PolarHBondContact O-N 3.35Å; V175-S179 PolarHBondContact O-OG 2.94Å; V175-A465 HydrophobicContact CG1-CB 3.94Å; V175-T468 WeakPolarHBondContact CG2-OG1 3.22Å |
| 176 | T | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.6 | -52.5 | -175.8 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | F132 K135 I136 I172 G173 D174 S179 M180 | F132-T176 HydrophobicContact CD1-CG2 3.84Å; F132-T176 HydrophobicContact CE1-CG2 4.34Å; F132-T176 WeakPolarHBondContact CE1-O 3.23Å; K135-T176 HydrophobicContact CB-CG2 3.56Å; K135-T176 WeakPolarHBondContact CB-OG1 3.28Å; K135-T176 HydrophobicContact CD-CG2 3.87Å; K135-T176 HydrophobicContact CG-CG2 4.38Å; I136-T176 HydrophobicContact CG1-CG2 3.79Å; I172-T176 WeakPolarHBondContact O-CB 3.32Å; I172-T176 PolarHBondContact O-N 2.67Å; I172-T176 PolarHBondContact O-OG1 3Å; G173-T176 PolarHBondContact O-N 3.46Å; G173-T176 VanDerWaalsContact O-N 3.13Å; D174-T176 VanDerWaalsContact C-N 3.27Å; D174-T176 PolarHBondContact O-N 2.89Å; T176-S179 PolarHBondContact O-OG 3.49Å; T176-M180 VanDerWaalsContact O-CB 3.23Å; T176-M180 WeakPolarHBondContact O-CB 3.33Å; T176-M180 PolarHBondContact O-N 3.32Å |
| 177 | F | 97.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 1% | 0.013 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74.6 | -38.6 | -176 | -65.6 | -63.2 | 0 | 0 | 0 | 111.8 | F60 N64 I136 G173 M180 V181 W192 T230 | F60-F177 HydrophobicContact CB-CD1 3.74Å; F60-F177 HydrophobicContact CB-CD2 4.13Å; F60-F177 HydrophobicContact CB-CE1 3.78Å; F60-F177 HydrophobicContact CB-CE2 4.17Å; F60-F177 HydrophobicContact CB-CG 3.92Å; F60-F177 HydrophobicContact CB-CZ 4Å; F60-F177 HydrophobicContact CD1-CD1 4.35Å; F60-F177 AromaticContact CD1-CE1 3.64Å; F60-F177 HydrophobicContact CD1-CE1 3.64Å; F60-F177 AromaticContact CD1-CZ 3.92Å; F60-F177 HydrophobicContact CD1-CZ 3.92Å; F60-F177 AromaticContact CD2-CD1 3.47Å; F60-F177 HydrophobicContact CD2-CD1 3.47Å; F60-F177 VanDerWaalsContact CD2-CD1 3.47Å; F60-F177 AromaticContact CD2-CE1 3.53Å; F60-F177 HydrophobicContact CD2-CE1 3.53Å; F60-F177 HydrophobicContact CD2-CG 4.39Å; F60-F177 HydrophobicContact CD2-CZ 4.48Å; F60-F177 HydrophobicContact CE1-CE1 4.06Å; F60-F177 HydrophobicContact CE2-CD1 4.14Å; F60-F177 AromaticContact CE2-CE1 3.97Å; F60-F177 HydrophobicContact CE2-CE1 3.97Å; F60-F177 AromaticContact CG-CD1 3.62Å; F60-F177 HydrophobicContact CG-CD1 3.62Å; F60-F177 AromaticContact CG-CE1 3.37Å; F60-F177 HydrophobicContact CG-CE1 3.37Å; F60-F177 HydrophobicContact CG-CG 4.32Å; F60-F177 AromaticContact CG-CZ 3.9Å; F60-F177 HydrophobicContact CG-CZ 3.9Å; F60-F177 HydrophobicContact CZ-CE1 4.22Å; N64-F177 HydrophobicContact CB-CD2 4.34Å; N64-F177 HydrophobicContact CB-CE2 4.28Å; I136-F177 HydrophobicContact CD1-CE1 3.98Å; I136-F177 HydrophobicContact CD1-CZ 4.46Å; I136-F177 HydrophobicContact CG1-CE1 4.05Å; I136-F177 HydrophobicContact CG1-CZ 4.12Å; I136-F177 HydrophobicContact CG2-CZ 4.35Å; G173-F177 WeakPolarHBondContact O-CB 3.25Å; G173-F177 WeakPolarHBondContact O-CD2 3.42Å; G173-F177 PolarHBondContact O-N 3.18Å; F177-M180 HydrophobicContact CD1-CE 4.22Å; F177-M180 HydrophobicContact CE1-CE 4.46Å; F177-M180 WeakPolarHBondContact O-CB 3.48Å; F177-M180 PolarHBondContact O-N 3.48Å; F177-V181 WeakPolarHBondContact O-CG2 3.42Å; F177-V181 PolarHBondContact O-N 3.45Å; F177-V181 VanDerWaalsContact O-N 3.1Å; F177-W192 HydrophobicContact CB-CD2 4.25Å; F177-W192 HydrophobicContact CB-CE3 3.55Å; F177-W192 HydrophobicContact CB-CH2 3.68Å; F177-W192 HydrophobicContact CB-CZ2 4.35Å; F177-W192 HydrophobicContact CB-CZ3 3.22Å; F177-W192 HydrophobicContact CD1-CZ3 4.49Å; F177-W192 HydrophobicContact CD2-CE3 4.37Å; F177-W192 AromaticContact CD2-CH2 3.61Å; F177-W192 HydrophobicContact CD2-CH2 3.61Å; F177-W192 AromaticContact CD2-CZ3 3.31Å; F177-W192 HydrophobicContact CD2-CZ3 3.31Å; F177-W192 HydrophobicContact CE2-CZ3 4.27Å; F177-W192 HydrophobicContact CG-CE3 4.11Å; F177-W192 HydrophobicContact CG-CH2 4.03Å; F177-W192 AromaticContact CG-CZ3 3.45Å; F177-W192 HydrophobicContact CG-CZ3 3.45Å; F177-W192 VanDerWaalsContact CG-CZ3 3.45Å; F177-T230 HydrophobicContact CZ-CG2 4.13Å |
| 178 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.6 | -74.5 | 165.8 | 0 | 0 | 0 | 112.1 | D174 M180 V181 I189 W192 F448 M464 T468 | D174-L178 WeakPolarHBondContact O-CB 3.33Å; D174-L178 WeakPolarHBondContact O-CG 3.23Å; D174-L178 PolarHBondContact O-N 3.11Å; L178-M180 VanDerWaalsContact C-N 3.3Å; L178-V181 WeakPolarHBondContact O-CB 3.25Å; L178-V181 PolarHBondContact O-N 3.38Å; L178-I189 HydrophobicContact CD2-CD1 3.26Å; L178-W192 HydrophobicContact CD2-CG 4.35Å; L178-W192 HydrophobicContact CG-CZ2 4.45Å; L178-F448 HydrophobicContact CD1-CD1 4.45Å; L178-F448 HydrophobicContact CD1-CE1 3.85Å; L178-F448 HydrophobicContact CD1-CE2 4.39Å; L178-F448 HydrophobicContact CD1-CZ 3.82Å; L178-F448 HydrophobicContact CD2-CD1 4.09Å; L178-F448 HydrophobicContact CD2-CE1 4.3Å; L178-F448 HydrophobicContact CD2-CG 4.29Å; L178-M464 HydrophobicContact CB-CE 4.41Å; L178-M464 HydrophobicContact CD2-CE 4.1Å; L178-M464 WeakPolarHBondContact O-CB 3.37Å; L178-T468 HydrophobicContact CB-CG2 4.08Å; L178-T468 HydrophobicContact CD1-CG2 3.48Å; L178-T468 VanDerWaalsContact CD1-CG2 3.48Å; L178-T468 HydrophobicContact CG-CG2 4.41Å |
| 179 | S | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.4 | -32.5 | 172.5 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | V175 T176 V181 A182 E461 | V175-S179 WeakPolarHBondContact O-CB 3.28Å; V175-S179 PolarHBondContact O-N 3.35Å; V175-S179 PolarHBondContact O-OG 2.94Å; T176-S179 PolarHBondContact O-OG 3.49Å; S179-V181 VanDerWaalsContact C-N 3.3Å; S179-V181 PolarHBondContact O-N 3.38Å; S179-A182 VanDerWaalsContact O-CB 3.23Å; S179-A182 WeakPolarHBondContact O-CB 2.86Å; S179-A182 PolarHBondContact O-N 3.39Å; S179-E461 WeakPolarHBondContact CB-O 3Å |
| 180 | M | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.4 | -34.5 | 175.3 | -170.4 | -171.3 | -67.3 | 0 | 0 | 112.2 | F57 F132 I136 T176 F177 L178 A182 F183 F184 Y234 L238 F246 | F57-M180 HydrophobicContact CE1-CB 4.4Å; F57-M180 HydrophobicContact CE1-SD 4.37Å; F57-M180 HydrophobicContact CZ-CB 4.26Å; F57-M180 HydrophobicContact CZ-CG 3.94Å; F57-M180 HydrophobicContact CZ-SD 3.82Å; F132-M180 HydrophobicContact CB-CE 3.98Å; F132-M180 HydrophobicContact CD1-CB 4.15Å; F132-M180 HydrophobicContact CD1-CE 3.52Å; F132-M180 HydrophobicContact CD1-CG 4.31Å; F132-M180 HydrophobicContact CE1-CB 3.62Å; F132-M180 HydrophobicContact CE1-CE 4.19Å; F132-M180 HydrophobicContact CE1-CG 4.1Å; F132-M180 HydrophobicContact CG-CE 3.82Å; F132-M180 HydrophobicContact CZ-CB 3.98Å; F132-M180 HydrophobicContact CZ-CG 4.24Å; I136-M180 HydrophobicContact CD1-CE 3.64Å; T176-M180 VanDerWaalsContact O-CB 3.23Å; T176-M180 WeakPolarHBondContact O-CB 3.33Å; T176-M180 PolarHBondContact O-N 3.32Å; F177-M180 HydrophobicContact CD1-CE 4.22Å; F177-M180 HydrophobicContact CE1-CE 4.46Å; F177-M180 WeakPolarHBondContact O-CB 3.48Å; F177-M180 PolarHBondContact O-N 3.48Å; L178-M180 VanDerWaalsContact C-N 3.3Å; M180-A182 PolarHBondContact O-N 2.91Å; M180-F183 WeakPolarHBondContact O-CD2 3.27Å; M180-F183 PolarHBondContact O-N 3.18Å; M180-F184 HydrophobicContact CG-CD2 4.1Å; M180-F184 HydrophobicContact CG-CE2 3.58Å; M180-F184 VanDerWaalsContact O-CD2 3.29Å; M180-F184 WeakPolarHBondContact O-CD2 3.42Å; M180-F184 HydrophobicContact SD-CE2 3.93Å; M180-F184 HydrophobicContact SD-CZ 4.47Å; M180-Y234 HydrophobicContact CE-CD2 4.39Å; M180-Y234 HydrophobicContact CE-CE2 3.98Å; M180-L238 HydrophobicContact SD-CD2 3.9Å; M180-F246 HydrophobicContact CE-CE1 4.18Å; M180-F246 HydrophobicContact CG-CE1 3.9Å; M180-F246 HydrophobicContact CG-CZ 3.79Å; M180-F246 HydrophobicContact SD-CE1 3.99Å; M180-F246 HydrophobicContact SD-CZ 4.48Å |
| 181 | V | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -54.4 | -26 | 177.6 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | F57 F177 L178 S179 F183 F184 C188 I189 L452 | F57-V181 HydrophobicContact CD1-CG2 3.84Å; F57-V181 HydrophobicContact CE1-CB 4.48Å; F57-V181 HydrophobicContact CE1-CG2 3.42Å; F57-V181 VanDerWaalsContact CE1-CG2 3.42Å; F57-V181 HydrophobicContact CZ-CG2 4.1Å; F177-V181 WeakPolarHBondContact O-CG2 3.42Å; F177-V181 PolarHBondContact O-N 3.45Å; F177-V181 VanDerWaalsContact O-N 3.1Å; L178-V181 WeakPolarHBondContact O-CB 3.25Å; L178-V181 PolarHBondContact O-N 3.38Å; S179-V181 VanDerWaalsContact C-N 3.3Å; S179-V181 PolarHBondContact O-N 3.38Å; V181-F183 PolarHBondContact O-N 2.81Å; V181-F184 PolarHBondContact O-N 3.13Å; V181-C188 HydrophobicContact CG2-CB 4.35Å; V181-I189 HydrophobicContact CG1-CB 4.03Å; V181-I189 HydrophobicContact CG1-CD1 4.42Å; V181-I189 HydrophobicContact CG2-CD1 4.27Å; V181-L452 HydrophobicContact CG1-CD1 4.26Å; V181-L452 HydrophobicContact CG1-CD2 3.73Å |
| 182 | A | 90.7 | Very high | 93.6 | Very high | 6 Ų | 6 | 12.3 Ų | 12.3 | 5% | 0.05 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -54.4 | -24.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S179 M180 R460 E461 | S179-A182 VanDerWaalsContact O-CB 3.23Å; S179-A182 WeakPolarHBondContact O-CB 2.86Å; S179-A182 PolarHBondContact O-N 3.39Å; M180-A182 PolarHBondContact O-N 2.91Å; A182-R460 HydrophobicContact CB-CB 3.62Å; A182-E461 HydrophobicContact CB-CB 4.13Å |
| 183 | F | 89.4 | Confident | 93.6 | Very high | 35 Ų | 35 | 11.5 Ų | 11.5 | 15% | 0.154 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -99.2 | 1.8 | -178.8 | -58.1 | -88.4 | 0 | 0 | 0 | 114 | F132 M180 V181 P241 H243 K245 F246 Q321 E461 | F132-F183 HydrophobicContact CE2-CD2 4.05Å; F132-F183 AromaticContact CE2-CE2 3.69Å; F132-F183 HydrophobicContact CE2-CE2 3.69Å; F132-F183 HydrophobicContact CE2-CZ 4.35Å; F132-F183 HydrophobicContact CZ-CD2 4.14Å; F132-F183 AromaticContact CZ-CE2 3.75Å; F132-F183 HydrophobicContact CZ-CE2 3.75Å; M180-F183 WeakPolarHBondContact O-CD2 3.27Å; M180-F183 PolarHBondContact O-N 3.18Å; V181-F183 PolarHBondContact O-N 2.81Å; F183-P241 HydrophobicContact CB-CG 4.09Å; F183-H243 AromaticContact CE1-CD2 3.73Å; F183-H243 AromaticContact CE1-CE1 3.86Å; F183-H243 AromaticContact CE1-NE2 3.61Å; F183-K245 HydrophobicContact CZ-CD 3.95Å; F183-F246 HydrophobicContact CB-CE2 4.15Å; F183-F246 HydrophobicContact CB-CZ 4.22Å; F183-F246 HydrophobicContact CD1-CE2 4.21Å; F183-F246 HydrophobicContact CD2-CE2 4.12Å; F183-F246 HydrophobicContact CD2-CZ 4.21Å; F183-F246 AromaticContact CG-CE2 3.9Å; F183-F246 HydrophobicContact CG-CE2 3.9Å; F183-F246 HydrophobicContact CG-CZ 4.23Å; F183-Q321 HydrophobicContact CE1-CG 3.58Å; F183-Q321 HydrophobicContact CE2-CG 4.09Å; F183-Q321 HydrophobicContact CZ-CB 4.24Å; F183-Q321 HydrophobicContact CZ-CG 3.28Å; F183-E461 HydrophobicContact CE2-CB 4.39Å; F183-E461 HydrophobicContact CE2-CG 4.2Å; F183-E461 WeakPolarHBondContact CZ-OE2 3.19Å |
| 184 | F | 89.9 | Confident | 93.4 | Very high | 27 Ų | 27 | 11.9 Ų | 11.9 | 12% | 0.118 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -126.5 | 171.2 | -173.6 | -69.3 | -94.4 | 0 | 0 | 0 | 112.1 | N53 F57 M180 V181 C188 L238 D239 P241 F246 | N53-F184 HydrophobicContact CB-CD1 4.08Å; N53-F184 HydrophobicContact CB-CE1 4.41Å; N53-F184 WeakPolarHBondContact ND2-CD1 3.27Å; F57-F184 HydrophobicContact CE2-CB 4.09Å; F57-F184 AromaticContact CE2-CD1 3.88Å; F57-F184 HydrophobicContact CE2-CD1 3.88Å; F57-F184 AromaticContact CE2-CD2 3.66Å; F57-F184 HydrophobicContact CE2-CD2 3.66Å; F57-F184 HydrophobicContact CE2-CE1 4.18Å; F57-F184 AromaticContact CE2-CE2 4Å; F57-F184 HydrophobicContact CE2-CE2 4Å; F57-F184 AromaticContact CE2-CG 3.6Å; F57-F184 HydrophobicContact CE2-CG 3.6Å; F57-F184 HydrophobicContact CE2-CZ 4.23Å; F57-F184 HydrophobicContact CZ-CB 4.43Å; F57-F184 AromaticContact CZ-CD2 3.61Å; F57-F184 HydrophobicContact CZ-CD2 3.61Å; F57-F184 AromaticContact CZ-CE2 3.96Å; F57-F184 HydrophobicContact CZ-CE2 3.96Å; F57-F184 AromaticContact CZ-CG 3.99Å; F57-F184 HydrophobicContact CZ-CG 3.99Å; M180-F184 HydrophobicContact CG-CD2 4.1Å; M180-F184 HydrophobicContact CG-CE2 3.58Å; M180-F184 VanDerWaalsContact O-CD2 3.29Å; M180-F184 WeakPolarHBondContact O-CD2 3.42Å; M180-F184 HydrophobicContact SD-CE2 3.93Å; M180-F184 HydrophobicContact SD-CZ 4.47Å; V181-F184 PolarHBondContact O-N 3.13Å; F184-C188 HydrophobicContact CB-CB 4.18Å; F184-L238 HydrophobicContact CE1-CD1 3.67Å; F184-L238 HydrophobicContact CE1-CG 4.26Å; F184-L238 HydrophobicContact CZ-CD1 3.75Å; F184-L238 HydrophobicContact CZ-CD2 4.05Å; F184-L238 HydrophobicContact CZ-CG 4.05Å; F184-D239 WeakPolarHBondContact CE1-O 3.36Å; F184-P241 HydrophobicContact CE2-CG 4.43Å; F184-P241 VanDerWaalsContact CZ-CD 3.44Å; F184-P241 HydrophobicContact CZ-CG 4.31Å; F184-F246 HydrophobicContact CE2-CE1 4.09Å; F184-F246 AromaticContact CE2-CZ 3.85Å; F184-F246 HydrophobicContact CE2-CZ 3.85Å; F184-F246 HydrophobicContact CZ-CE1 4.31Å; F184-F246 HydrophobicContact CZ-CZ 4.4Å |
| 185 | D | 86.6 | Confident | 93.4 | Very high | 65 Ų | 65 | 11.5 Ų | 11.5 | 35% | 0.348 | 6% | 0.058 | S | C | . | . | trans | -59.1 | 141.4 | 174.3 | -175.3 | 101.7 | 0 | 0 | 0 | 110.5 | K50 S187 C188 | K50-D185 WeakPolarHBondContact CE-OD1 3.42Å; K50-D185 IonicContact NZ-OD1 3.75Å; K50-D185 PolarHBondContact NZ-OD1 2.85Å; D185-S187 PolarHBondContact O-N 2.94Å; D185-S187 VanDerWaalsContact OD2-CB 3.22Å; D185-S187 WeakPolarHBondContact OD2-CB 3.26Å; D185-S187 PolarHBondContact OD2-N 3.42Å; D185-S187 PolarHBondContact OD2-OG 3.3Å; D185-C188 VanDerWaalsContact O-CB 3.22Å; D185-C188 WeakPolarHBondContact O-CB 3.01Å; D185-C188 PolarHBondContact O-N 3.46Å; D185-C188 PolarHBondContact O-SG 2.94Å | ||
| 186 | K | 85.9 | Confident | 93.3 | Very high | 73 Ų | 73 | 11.8 Ų | 11.8 | 32% | 0.317 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.8 | -178 | -62.1 | -179.5 | -179.4 | 174 | 0 | 112.7 | C188 I189 Y449 L452 Q453 | K186-C188 PolarHBondContact O-N 3.45Å; K186-C188 VanDerWaalsContact O-N 3.12Å; K186-I189 WeakPolarHBondContact O-CG2 2.96Å; K186-I189 PolarHBondContact O-N 2.67Å; K186-I189 VanDerWaalsContact O-N 3.14Å; K186-Y449 HydrophobicContact CB-CE2 4.16Å; K186-L452 HydrophobicContact CB-CD2 4.17Å; K186-L452 HydrophobicContact CG-CD2 3.93Å; K186-Q453 HydrophobicContact CD-CG 4.22Å |
| 187 | S | 88.7 | Confident | 93 | Very high | 24 Ų | 24 | 11.8 Ų | 11.8 | 17% | 0.168 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.8 | -23 | 174.4 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | D185 I189 S190 A191 | D185-S187 PolarHBondContact O-N 2.94Å; D185-S187 VanDerWaalsContact OD2-CB 3.22Å; D185-S187 WeakPolarHBondContact OD2-CB 3.26Å; D185-S187 PolarHBondContact OD2-N 3.42Å; D185-S187 PolarHBondContact OD2-OG 3.3Å; S187-I189 VanDerWaalsContact C-N 3.29Å; S187-I189 PolarHBondContact O-N 2.95Å; S187-S190 WeakPolarHBondContact O-CB 3.38Å; S187-S190 PolarHBondContact O-N 3.1Å; S187-A191 PolarHBondContact O-N 3.01Å |
| 188 | C | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.4 | -30.6 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | F57 V181 F184 D185 K186 S190 A191 W192 | F57-C188 HydrophobicContact CB-CB 4.21Å; F57-C188 HydrophobicContact CD1-CB 4.23Å; F57-C188 HydrophobicContact CD2-CB 3.58Å; F57-C188 HydrophobicContact CE2-CB 3.94Å; F57-C188 HydrophobicContact CG-CB 3.74Å; F57-C188 HydrophobicContact CZ-CB 4.4Å; V181-C188 HydrophobicContact CG2-CB 4.35Å; F184-C188 HydrophobicContact CB-CB 4.18Å; D185-C188 VanDerWaalsContact O-CB 3.22Å; D185-C188 WeakPolarHBondContact O-CB 3.01Å; D185-C188 PolarHBondContact O-N 3.46Å; D185-C188 PolarHBondContact O-SG 2.94Å; K186-C188 PolarHBondContact O-N 3.45Å; K186-C188 VanDerWaalsContact O-N 3.12Å; C188-S190 VanDerWaalsContact C-N 3.32Å; C188-S190 PolarHBondContact O-N 3.43Å; C188-A191 PolarHBondContact O-N 3.02Å; C188-W192 WeakPolarHBondContact O-CB 3.48Å; C188-W192 PolarHBondContact O-N 3.47Å |
| 189 | I | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 174.9 | -163.2 | 57 | 0 | 0 | 0 | 111.5 | L178 V181 K186 S187 S193 F448 Y449 M464 | L178-I189 HydrophobicContact CD2-CD1 3.26Å; V181-I189 HydrophobicContact CG1-CB 4.03Å; V181-I189 HydrophobicContact CG1-CD1 4.42Å; V181-I189 HydrophobicContact CG2-CD1 4.27Å; K186-I189 WeakPolarHBondContact O-CG2 2.96Å; K186-I189 PolarHBondContact O-N 2.67Å; K186-I189 VanDerWaalsContact O-N 3.14Å; S187-I189 VanDerWaalsContact C-N 3.29Å; S187-I189 PolarHBondContact O-N 2.95Å; I189-S193 VanDerWaalsContact O-CB 3.26Å; I189-S193 WeakPolarHBondContact O-CB 3.35Å; I189-S193 PolarHBondContact O-N 2.94Å; I189-S193 PolarHBondContact O-OG 3.25Å; I189-F448 HydrophobicContact CD1-CB 3.89Å; I189-F448 HydrophobicContact CD1-CG 4.46Å; I189-F448 HydrophobicContact CG1-CB 3.88Å; I189-Y449 HydrophobicContact CG2-CD2 3.44Å; I189-Y449 VanDerWaalsContact CG2-CD2 3.44Å; I189-Y449 HydrophobicContact CG2-CE2 4.18Å; I189-Y449 HydrophobicContact CG2-CG 4.35Å; I189-M464 HydrophobicContact CD1-CE 3.65Å; I189-M464 HydrophobicContact CG1-CE 4.44Å |
| 190 | S | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | S187 C188 S193 C194 V392 N393 | S187-S190 WeakPolarHBondContact O-CB 3.38Å; S187-S190 PolarHBondContact O-N 3.1Å; C188-S190 VanDerWaalsContact C-N 3.32Å; C188-S190 PolarHBondContact O-N 3.43Å; S190-S193 PolarHBondContact O-N 3.43Å; S190-C194 WeakPolarHBondContact O-CB 3.35Å; S190-C194 PolarHBondContact O-N 2.91Å; S190-V392 VanDerWaalsContact CB-CG1 3.47Å; S190-N393 VanDerWaalsContact CB-ND2 3.27Å; S190-N393 WeakPolarHBondContact CB-ND2 3.21Å; S190-N393 PolarHBondContact OG-ND2 3.45Å; S190-N393 VanDerWaalsContact OG-ND2 3.11Å |
| 191 | A | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y54 F57 W58 S187 C188 S193 C194 G195 | Y54-A191 HydrophobicContact CD1-CB 4.09Å; Y54-A191 HydrophobicContact CD2-CB 3.62Å; Y54-A191 HydrophobicContact CE1-CB 4.11Å; Y54-A191 HydrophobicContact CE2-CB 3.64Å; Y54-A191 HydrophobicContact CG-CB 3.84Å; Y54-A191 VanDerWaalsContact O-CB 3.24Å; Y54-A191 WeakPolarHBondContact O-CB 3.04Å; F57-A191 HydrophobicContact CB-CB 3.99Å; W58-A191 WeakPolarHBondContact CA-O 3.32Å; W58-A191 HydrophobicContact CB-CB 4.22Å; S187-A191 PolarHBondContact O-N 3.01Å; C188-A191 PolarHBondContact O-N 3.02Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 3.43Å; A191-C194 WeakPolarHBondContact O-CB 3.46Å; A191-C194 PolarHBondContact O-N 2.88Å; A191-G195 PolarHBondContact O-N 3.4Å |
| 192 | W | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.3 | -50.4 | 173.5 | 167.1 | -93.6 | 0 | 0 | 0 | 112.1 | F57 F60 G61 N64 D174 F177 L178 C188 C194 G195 T196 Y444 | F57-W192 HydrophobicContact CB-CB 4.47Å; F57-W192 HydrophobicContact CD1-CB 4.33Å; F57-W192 WeakPolarHBondContact O-CA 3.44Å; F60-W192 HydrophobicContact CB-CE3 3.83Å; F60-W192 HydrophobicContact CB-CZ3 3.71Å; F60-W192 VanDerWaalsContact O-CZ3 3.27Å; F60-W192 WeakPolarHBondContact O-CZ3 3.47Å; G61-W192 VanDerWaalsContact CA-CZ3 3.45Å; G61-W192 VanDerWaalsContact N-CZ3 3.3Å; N64-W192 HydrophobicContact CB-CH2 3.68Å; N64-W192 HydrophobicContact CB-CZ3 4.14Å; D174-W192 WeakPolarHBondContact OD1-CZ2 3.46Å; F177-W192 HydrophobicContact CB-CD2 4.25Å; F177-W192 HydrophobicContact CB-CE3 3.55Å; F177-W192 HydrophobicContact CB-CH2 3.68Å; F177-W192 HydrophobicContact CB-CZ2 4.35Å; F177-W192 HydrophobicContact CB-CZ3 3.22Å; F177-W192 HydrophobicContact CD1-CZ3 4.49Å; F177-W192 HydrophobicContact CD2-CE3 4.37Å; F177-W192 AromaticContact CD2-CH2 3.61Å; F177-W192 HydrophobicContact CD2-CH2 3.61Å; F177-W192 AromaticContact CD2-CZ3 3.31Å; F177-W192 HydrophobicContact CD2-CZ3 3.31Å; F177-W192 HydrophobicContact CE2-CZ3 4.27Å; F177-W192 HydrophobicContact CG-CE3 4.11Å; F177-W192 HydrophobicContact CG-CH2 4.03Å; F177-W192 AromaticContact CG-CZ3 3.45Å; F177-W192 HydrophobicContact CG-CZ3 3.45Å; F177-W192 VanDerWaalsContact CG-CZ3 3.45Å; L178-W192 HydrophobicContact CD2-CG 4.35Å; L178-W192 HydrophobicContact CG-CZ2 4.45Å; C188-W192 WeakPolarHBondContact O-CB 3.48Å; C188-W192 PolarHBondContact O-N 3.47Å; W192-C194 VanDerWaalsContact C-N 3.32Å; W192-C194 PolarHBondContact O-N 3.27Å; W192-G195 PolarHBondContact O-N 2.94Å; W192-T196 HydrophobicContact CD2-CG2 4.23Å; W192-T196 HydrophobicContact CH2-CG2 4.44Å; W192-T196 HydrophobicContact CZ2-CG2 3.82Å; W192-T196 WeakPolarHBondContact O-CG2 3.3Å; W192-T196 PolarHBondContact O-N 3.41Å; W192-T196 PolarHBondContact O-OG1 3.18Å; W192-Y444 PolarHBondContact NE1-OH 3.34Å |
| 193 | S | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | -179.6 | -57 | 0 | 0 | 0 | 0 | 111.7 | I189 S190 A191 T196 G197 R389 Y444 | I189-S193 VanDerWaalsContact O-CB 3.26Å; I189-S193 WeakPolarHBondContact O-CB 3.35Å; I189-S193 PolarHBondContact O-N 2.94Å; I189-S193 PolarHBondContact O-OG 3.25Å; S190-S193 PolarHBondContact O-N 3.43Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 3.43Å; S193-T196 WeakPolarHBondContact CA-OG1 2.94Å; S193-T196 PolarHBondContact O-OG1 3.19Å; S193-G197 PolarHBondContact O-N 3.47Å; S193-G197 VanDerWaalsContact O-N 3.12Å; S193-R389 WeakPolarHBondContact O-CB 3.41Å; S193-R389 WeakPolarHBondContact O-CD 3.36Å; S193-Y444 WeakPolarHBondContact OG-CE1 3.17Å |
| 194 | C | 94.6 | Very high | 92 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | W58 S190 A191 W192 T196 G197 A198 F386 S390 | W58-C194 VanDerWaalsContact CD1-SG 3.59Å; W58-C194 PolarHBondContact NE1-SG 3.1Å; W58-C194 VanDerWaalsContact NE1-SG 3.36Å; S190-C194 WeakPolarHBondContact O-CB 3.35Å; S190-C194 PolarHBondContact O-N 2.91Å; A191-C194 WeakPolarHBondContact O-CB 3.46Å; A191-C194 PolarHBondContact O-N 2.88Å; W192-C194 VanDerWaalsContact C-N 3.32Å; W192-C194 PolarHBondContact O-N 3.27Å; C194-T196 PolarHBondContact O-N 3.05Å; C194-G197 PolarHBondContact O-N 3.14Å; C194-A198 PolarHBondContact O-N 3.2Å; C194-F386 WeakPolarHBondContact SG-CE2 3.31Å; C194-S390 PolarHBondContact SG-OG 3.17Å |
| 195 | G | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W58 G61 L62 A191 W192 G197 A198 A199 | W58-G195 VanDerWaalsContact O-CA 3.25Å; W58-G195 WeakPolarHBondContact O-CA 3.14Å; G61-G195 VanDerWaalsContact C-C 3.43Å; L62-G195 WeakPolarHBondContact CA-O 3.3Å; L62-G195 PolarHBondContact N-O 3.15Å; A191-G195 PolarHBondContact O-N 3.4Å; W192-G195 PolarHBondContact O-N 2.94Å; G195-G197 VanDerWaalsContact C-N 3.33Å; G195-G197 PolarHBondContact O-N 2.94Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CB 3.49Å; G195-A198 PolarHBondContact O-N 2.97Å; G195-A199 PolarHBondContact O-N 2.83Å |
| 196 | T | 94.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.1 | -34.8 | 176.8 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | G61 N65 W192 S193 C194 A199 R389 | G61-T196 WeakPolarHBondContact O-CA 3.18Å; G61-T196 WeakPolarHBondContact O-CG2 3.38Å; N65-T196 WeakPolarHBondContact ND2-CG2 3.39Å; W192-T196 HydrophobicContact CD2-CG2 4.23Å; W192-T196 HydrophobicContact CH2-CG2 4.44Å; W192-T196 HydrophobicContact CZ2-CG2 3.82Å; W192-T196 WeakPolarHBondContact O-CG2 3.3Å; W192-T196 PolarHBondContact O-N 3.41Å; W192-T196 PolarHBondContact O-OG1 3.18Å; S193-T196 WeakPolarHBondContact CA-OG1 2.94Å; S193-T196 PolarHBondContact O-OG1 3.19Å; C194-T196 PolarHBondContact O-N 3.05Å; T196-A199 WeakPolarHBondContact O-CB 3.32Å; T196-A199 PolarHBondContact O-N 2.63Å; T196-R389 VanDerWaalsContact CB-NH1 3.28Å; T196-R389 PolarHBondContact OG1-NH1 3.37Å |
| 197 | G | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | S193 C194 G195 A199 G200 | S193-G197 PolarHBondContact O-N 3.47Å; S193-G197 VanDerWaalsContact O-N 3.12Å; C194-G197 PolarHBondContact O-N 3.14Å; G195-G197 VanDerWaalsContact C-N 3.33Å; G195-G197 PolarHBondContact O-N 2.94Å; G197-A199 VanDerWaalsContact C-N 3.28Å; G197-A199 PolarHBondContact O-N 3.41Å; G197-G200 PolarHBondContact O-N 3.43Å |
| 198 | A | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.033 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -31.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W58 C194 G195 G200 L201 I202 F386 | W58-A198 HydrophobicContact CZ2-CB 4.09Å; C194-A198 PolarHBondContact O-N 3.2Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CB 3.49Å; G195-A198 PolarHBondContact O-N 2.97Å; A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 3.37Å; A198-L201 PolarHBondContact O-N 2.72Å; A198-I202 HydrophobicContact CB-CD1 4.05Å; A198-I202 WeakPolarHBondContact O-CB 3.21Å; A198-I202 WeakPolarHBondContact O-CG1 3.38Å; A198-I202 PolarHBondContact O-N 2.92Å; A198-F386 HydrophobicContact CB-CD2 4.06Å; A198-F386 HydrophobicContact CB-CE2 4.06Å |
| 199 | A | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N65 G195 T196 G197 G203 | N65-A199 HydrophobicContact CB-CB 3.81Å; G195-A199 PolarHBondContact O-N 2.83Å; T196-A199 WeakPolarHBondContact O-CB 3.32Å; T196-A199 PolarHBondContact O-N 2.63Å; G197-A199 VanDerWaalsContact C-N 3.28Å; G197-A199 PolarHBondContact O-N 3.41Å; A199-G203 WeakPolarHBondContact O-CA 3.21Å; A199-G203 PolarHBondContact O-N 2.96Å |
| 200 | G | 87.2 | Confident | 91.9 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G197 A198 S204 | G197-G200 PolarHBondContact O-N 3.43Å; A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 3.37Å; G200-S204 WeakPolarHBondContact O-CB 3.38Å; G200-S204 PolarHBondContact O-N 3.22Å; G200-S204 PolarHBondContact O-OG 3.32Å |
| 201 | L | 87.8 | Confident | 91.7 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 24% | 0.236 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.4 | -51.8 | 178.6 | -177.2 | 64.1 | 0 | 0 | 0 | 112 | A198 S204 L205 Q382 | A198-L201 PolarHBondContact O-N 2.72Å; L201-S204 PolarHBondContact O-OG 3.36Å; L201-S204 VanDerWaalsContact O-OG 3.14Å; L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.42Å; L201-L205 HydrophobicContact CG-CD1 4.02Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3Å; L201-Q382 HydrophobicContact CB-CB 4.32Å |
| 202 | I | 92.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 31.3 Ų | 31.3 | 35% | 0.349 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.3 | -43.3 | -175.6 | -63.1 | 174.5 | 0 | 0 | 0 | 110.1 | L62 F66 A198 S204 L205 Y206 | L62-I202 HydrophobicContact CD1-CD1 3.77Å; F66-I202 HydrophobicContact CE2-CG2 4.24Å; A198-I202 HydrophobicContact CB-CD1 4.05Å; A198-I202 WeakPolarHBondContact O-CB 3.21Å; A198-I202 WeakPolarHBondContact O-CG1 3.38Å; A198-I202 PolarHBondContact O-N 2.92Å; I202-S204 PolarHBondContact O-N 2.96Å; I202-L205 PolarHBondContact O-N 3.48Å; I202-Y206 WeakPolarHBondContact O-CA 3.33Å; I202-Y206 WeakPolarHBondContact O-CB 3.31Å; I202-Y206 PolarHBondContact O-N 2.77Å |
| 203 | G | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I70 A199 Y206 Y207 | I70-G203 VanDerWaalsContact CD1-O 3.27Å; I70-G203 WeakPolarHBondContact CD1-O 3.41Å; A199-G203 WeakPolarHBondContact O-CA 3.21Å; A199-G203 PolarHBondContact O-N 2.96Å; G203-Y206 PolarHBondContact O-N 3.5Å; G203-Y207 WeakPolarHBondContact O-CB 3.28Å; G203-Y207 PolarHBondContact O-N 3.13Å |
| 204 | S | 87.4 | Confident | 91.1 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 178.3 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | G200 L201 I202 Y206 Y207 V208 | G200-S204 WeakPolarHBondContact O-CB 3.38Å; G200-S204 PolarHBondContact O-N 3.22Å; G200-S204 PolarHBondContact O-OG 3.32Å; L201-S204 PolarHBondContact O-OG 3.36Å; L201-S204 VanDerWaalsContact O-OG 3.14Å; I202-S204 PolarHBondContact O-N 2.96Å; S204-Y206 VanDerWaalsContact C-N 3.32Å; S204-Y206 PolarHBondContact O-N 3.13Å; S204-Y207 PolarHBondContact O-N 3.34Å; S204-V208 WeakPolarHBondContact O-CG2 3.13Å; S204-V208 PolarHBondContact O-N 3.18Å |
| 205 | L | 89.6 | Confident | 90.9 | Very high | 105 Ų | 105 | 41.3 Ų | 41.3 | 55% | 0.55 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 176.3 | -70.1 | 176 | 0 | 0 | 0 | 112.3 | L201 I202 G209 | L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.42Å; L201-L205 HydrophobicContact CG-CD1 4.02Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3Å; I202-L205 PolarHBondContact O-N 3.48Å; L205-G209 PolarHBondContact O-N 3.4Å |
| 206 | Y | 90.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 179 | -168.3 | -101 | 0 | 0 | 0 | 111.3 | F66 I202 G203 S204 L210 V223 | F66-Y206 HydrophobicContact CE1-CD1 4.17Å; F66-Y206 AromaticContact CZ-CD1 3.75Å; F66-Y206 HydrophobicContact CZ-CD1 3.75Å; F66-Y206 HydrophobicContact CZ-CE1 4.45Å; F66-Y206 HydrophobicContact CZ-CG 4.08Å; I202-Y206 WeakPolarHBondContact O-CA 3.33Å; I202-Y206 WeakPolarHBondContact O-CB 3.31Å; I202-Y206 PolarHBondContact O-N 2.77Å; G203-Y206 PolarHBondContact O-N 3.5Å; S204-Y206 VanDerWaalsContact C-N 3.32Å; S204-Y206 PolarHBondContact O-N 3.13Å; Y206-L210 HydrophobicContact CD1-CD1 3.71Å; Y206-L210 HydrophobicContact CD1-CG 4.47Å; Y206-L210 HydrophobicContact CE1-CD1 3.25Å; Y206-L210 HydrophobicContact CE1-CG 4.27Å; Y206-L210 HydrophobicContact CE2-CD1 4.41Å; Y206-L210 HydrophobicContact CG-CD1 4.46Å; Y206-L210 WeakPolarHBondContact O-CB 3.37Å; Y206-L210 WeakPolarHBondContact O-CG 3.3Å; Y206-L210 PolarHBondContact O-N 3.2Å; Y206-V223 HydrophobicContact CD1-CG2 3.99Å; Y206-V223 HydrophobicContact CE1-CG2 3.77Å |
| 207 | Y | 89.7 | Confident | 90.4 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -54.7 | 175.5 | -175.2 | -104.7 | 0 | 0 | 0 | 111.6 | I70 A74 D77 G203 S204 G209 L210 T211 T219 L220 | I70-Y207 HydrophobicContact CD1-CD2 4.34Å; I70-Y207 HydrophobicContact CD1-CG 4.46Å; I70-Y207 HydrophobicContact CG2-CD2 4.08Å; A74-Y207 WeakPolarHBondContact CA-OH 3.45Å; A74-Y207 HydrophobicContact CB-CE1 4.29Å; A74-Y207 HydrophobicContact CB-CE2 3.8Å; A74-Y207 WeakPolarHBondContact CB-OH 3.41Å; D77-Y207 PolarHBondContact OD2-OH 3.49Å; D77-Y207 VanDerWaalsContact OD2-OH 3.05Å; G203-Y207 WeakPolarHBondContact O-CB 3.28Å; G203-Y207 PolarHBondContact O-N 3.13Å; S204-Y207 PolarHBondContact O-N 3.34Å; Y207-G209 VanDerWaalsContact C-N 3.3Å; Y207-G209 PolarHBondContact O-N 3.35Å; Y207-L210 PolarHBondContact O-N 2.89Å; Y207-T211 HydrophobicContact CD1-CG2 4.3Å; Y207-T211 HydrophobicContact CD2-CG2 4.26Å; Y207-T211 HydrophobicContact CE1-CG2 3.89Å; Y207-T211 HydrophobicContact CE2-CG2 3.84Å; Y207-T211 HydrophobicContact CG-CG2 4.47Å; Y207-T211 WeakPolarHBondContact O-CG2 3.48Å; Y207-T211 PolarHBondContact O-N 3.44Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; Y207-T219 HydrophobicContact CD2-CG2 3.71Å; Y207-T219 HydrophobicContact CE2-CG2 3.93Å; Y207-L220 HydrophobicContact CE2-CD2 4.42Å |
| 208 | V | 86.8 | Confident | 90.5 | Very high | 93 Ų | 93 | 50 Ų | 50 | 56% | 0.564 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | -179.3 | 173 | 0 | 0 | 0 | 0 | 111.5 | S204 T211 S212 | S204-V208 WeakPolarHBondContact O-CG2 3.13Å; S204-V208 PolarHBondContact O-N 3.18Å; V208-T211 WeakPolarHBondContact CA-OG1 3.48Å; V208-T211 PolarHBondContact O-OG1 3.32Å; V208-S212 PolarHBondContact O-N 2.88Å; V208-S212 VanDerWaalsContact O-N 3.11Å |
| 209 | G | 89.3 | Confident | 90.5 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L205 Y207 S212 | L205-G209 PolarHBondContact O-N 3.4Å; Y207-G209 VanDerWaalsContact C-N 3.3Å; Y207-G209 PolarHBondContact O-N 3.35Å; G209-S212 PolarHBondContact O-N 3.44Å; G209-S212 PolarHBondContact O-OG 3.4Å |
| 210 | L | 91.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72 | -39.4 | 179.4 | -74.2 | 179.5 | 0 | 0 | 0 | 113.3 | Y206 Y207 S212 V213 T214 T219 I222 V223 | Y206-L210 HydrophobicContact CD1-CD1 3.71Å; Y206-L210 HydrophobicContact CD1-CG 4.47Å; Y206-L210 HydrophobicContact CE1-CD1 3.25Å; Y206-L210 HydrophobicContact CE1-CG 4.27Å; Y206-L210 HydrophobicContact CE2-CD1 4.41Å; Y206-L210 HydrophobicContact CG-CD1 4.46Å; Y206-L210 WeakPolarHBondContact O-CB 3.37Å; Y206-L210 WeakPolarHBondContact O-CG 3.3Å; Y206-L210 PolarHBondContact O-N 3.2Å; Y207-L210 PolarHBondContact O-N 2.89Å; L210-S212 PolarHBondContact O-N 3.16Å; L210-V213 WeakPolarHBondContact O-CG2 3.41Å; L210-V213 PolarHBondContact O-N 3.39Å; L210-V213 VanDerWaalsContact O-N 3.14Å; L210-T214 PolarHBondContact O-N 2.9Å; L210-T214 PolarHBondContact O-OG1 3.5Å; L210-T219 HydrophobicContact CB-CG2 3.67Å; L210-T219 HydrophobicContact CD1-CG2 4.01Å; L210-I222 HydrophobicContact CD1-CB 4.44Å; L210-I222 HydrophobicContact CD1-CG2 3.96Å; L210-V223 HydrophobicContact CD1-CG2 4.36Å |
| 211 | T | 88.7 | Confident | 90.9 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.3 | -15 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | Y207 V208 V213 T214 P216 T219 | Y207-T211 HydrophobicContact CD1-CG2 4.3Å; Y207-T211 HydrophobicContact CD2-CG2 4.26Å; Y207-T211 HydrophobicContact CE1-CG2 3.89Å; Y207-T211 HydrophobicContact CE2-CG2 3.84Å; Y207-T211 HydrophobicContact CG-CG2 4.47Å; Y207-T211 WeakPolarHBondContact O-CG2 3.48Å; Y207-T211 PolarHBondContact O-N 3.44Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; V208-T211 WeakPolarHBondContact CA-OG1 3.48Å; V208-T211 PolarHBondContact O-OG1 3.32Å; T211-V213 VanDerWaalsContact C-N 3.25Å; T211-V213 PolarHBondContact O-N 3.44Å; T211-T214 CarbonylContact C-O 3.55Å; T211-T214 WeakPolarHBondContact CA-O 3.48Å; T211-P216 HydrophobicContact CG2-CG 4.41Å; T211-T219 HydrophobicContact CG2-CG2 4.06Å; T211-T219 WeakPolarHBondContact CG2-OG1 3.24Å |
| 212 | S | 89.8 | Confident | 91.3 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.2 | 170.4 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | V208 G209 L210 | V208-S212 PolarHBondContact O-N 2.88Å; V208-S212 VanDerWaalsContact O-N 3.11Å; G209-S212 PolarHBondContact O-N 3.44Å; G209-S212 PolarHBondContact O-OG 3.4Å; L210-S212 PolarHBondContact O-N 3.16Å |
| 213 | V | 92.9 | Very high | 91.4 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 70% | 0.697 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | -14.2 | -176.9 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | L210 T211 | L210-V213 WeakPolarHBondContact O-CG2 3.41Å; L210-V213 PolarHBondContact O-N 3.39Å; L210-V213 VanDerWaalsContact O-N 3.14Å; T211-V213 VanDerWaalsContact C-N 3.25Å; T211-V213 PolarHBondContact O-N 3.44Å |
| 214 | T | 92.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -134.8 | 170.7 | 179.5 | 66.8 | 0 | 0 | 0 | 0 | 111 | L210 T211 I218 T219 I222 | L210-T214 PolarHBondContact O-N 2.9Å; L210-T214 PolarHBondContact O-OG1 3.5Å; T211-T214 CarbonylContact C-O 3.55Å; T211-T214 WeakPolarHBondContact CA-O 3.48Å; T214-I218 HydrophobicContact CG2-CG2 4.19Å; T214-T219 PolarHBondContact OG1-OG1 3.17Å; T214-I222 HydrophobicContact CG2-CD1 4.42Å |
| 215 | T | 90.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | trans | -78.7 | 157.8 | 172.4 | 78.2 | 0 | 0 | 0 | 0 | 111.1 | E217 I218 T219 | T215-E217 WeakPolarHBondContact CB-OE2 3.1Å; T215-E217 PolarHBondContact O-N 3.12Å; T215-E217 PolarHBondContact OG1-OE2 3.46Å; T215-I218 PolarHBondContact O-N 3.43Å; T215-I218 PolarHBondContact OG1-N 3.33Å; T215-T219 WeakPolarHBondContact O-CB 3.31Å; T215-T219 PolarHBondContact O-N 3.35Å; T215-T219 PolarHBondContact O-OG1 2.88Å; T215-T219 VanDerWaalsContact O-OG1 3.1Å | ||
| 216 | P | 89.2 | Confident | 92.4 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 25% | 0.253 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.1 | -38.6 | 174 | -29.4 | 37.4 | 0 | 0 | 0 | 113.5 | D77 T211 T219 L220 | D77-P216 HydrophobicContact CB-CG 4.24Å; T211-P216 HydrophobicContact CG2-CG 4.41Å; P216-T219 WeakPolarHBondContact O-CB 3.18Å; P216-T219 PolarHBondContact O-N 3.01Å; P216-L220 VanDerWaalsContact O-CG 3.26Å; P216-L220 WeakPolarHBondContact O-CG 3.3Å; P216-L220 PolarHBondContact O-N 3.13Å |
| 217 | E | 91.5 | Very high | 92.8 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 179.3 | -60.7 | 76.2 | -165.4 | 0 | 0 | 112 | K81 S151 T215 L220 C221 | K81-E217 IonicContact NZ-OE1 3.8Å; K81-E217 PolarHBondContact NZ-OE1 3.48Å; S151-E217 WeakPolarHBondContact O-CG 3.46Å; S151-E217 PolarHBondContact OG-O 2.98Å; T215-E217 WeakPolarHBondContact CB-OE2 3.1Å; T215-E217 PolarHBondContact O-N 3.12Å; T215-E217 PolarHBondContact OG1-OE2 3.46Å; E217-L220 PolarHBondContact O-N 2.95Å; E217-C221 PolarHBondContact O-N 3.01Å |
| 218 | I | 93.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 46% | 0.456 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 178.2 | -64.8 | 173.1 | 0 | 0 | 0 | 109.8 | T214 T215 L220 C221 I222 | T214-I218 HydrophobicContact CG2-CG2 4.19Å; T215-I218 PolarHBondContact O-N 3.43Å; T215-I218 PolarHBondContact OG1-N 3.33Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 3.44Å; I218-C221 WeakPolarHBondContact O-CB 3.35Å; I218-C221 PolarHBondContact O-N 3.37Å; I218-I222 HydrophobicContact CG2-CD1 3.85Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 WeakPolarHBondContact O-CG1 3.32Å; I218-I222 PolarHBondContact O-N 3.38Å |
| 219 | T | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.5 | -48.4 | 175.8 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | Y207 L210 T211 T214 T215 P216 C221 I222 V223 | Y207-T219 HydrophobicContact CD2-CG2 3.71Å; Y207-T219 HydrophobicContact CE2-CG2 3.93Å; L210-T219 HydrophobicContact CB-CG2 3.67Å; L210-T219 HydrophobicContact CD1-CG2 4.01Å; T211-T219 HydrophobicContact CG2-CG2 4.06Å; T211-T219 WeakPolarHBondContact CG2-OG1 3.24Å; T214-T219 PolarHBondContact OG1-OG1 3.17Å; T215-T219 WeakPolarHBondContact O-CB 3.31Å; T215-T219 PolarHBondContact O-N 3.35Å; T215-T219 PolarHBondContact O-OG1 2.88Å; T215-T219 VanDerWaalsContact O-OG1 3.1Å; P216-T219 WeakPolarHBondContact O-CB 3.18Å; P216-T219 PolarHBondContact O-N 3.01Å; T219-C221 VanDerWaalsContact C-N 3.32Å; T219-C221 PolarHBondContact O-N 2.87Å; T219-I222 PolarHBondContact O-N 3.43Å; T219-I222 VanDerWaalsContact O-N 3.15Å; T219-V223 HydrophobicContact CG2-CG2 4.32Å; T219-V223 VanDerWaalsContact O-CG2 3.28Å; T219-V223 WeakPolarHBondContact O-CG2 3.32Å; T219-V223 PolarHBondContact O-N 3.49Å |
| 220 | L | 93.9 | Very high | 94 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 179.3 | -68.6 | 176 | 0 | 0 | 0 | 112.3 | I70 M71 F147 V150 Y207 P216 E217 I218 V223 I224 | I70-L220 HydrophobicContact CG2-CD2 3.56Å; M71-L220 HydrophobicContact CE-CD2 3.71Å; F147-L220 HydrophobicContact CD1-CD2 4.05Å; V150-L220 HydrophobicContact CB-CD1 3.92Å; V150-L220 HydrophobicContact CG1-CD1 3.51Å; Y207-L220 HydrophobicContact CE2-CD2 4.42Å; P216-L220 VanDerWaalsContact O-CG 3.26Å; P216-L220 WeakPolarHBondContact O-CG 3.3Å; P216-L220 PolarHBondContact O-N 3.13Å; E217-L220 PolarHBondContact O-N 2.95Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 3.44Å; L220-V223 PolarHBondContact O-N 3.17Å; L220-I224 PolarHBondContact O-N 2.6Å |
| 221 | C | 95.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 32% | 0.324 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 172.9 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | S151 E217 I218 T219 V223 I224 | S151-C221 PolarHBondContact OG-SG 3.17Å; E217-C221 PolarHBondContact O-N 3.01Å; I218-C221 WeakPolarHBondContact O-CB 3.35Å; I218-C221 PolarHBondContact O-N 3.37Å; T219-C221 VanDerWaalsContact C-N 3.32Å; T219-C221 PolarHBondContact O-N 2.87Å; C221-V223 VanDerWaalsContact C-N 3.35Å; C221-I224 WeakPolarHBondContact O-CB 3.41Å; C221-I224 PolarHBondContact O-N 3.12Å |
| 222 | I | 95.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 46 Ų | 46 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.8 | -68.6 | 167.4 | 0 | 0 | 0 | 110.5 | L210 T214 I218 T219 I224 V225 | L210-I222 HydrophobicContact CD1-CB 4.44Å; L210-I222 HydrophobicContact CD1-CG2 3.96Å; T214-I222 HydrophobicContact CG2-CD1 4.42Å; I218-I222 HydrophobicContact CG2-CD1 3.85Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 WeakPolarHBondContact O-CG1 3.32Å; I218-I222 PolarHBondContact O-N 3.38Å; T219-I222 PolarHBondContact O-N 3.43Å; T219-I222 VanDerWaalsContact O-N 3.15Å; I222-I224 PolarHBondContact O-N 2.93Å; I222-I224 VanDerWaalsContact O-N 3.17Å; I222-V225 WeakPolarHBondContact O-CB 3.39Å; I222-V225 WeakPolarHBondContact O-CG1 3.44Å; I222-V225 PolarHBondContact O-N 2.91Å; I222-V225 VanDerWaalsContact O-N 3.1Å |
| 223 | V | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -22.8 | -178.6 | 165.5 | 0 | 0 | 0 | 0 | 113.1 | F66 I70 F147 Y206 L210 T219 L220 C221 V225 V226 P227 | F66-V223 HydrophobicContact CD1-CG1 3.9Å; F66-V223 HydrophobicContact CE1-CG1 3.7Å; F66-V223 HydrophobicContact CE1-CG2 4.38Å; I70-V223 HydrophobicContact CD1-CG2 4.39Å; I70-V223 HydrophobicContact CG1-CG1 4.14Å; I70-V223 HydrophobicContact CG2-CG1 4.48Å; F147-V223 HydrophobicContact CD1-CG1 4.27Å; F147-V223 HydrophobicContact CD2-CG1 4.18Å; F147-V223 HydrophobicContact CE1-CG1 3.7Å; F147-V223 HydrophobicContact CE2-CG1 3.59Å; F147-V223 HydrophobicContact CG-CG1 4.48Å; F147-V223 HydrophobicContact CZ-CG1 3.29Å; Y206-V223 HydrophobicContact CD1-CG2 3.99Å; Y206-V223 HydrophobicContact CE1-CG2 3.77Å; L210-V223 HydrophobicContact CD1-CG2 4.36Å; T219-V223 HydrophobicContact CG2-CG2 4.32Å; T219-V223 VanDerWaalsContact O-CG2 3.28Å; T219-V223 WeakPolarHBondContact O-CG2 3.32Å; T219-V223 PolarHBondContact O-N 3.49Å; L220-V223 PolarHBondContact O-N 3.17Å; C221-V223 VanDerWaalsContact C-N 3.35Å; V223-V225 PolarHBondContact O-N 2.89Å; V223-V226 WeakPolarHBondContact O-CB 3.22Å; V223-V226 PolarHBondContact O-N 2.72Å; V223-P227 WeakPolarHBondContact O-CD 3.33Å |
| 224 | I | 96.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -24.3 | 172.1 | -68.9 | 171 | 0 | 0 | 0 | 112.4 | I144 F147 L148 L220 C221 I222 V226 P227 C228 | I144-I224 HydrophobicContact CG1-CG2 4.19Å; I144-I224 HydrophobicContact CG2-CG2 4.16Å; F147-I224 HydrophobicContact CB-CD1 4.29Å; F147-I224 HydrophobicContact CB-CG1 3.77Å; F147-I224 HydrophobicContact CD2-CG1 4.02Å; F147-I224 HydrophobicContact CG-CG1 4.33Å; L148-I224 HydrophobicContact CD2-CD1 3.56Å; L148-I224 HydrophobicContact CG-CD1 3.8Å; L220-I224 PolarHBondContact O-N 2.6Å; C221-I224 WeakPolarHBondContact O-CB 3.41Å; C221-I224 PolarHBondContact O-N 3.12Å; I222-I224 PolarHBondContact O-N 2.93Å; I222-I224 VanDerWaalsContact O-N 3.17Å; I224-V226 PolarHBondContact O-N 2.63Å; I224-P227 WeakPolarHBondContact O-CD 3.34Å; I224-P227 VanDerWaalsContact O-CG 3.27Å; I224-P227 WeakPolarHBondContact O-CG 3.42Å; I224-C228 PolarHBondContact O-N 3.2Å; I224-C228 PolarHBondContact O-SG 3.36Å; I224-C228 VanDerWaalsContact O-SG 3.4Å |
| 225 | V | 96.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 39 Ų | 39 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.8 | -35.8 | 173.4 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | I222 V223 C228 T229 | I222-V225 WeakPolarHBondContact O-CB 3.39Å; I222-V225 WeakPolarHBondContact O-CG1 3.44Å; I222-V225 PolarHBondContact O-N 2.91Å; I222-V225 VanDerWaalsContact O-N 3.1Å; V223-V225 PolarHBondContact O-N 2.89Å; V225-C228 WeakPolarHBondContact O-CB 3.49Å; V225-C228 PolarHBondContact O-N 3.31Å; V225-T229 HydrophobicContact CG2-CG2 4.37Å; V225-T229 WeakPolarHBondContact O-CG2 3.1Å; V225-T229 PolarHBondContact O-N 3.49Å; V225-T229 PolarHBondContact O-OG1 3.24Å |
| 226 | V | 96.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -53.6 | -175.3 | 178.6 | 0 | 0 | 0 | 0 | 113.3 | L62 F66 V223 I224 C228 T229 T230 | L62-V226 HydrophobicContact CD2-CG1 4.37Å; F66-V226 HydrophobicContact CB-CG1 3.87Å; F66-V226 HydrophobicContact CD1-CB 4.04Å; F66-V226 HydrophobicContact CD1-CG1 3.88Å; F66-V226 HydrophobicContact CD1-CG2 3.95Å; F66-V226 HydrophobicContact CD2-CG1 4.23Å; F66-V226 HydrophobicContact CE1-CB 4.37Å; F66-V226 HydrophobicContact CE1-CG1 4.5Å; F66-V226 HydrophobicContact CE1-CG2 3.77Å; F66-V226 HydrophobicContact CG-CB 4.4Å; F66-V226 HydrophobicContact CG-CG1 3.73Å; F66-V226 HydrophobicContact CG-CG2 4.46Å; F66-V226 HydrophobicContact CZ-CG2 4.12Å; V223-V226 WeakPolarHBondContact O-CB 3.22Å; V223-V226 PolarHBondContact O-N 2.72Å; I224-V226 PolarHBondContact O-N 2.63Å; V226-C228 VanDerWaalsContact C-N 3.28Å; V226-C228 PolarHBondContact O-N 3.29Å; V226-T229 VanDerWaalsContact CA-OG1 3.3Å; V226-T229 WeakPolarHBondContact CA-OG1 3.13Å; V226-T229 PolarHBondContact O-N 2.9Å; V226-T229 PolarHBondContact O-OG1 3.45Å; V226-T230 PolarHBondContact O-N 2.94Å; V226-T230 PolarHBondContact O-OG1 2.92Å; V226-T230 VanDerWaalsContact O-OG1 3.12Å |
| 227 | P | 97.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -32.8 | 174.8 | 23.9 | -34.5 | 0 | 0 | 0 | 112.6 | V140 A143 I144 F147 V223 I224 T230 L231 | V140-P227 HydrophobicContact CG1-CB 4.25Å; V140-P227 WeakPolarHBondContact CG1-O 3.42Å; A143-P227 HydrophobicContact CB-CB 3.72Å; A143-P227 HydrophobicContact CB-CG 4.15Å; I144-P227 HydrophobicContact CG1-CB 4.17Å; I144-P227 HydrophobicContact CG1-CG 3.84Å; F147-P227 HydrophobicContact CD2-CG 4.35Å; F147-P227 HydrophobicContact CE2-CG 4.04Å; V223-P227 WeakPolarHBondContact O-CD 3.33Å; I224-P227 WeakPolarHBondContact O-CD 3.34Å; I224-P227 VanDerWaalsContact O-CG 3.27Å; I224-P227 WeakPolarHBondContact O-CG 3.42Å; P227-T230 WeakPolarHBondContact O-CB 3.32Å; P227-T230 PolarHBondContact O-N 2.98Å; P227-L231 PolarHBondContact O-N 2.88Å |
| 228 | C | 97.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 41 Ų | 41 | 35% | 0.345 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -44.9 | 172.4 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | I224 V225 V226 T230 L231 L232 | I224-C228 PolarHBondContact O-N 3.2Å; I224-C228 PolarHBondContact O-SG 3.36Å; I224-C228 VanDerWaalsContact O-SG 3.4Å; V225-C228 WeakPolarHBondContact O-CB 3.49Å; V225-C228 PolarHBondContact O-N 3.31Å; V226-C228 VanDerWaalsContact C-N 3.28Å; V226-C228 PolarHBondContact O-N 3.29Å; C228-T230 VanDerWaalsContact C-N 3.33Å; C228-T230 PolarHBondContact O-N 3.42Å; C228-L231 WeakPolarHBondContact O-CB 3.48Å; C228-L231 PolarHBondContact O-N 3.06Å; C228-L232 WeakPolarHBondContact O-CG 3.31Å; C228-L232 PolarHBondContact O-N 3.01Å; C228-L232 VanDerWaalsContact O-N 3.07Å |
| 229 | T | 97.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.3 | -31.5 | 176 | 40.5 | 0 | 0 | 0 | 0 | 112.4 | Y59 V225 V226 L231 L232 V233 | Y59-T229 WeakPolarHBondContact OH-CB 3.41Å; Y59-T229 PolarHBondContact OH-OG1 3.02Å; V225-T229 HydrophobicContact CG2-CG2 4.37Å; V225-T229 WeakPolarHBondContact O-CG2 3.1Å; V225-T229 PolarHBondContact O-N 3.49Å; V225-T229 PolarHBondContact O-OG1 3.24Å; V226-T229 VanDerWaalsContact CA-OG1 3.3Å; V226-T229 WeakPolarHBondContact CA-OG1 3.13Å; V226-T229 PolarHBondContact O-N 2.9Å; V226-T229 PolarHBondContact O-OG1 3.45Å; T229-L231 VanDerWaalsContact C-N 3.28Å; T229-L231 PolarHBondContact O-N 3.49Å; T229-L232 PolarHBondContact O-N 2.77Å; T229-V233 WeakPolarHBondContact O-CB 3.39Å; T229-V233 VanDerWaalsContact O-CG2 3.27Å; T229-V233 WeakPolarHBondContact O-CG2 3.2Å; T229-V233 PolarHBondContact O-N 2.81Å |
| 230 | T | 97.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 170.7 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | Y59 F60 V140 F177 V226 P227 C228 V233 Y234 | Y59-T230 WeakPolarHBondContact CE1-OG1 3.33Å; F60-T230 HydrophobicContact CD1-CG2 4.09Å; V140-T230 HydrophobicContact CG2-CG2 4.49Å; F177-T230 HydrophobicContact CZ-CG2 4.13Å; V226-T230 PolarHBondContact O-N 2.94Å; V226-T230 PolarHBondContact O-OG1 2.92Å; V226-T230 VanDerWaalsContact O-OG1 3.12Å; P227-T230 WeakPolarHBondContact O-CB 3.32Å; P227-T230 PolarHBondContact O-N 2.98Å; C228-T230 VanDerWaalsContact C-N 3.33Å; C228-T230 PolarHBondContact O-N 3.42Å; T230-V233 PolarHBondContact O-N 3.14Å; T230-Y234 PolarHBondContact O-N 2.87Å; T230-Y234 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 97 | Very high | 94.6 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.8 | -166.1 | 65.8 | 0 | 0 | 0 | 111.9 | I136 V140 P227 C228 T229 Y234 F235 | I136-L231 HydrophobicContact CG2-CD1 4.13Å; V140-L231 HydrophobicContact CG1-CB 4.32Å; V140-L231 HydrophobicContact CG1-CD2 4.48Å; V140-L231 HydrophobicContact CG2-CB 4.28Å; V140-L231 HydrophobicContact CG2-CD1 4.44Å; P227-L231 PolarHBondContact O-N 2.88Å; C228-L231 WeakPolarHBondContact O-CB 3.48Å; C228-L231 PolarHBondContact O-N 3.06Å; T229-L231 VanDerWaalsContact C-N 3.28Å; T229-L231 PolarHBondContact O-N 3.49Å; L231-Y234 PolarHBondContact O-N 3.45Å; L231-F235 HydrophobicContact CD1-CD2 4.19Å; L231-F235 HydrophobicContact CD1-CE2 3.68Å; L231-F235 HydrophobicContact CG-CD2 4.09Å; L231-F235 HydrophobicContact CG-CE2 3.95Å; L231-F235 VanDerWaalsContact O-CD2 3.32Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 PolarHBondContact O-N 2.99Å; L231-F235 VanDerWaalsContact O-N 3.15Å |
| 232 | L | 97.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.8 | -65.7 | 176.2 | 0 | 0 | 0 | 111.9 | C228 T229 Y234 F235 F236 | C228-L232 WeakPolarHBondContact O-CG 3.31Å; C228-L232 PolarHBondContact O-N 3.01Å; C228-L232 VanDerWaalsContact O-N 3.07Å; T229-L232 PolarHBondContact O-N 2.77Å; L232-Y234 VanDerWaalsContact C-N 3.26Å; L232-Y234 PolarHBondContact O-N 2.91Å; L232-F235 PolarHBondContact O-N 2.97Å; L232-F236 HydrophobicContact CB-CD2 4.32Å; L232-F236 HydrophobicContact CD2-CD2 4.05Å; L232-F236 HydrophobicContact CD2-CE2 3.74Å; L232-F236 WeakPolarHBondContact O-CB 3.2Å; L232-F236 VanDerWaalsContact O-CD2 3.32Å; L232-F236 WeakPolarHBondContact O-CD2 3.13Å; L232-F236 PolarHBondContact O-N 3.11Å |
| 233 | V | 97.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.9 | -41.6 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | A56 Y59 F60 T229 T230 F235 V237 L238 | A56-V233 HydrophobicContact CB-CG1 3.82Å; Y59-V233 HydrophobicContact CD1-CB 4.21Å; Y59-V233 HydrophobicContact CD1-CG1 4.46Å; Y59-V233 HydrophobicContact CD1-CG2 3.78Å; Y59-V233 HydrophobicContact CE1-CG2 4.33Å; Y59-V233 HydrophobicContact CG-CG2 3.97Å; F60-V233 HydrophobicContact CD1-CG1 4.21Å; F60-V233 HydrophobicContact CE1-CB 4.12Å; F60-V233 HydrophobicContact CE1-CG1 3.59Å; F60-V233 HydrophobicContact CZ-CG1 4.09Å; T229-V233 WeakPolarHBondContact O-CB 3.39Å; T229-V233 VanDerWaalsContact O-CG2 3.27Å; T229-V233 WeakPolarHBondContact O-CG2 3.2Å; T229-V233 PolarHBondContact O-N 2.81Å; T230-V233 PolarHBondContact O-N 3.14Å; V233-F235 PolarHBondContact O-N 3.15Å; V233-V237 HydrophobicContact CB-CB 4.45Å; V233-V237 HydrophobicContact CB-CG2 4.44Å; V233-V237 HydrophobicContact CG1-CB 4Å; V233-V237 HydrophobicContact CG1-CG1 4.47Å; V233-V237 HydrophobicContact CG1-CG2 4.42Å; V233-V237 HydrophobicContact CG2-CG2 4.29Å; V233-V237 WeakPolarHBondContact O-CA 3.13Å; V233-V237 WeakPolarHBondContact O-CB 3.17Å; V233-V237 PolarHBondContact O-N 3.38Å; V233-L238 PolarHBondContact O-N 3.32Å |
| 234 | Y | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -63.4 | -41 | 177.7 | 171.9 | -104.6 | 0 | 0 | 0 | 113.8 | F60 H133 I136 M180 T230 L231 L232 L238 | F60-Y234 HydrophobicContact CZ-CD2 4.19Å; H133-Y234 AromaticContact CE1-CE1 3.75Å; H133-Y234 AromaticContact CE1-CZ 3.78Å; H133-Y234 PolarHBondContact CE1-OH 3.13Å; H133-Y234 PolarHBondContact N-OH 2.98Å; H133-Y234 AromaticContact ND1-CE1 3.22Å; H133-Y234 WeakPolarHBondContact ND1-CE1 3.29Å; H133-Y234 AromaticContact ND1-CZ 3.51Å; H133-Y234 PolarHBondContact ND1-OH 3Å; I136-Y234 HydrophobicContact CD1-CD1 3.96Å; I136-Y234 HydrophobicContact CD1-CD2 3.2Å; I136-Y234 HydrophobicContact CD1-CE1 3.94Å; I136-Y234 HydrophobicContact CD1-CE2 3.2Å; I136-Y234 HydrophobicContact CD1-CG 3.59Å; I136-Y234 HydrophobicContact CG2-CG 4.45Å; M180-Y234 HydrophobicContact CE-CD2 4.39Å; M180-Y234 HydrophobicContact CE-CE2 3.98Å; T230-Y234 PolarHBondContact O-N 2.87Å; T230-Y234 VanDerWaalsContact O-N 3.08Å; L231-Y234 PolarHBondContact O-N 3.45Å; L232-Y234 VanDerWaalsContact C-N 3.26Å; L232-Y234 PolarHBondContact O-N 2.91Å; Y234-L238 HydrophobicContact CD2-CD2 3.6Å; Y234-L238 HydrophobicContact CE2-CD2 3.84Å |
| 235 | F | 94.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -82.1 | -34.8 | -178.8 | -77.3 | -68.9 | 0 | 0 | 0 | 114.1 | H133 L231 L232 V233 | H133-F235 AromaticContact CE1-CE1 3.83Å; H133-F235 AromaticContact ND1-CE1 3.57Å; H133-F235 AromaticContact ND1-CZ 3.86Å; L231-F235 HydrophobicContact CD1-CD2 4.19Å; L231-F235 HydrophobicContact CD1-CE2 3.68Å; L231-F235 HydrophobicContact CG-CD2 4.09Å; L231-F235 HydrophobicContact CG-CE2 3.95Å; L231-F235 VanDerWaalsContact O-CD2 3.32Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 PolarHBondContact O-N 2.99Å; L231-F235 VanDerWaalsContact O-N 3.15Å; L232-F235 PolarHBondContact O-N 2.97Å; V233-F235 PolarHBondContact O-N 3.15Å |
| 236 | F | 94.7 | Very high | 90.2 | Very high | 150 Ų | 150 | 48.3 Ų | 48.3 | 66% | 0.658 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -110.9 | -30 | -168.4 | -61.1 | -68.7 | 0 | 0 | 0 | 114.4 | R52 L232 | R52-F236 PolarHBondContact NH2-O 3.27Å; L232-F236 HydrophobicContact CB-CD2 4.32Å; L232-F236 HydrophobicContact CD2-CD2 4.05Å; L232-F236 HydrophobicContact CD2-CE2 3.74Å; L232-F236 WeakPolarHBondContact O-CB 3.2Å; L232-F236 VanDerWaalsContact O-CD2 3.32Å; L232-F236 WeakPolarHBondContact O-CD2 3.13Å; L232-F236 PolarHBondContact O-N 3.11Å |
| 237 | V | 94.2 | Very high | 89.1 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 30% | 0.303 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -96.2 | -47.5 | -177.3 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | R52 A56 V233 D239 | R52-V237 PolarHBondContact NE-O 3.38Å; R52-V237 VanDerWaalsContact NE-O 3.1Å; R52-V237 PolarHBondContact NH2-O 3.09Å; A56-V237 HydrophobicContact CB-CG1 4.22Å; V233-V237 HydrophobicContact CB-CB 4.45Å; V233-V237 HydrophobicContact CB-CG2 4.44Å; V233-V237 HydrophobicContact CG1-CB 4Å; V233-V237 HydrophobicContact CG1-CG1 4.47Å; V233-V237 HydrophobicContact CG1-CG2 4.42Å; V233-V237 HydrophobicContact CG2-CG2 4.29Å; V233-V237 WeakPolarHBondContact O-CA 3.13Å; V233-V237 WeakPolarHBondContact O-CB 3.17Å; V233-V237 PolarHBondContact O-N 3.38Å; V237-D239 PolarHBondContact O-N 3.01Å |
| 238 | L | 94.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -63.6 | 125.3 | -179.5 | -174.7 | 71.1 | 0 | 0 | 0 | 111.1 | A56 F57 F60 M180 F184 V233 Y234 R240 | A56-L238 HydrophobicContact CB-CB 3.94Å; A56-L238 HydrophobicContact CB-CD1 3.76Å; A56-L238 HydrophobicContact CB-CG 4.48Å; F57-L238 HydrophobicContact CD2-CD1 4.23Å; F57-L238 HydrophobicContact CE2-CD1 3.91Å; F60-L238 HydrophobicContact CE2-CD1 4.01Å; F60-L238 HydrophobicContact CE2-CD2 3.98Å; F60-L238 HydrophobicContact CE2-CG 4.41Å; F60-L238 HydrophobicContact CZ-CB 4.13Å; F60-L238 HydrophobicContact CZ-CD1 4.43Å; F60-L238 HydrophobicContact CZ-CD2 4.03Å; F60-L238 HydrophobicContact CZ-CG 4.43Å; M180-L238 HydrophobicContact SD-CD2 3.9Å; F184-L238 HydrophobicContact CE1-CD1 3.67Å; F184-L238 HydrophobicContact CE1-CG 4.26Å; F184-L238 HydrophobicContact CZ-CD1 3.75Å; F184-L238 HydrophobicContact CZ-CD2 4.05Å; F184-L238 HydrophobicContact CZ-CG 4.05Å; V233-L238 PolarHBondContact O-N 3.32Å; Y234-L238 HydrophobicContact CD2-CD2 3.6Å; Y234-L238 HydrophobicContact CE2-CD2 3.84Å; L238-R240 HydrophobicContact CD2-CG 3.9Å; L238-R240 HydrophobicContact CG-CG 4.17Å; L238-R240 PolarHBondContact O-N 3.42Å |
| 239 | D | 88 | Confident | 84.5 | Confident | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | trans | -88.6 | 92.2 | 174.4 | -153 | 35.2 | 0 | 0 | 0 | 109.3 | R52 N53 F184 V237 | R52-D239 IonicContact CZ-OD1 2.83Å; R52-D239 IonicContact NH1-OD1 2.87Å; R52-D239 PolarHBondContact NH1-OD1 2.93Å; R52-D239 IonicContact NH1-OD2 3.52Å; R52-D239 IonicContact NH2-OD1 2.72Å; N53-D239 WeakPolarHBondContact OD1-CA 3.36Å; N53-D239 WeakPolarHBondContact OD1-CB 3.4Å; N53-D239 PolarHBondContact OD1-N 2.87Å; N53-D239 PolarHBondContact OD1-O 2.98Å; F184-D239 WeakPolarHBondContact CE1-O 3.36Å; V237-D239 PolarHBondContact O-N 3.01Å | ||
| 240 | R | 87.1 | Confident | 81.6 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | trans | -72.4 | 133.9 | -171 | -68.8 | 170 | -74.4 | 150.1 | -6.6 | 111.1 | H133 L238 F246 | H133-R240 PolarHBondContact CE1-NH1 3.32Å; L238-R240 HydrophobicContact CD2-CG 3.9Å; L238-R240 HydrophobicContact CG-CG 4.17Å; L238-R240 PolarHBondContact O-N 3.42Å; R240-F246 HydrophobicContact CB-CB 4.27Å; R240-F246 HydrophobicContact CB-CD1 4.1Å; R240-F246 HydrophobicContact CB-CG 4.38Å; R240-F246 HydrophobicContact CG-CD1 3.94Å | ||
| 241 | P | 79.9 | Confident | 78.4 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 25% | 0.253 | 36% | 0.361 | S | S | . | . | trans | -65.7 | 153.6 | 175.5 | 28 | -33.9 | 0 | 0 | 0 | 110.9 | F183 F184 H243 F246 | F183-P241 HydrophobicContact CB-CG 4.09Å; F184-P241 HydrophobicContact CE2-CG 4.43Å; F184-P241 VanDerWaalsContact CZ-CD 3.44Å; F184-P241 HydrophobicContact CZ-CG 4.31Å; P241-H243 PolarHBondContact O-N 3.46Å; P241-F246 HydrophobicContact CG-CD2 3.8Å; P241-F246 HydrophobicContact CG-CE2 3.56Å; P241-F246 HydrophobicContact CG-CG 4.39Å; P241-F246 HydrophobicContact CG-CZ 3.96Å | ||
| 242 | H | 69.5 | Low | 75.2 | Confident | 128 Ų | 128 | 77 Ų | 77 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -74.7 | 71.3 | 174.6 | -66 | -55.1 | 0 | 0 | 0 | 111.2 | ||
| 243 | H | 75.7 | Confident | 71.9 | Confident | 8 Ų | 8 | 81.3 Ų | 81.3 | 4% | 0.037 | 40% | 0.402 | C | S | . | . | trans | -130.7 | 145.9 | 179.9 | -175.7 | -70.7 | 0 | 0 | 0 | 110.3 | F183 P241 K245 F246 R247 | F183-H243 AromaticContact CE1-CD2 3.73Å; F183-H243 AromaticContact CE1-CE1 3.86Å; F183-H243 AromaticContact CE1-NE2 3.61Å; P241-H243 PolarHBondContact O-N 3.46Å; H243-K245 VanDerWaalsContact C-N 3.28Å; H243-K245 PolarHBondContact ND1-N 3.04Å; H243-K245 PolarHBondContact O-N 3.39Å; H243-F246 HydrophobicContact CB-CD2 4.06Å; H243-F246 PolarHBondContact O-N 3.19Å; H243-R247 PolarHBondContact O-N 3.16Å | ||
| 244 | E | 77.3 | Confident | 68.8 | Low | 123 Ų | 123 | 86.8 Ų | 86.8 | 58% | 0.575 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -51 | -42.7 | -175.6 | 48.3 | 167 | -152.5 | 0 | 0 | 113.3 | F246 R247 | E244-F246 PolarHBondContact O-N 3.24Å; E244-R247 PolarHBondContact O-N 3.35Å |
| 245 | K | 81.2 | Confident | 65.6 | Low | 17 Ų | 17 | 91.2 Ų | 91.2 | 7% | 0.074 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -57.7 | -18 | 176.2 | -67.2 | -176.3 | 177.4 | -169 | 0 | 115.9 | Q128 F132 F183 H243 E461 | Q128-K245 WeakPolarHBondContact O-CE 3.43Å; Q128-K245 PolarHBondContact O-NZ 3.49Å; F132-K245 HydrophobicContact CD2-CB 3.84Å; F132-K245 HydrophobicContact CE2-CB 3.93Å; F132-K245 HydrophobicContact CE2-CD 4.24Å; F132-K245 PolarHBondContact N-O 3.2Å; F132-K245 VanDerWaalsContact N-O 3.09Å; F183-K245 HydrophobicContact CZ-CD 3.95Å; H243-K245 VanDerWaalsContact C-N 3.28Å; H243-K245 PolarHBondContact ND1-N 3.04Å; H243-K245 PolarHBondContact O-N 3.39Å; K245-E461 IonicContact NZ-OE1 2.87Å; K245-E461 PolarHBondContact NZ-OE1 3.23Å; K245-E461 IonicContact NZ-OE2 2.55Å; K245-E461 PolarHBondContact NZ-OE2 2.87Å |
| 246 | F | 83.3 | Confident | 62.5 | Low | 5 Ų | 5 | 92.8 Ų | 92.8 | 2% | 0.022 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -107.3 | -2.8 | 176.1 | -61.5 | -92.6 | 0 | 0 | 0 | 113 | F132 H133 M180 F183 F184 R240 P241 H243 E244 | F132-F246 HydrophobicContact CB-CD1 4.39Å; F132-F246 HydrophobicContact CB-CE1 4.36Å; F132-F246 HydrophobicContact CD2-CD1 4.05Å; F132-F246 HydrophobicContact CD2-CD2 4.15Å; F132-F246 AromaticContact CD2-CE1 3.65Å; F132-F246 HydrophobicContact CD2-CE1 3.65Å; F132-F246 AromaticContact CD2-CE2 3.76Å; F132-F246 HydrophobicContact CD2-CE2 3.76Å; F132-F246 HydrophobicContact CD2-CG 4.3Å; F132-F246 AromaticContact CD2-CZ 3.5Å; F132-F246 HydrophobicContact CD2-CZ 3.5Å; F132-F246 HydrophobicContact CE2-CD2 4.49Å; F132-F246 HydrophobicContact CE2-CE1 4.2Å; F132-F246 AromaticContact CE2-CE2 3.75Å; F132-F246 HydrophobicContact CE2-CE2 3.75Å; F132-F246 AromaticContact CE2-CZ 3.59Å; F132-F246 HydrophobicContact CE2-CZ 3.59Å; F132-F246 HydrophobicContact CG-CE1 4.1Å; F132-F246 HydrophobicContact CG-CZ 4.31Å; F132-F246 HydrophobicContact CZ-CZ 4.46Å; H133-F246 PolarHBondContact NE2-O 2.82Å; M180-F246 HydrophobicContact CE-CE1 4.18Å; M180-F246 HydrophobicContact CG-CE1 3.9Å; M180-F246 HydrophobicContact CG-CZ 3.79Å; M180-F246 HydrophobicContact SD-CE1 3.99Å; M180-F246 HydrophobicContact SD-CZ 4.48Å; F183-F246 HydrophobicContact CB-CE2 4.15Å; F183-F246 HydrophobicContact CB-CZ 4.22Å; F183-F246 HydrophobicContact CD1-CE2 4.21Å; F183-F246 HydrophobicContact CD2-CE2 4.12Å; F183-F246 HydrophobicContact CD2-CZ 4.21Å; F183-F246 AromaticContact CG-CE2 3.9Å; F183-F246 HydrophobicContact CG-CE2 3.9Å; F183-F246 HydrophobicContact CG-CZ 4.23Å; F184-F246 HydrophobicContact CE2-CE1 4.09Å; F184-F246 AromaticContact CE2-CZ 3.85Å; F184-F246 HydrophobicContact CE2-CZ 3.85Å; F184-F246 HydrophobicContact CZ-CE1 4.31Å; F184-F246 HydrophobicContact CZ-CZ 4.4Å; R240-F246 HydrophobicContact CB-CB 4.27Å; R240-F246 HydrophobicContact CB-CD1 4.1Å; R240-F246 HydrophobicContact CB-CG 4.38Å; R240-F246 HydrophobicContact CG-CD1 3.94Å; P241-F246 HydrophobicContact CG-CD2 3.8Å; P241-F246 HydrophobicContact CG-CE2 3.56Å; P241-F246 HydrophobicContact CG-CG 4.39Å; P241-F246 HydrophobicContact CG-CZ 3.96Å; H243-F246 HydrophobicContact CB-CD2 4.06Å; H243-F246 PolarHBondContact O-N 3.19Å; E244-F246 PolarHBondContact O-N 3.24Å |
| 247 | R | 73.4 | Confident | 59.4 | Low | 126 Ų | 126 | 92 Ų | 92 | 48% | 0.475 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -98.9 | 137.2 | 175.1 | -67.2 | -174.1 | 179.4 | -176.9 | 2.1 | 110 | H131 H243 E244 C249 | H131-R247 PolarHBondContact CD2-O 2.86Å; H243-R247 PolarHBondContact O-N 3.16Å; E244-R247 PolarHBondContact O-N 3.35Å; R247-C249 PolarHBondContact O-N 3.45Å |
| 248 | L | 54.5 | Low | 56.3 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | trans | -84.3 | 74.4 | 162.8 | -76.8 | 158.7 | 0 | 0 | 0 | 106.9 | F250 | L248-F250 VanDerWaalsContact C-N 3.34Å; L248-F250 PolarHBondContact O-N 2.97Å; L248-F250 VanDerWaalsContact O-N 3.08Å | ||
| 249 | C | 44 | Very low | 53.1 | Low | 86 Ų | 86 | 101 Ų | 101 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | trans | -79.8 | 90.7 | 170.9 | -76.1 | 0 | 0 | 0 | 0 | 108.5 | R247 N251 | R247-C249 PolarHBondContact O-N 3.45Å; C249-N251 PolarHBondContact O-N 3.41Å | ||
| 250 | F | 35.1 | Very low | 50.2 | Low | 182 Ų | 182 | 104.8 Ų | 104.8 | 80% | 0.798 | 57% | 0.568 | S | S | * | * | trans | -69.1 | 79 | 149.5 | -70.7 | -85.5 | 0 | 0 | 0 | 106.9 | L248 P252 | L248-F250 VanDerWaalsContact C-N 3.34Å; L248-F250 PolarHBondContact O-N 2.97Å; L248-F250 VanDerWaalsContact O-N 3.08Å; F250-P252 WeakPolarHBondContact O-CD 3.48Å | ||
| 251 | N | 31.8 | Very low | 47.3 | Very low | 141 Ų | 141 | 108.6 Ų | 108.6 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | trans | -79.3 | 104.6 | 153.9 | -92 | -2.6 | 0 | 0 | 0 | 105 | C249 M253 | C249-N251 PolarHBondContact O-N 3.41Å; N251-M253 PolarHBondContact O-N 2.96Å; N251-M253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | P | 29.3 | Very low | 44.8 | Very low | 104 Ų | 104 | 110.9 Ų | 110.9 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | trans | -53.7 | 125.9 | 166.2 | 23.5 | -30.5 | 0 | 0 | 0 | 105.9 | F250 V254 | F250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-V254 VanDerWaalsContact C-N 3.35Å; P252-V254 PolarHBondContact O-N 2.94Å | ||
| 253 | M | 28.6 | Very low | 43.2 | Very low | 184 Ų | 184 | 110.8 Ų | 110.8 | 91% | 0.906 | 62% | 0.618 | S | S | * | * | trans | -47.8 | 108.1 | 169.4 | -80.4 | -178.2 | -97.4 | 0 | 0 | 106.4 | N251 S255 | N251-M253 PolarHBondContact O-N 2.96Å; N251-M253 VanDerWaalsContact O-N 3.1Å; M253-S255 PolarHBondContact O-N 3.45Å | ||
| 254 | V | 31.1 | Very low | 41.1 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | -61.2 | 99 | 166.2 | 173.7 | 0 | 0 | 0 | 0 | 103.5 | P252 S256 | P252-V254 VanDerWaalsContact C-N 3.35Å; P252-V254 PolarHBondContact O-N 2.94Å; V254-S256 PolarHBondContact O-N 3.05Å | ||
| 255 | S | 29.9 | Very low | 38.7 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | -57.9 | 108.1 | 173 | 54.3 | 0 | 0 | 0 | 0 | 106.1 | M253 N257 | M253-S255 PolarHBondContact O-N 3.45Å; S255-N257 PolarHBondContact O-N 3.37Å | ||
| 256 | S | 30.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -70.9 | 68.5 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 109.2 | V254 | V254-S256 PolarHBondContact O-N 3.05Š| ||
| 257 | N | 28 | Very low | 33.6 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | -115.5 | 91.7 | 166.2 | -85.8 | -3.5 | 0 | 0 | 0 | 107 | S255 | S255-N257 PolarHBondContact O-N 3.37Š| ||
| 258 | N | 30 | Very low | 31.4 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 170.6 | 95.2 | 131.4 | -82 | -11.1 | 0 | 0 | 0 | 110.2 | ||||
| 259 | S | 27.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | 13.4 | 124.3 | 127.5 | 56 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 260 | T | 26.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 51.6 | 101.1 | 137.3 | 52.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 261 | M | 26 | Very low | 29.1 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | trans | 153.9 | 86.8 | 130.3 | -82.6 | -86.5 | 83.8 | 0 | 0 | 110.2 | ||||
| 262 | S | 28 | Very low | 29 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | 171.3 | 52.3 | 149.9 | 42.8 | 0 | 0 | 0 | 0 | 111.5 | E264 | S262-E264 PolarHBondContact O-N 2.98Å; S262-E264 VanDerWaalsContact O-N 3.07Å | ||
| 263 | T | 34.6 | Very low | 29 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 1.2 | 175.8 | -37.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 264 | E | 31.7 | Very low | 28.9 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -6.1 | -177 | -89.3 | -177.5 | 160.4 | 0 | 0 | 116.3 | S262 | S262-E264 PolarHBondContact O-N 2.98Å; S262-E264 VanDerWaalsContact O-N 3.07Å |
| 265 | R | 27.2 | Very low | 28.7 | Very low | 216 Ų | 216 | 126.7 Ų | 126.7 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -104.6 | -2 | 176.8 | -77 | -167.4 | -172 | -177.6 | 4 | 115.9 | ||
| 266 | I | 29.5 | Very low | 28.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 54% | 0.544 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -95.1 | -20.3 | -179.6 | -65.3 | -179.3 | 0 | 0 | 0 | 112.5 | T268 L269 V270 | I266-T268 PolarHBondContact O-N 3.45Å; I266-T268 VanDerWaalsContact O-N 3.15Å; I266-L269 PolarHBondContact O-N 3.24Å; I266-V270 HydrophobicContact CG2-CG2 3.42Å; I266-V270 VanDerWaalsContact CG2-CG2 3.42Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.38Å |
| 267 | N | 28.5 | Very low | 28.6 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -8.7 | -178.9 | -75.6 | -3.2 | 0 | 0 | 0 | 115.4 | ||
| 268 | T | 27.2 | Very low | 29 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -5.5 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | I266 | I266-T268 PolarHBondContact O-N 3.45Å; I266-T268 VanDerWaalsContact O-N 3.15Å |
| 269 | L | 26.7 | Very low | 29.3 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -4.7 | 177.9 | -84.3 | 158.7 | 0 | 0 | 0 | 114.1 | I266 T271 | I266-L269 PolarHBondContact O-N 3.24Å; L269-T271 VanDerWaalsContact C-N 3.34Å; L269-T271 PolarHBondContact O-N 3.04Å |
| 270 | V | 29.1 | Very low | 30 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 52% | 0.515 | 71% | 0.707 | S | S | . | * | trans | -95 | 66.3 | 172 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I266 | I266-V270 HydrophobicContact CG2-CG2 3.42Å; I266-V270 VanDerWaalsContact CG2-CG2 3.42Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.38Å | ||
| 271 | T | 29.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -112.4 | 11.7 | 156.4 | 46.8 | 0 | 0 | 0 | 0 | 112 | L269 | L269-T271 VanDerWaalsContact C-N 3.34Å; L269-T271 PolarHBondContact O-N 3.04Å |
| 272 | S | 29.6 | Very low | 32.4 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | trans | -155.4 | 77.8 | 173.7 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 273 | D | 27.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | trans | -139.4 | 87.8 | 152.7 | -95.4 | -24.6 | 0 | 0 | 0 | 106.5 | S275 | D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 PolarHBondContact O-N 3.5Å | ||
| 274 | E | 28.2 | Very low | 34.3 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | trans | -61.1 | 95.5 | 164.3 | -71.9 | 172.8 | 178.2 | 0 | 0 | 107.2 | E276 N313 | E274-E276 PolarHBondContact O-N 3.3Å; E274-N313 PolarHBondContact OE1-ND2 2.78Å; E274-N313 VanDerWaalsContact OE2-CA 3.29Å; E274-N313 WeakPolarHBondContact OE2-CA 3.39Å; E274-N313 PolarHBondContact OE2-ND2 2.96Å | ||
| 275 | S | 26.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 119.5 Ų | 119.5 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | trans | -66.1 | 128.4 | 164.5 | 16.2 | 0 | 0 | 0 | 0 | 106.9 | D273 H277 | D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 PolarHBondContact O-N 3.5Å; S275-H277 VanDerWaalsContact C-N 3.3Å; S275-H277 PolarHBondContact O-N 3.21Å | ||
| 276 | E | 30.6 | Very low | 36.6 | Very low | 171 Ų | 171 | 110 Ų | 110 | 80% | 0.799 | 60% | 0.602 | S | S | * | * | trans | -50.7 | 98.2 | 166.4 | -75.6 | 178 | 161.9 | 0 | 0 | 108 | E274 I278 | E274-E276 PolarHBondContact O-N 3.3Å; E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 3.04Å | ||
| 277 | H | 26.6 | Very low | 37.9 | Very low | 159 Ų | 159 | 108.4 Ų | 108.4 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | trans | -67.8 | 96.6 | 171.9 | -94.1 | -80.6 | 0 | 0 | 0 | 106.9 | S275 E279 | S275-H277 VanDerWaalsContact C-N 3.3Å; S275-H277 PolarHBondContact O-N 3.21Å; H277-E279 VanDerWaalsContact C-N 3.28Å; H277-E279 PolarHBondContact O-N 2.84Å | ||
| 278 | I | 36.6 | Very low | 39.1 | Very low | 108 Ų | 108 | 105.1 Ų | 105.1 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | trans | -66.1 | 94.9 | 163.9 | -59.5 | 172.7 | 0 | 0 | 0 | 105.9 | E276 V280 | E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 3.04Å; I278-V280 VanDerWaalsContact C-N 3.3Å; I278-V280 HydrophobicContact CG2-CG2 4.02Å; I278-V280 PolarHBondContact O-N 2.79Å | ||
| 279 | E | 36.9 | Very low | 40.6 | Very low | 163 Ų | 163 | 103.4 Ų | 103.4 | 76% | 0.762 | 56% | 0.562 | S | S | * | * | trans | -69.1 | 94.4 | 164.9 | -78.3 | -173 | 166.6 | 0 | 0 | 107.9 | H277 V281 | H277-E279 VanDerWaalsContact C-N 3.28Å; H277-E279 PolarHBondContact O-N 2.84Å; E279-V281 VanDerWaalsContact C-N 3.35Å; E279-V281 PolarHBondContact O-N 3.4Å | ||
| 280 | V | 42.9 | Very low | 41.6 | Very low | 105 Ų | 105 | 101.8 Ų | 101.8 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | trans | -67.2 | 101.5 | 161.4 | -179.7 | 0 | 0 | 0 | 0 | 105.8 | I278 N282 | I278-V280 VanDerWaalsContact C-N 3.3Å; I278-V280 HydrophobicContact CG2-CG2 4.02Å; I278-V280 PolarHBondContact O-N 2.79Å; V280-N282 PolarHBondContact O-N 2.86Å | ||
| 281 | V | 50.6 | Low | 42.8 | Very low | 30 Ų | 30 | 104.5 Ų | 104.5 | 18% | 0.182 | 58% | 0.575 | C | S | . | * | trans | -49.5 | 119.1 | 168.9 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | E279 E285 V286 L296 Q322 | E279-V281 VanDerWaalsContact C-N 3.35Å; E279-V281 PolarHBondContact O-N 3.4Å; V281-E285 HydrophobicContact CG1-CB 3.83Å; V281-V286 HydrophobicContact CG1-CG2 4.4Å; V281-L296 HydrophobicContact CB-CD2 4.39Å; V281-L296 HydrophobicContact CG1-CD2 3.54Å; V281-L296 HydrophobicContact CG2-CD2 4.27Å; V281-Q322 VanDerWaalsContact N-NE2 3.18Å; V281-Q322 PolarHBondContact O-NE2 3.47Å; V281-Q322 VanDerWaalsContact O-NE2 3.08Å | ||
| 282 | N | 52.8 | Low | 44 | Very low | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | trans | -74 | 143.9 | -179.6 | -133.5 | -11.3 | 0 | 0 | 0 | 108.4 | V280 S284 E285 | V280-N282 PolarHBondContact O-N 2.86Å; N282-S284 PolarHBondContact O-N 3.22Å; N282-E285 PolarHBondContact O-N 2.87Å | ||
| 283 | D | 52.1 | Low | 45.1 | Very low | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -52.4 | -21.9 | 179.2 | -82.3 | -9 | 0 | 0 | 0 | 112.6 | V286 T325 I328 | D283-V286 WeakPolarHBondContact O-CB 3.36Å; D283-V286 PolarHBondContact O-N 3.12Å; D283-T325 PolarHBondContact OD2-OG1 3.46Å; D283-I328 VanDerWaalsContact OD1-CD1 3.23Å; D283-I328 WeakPolarHBondContact OD1-CD1 3.34Å |
| 284 | S | 50.6 | Low | 46.5 | Very low | 108 Ų | 108 | 92 Ų | 92 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -69.5 | -20.4 | 174.9 | -49.1 | 0 | 0 | 0 | 0 | 115.5 | N282 V286 | N282-S284 PolarHBondContact O-N 3.22Å; S284-V286 VanDerWaalsContact C-N 3.34Å |
| 285 | E | 53.8 | Low | 47.6 | Very low | 97 Ų | 97 | 89 Ų | 89 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -91 | -3 | 178.6 | -67.8 | 176.7 | 170.8 | 0 | 0 | 112.6 | V281 N282 R297 | V281-E285 HydrophobicContact CG1-CB 3.83Å; N282-E285 PolarHBondContact O-N 2.87Å; E285-R297 WeakPolarHBondContact O-CB 3.38Å; E285-R297 PolarHBondContact O-N 3.49Å |
| 286 | V | 53.1 | Low | 48.9 | Very low | 16 Ų | 16 | 85.6 Ų | 85.6 | 10% | 0.097 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109.6 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | V281 D283 S284 T288 I294 Q295 L296 | V281-V286 HydrophobicContact CG1-CG2 4.4Å; D283-V286 WeakPolarHBondContact O-CB 3.36Å; D283-V286 PolarHBondContact O-N 3.12Å; S284-V286 VanDerWaalsContact C-N 3.34Å; V286-T288 HydrophobicContact CG1-CG2 4.18Å; V286-T288 PolarHBondContact O-N 2.95Å; V286-I294 HydrophobicContact CG1-CG2 3.25Å; V286-Q295 CarbonylContact C-O 3.57Å; V286-L296 HydrophobicContact CG2-CD2 4.45Å |
| 287 | I | 56.9 | Low | 49.8 | Very low | 73 Ų | 73 | 86.4 Ų | 86.4 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.9 | 172.5 | -56.9 | 176.7 | 0 | 0 | 0 | 108.1 | Q295 R297 | I287-Q295 HydrophobicContact CB-CB 4.42Å; I287-Q295 PolarHBondContact N-O 2.91Å; I287-Q295 PolarHBondContact O-N 3.47Å; I287-R297 HydrophobicContact CD1-CB 4.24Å; I287-R297 HydrophobicContact CD1-CG 4.23Å; I287-R297 HydrophobicContact CG1-CB 4.38Å |
| 288 | T | 52.6 | Low | 50.9 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | V286 I294 | V286-T288 HydrophobicContact CG1-CG2 4.18Å; V286-T288 PolarHBondContact O-N 2.95Å; T288-I294 HydrophobicContact CG2-CG1 4.43Å |
| 289 | H | 58.8 | Low | 51.4 | Low | 80 Ų | 80 | 80.5 Ų | 80.5 | 37% | 0.37 | 42% | 0.422 | S | S | . | . | trans | -87 | 154.6 | 177.7 | -67.6 | -85 | 0 | 0 | 0 | 110.7 | D291 G292 Y293 Q295 | H289-D291 PolarHBondContact O-N 3.39Å; H289-D291 VanDerWaalsContact O-N 3.1Å; H289-G292 PolarHBondContact O-N 3.39Å; H289-Y293 AromaticContact CD2-CD1 3.58Å; H289-Y293 PolarHBondContact N-O 3.19Å; H289-Q295 PolarHBondContact NE2-OE1 3.32Å | ||
| 290 | S | 48.3 | Very low | 51.7 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 76% | 0.755 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.1 | -178.1 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | G292 | S290-G292 PolarHBondContact O-N 3.36Š|
| 291 | D | 54.2 | Low | 51.6 | Low | 143 Ų | 143 | 81.5 Ų | 81.5 | 77% | 0.765 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.3 | -179.8 | -59.2 | -19.4 | 0 | 0 | 0 | 113.1 | H289 | H289-D291 PolarHBondContact O-N 3.39Å; H289-D291 VanDerWaalsContact O-N 3.1Å |
| 292 | G | 55.4 | Low | 51.1 | Low | 9 Ų | 9 | 83.2 Ų | 83.2 | 9% | 0.093 | 44% | 0.436 | C | S | . | . | S | Bend | trans | 90.4 | -0.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H289 S290 | H289-G292 PolarHBondContact O-N 3.39Å; S290-G292 PolarHBondContact O-N 3.36Å |
| 293 | Y | 52.1 | Low | 50.2 | Low | 92 Ų | 92 | 82.3 Ų | 82.3 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | trans | -69.1 | 134.2 | 173.2 | -179.1 | -130 | 0 | 0 | 0 | 110.9 | H289 Q295 E454 | H289-Y293 AromaticContact CD2-CD1 3.58Å; H289-Y293 PolarHBondContact N-O 3.19Å; Y293-Q295 HydrophobicContact CD1-CG 3.68Å; Y293-Q295 HydrophobicContact CE1-CG 3.1Å; Y293-Q295 HydrophobicContact CE2-CG 4.22Å; Y293-Q295 HydrophobicContact CG-CG 4.48Å; Y293-Q295 PolarHBondContact OH-NE2 3.4Å; Y293-Q295 VanDerWaalsContact OH-NE2 3.13Å; Y293-E454 WeakPolarHBondContact CD2-O 3.39Å; Y293-E454 WeakPolarHBondContact CE2-O 3.26Å | ||
| 294 | I | 56.6 | Low | 49.4 | Very low | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.021 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.5 | -175.6 | -61.8 | -175.8 | 0 | 0 | 0 | 107.3 | V286 T288 I328 Q331 L332 S456 Y459 | V286-I294 HydrophobicContact CG1-CG2 3.25Å; T288-I294 HydrophobicContact CG2-CG1 4.43Å; I294-I328 HydrophobicContact CD1-CG2 3.95Å; I294-Q331 HydrophobicContact CD1-CB 4.04Å; I294-L332 HydrophobicContact CD1-CD2 3.78Å; I294-L332 HydrophobicContact CD1-CG 3.89Å; I294-S456 WeakPolarHBondContact O-CB 3.36Å; I294-Y459 HydrophobicContact CG2-CD2 4.25Å; I294-Y459 HydrophobicContact CG2-CE2 4.08Å |
| 295 | Q | 51.4 | Low | 48.4 | Very low | 58 Ų | 58 | 87.3 Ų | 87.3 | 27% | 0.271 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146 | 176.3 | -67.9 | -170.1 | -59.7 | 0 | 0 | 110.8 | V286 I287 H289 Y293 | V286-Q295 CarbonylContact C-O 3.57Å; I287-Q295 HydrophobicContact CB-CB 4.42Å; I287-Q295 PolarHBondContact N-O 2.91Å; I287-Q295 PolarHBondContact O-N 3.47Å; H289-Q295 PolarHBondContact NE2-OE1 3.32Å; Y293-Q295 HydrophobicContact CD1-CG 3.68Å; Y293-Q295 HydrophobicContact CE1-CG 3.1Å; Y293-Q295 HydrophobicContact CE2-CG 4.22Å; Y293-Q295 HydrophobicContact CG-CG 4.48Å; Y293-Q295 PolarHBondContact OH-NE2 3.4Å; Y293-Q295 VanDerWaalsContact OH-NE2 3.13Å |
| 296 | L | 53.9 | Low | 47.5 | Very low | 14 Ų | 14 | 85.8 Ų | 85.8 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.1 | 164.2 | -67.6 | 167 | 0 | 0 | 0 | 110.4 | V281 V286 N298 E299 M302 I458 | V281-L296 HydrophobicContact CB-CD2 4.39Å; V281-L296 HydrophobicContact CG1-CD2 3.54Å; V281-L296 HydrophobicContact CG2-CD2 4.27Å; V286-L296 HydrophobicContact CG2-CD2 4.45Å; L296-N298 PolarHBondContact O-N 2.88Å; L296-N298 VanDerWaalsContact O-N 3.17Å; L296-E299 HydrophobicContact CB-CB 4.09Å; L296-E299 HydrophobicContact CB-CG 3.95Å; L296-E299 HydrophobicContact CD1-CG 4.45Å; L296-E299 PolarHBondContact N-OE1 3.38Å; L296-E299 WeakPolarHBondContact O-CB 3.19Å; L296-E299 PolarHBondContact O-N 3.44Å; L296-M302 HydrophobicContact CD1-SD 4.02Å; L296-I458 HydrophobicContact CD1-CD1 4.49Å; L296-I458 HydrophobicContact CD1-CG1 4.38Å; L296-I458 HydrophobicContact CD1-CG2 4.13Å; L296-I458 HydrophobicContact CD2-CD1 3.8Å; L296-I458 HydrophobicContact CG-CD1 4.39Å |
| 297 | R | 50.8 | Low | 46.5 | Very low | 188 Ų | 188 | 87.8 Ų | 87.8 | 71% | 0.709 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -28.7 | 177.6 | -168.7 | 171.2 | -159.4 | -156.3 | 3.2 | 113.7 | E285 I287 | E285-R297 WeakPolarHBondContact O-CB 3.38Å; E285-R297 PolarHBondContact O-N 3.49Å; I287-R297 HydrophobicContact CD1-CB 4.24Å; I287-R297 HydrophobicContact CD1-CG 4.23Å; I287-R297 HydrophobicContact CG1-CB 4.38Å |
| 298 | N | 49.3 | Very low | 45.5 | Very low | 102 Ų | 102 | 87.6 Ų | 87.6 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 33.8 | 179.6 | -59.5 | -12.2 | 0 | 0 | 0 | 112.4 | L296 D300 D301 | L296-N298 PolarHBondContact O-N 2.88Å; L296-N298 VanDerWaalsContact O-N 3.17Å; N298-D300 PolarHBondContact O-N 3.08Å; N298-D301 PolarHBondContact O-N 3.42Å; N298-D301 VanDerWaalsContact O-N 3.12Å |
| 299 | E | 46.3 | Very low | 44.5 | Very low | 42 Ų | 42 | 92.3 Ų | 92.3 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -57.9 | -31.6 | -176.8 | -133.9 | 162.3 | -133.8 | 0 | 0 | 113.2 | L296 D301 M302 S456 | L296-E299 HydrophobicContact CB-CB 4.09Å; L296-E299 HydrophobicContact CB-CG 3.95Å; L296-E299 HydrophobicContact CD1-CG 4.45Å; L296-E299 PolarHBondContact N-OE1 3.38Å; L296-E299 WeakPolarHBondContact O-CB 3.19Å; L296-E299 PolarHBondContact O-N 3.44Å; E299-D301 VanDerWaalsContact C-N 3.32Å; E299-D301 PolarHBondContact O-N 3.42Å; E299-M302 PolarHBondContact O-N 3.06Å; E299-S456 PolarHBondContact OE1-OG 3.42Å |
| 300 | D | 43 | Very low | 43.2 | Very low | 162 Ų | 162 | 91 Ų | 91 | 87% | 0.866 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -71.4 | -22.7 | 179.3 | -69.7 | -35.6 | 0 | 0 | 0 | 113.6 | N298 M302 | N298-D300 PolarHBondContact O-N 3.08Å; D300-M302 VanDerWaalsContact C-N 3.35Å |
| 301 | D | 40.1 | Very low | 42.3 | Very low | 127 Ų | 127 | 91 Ų | 91 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -84.2 | -12.5 | 178.1 | -66.3 | -38 | 0 | 0 | 0 | 112.4 | N298 E299 V303 | N298-D301 PolarHBondContact O-N 3.42Å; N298-D301 VanDerWaalsContact O-N 3.12Å; E299-D301 VanDerWaalsContact C-N 3.32Å; E299-D301 PolarHBondContact O-N 3.42Å; D301-V303 VanDerWaalsContact C-N 3.34Å; D301-V303 PolarHBondContact O-N 2.85Å |
| 302 | M | 40.6 | Very low | 41.6 | Very low | 66 Ų | 66 | 91.6 Ų | 91.6 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | trans | -76.1 | 82.5 | 176.5 | -75.3 | -153.9 | 57.9 | 0 | 0 | 111.4 | L296 E299 D300 L319 | L296-M302 HydrophobicContact CD1-SD 4.02Å; E299-M302 PolarHBondContact O-N 3.06Å; D300-M302 VanDerWaalsContact C-N 3.35Å; M302-L319 HydrophobicContact CE-CB 4.34Å; M302-L319 HydrophobicContact CE-CD1 3.76Å | ||
| 303 | V | 33.7 | Very low | 40.5 | Very low | 89 Ų | 89 | 96.8 Ų | 96.8 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | trans | -78.4 | 126.6 | 172.1 | -173 | 0 | 0 | 0 | 0 | 110.2 | D301 H305 | D301-V303 VanDerWaalsContact C-N 3.34Å; D301-V303 PolarHBondContact O-N 2.85Å; V303-H305 VanDerWaalsContact CG1-CD2 3.46Å; V303-H305 WeakPolarHBondContact CG1-CD2 3.44Å; V303-H305 VanDerWaalsContact CG1-NE2 3.26Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.43Å; V303-H305 PolarHBondContact O-N 3.17Å | ||
| 304 | Y | 36.6 | Very low | 39.6 | Very low | 169 Ų | 169 | 94.7 Ų | 94.7 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | trans | -65.3 | 94.3 | 169.2 | -73 | -100.9 | 0 | 0 | 0 | 109.5 | R460 | Y304-R460 PolarHBondContact OH-NH1 2.9Å; Y304-R460 VanDerWaalsContact OH-NH1 3.11Å | ||
| 305 | H | 29 | Very low | 38.6 | Very low | 123 Ų | 123 | 99.4 Ų | 99.4 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | trans | -105.8 | 126.3 | 169.4 | -79.6 | -62.6 | 0 | 0 | 0 | 111.4 | V303 | V303-H305 VanDerWaalsContact CG1-CD2 3.46Å; V303-H305 WeakPolarHBondContact CG1-CD2 3.44Å; V303-H305 VanDerWaalsContact CG1-NE2 3.26Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.43Å; V303-H305 PolarHBondContact O-N 3.17Å | ||
| 306 | D | 33.9 | Very low | 37.7 | Very low | 65 Ų | 65 | 100.4 Ų | 100.4 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | trans | -73.5 | 119.6 | 172.1 | 176.5 | 40.9 | 0 | 0 | 0 | 109.6 | W49 S308 | W49-D306 WeakPolarHBondContact CH2-OD2 3.41Å; W49-D306 WeakPolarHBondContact CZ3-OD2 3.27Å; D306-S308 PolarHBondContact O-N 3.23Å; D306-S308 PolarHBondContact OD2-OG 3.35Å | ||
| 307 | S | 32.8 | Very low | 36.9 | Very low | 58 Ų | 58 | 104.1 Ų | 104.1 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -68.8 | 11 | -174.5 | -45.3 | 0 | 0 | 0 | 0 | 114.5 | Q309 | S307-Q309 PolarHBondContact O-N 3.09Å; S307-Q309 VanDerWaalsContact O-N 3.17Å |
| 308 | S | 36.3 | Very low | 36.8 | Very low | 69 Ų | 69 | 98.6 Ų | 98.6 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -66.7 | -9 | 172.1 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | D306 | D306-S308 PolarHBondContact O-N 3.23Å; D306-S308 PolarHBondContact OD2-OG 3.35Å |
| 309 | Q | 31.9 | Very low | 37.2 | Very low | 170 Ų | 170 | 95.4 Ų | 95.4 | 79% | 0.794 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -140.5 | 84.1 | 167 | -65.9 | -165.6 | -12.1 | 0 | 0 | 111.7 | S307 | S307-Q309 PolarHBondContact O-N 3.09Å; S307-Q309 VanDerWaalsContact O-N 3.17Å |
| 310 | I | 31 | Very low | 38.1 | Very low | 53 Ų | 53 | 96 Ų | 96 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | trans | -128.4 | 114.4 | 158.7 | -72 | 178.5 | 0 | 0 | 0 | 107 | S314 L316 | I310-S314 VanDerWaalsContact CG2-O 3.32Å; I310-S314 WeakPolarHBondContact CG2-O 3.5Å; I310-S314 WeakPolarHBondContact CG2-OG 3.4Å; I310-L316 HydrophobicContact CD1-CB 4.08Å; I310-L316 HydrophobicContact CD1-CD1 4.11Å | ||
| 311 | P | 30.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 89.3 Ų | 89.3 | 70% | 0.695 | 49% | 0.491 | S | S | * | . | trans | -54.8 | 141 | 160.2 | -11 | 24.9 | 0 | 0 | 0 | 107.2 | N313 S314 | P311-N313 PolarHBondContact O-N 3.29Å; P311-S314 PolarHBondContact O-N 3.47Å | ||
| 312 | N | 38.1 | Very low | 41.3 | Very low | 157 Ų | 157 | 84.7 Ų | 84.7 | 84% | 0.84 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 2.8 | -172.5 | -77.2 | -2.6 | 0 | 0 | 0 | 117.9 | ||
| 313 | N | 33.3 | Very low | 43 | Very low | 117 Ų | 117 | 85.3 Ų | 85.3 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 21.8 | -176.5 | -69 | 65.5 | 0 | 0 | 0 | 115.5 | E274 P311 | E274-N313 PolarHBondContact OE1-ND2 2.78Å; E274-N313 VanDerWaalsContact OE2-CA 3.29Å; E274-N313 WeakPolarHBondContact OE2-CA 3.39Å; E274-N313 PolarHBondContact OE2-ND2 2.96Å; P311-N313 PolarHBondContact O-N 3.29Å |
| 314 | S | 31.8 | Very low | 45.3 | Very low | 48 Ų | 48 | 81.4 Ų | 81.4 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | trans | -121.1 | 97.4 | 164.3 | 73 | 0 | 0 | 0 | 0 | 111.3 | I310 P311 L316 | I310-S314 VanDerWaalsContact CG2-O 3.32Å; I310-S314 WeakPolarHBondContact CG2-O 3.5Å; I310-S314 WeakPolarHBondContact CG2-OG 3.4Å; P311-S314 PolarHBondContact O-N 3.47Å; S314-L316 PolarHBondContact O-N 3.15Å | ||
| 315 | S | 37.2 | Very low | 47.6 | Very low | 103 Ų | 103 | 76.4 Ų | 76.4 | 72% | 0.72 | 43% | 0.431 | S | S | * | . | trans | -65 | 75.1 | 165.1 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | L | 31.8 | Very low | 50.3 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 42% | 0.419 | 44% | 0.439 | S | S | . | . | trans | -77.7 | 134 | 165.1 | -96.4 | 128.5 | 0 | 0 | 0 | 108.5 | I310 S314 V318 | I310-L316 HydrophobicContact CD1-CB 4.08Å; I310-L316 HydrophobicContact CD1-CD1 4.11Å; S314-L316 PolarHBondContact O-N 3.15Å; L316-V318 PolarHBondContact O-N 3.48Å | ||
| 317 | P | 36.7 | Very low | 52.7 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | trans | -64.9 | 112.4 | -172.8 | 23.8 | -31.9 | 0 | 0 | 0 | 110.4 | L319 | P317-L319 PolarHBondContact O-N 3Š| ||
| 318 | V | 48.7 | Very low | 55.4 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | trans | -60.1 | 128.4 | 163.2 | 176.6 | 0 | 0 | 0 | 0 | 107 | L316 N320 | L316-V318 PolarHBondContact O-N 3.48Å; V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 PolarHBondContact O-N 2.85Å | ||
| 319 | L | 56.9 | Low | 57.9 | Low | 36 Ų | 36 | 80.2 Ų | 80.2 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | trans | -62.5 | 93.8 | 174.6 | 177.1 | 68.8 | 0 | 0 | 0 | 109.3 | M302 P317 P457 I458 | M302-L319 HydrophobicContact CE-CB 4.34Å; M302-L319 HydrophobicContact CE-CD1 3.76Å; P317-L319 PolarHBondContact O-N 3Å; L319-P457 HydrophobicContact CD1-CB 3.59Å; L319-P457 HydrophobicContact CD2-CB 3.68Å; L319-P457 HydrophobicContact CG-CB 4.3Å; L319-I458 HydrophobicContact CD1-CG2 3.75Å | ||
| 320 | N | 66 | Low | 60.6 | Low | 55 Ų | 55 | 77.9 Ų | 77.9 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 118.1 | 175.3 | -77.6 | -24.4 | 0 | 0 | 0 | 109.1 | V318 Q322 | V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 PolarHBondContact O-N 2.85Å; N320-Q322 PolarHBondContact O-N 3.2Å |
| 321 | Q | 76.3 | Confident | 63.3 | Low | 20 Ų | 20 | 78.3 Ų | 78.3 | 9% | 0.093 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.9 | 173 | -64.1 | -65.5 | -59.4 | 0 | 0 | 109.6 | F183 P457 I458 E461 | F183-Q321 HydrophobicContact CE1-CG 3.58Å; F183-Q321 HydrophobicContact CE2-CG 4.09Å; F183-Q321 HydrophobicContact CZ-CB 4.24Å; F183-Q321 HydrophobicContact CZ-CG 3.28Å; Q321-P457 PolarHBondContact NE2-O 3.09Å; Q321-P457 PolarHBondContact OE1-O 3.08Å; Q321-I458 CarbonylContact C-O 3.57Å; Q321-I458 WeakPolarHBondContact CA-O 3.43Å; Q321-I458 PolarHBondContact OE1-O 3.42Å; Q321-E461 HydrophobicContact CB-CB 4.32Å; Q321-E461 VanDerWaalsContact CB-OE2 3.25Å; Q321-E461 WeakPolarHBondContact CB-OE2 3.4Å; Q321-E461 HydrophobicContact CG-CB 3.89Å; Q321-E461 WeakPolarHBondContact CG-OE2 3.25Å |
| 322 | Q | 74.6 | Confident | 66.2 | Low | 31 Ų | 31 | 73.7 Ų | 73.7 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 151 | -179.6 | -69 | -173 | -28.8 | 0 | 0 | 111.5 | Q128 V281 N320 P324 I458 Y459 | Q128-Q322 PolarHBondContact NE2-O 3.02Å; V281-Q322 VanDerWaalsContact N-NE2 3.18Å; V281-Q322 PolarHBondContact O-NE2 3.47Å; V281-Q322 VanDerWaalsContact O-NE2 3.08Å; N320-Q322 PolarHBondContact O-N 3.2Å; Q322-P324 WeakPolarHBondContact O-CD 3.37Å; Q322-I458 PolarHBondContact N-O 3.38Å; Q322-Y459 HydrophobicContact CB-CD1 4.48Å; Q322-Y459 HydrophobicContact CB-CE1 3.92Å; Q322-Y459 PolarHBondContact OE1-OH 3.37Å |
| 323 | Q | 76 | Confident | 68.7 | Low | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | trans | -79 | 114.6 | 168.7 | -71.1 | -82.6 | -17.8 | 0 | 0 | 108.3 | Q128 T325 | Q128-Q323 VanDerWaalsContact OE1-OE1 3.13Å; Q323-T325 PolarHBondContact O-N 3.41Å | ||
| 324 | P | 81.1 | Confident | 71.4 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | trans | -69.2 | 134.5 | -177.8 | 25 | -30.7 | 0 | 0 | 0 | 111.2 | Q322 I328 K329 L332 Y459 Y462 | Q322-P324 WeakPolarHBondContact O-CD 3.37Å; P324-I328 HydrophobicContact CB-CB 3.94Å; P324-I328 HydrophobicContact CB-CG2 3.54Å; P324-K329 HydrophobicContact CB-CG 3.9Å; P324-K329 HydrophobicContact CG-CG 3.73Å; P324-K329 WeakPolarHBondContact O-CE 3.44Å; P324-L332 HydrophobicContact CB-CD1 4.31Å; P324-L332 HydrophobicContact CG-CD1 4.48Å; P324-Y459 HydrophobicContact CB-CD1 3.93Å; P324-Y459 HydrophobicContact CB-CE1 3.97Å; P324-Y459 HydrophobicContact CG-CD1 4.44Å; P324-Y462 HydrophobicContact CG-CD1 3.56Å; P324-Y462 HydrophobicContact CG-CD2 3.73Å; P324-Y462 HydrophobicContact CG-CE1 3.89Å; P324-Y462 HydrophobicContact CG-CE2 4.07Å; P324-Y462 HydrophobicContact CG-CG 3.48Å; P324-Y462 VanDerWaalsContact CG-CG 3.48Å | ||
| 325 | T | 85.8 | Confident | 74.1 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | trans | -59.2 | 154.7 | 167.5 | -49.5 | 0 | 0 | 0 | 0 | 110 | D283 Q323 K327 I328 K329 | D283-T325 PolarHBondContact OD2-OG1 3.46Å; Q323-T325 PolarHBondContact O-N 3.41Å; T325-K327 PolarHBondContact O-N 2.95Å; T325-K327 VanDerWaalsContact O-N 3.07Å; T325-I328 WeakPolarHBondContact O-CA 3.37Å; T325-I328 WeakPolarHBondContact O-CB 3.48Å; T325-I328 PolarHBondContact O-N 3.25Å; T325-K329 PolarHBondContact O-N 3.49Å | ||
| 326 | W | 85.5 | Confident | 76.7 | Confident | 191 Ų | 191 | 64.8 Ų | 64.8 | 72% | 0.723 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -51.9 | -35 | 179.8 | -81.9 | 111.6 | 0 | 0 | 0 | 114.5 | K329 L330 | W326-K329 HydrophobicContact CD2-CD 4.35Å; W326-K329 HydrophobicContact CE3-CD 3.97Å; W326-K329 HydrophobicContact CZ3-CD 4.28Å; W326-K329 PolarHBondContact O-N 2.94Å; W326-L330 PolarHBondContact O-N 2.81Å; W326-L330 VanDerWaalsContact O-N 3.11Å |
| 327 | K | 84.7 | Confident | 79.6 | Confident | 168 Ų | 168 | 65.1 Ų | 65.1 | 73% | 0.73 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 174.5 | -65.9 | -177.1 | -179.3 | 177.8 | 0 | 111.7 | T325 L330 Q331 | T325-K327 PolarHBondContact O-N 2.95Å; T325-K327 VanDerWaalsContact O-N 3.07Å; K327-L330 PolarHBondContact O-N 3.42Å; K327-Q331 WeakPolarHBondContact O-CG 3.29Å; K327-Q331 PolarHBondContact O-N 3.43Å |
| 328 | I | 88.2 | Confident | 82.3 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 178.2 | -65.9 | 162.3 | 0 | 0 | 0 | 110.4 | D283 I294 P324 T325 L330 Q331 L332 Y459 | D283-I328 VanDerWaalsContact OD1-CD1 3.23Å; D283-I328 WeakPolarHBondContact OD1-CD1 3.34Å; I294-I328 HydrophobicContact CD1-CG2 3.95Å; P324-I328 HydrophobicContact CB-CB 3.94Å; P324-I328 HydrophobicContact CB-CG2 3.54Å; T325-I328 WeakPolarHBondContact O-CA 3.37Å; T325-I328 WeakPolarHBondContact O-CB 3.48Å; T325-I328 PolarHBondContact O-N 3.25Å; I328-L330 VanDerWaalsContact C-N 3.31Å; I328-L330 PolarHBondContact O-N 2.85Å; I328-Q331 PolarHBondContact O-N 3.3Å; I328-Q331 VanDerWaalsContact O-N 3.15Å; I328-L332 HydrophobicContact CG2-CD1 3.96Å; I328-L332 HydrophobicContact CG2-CG 4.21Å; I328-L332 WeakPolarHBondContact O-CB 3.35Å; I328-L332 WeakPolarHBondContact O-CG 3.14Å; I328-L332 PolarHBondContact O-N 3.47Å; I328-Y459 WeakPolarHBondContact CD1-OH 3.39Å; I328-Y459 HydrophobicContact CG2-CD1 4.38Å; I328-Y459 HydrophobicContact CG2-CD2 4.24Å; I328-Y459 HydrophobicContact CG2-CE1 4.1Å; I328-Y459 HydrophobicContact CG2-CE2 3.96Å; I328-Y459 HydrophobicContact CG2-CG 4.46Å |
| 329 | K | 90.1 | Very high | 84.5 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.2 | -47 | 173.9 | -69.6 | -178.5 | 171.1 | -179.8 | 0 | 111.8 | P324 T325 W326 Q331 L333 Y462 | P324-K329 HydrophobicContact CB-CG 3.9Å; P324-K329 HydrophobicContact CG-CG 3.73Å; P324-K329 WeakPolarHBondContact O-CE 3.44Å; T325-K329 PolarHBondContact O-N 3.49Å; W326-K329 HydrophobicContact CD2-CD 4.35Å; W326-K329 HydrophobicContact CE3-CD 3.97Å; W326-K329 HydrophobicContact CZ3-CD 4.28Å; W326-K329 PolarHBondContact O-N 2.94Å; K329-Q331 VanDerWaalsContact C-N 3.34Å; K329-L333 WeakPolarHBondContact O-CB 3.27Å; K329-L333 PolarHBondContact O-N 2.87Å; K329-Y462 HydrophobicContact CB-CE1 4.37Å; K329-Y462 HydrophobicContact CD-CE2 4.32Å; K329-Y462 VanDerWaalsContact CD-OH 3.32Å; K329-Y462 WeakPolarHBondContact CD-OH 3.5Å; K329-Y462 HydrophobicContact CG-CE1 3.88Å; K329-Y462 HydrophobicContact CG-CE2 4.41Å; K329-Y462 WeakPolarHBondContact CG-OH 3.46Å |
| 330 | L | 89.1 | Confident | 86.3 | Confident | 121 Ų | 121 | 62.2 Ų | 62.2 | 63% | 0.634 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.2 | -36.1 | 178.7 | -172.7 | 62.6 | 0 | 0 | 0 | 112 | W326 K327 I328 K334 | W326-L330 PolarHBondContact O-N 2.81Å; W326-L330 VanDerWaalsContact O-N 3.11Å; K327-L330 PolarHBondContact O-N 3.42Å; I328-L330 VanDerWaalsContact C-N 3.31Å; I328-L330 PolarHBondContact O-N 2.85Å; L330-K334 WeakPolarHBondContact O-CB 3.46Å; L330-K334 PolarHBondContact O-N 2.82Å |
| 331 | Q | 87.4 | Confident | 87.8 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 176 | -73.8 | 171.6 | -21.4 | 0 | 0 | 112.3 | I294 K327 I328 K329 L333 K334 G335 | I294-Q331 HydrophobicContact CD1-CB 4.04Å; K327-Q331 WeakPolarHBondContact O-CG 3.29Å; K327-Q331 PolarHBondContact O-N 3.43Å; I328-Q331 PolarHBondContact O-N 3.3Å; I328-Q331 VanDerWaalsContact O-N 3.15Å; K329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.42Å; Q331-K334 WeakPolarHBondContact O-CB 3.3Å; Q331-K334 PolarHBondContact O-N 3.22Å; Q331-K334 VanDerWaalsContact O-N 3.16Å; Q331-G335 PolarHBondContact O-N 2.84Å |
| 332 | L | 90.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 173.5 | -71.7 | 170.8 | 0 | 0 | 0 | 110.8 | I294 P324 I328 K334 G335 M336 T455 Y459 Y462 | I294-L332 HydrophobicContact CD1-CD2 3.78Å; I294-L332 HydrophobicContact CD1-CG 3.89Å; P324-L332 HydrophobicContact CB-CD1 4.31Å; P324-L332 HydrophobicContact CG-CD1 4.48Å; I328-L332 HydrophobicContact CG2-CD1 3.96Å; I328-L332 HydrophobicContact CG2-CG 4.21Å; I328-L332 WeakPolarHBondContact O-CB 3.35Å; I328-L332 WeakPolarHBondContact O-CG 3.14Å; I328-L332 PolarHBondContact O-N 3.47Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-K334 PolarHBondContact O-N 3.48Å; L332-G335 PolarHBondContact O-N 3.27Å; L332-M336 WeakPolarHBondContact O-CB 3.43Å; L332-M336 WeakPolarHBondContact O-CG 3.18Å; L332-M336 PolarHBondContact O-N 3.16Å; L332-T455 HydrophobicContact CD2-CG2 3.9Å; L332-Y459 HydrophobicContact CD1-CG 4.23Å; L332-Y462 HydrophobicContact CD1-CD1 3.93Å; L332-Y462 HydrophobicContact CD1-CE1 4.4Å |
| 333 | L | 90.8 | Very high | 89.9 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.1 | -178.9 | 61.4 | 0 | 0 | 0 | 111.4 | K329 Q331 M336 I337 L340 M466 | K329-L333 WeakPolarHBondContact O-CB 3.27Å; K329-L333 PolarHBondContact O-N 2.87Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.42Å; L333-M336 PolarHBondContact O-N 2.89Å; L333-I337 HydrophobicContact CD1-CD1 4.25Å; L333-I337 WeakPolarHBondContact O-CA 3.27Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 PolarHBondContact O-N 3.4Å; L333-L340 HydrophobicContact CD1-CD1 3.85Å; L333-M466 HydrophobicContact CD1-CE 4.35Å |
| 334 | K | 89.8 | Confident | 90.9 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 177.5 | -172.9 | -172.9 | 176.4 | -162.5 | 0 | 111.8 | L330 Q331 L332 M336 I337 | L330-K334 WeakPolarHBondContact O-CB 3.46Å; L330-K334 PolarHBondContact O-N 2.82Å; Q331-K334 WeakPolarHBondContact O-CB 3.3Å; Q331-K334 PolarHBondContact O-N 3.22Å; Q331-K334 VanDerWaalsContact O-N 3.16Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-K334 PolarHBondContact O-N 3.48Å; K334-M336 VanDerWaalsContact C-N 3.31Å; K334-M336 PolarHBondContact O-N 2.87Å; K334-I337 VanDerWaalsContact O-CG2 3.29Å; K334-I337 WeakPolarHBondContact O-CG2 3.47Å |
| 335 | G | 88.4 | Confident | 91.8 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q331 L332 | Q331-G335 PolarHBondContact O-N 2.84Å; L332-G335 PolarHBondContact O-N 3.27Å |
| 336 | M | 92.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -96.7 | -6.1 | -176.5 | -64.1 | 164.9 | 44.9 | 0 | 0 | 113.9 | L332 L333 K334 I338 S339 L340 I451 A463 A467 | L332-M336 WeakPolarHBondContact O-CB 3.43Å; L332-M336 WeakPolarHBondContact O-CG 3.18Å; L332-M336 PolarHBondContact O-N 3.16Å; L333-M336 PolarHBondContact O-N 2.89Å; K334-M336 VanDerWaalsContact C-N 3.31Å; K334-M336 PolarHBondContact O-N 2.87Å; M336-I338 VanDerWaalsContact C-N 3.28Å; M336-I338 PolarHBondContact O-N 3.37Å; M336-I338 VanDerWaalsContact O-N 3.14Å; M336-S339 PolarHBondContact O-N 3.44Å; M336-L340 HydrophobicContact CB-CD1 4.39Å; M336-L340 HydrophobicContact CB-CG 4.23Å; M336-L340 HydrophobicContact CE-CD2 4.31Å; M336-L340 WeakPolarHBondContact O-CG 3.4Å; M336-L340 PolarHBondContact O-N 2.91Å; M336-I451 HydrophobicContact CE-CB 4.16Å; M336-I451 HydrophobicContact CE-CD1 3.6Å; M336-I451 HydrophobicContact CE-CG1 3.65Å; M336-I451 HydrophobicContact CE-CG2 3.41Å; M336-I451 VanDerWaalsContact CE-CG2 3.41Å; M336-I451 HydrophobicContact CG-CG1 4.24Å; M336-I451 HydrophobicContact SD-CG1 4.36Å; M336-I451 HydrophobicContact SD-CG2 3.86Å; M336-A463 HydrophobicContact CE-CB 4.13Å; M336-A463 HydrophobicContact SD-CB 3.82Å; M336-A467 HydrophobicContact CE-CB 4.04Å |
| 337 | I | 93.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 44% | 0.441 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -38.4 | -166.7 | -164.9 | 60.9 | 0 | 0 | 0 | 113.6 | L333 K334 L340 F341 | L333-I337 HydrophobicContact CD1-CD1 4.25Å; L333-I337 WeakPolarHBondContact O-CA 3.27Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 PolarHBondContact O-N 3.4Å; K334-I337 VanDerWaalsContact O-CG2 3.29Å; K334-I337 WeakPolarHBondContact O-CG2 3.47Å; I337-L340 PolarHBondContact O-N 3.39Å; I337-F341 VanDerWaalsContact O-CB 3.31Å; I337-F341 WeakPolarHBondContact O-CB 3.24Å; I337-F341 PolarHBondContact O-N 3.35Å |
| 338 | I | 93.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 44.8 Ų | 44.8 | 59% | 0.59 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.9 | -49.6 | 179.3 | -63.3 | 175.6 | 0 | 0 | 0 | 109.5 | M336 L340 F341 C342 | M336-I338 VanDerWaalsContact C-N 3.28Å; M336-I338 PolarHBondContact O-N 3.37Å; M336-I338 VanDerWaalsContact O-N 3.14Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 2.88Å; I338-F341 PolarHBondContact O-N 3.13Å; I338-C342 WeakPolarHBondContact O-CB 3.36Å; I338-C342 PolarHBondContact O-N 3.49Å; I338-C342 PolarHBondContact O-SG 3.38Å |
| 339 | S | 94.1 | Very high | 94 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.7 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | M336 C342 L343 | M336-S339 PolarHBondContact O-N 3.44Å; S339-C342 PolarHBondContact O-N 2.91Å; S339-L343 WeakPolarHBondContact O-CB 3.39Å; S339-L343 PolarHBondContact O-N 2.94Å |
| 340 | L | 95.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 176 | -64.1 | -172.4 | 0 | 0 | 0 | 112 | L333 M336 I337 I338 L343 V344 I451 A467 S470 | L333-L340 HydrophobicContact CD1-CD1 3.85Å; M336-L340 HydrophobicContact CB-CD1 4.39Å; M336-L340 HydrophobicContact CB-CG 4.23Å; M336-L340 HydrophobicContact CE-CD2 4.31Å; M336-L340 WeakPolarHBondContact O-CG 3.4Å; M336-L340 PolarHBondContact O-N 2.91Å; I337-L340 PolarHBondContact O-N 3.39Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 2.88Å; L340-L343 PolarHBondContact O-N 2.92Å; L340-V344 WeakPolarHBondContact O-CG2 3.04Å; L340-V344 PolarHBondContact O-N 2.83Å; L340-I451 HydrophobicContact CD2-CD1 4.08Å; L340-A467 HydrophobicContact CD2-CB 3.7Å; L340-S470 WeakPolarHBondContact CB-OG 3.07Å; L340-S470 WeakPolarHBondContact CD2-OG 3.18Å |
| 341 | F | 96.6 | Very high | 94.5 | Very high | 139 Ų | 139 | 41.1 Ų | 41.1 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.7 | -41.5 | 177.3 | 179.2 | -97.3 | 0 | 0 | 0 | 112 | I337 I338 L343 V344 S345 | I337-F341 VanDerWaalsContact O-CB 3.31Å; I337-F341 WeakPolarHBondContact O-CB 3.24Å; I337-F341 PolarHBondContact O-N 3.35Å; I338-F341 PolarHBondContact O-N 3.13Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.28Å; F341-V344 PolarHBondContact O-N 3.45Å; F341-S345 WeakPolarHBondContact O-CB 3.45Å; F341-S345 PolarHBondContact O-N 2.88Å |
| 342 | C | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 175 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | I338 S339 S345 V346 W401 | I338-C342 WeakPolarHBondContact O-CB 3.36Å; I338-C342 PolarHBondContact O-N 3.49Å; I338-C342 PolarHBondContact O-SG 3.38Å; S339-C342 PolarHBondContact O-N 2.91Å; C342-S345 PolarHBondContact O-N 2.91Å; C342-V346 WeakPolarHBondContact O-CG2 3.29Å; C342-V346 PolarHBondContact O-N 3.22Å; C342-W401 WeakPolarHBondContact SG-CA 3.49Å; C342-W401 WeakPolarHBondContact SG-CB 3.4Å |
| 343 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 176.8 | -171.1 | 63.2 | 0 | 0 | 0 | 111.9 | S339 L340 F341 S345 V346 Y347 T443 Y444 T447 F448 | S339-L343 WeakPolarHBondContact O-CB 3.39Å; S339-L343 PolarHBondContact O-N 2.94Å; L340-L343 PolarHBondContact O-N 2.92Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.28Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.42Å; L343-V346 PolarHBondContact O-N 2.92Å; L343-Y347 HydrophobicContact CD1-CD2 3.65Å; L343-Y347 HydrophobicContact CD1-CE2 3.47Å; L343-Y347 VanDerWaalsContact CD1-CE2 3.47Å; L343-Y347 HydrophobicContact CG-CD2 4.18Å; L343-Y347 HydrophobicContact CG-CE2 4.34Å; L343-Y347 WeakPolarHBondContact O-CD2 3.35Å; L343-Y347 PolarHBondContact O-N 2.81Å; L343-Y347 VanDerWaalsContact O-N 3.11Å; L343-T443 HydrophobicContact CD1-CG2 4.15Å; L343-Y444 HydrophobicContact CD1-CD2 4.37Å; L343-T447 HydrophobicContact CB-CG2 4.27Å; L343-T447 HydrophobicContact CD2-CG2 4Å; L343-F448 HydrophobicContact CD2-CE2 4.02Å; L343-F448 HydrophobicContact CD2-CZ 4.37Å |
| 344 | V | 98.2 | Very high | 95 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -49.5 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | L340 F341 F348 S470 I473 G474 | L340-V344 WeakPolarHBondContact O-CG2 3.04Å; L340-V344 PolarHBondContact O-N 2.83Å; F341-V344 PolarHBondContact O-N 3.45Å; V344-F348 WeakPolarHBondContact O-CB 3.47Å; V344-F348 PolarHBondContact O-N 2.91Å; V344-S470 WeakPolarHBondContact CG2-O 2.96Å; V344-I473 HydrophobicContact CG1-CG2 3.88Å; V344-I473 HydrophobicContact CG2-CB 4.26Å; V344-I473 HydrophobicContact CG2-CG2 4.27Å; V344-G474 WeakPolarHBondContact O-CA 3.37Å |
| 345 | S | 98.1 | Very high | 94.8 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | -174.3 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | F341 C342 L343 F348 F349 S404 | F341-S345 WeakPolarHBondContact O-CB 3.45Å; F341-S345 PolarHBondContact O-N 2.88Å; C342-S345 PolarHBondContact O-N 2.91Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.42Å; S345-F348 PolarHBondContact O-N 2.92Å; S345-F349 WeakPolarHBondContact O-CD2 3.44Å; S345-F349 PolarHBondContact O-N 3.44Å; S345-F349 WeakPolarHBondContact OG-CE2 3.37Å; S345-S404 WeakPolarHBondContact CB-OG 3.26Å; S345-S404 PolarHBondContact OG-OG 3.1Å |
| 346 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -51.6 | 175.3 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | C342 L343 F348 F349 E350 Q407 T443 | C342-V346 WeakPolarHBondContact O-CG2 3.29Å; C342-V346 PolarHBondContact O-N 3.22Å; L343-V346 PolarHBondContact O-N 2.92Å; V346-F348 VanDerWaalsContact C-N 3.26Å; V346-F348 PolarHBondContact O-N 3.31Å; V346-F349 PolarHBondContact O-N 3Å; V346-E350 WeakPolarHBondContact O-CB 3.39Å; V346-E350 PolarHBondContact O-N 3.3Å; V346-Q407 HydrophobicContact CG1-CG 4.3Å; V346-Q407 HydrophobicContact CG2-CB 4.31Å; V346-T443 HydrophobicContact CB-CG2 4.04Å; V346-T443 HydrophobicContact CG1-CG2 4.4Å; V346-T443 HydrophobicContact CG2-CG2 3.74Å; V346-T443 WeakPolarHBondContact CG2-OG1 3.29Å |
| 347 | Y | 97.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 179.4 | -89.2 | -99.1 | 0 | 0 | 0 | 112.1 | L343 Y351 R389 Y444 D471 V475 | L343-Y347 HydrophobicContact CD1-CD2 3.65Å; L343-Y347 HydrophobicContact CD1-CE2 3.47Å; L343-Y347 VanDerWaalsContact CD1-CE2 3.47Å; L343-Y347 HydrophobicContact CG-CD2 4.18Å; L343-Y347 HydrophobicContact CG-CE2 4.34Å; L343-Y347 WeakPolarHBondContact O-CD2 3.35Å; L343-Y347 PolarHBondContact O-N 2.81Å; L343-Y347 VanDerWaalsContact O-N 3.11Å; Y347-Y351 AromaticContact CD1-CD2 3.98Å; Y347-Y351 HydrophobicContact CD1-CD2 3.98Å; Y347-Y351 AromaticContact CD1-CE2 3.54Å; Y347-Y351 HydrophobicContact CD1-CE2 3.54Å; Y347-Y351 AromaticContact CE1-CE2 3.9Å; Y347-Y351 HydrophobicContact CE1-CE2 3.9Å; Y347-Y351 WeakPolarHBondContact O-CB 3.42Å; Y347-Y351 WeakPolarHBondContact O-CD2 3.02Å; Y347-Y351 PolarHBondContact O-N 2.93Å; Y347-R389 PolarHBondContact OH-NH2 3.16Å; Y347-Y444 AromaticContact CE2-CD2 3.96Å; Y347-Y444 HydrophobicContact CE2-CD2 3.96Å; Y347-Y444 AromaticContact CZ-CD2 3.77Å; Y347-Y444 WeakPolarHBondContact OH-CD2 3.19Å; Y347-D471 HydrophobicContact CD1-CB 4.07Å; Y347-D471 HydrophobicContact CD2-CB 4.21Å; Y347-D471 HydrophobicContact CE1-CB 4.05Å; Y347-D471 HydrophobicContact CE2-CB 4.22Å; Y347-D471 HydrophobicContact CG-CB 4.12Å; Y347-V475 HydrophobicContact CD1-CG2 3.65Å; Y347-V475 HydrophobicContact CE1-CG2 4.5Å; Y347-V475 HydrophobicContact CG-CG2 4.45Å |
| 348 | F | 97.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 22% | 0.219 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -54.5 | 174.2 | 175.7 | -96.6 | 0 | 0 | 0 | 111.6 | V344 S345 V346 L352 G474 A478 L481 | V344-F348 WeakPolarHBondContact O-CB 3.47Å; V344-F348 PolarHBondContact O-N 2.91Å; S345-F348 PolarHBondContact O-N 2.92Å; V346-F348 VanDerWaalsContact C-N 3.26Å; V346-F348 PolarHBondContact O-N 3.31Å; F348-L352 HydrophobicContact CE1-CD2 4.09Å; F348-L352 HydrophobicContact CZ-CD2 4.19Å; F348-L352 WeakPolarHBondContact O-CB 3.34Å; F348-L352 PolarHBondContact O-N 3.35Å; F348-G474 WeakPolarHBondContact CA-O 3.34Å; F348-A478 HydrophobicContact CD2-CB 4.14Å; F348-A478 WeakPolarHBondContact O-CB 3.34Å; F348-L481 HydrophobicContact CE2-CD2 4.33Å; F348-L481 HydrophobicContact CZ-CD2 3.66Å |
| 349 | F | 98.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 18% | 0.184 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | -178.9 | -71.4 | -60.2 | 0 | 0 | 0 | 112.7 | S345 V346 L352 I353 Q407 A408 F411 | S345-F349 WeakPolarHBondContact O-CD2 3.44Å; S345-F349 PolarHBondContact O-N 3.44Å; S345-F349 WeakPolarHBondContact OG-CE2 3.37Å; V346-F349 PolarHBondContact O-N 3Å; F349-L352 PolarHBondContact O-N 2.92Å; F349-I353 VanDerWaalsContact O-CG1 3.24Å; F349-I353 WeakPolarHBondContact O-CG1 3.28Å; F349-I353 PolarHBondContact O-N 3.45Å; F349-Q407 HydrophobicContact CB-CB 4.48Å; F349-Q407 HydrophobicContact CB-CG 3.8Å; F349-A408 HydrophobicContact CD2-CB 3.67Å; F349-A408 HydrophobicContact CE1-CB 4.36Å; F349-A408 HydrophobicContact CE2-CB 3.4Å; F349-A408 HydrophobicContact CG-CB 4.28Å; F349-A408 HydrophobicContact CZ-CB 3.79Å; F349-F411 HydrophobicContact CB-CB 4.22Å; F349-F411 HydrophobicContact CD1-CB 3.87Å; F349-F411 AromaticContact CD1-CD1 3.93Å; F349-F411 HydrophobicContact CD1-CD1 3.93Å; F349-F411 AromaticContact CD1-CG 3.9Å; F349-F411 HydrophobicContact CD1-CG 3.9Å; F349-F411 HydrophobicContact CE1-CD1 4.11Å; F349-F411 HydrophobicContact CG-CB 4.36Å |
| 350 | E | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.2 | -55.8 | 173.9 | -174.8 | 177.2 | 158 | 0 | 0 | 111.5 | V346 L352 I353 N354 Y381 Q407 G440 | V346-E350 WeakPolarHBondContact O-CB 3.39Å; V346-E350 PolarHBondContact O-N 3.3Å; E350-L352 VanDerWaalsContact C-N 3.3Å; E350-L352 PolarHBondContact O-N 2.87Å; E350-I353 WeakPolarHBondContact O-CB 3.14Å; E350-I353 PolarHBondContact O-N 3.36Å; E350-N354 PolarHBondContact O-N 3.44Å; E350-N354 PolarHBondContact O-ND2 2.94Å; E350-Y381 HydrophobicContact CG-CE2 3.81Å; E350-Y381 WeakPolarHBondContact OE1-CE2 3.31Å; E350-Y381 PolarHBondContact OE1-OH 2.88Å; E350-Q407 VanDerWaalsContact CB-NE2 3.31Å; E350-G440 WeakPolarHBondContact OE2-CA 3.48Å |
| 351 | Y | 93.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 15% | 0.153 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.2 | -27.2 | -178.8 | -82 | -104.1 | 0 | 0 | 0 | 112.6 | Y347 N354 Q355 V475 | Y347-Y351 AromaticContact CD1-CD2 3.98Å; Y347-Y351 HydrophobicContact CD1-CD2 3.98Å; Y347-Y351 AromaticContact CD1-CE2 3.54Å; Y347-Y351 HydrophobicContact CD1-CE2 3.54Å; Y347-Y351 AromaticContact CE1-CE2 3.9Å; Y347-Y351 HydrophobicContact CE1-CE2 3.9Å; Y347-Y351 WeakPolarHBondContact O-CB 3.42Å; Y347-Y351 WeakPolarHBondContact O-CD2 3.02Å; Y347-Y351 PolarHBondContact O-N 2.93Å; Y351-N354 PolarHBondContact O-N 3.33Å; Y351-Q355 VanDerWaalsContact O-CB 3.22Å; Y351-Q355 WeakPolarHBondContact O-CB 3.31Å; Y351-Q355 VanDerWaalsContact O-CG 3.29Å; Y351-Q355 WeakPolarHBondContact O-CG 3.45Å; Y351-Q355 PolarHBondContact O-N 2.93Å; Y351-V475 HydrophobicContact CD1-CB 4.39Å; Y351-V475 HydrophobicContact CD1-CG1 3.54Å; Y351-V475 HydrophobicContact CD1-CG2 4.13Å; Y351-V475 HydrophobicContact CD2-CG2 3.66Å; Y351-V475 HydrophobicContact CE1-CG1 3.67Å; Y351-V475 HydrophobicContact CE1-CG2 4.03Å; Y351-V475 HydrophobicContact CE2-CG2 3.58Å; Y351-V475 HydrophobicContact CG-CB 4.35Å; Y351-V475 HydrophobicContact CG-CG1 3.95Å; Y351-V475 HydrophobicContact CG-CG2 3.91Å |
| 352 | L | 93 | Very high | 93.1 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 173.1 | -165.8 | 62.5 | 0 | 0 | 0 | 110.7 | F348 F349 E350 S356 F411 A478 L481 L485 | F348-L352 HydrophobicContact CE1-CD2 4.09Å; F348-L352 HydrophobicContact CZ-CD2 4.19Å; F348-L352 WeakPolarHBondContact O-CB 3.34Å; F348-L352 PolarHBondContact O-N 3.35Å; F349-L352 PolarHBondContact O-N 2.92Å; E350-L352 VanDerWaalsContact C-N 3.3Å; E350-L352 PolarHBondContact O-N 2.87Å; L352-S356 WeakPolarHBondContact O-CB 3.44Å; L352-S356 PolarHBondContact O-N 2.85Å; L352-S356 PolarHBondContact O-OG 3.12Å; L352-F411 HydrophobicContact CB-CD2 4.41Å; L352-F411 HydrophobicContact CB-CE2 4.31Å; L352-F411 HydrophobicContact CD2-CD2 4.06Å; L352-F411 HydrophobicContact CD2-CE1 4.24Å; L352-F411 HydrophobicContact CD2-CE2 3.45Å; L352-F411 VanDerWaalsContact CD2-CE2 3.45Å; L352-F411 HydrophobicContact CD2-CZ 3.55Å; L352-F411 HydrophobicContact CG-CD2 4.22Å; L352-F411 HydrophobicContact CG-CE2 3.64Å; L352-F411 HydrophobicContact CG-CZ 4.21Å; L352-A478 HydrophobicContact CB-CB 4.29Å; L352-L481 HydrophobicContact CD1-CB 4.13Å; L352-L481 HydrophobicContact CD1-CD2 4.2Å; L352-L481 HydrophobicContact CD1-CG 4.1Å; L352-L481 HydrophobicContact CD2-CD2 3.95Å; L352-L485 HydrophobicContact CD1-CD2 3.92Å; L352-L485 HydrophobicContact CD2-CD2 4.11Å; L352-L485 HydrophobicContact CG-CD2 3.96Å |
| 353 | I | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -59 | -54.8 | 171.8 | -65.8 | 163.8 | 0 | 0 | 0 | 110 | F349 E350 Q355 L357 F358 F411 C414 E436 | F349-I353 VanDerWaalsContact O-CG1 3.24Å; F349-I353 WeakPolarHBondContact O-CG1 3.28Å; F349-I353 PolarHBondContact O-N 3.45Å; E350-I353 WeakPolarHBondContact O-CB 3.14Å; E350-I353 PolarHBondContact O-N 3.36Å; I353-Q355 PolarHBondContact O-N 3.29Å; I353-L357 HydrophobicContact CG1-CD1 4.41Å; I353-L357 WeakPolarHBondContact O-CB 3.28Å; I353-L357 PolarHBondContact O-N 2.83Å; I353-F358 HydrophobicContact CG2-CD1 3.86Å; I353-F358 HydrophobicContact CG2-CE1 3.44Å; I353-F358 VanDerWaalsContact CG2-CE1 3.44Å; I353-F358 HydrophobicContact CG2-CZ 4.35Å; I353-F358 PolarHBondContact O-N 2.83Å; I353-F411 HydrophobicContact CD1-CB 4.01Å; I353-F411 HydrophobicContact CG1-CB 3.96Å; I353-F411 HydrophobicContact CG1-CD2 3.84Å; I353-F411 HydrophobicContact CG1-CG 4.41Å; I353-C414 HydrophobicContact CG1-CB 4.47Å; I353-C414 HydrophobicContact CG2-CB 4.42Å; I353-E436 HydrophobicContact CD1-CG 3.97Å |
| 354 | N | 91.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -60.4 | -41.8 | -174.9 | -74.4 | -47.2 | 0 | 0 | 0 | 113.4 | E350 Y351 F358 Y381 E436 | E350-N354 PolarHBondContact O-N 3.44Å; E350-N354 PolarHBondContact O-ND2 2.94Å; Y351-N354 PolarHBondContact O-N 3.33Å; N354-F358 HydrophobicContact CB-CE2 4.47Å; N354-F358 WeakPolarHBondContact OD1-CE2 3.4Å; N354-F358 WeakPolarHBondContact OD1-CZ 3.31Å; N354-Y381 VanDerWaalsContact ND2-CE2 3.35Å; N354-Y381 WeakPolarHBondContact ND2-CE2 3.43Å; N354-E436 PolarHBondContact ND2-OE1 2.95Å; N354-E436 PolarHBondContact OD1-OE1 3.42Å |
| 355 | Q | 86.5 | Confident | 91.6 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -91.9 | -31.4 | -173 | -64.5 | 179.3 | -0.9 | 0 | 0 | 113.7 | L109 Y351 I353 G479 S482 | L109-Q355 HydrophobicContact CD1-CG 4.39Å; Y351-Q355 VanDerWaalsContact O-CB 3.22Å; Y351-Q355 WeakPolarHBondContact O-CB 3.31Å; Y351-Q355 VanDerWaalsContact O-CG 3.29Å; Y351-Q355 WeakPolarHBondContact O-CG 3.45Å; Y351-Q355 PolarHBondContact O-N 2.93Å; I353-Q355 PolarHBondContact O-N 3.29Å; Q355-G479 VanDerWaalsContact OE1-CA 3.22Å; Q355-S482 PolarHBondContact OE1-OG 3.46Å |
| 356 | S | 86.8 | Confident | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -102.1 | -31.2 | -175.8 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | L352 L485 H486 | L352-S356 WeakPolarHBondContact O-CB 3.44Å; L352-S356 PolarHBondContact O-N 2.85Å; L352-S356 PolarHBondContact O-OG 3.12Å; S356-L485 WeakPolarHBondContact OG-CD2 3.15Å; S356-H486 PolarHBondContact O-ND1 3.08Å |
| 357 | L | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -106.8 | -33.1 | -168.2 | -53.2 | -174.5 | 0 | 0 | 0 | 113.8 | I353 E359 L360 L361 F411 C414 L415 V418 L489 | I353-L357 HydrophobicContact CG1-CD1 4.41Å; I353-L357 WeakPolarHBondContact O-CB 3.28Å; I353-L357 PolarHBondContact O-N 2.83Å; L357-E359 VanDerWaalsContact C-N 3.3Å; L357-E359 PolarHBondContact O-N 3.29Å; L357-L360 CarbonylContact O-C 3.57Å; L357-L360 WeakPolarHBondContact O-CA 3.43Å; L357-L360 PolarHBondContact O-N 3.35Å; L357-L361 WeakPolarHBondContact O-CG 3.09Å; L357-L361 PolarHBondContact O-N 3.1Å; L357-F411 HydrophobicContact CD1-CD2 3.95Å; L357-F411 HydrophobicContact CD1-CE2 3.89Å; L357-F411 HydrophobicContact CG-CE2 4.49Å; L357-C414 HydrophobicContact CD1-CB 3.63Å; L357-L415 HydrophobicContact CD1-CB 4.2Å; L357-L415 HydrophobicContact CD2-CD1 3.97Å; L357-V418 HydrophobicContact CB-CG2 4.13Å; L357-V418 HydrophobicContact CD2-CG2 4.3Å; L357-L489 HydrophobicContact CD2-CD1 3.42Å; L357-L489 VanDerWaalsContact CD2-CD1 3.42Å |
| 358 | F | 89.2 | Confident | 90 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -38.4 | -174.6 | -86.1 | 14.3 | 0 | 0 | 0 | 114.5 | I353 N354 L360 L361 Y374 Y377 I433 E436 | I353-F358 HydrophobicContact CG2-CD1 3.86Å; I353-F358 HydrophobicContact CG2-CE1 3.44Å; I353-F358 VanDerWaalsContact CG2-CE1 3.44Å; I353-F358 HydrophobicContact CG2-CZ 4.35Å; I353-F358 PolarHBondContact O-N 2.83Å; N354-F358 HydrophobicContact CB-CE2 4.47Å; N354-F358 WeakPolarHBondContact OD1-CE2 3.4Å; N354-F358 WeakPolarHBondContact OD1-CZ 3.31Å; F358-L360 VanDerWaalsContact C-N 3.26Å; F358-L360 PolarHBondContact O-N 3.37Å; F358-L361 HydrophobicContact CD1-CD1 4.11Å; F358-L361 PolarHBondContact O-N 3.18Å; F358-Y374 HydrophobicContact CB-CD2 3.96Å; F358-Y374 HydrophobicContact CB-CE2 3.83Å; F358-Y374 HydrophobicContact CD2-CE2 4.49Å; F358-Y377 HydrophobicContact CG-CD2 4.49Å; F358-I433 HydrophobicContact CE1-CD1 4.13Å; F358-I433 HydrophobicContact CE1-CG1 3.98Å; F358-I433 HydrophobicContact CE1-CG2 4.34Å; F358-I433 HydrophobicContact CE2-CG2 4.48Å; F358-I433 HydrophobicContact CZ-CD1 4.43Å; F358-I433 HydrophobicContact CZ-CG1 4.21Å; F358-I433 HydrophobicContact CZ-CG2 3.71Å; F358-E436 VanDerWaalsContact CZ-OE2 3.27Å; F358-E436 WeakPolarHBondContact CZ-OE2 3.31Å |
| 359 | E | 84.4 | Confident | 89.5 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.9 | 177.3 | -176.5 | 164.5 | -158.7 | 0 | 0 | 112.5 | N99 L357 H486 | N99-E359 WeakPolarHBondContact CB-OE1 3.4Å; L357-E359 VanDerWaalsContact C-N 3.3Å; L357-E359 PolarHBondContact O-N 3.29Å; E359-H486 IonicContact OE2-CE1 2.75Å |
| 360 | L | 86.5 | Confident | 88.6 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -15.1 | -179.9 | -56 | 177.5 | 0 | 0 | 0 | 112.8 | I98 L357 F358 Y362 V418 L489 L493 | I98-L360 HydrophobicContact CG2-CD2 4.22Å; L357-L360 CarbonylContact O-C 3.57Å; L357-L360 WeakPolarHBondContact O-CA 3.43Å; L357-L360 PolarHBondContact O-N 3.35Å; F358-L360 VanDerWaalsContact C-N 3.26Å; F358-L360 PolarHBondContact O-N 3.37Å; L360-Y362 PolarHBondContact O-N 2.78Å; L360-Y362 VanDerWaalsContact O-N 3.13Å; L360-V418 HydrophobicContact CB-CG1 3.73Å; L360-V418 HydrophobicContact CB-CG2 4.16Å; L360-V418 HydrophobicContact CD1-CG1 4.12Å; L360-L489 HydrophobicContact CD1-CB 3.52Å; L360-L489 HydrophobicContact CD1-CD1 3.74Å; L360-L489 HydrophobicContact CD1-CG 4.26Å; L360-L493 HydrophobicContact CD1-CD1 4.29Å; L360-L493 HydrophobicContact CD2-CD1 4.47Å |
| 361 | L | 89.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -76.5 | 94.3 | 177.5 | -78.3 | 173.5 | 0 | 0 | 0 | 111.3 | L357 F358 Y377 Q417 V418 M429 | L357-L361 WeakPolarHBondContact O-CG 3.09Å; L357-L361 PolarHBondContact O-N 3.1Å; F358-L361 HydrophobicContact CD1-CD1 4.11Å; F358-L361 PolarHBondContact O-N 3.18Å; L361-Y377 HydrophobicContact CB-CE2 3.83Å; L361-Y377 VanDerWaalsContact O-CE2 3.26Å; L361-Y377 WeakPolarHBondContact O-CE2 3.25Å; L361-Y377 PolarHBondContact O-OH 2.67Å; L361-Q417 HydrophobicContact CD2-CB 4.12Å; L361-Q417 HydrophobicContact CD2-CG 3.63Å; L361-V418 HydrophobicContact CD2-CG2 3.59Å; L361-V418 HydrophobicContact CG-CG2 3.76Å; L361-M429 HydrophobicContact CD1-CE 4.14Å; L361-M429 HydrophobicContact CD1-SD 4.44Å; L361-M429 HydrophobicContact CD2-SD 4.26Å | ||
| 362 | Y | 89.6 | Confident | 87.2 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 45% | 0.447 | 28% | 0.283 | S | S | . | . | trans | -123.6 | 135.2 | -177.3 | 179.9 | -114.8 | 0 | 0 | 0 | 113.9 | L360 Q364 A370 | L360-Y362 PolarHBondContact O-N 2.78Å; L360-Y362 VanDerWaalsContact O-N 3.13Å; Y362-Q364 HydrophobicContact CD1-CG 4.1Å; Y362-Q364 HydrophobicContact CE1-CB 4.43Å; Y362-Q364 HydrophobicContact CE1-CG 3.41Å; Y362-Q364 VanDerWaalsContact CE1-CG 3.41Å; Y362-A370 HydrophobicContact CD2-CB 3.72Å; Y362-A370 HydrophobicContact CE2-CB 3.73Å | ||
| 363 | F | 91.9 | Very high | 87 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | trans | -119.2 | 115 | 176.3 | -68.3 | -101.7 | 0 | 0 | 0 | 111.4 | T366 Q373 Y377 I423 I426 M429 | F363-T366 HydrophobicContact CB-CG2 3.79Å; F363-T366 PolarHBondContact O-OG1 2.84Å; F363-Q373 PolarHBondContact O-NE2 3.36Å; F363-Y377 WeakPolarHBondContact CD2-OH 3.13Å; F363-I423 HydrophobicContact CE1-CB 4.41Å; F363-I423 HydrophobicContact CE1-CG2 4.19Å; F363-I423 VanDerWaalsContact CE1-O 3.24Å; F363-I423 WeakPolarHBondContact CE1-O 3.31Å; F363-I423 HydrophobicContact CZ-CB 4.49Å; F363-I423 HydrophobicContact CZ-CG2 4.37Å; F363-I426 HydrophobicContact CB-CB 4.15Å; F363-I426 HydrophobicContact CB-CD1 4.43Å; F363-I426 HydrophobicContact CB-CG1 4.49Å; F363-I426 HydrophobicContact CD1-CB 4.19Å; F363-I426 HydrophobicContact CD2-CB 4.17Å; F363-I426 HydrophobicContact CD2-CD1 4.35Å; F363-I426 HydrophobicContact CD2-CG1 3.95Å; F363-I426 HydrophobicContact CE2-CG1 4.44Å; F363-I426 HydrophobicContact CG-CB 3.91Å; F363-I426 HydrophobicContact CG-CG1 4.19Å; F363-M429 HydrophobicContact CE2-CB 3.79Å; F363-M429 HydrophobicContact CE2-CG 3.83Å; F363-M429 HydrophobicContact CZ-CB 3.65Å; F363-M429 HydrophobicContact CZ-CG 3.99Å | ||
| 364 | Q | 85.8 | Confident | 86.6 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 73% | 0.729 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -70.7 | -33.8 | 178.5 | -71.4 | 178.2 | -3.1 | 0 | 0 | 113.3 | Y362 T366 | Y362-Q364 HydrophobicContact CD1-CG 4.1Å; Y362-Q364 HydrophobicContact CE1-CB 4.43Å; Y362-Q364 HydrophobicContact CE1-CG 3.41Å; Y362-Q364 VanDerWaalsContact CE1-CG 3.41Å; Q364-T366 PolarHBondContact O-N 3.13Å |
| 365 | N | 83.7 | Confident | 86.4 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 80% | 0.802 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81.6 | 44.3 | -173.7 | -69.3 | -26.9 | 0 | 0 | 0 | 113.1 | ||
| 366 | T | 87.1 | Confident | 86.6 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -139.8 | 159.4 | -178.6 | 80.4 | 0 | 0 | 0 | 0 | 110.8 | F363 Q364 L368 Q373 I426 | F363-T366 HydrophobicContact CB-CG2 3.79Å; F363-T366 PolarHBondContact O-OG1 2.84Å; Q364-T366 PolarHBondContact O-N 3.13Å; T366-L368 PolarHBondContact O-N 3.45Å; T366-L368 PolarHBondContact OG1-N 2.97Å; T366-L368 PolarHBondContact OG1-O 3.25Å; T366-Q373 PolarHBondContact OG1-NE2 3.26Å; T366-I426 HydrophobicContact CG2-CB 3.73Å; T366-I426 HydrophobicContact CG2-CD1 4.11Å; T366-I426 HydrophobicContact CG2-CG2 3.48Å; T366-I426 VanDerWaalsContact CG2-CG2 3.48Å |
| 367 | R | 87.9 | Confident | 86.9 | Confident | 257 Ų | 257 | 74.2 Ų | 74.2 | 97% | 0.97 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -76.3 | -4.1 | 172.1 | -63.7 | -178.5 | -177 | 169.2 | 0.7 | 112.8 | ||
| 368 | L | 86.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -94.6 | 130.7 | -173 | -61.5 | 174.4 | 0 | 0 | 0 | 110.2 | T366 E372 Q373 I426 F430 | T366-L368 PolarHBondContact O-N 3.45Å; T366-L368 PolarHBondContact OG1-N 2.97Å; T366-L368 PolarHBondContact OG1-O 3.25Å; L368-E372 HydrophobicContact CB-CB 4.26Å; L368-E372 HydrophobicContact CD2-CB 4.25Å; L368-Q373 HydrophobicContact CB-CG 3.73Å; L368-Q373 HydrophobicContact CD1-CG 4.43Å; L368-Q373 PolarHBondContact O-NE2 3.37Å; L368-I426 HydrophobicContact CD1-CD1 4.24Å; L368-F430 HydrophobicContact CD1-CZ 4.01Å |
| 369 | T | 86.3 | Confident | 86.9 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | trans | -67.1 | 158.9 | 169.9 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | E372 Q373 | T369-E372 WeakPolarHBondContact CB-OE2 3.41Å; T369-E372 PolarHBondContact N-OE2 3.06Å; T369-E372 WeakPolarHBondContact O-CB 3.14Å; T369-E372 PolarHBondContact O-N 3.39Å; T369-E372 WeakPolarHBondContact OG1-CG 3.16Å; T369-E372 PolarHBondContact OG1-OE2 3.46Å; T369-Q373 WeakPolarHBondContact O-CG 3.27Å; T369-Q373 PolarHBondContact O-N 3.29Å | ||
| 370 | A | 79.8 | Confident | 87.4 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.5 | -43.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y362 E372 Q373 Y374 | Y362-A370 HydrophobicContact CD2-CB 3.72Å; Y362-A370 HydrophobicContact CE2-CB 3.73Å; A370-E372 VanDerWaalsContact C-N 3.34Å; A370-E372 PolarHBondContact O-N 3.37Å; A370-Q373 PolarHBondContact O-N 3.42Å; A370-Y374 PolarHBondContact O-N 2.97Å; A370-Y374 VanDerWaalsContact O-N 3.15Å |
| 371 | P | 78.3 | Confident | 87.9 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 175.2 | -22.7 | 35.3 | 0 | 0 | 0 | 113.9 | R375 | P371-R375 VanDerWaalsContact O-CG 3.3Å; P371-R375 WeakPolarHBondContact O-CG 3.43Å; P371-R375 PolarHBondContact O-N 3.27Å; P371-R375 VanDerWaalsContact O-N 3.1Å |
| 372 | E | 82.5 | Confident | 88 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 176.1 | -71.9 | 168.3 | 145 | 0 | 0 | 111.6 | L368 T369 A370 R375 W376 | L368-E372 HydrophobicContact CB-CB 4.26Å; L368-E372 HydrophobicContact CD2-CB 4.25Å; T369-E372 WeakPolarHBondContact CB-OE2 3.41Å; T369-E372 PolarHBondContact N-OE2 3.06Å; T369-E372 WeakPolarHBondContact O-CB 3.14Å; T369-E372 PolarHBondContact O-N 3.39Å; T369-E372 WeakPolarHBondContact OG1-CG 3.16Å; T369-E372 PolarHBondContact OG1-OE2 3.46Å; A370-E372 VanDerWaalsContact C-N 3.34Å; A370-E372 PolarHBondContact O-N 3.37Å; E372-R375 PolarHBondContact O-N 3.21Å; E372-W376 VanDerWaalsContact O-CD1 3.25Å; E372-W376 PolarHBondContact O-N 3.29Å |
| 373 | Q | 87.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 174.8 | -65.1 | -178.8 | 32.9 | 0 | 0 | 110.6 | F363 T366 L368 T369 A370 R375 W376 Y377 I426 | F363-Q373 PolarHBondContact O-NE2 3.36Å; T366-Q373 PolarHBondContact OG1-NE2 3.26Å; L368-Q373 HydrophobicContact CB-CG 3.73Å; L368-Q373 HydrophobicContact CD1-CG 4.43Å; L368-Q373 PolarHBondContact O-NE2 3.37Å; T369-Q373 WeakPolarHBondContact O-CG 3.27Å; T369-Q373 PolarHBondContact O-N 3.29Å; A370-Q373 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.34Å; Q373-R375 PolarHBondContact O-N 3.45Å; Q373-W376 PolarHBondContact O-N 2.86Å; Q373-W376 VanDerWaalsContact O-N 3.12Å; Q373-Y377 HydrophobicContact CB-CE2 4.22Å; Q373-Y377 WeakPolarHBondContact O-CD1 3.41Å; Q373-Y377 WeakPolarHBondContact O-CD2 3.42Å; Q373-Y377 PolarHBondContact O-N 2.99Å; Q373-Y377 PolarHBondContact OE1-OH 2.85Å; Q373-I426 HydrophobicContact CB-CD1 4.31Å; Q373-I426 HydrophobicContact CG-CD1 3.67Å |
| 374 | Y | 86.2 | Confident | 88.5 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 176.3 | 178.2 | -93 | 0 | 0 | 0 | 112.8 | F358 A370 W376 Y377 Q378 | F358-Y374 HydrophobicContact CB-CD2 3.96Å; F358-Y374 HydrophobicContact CB-CE2 3.83Å; F358-Y374 HydrophobicContact CD2-CE2 4.49Å; A370-Y374 PolarHBondContact O-N 2.97Å; A370-Y374 VanDerWaalsContact O-N 3.15Å; Y374-W376 PolarHBondContact O-N 3.23Å; Y374-Y377 WeakPolarHBondContact O-CB 3.5Å; Y374-Y377 PolarHBondContact O-N 3.02Å; Y374-Q378 HydrophobicContact CD1-CG 4.34Å; Y374-Q378 HydrophobicContact CE1-CG 3.9Å; Y374-Q378 WeakPolarHBondContact O-CG 3.49Å; Y374-Q378 PolarHBondContact O-N 3.33Å; Y374-Q378 PolarHBondContact OH-NE2 3.32Å |
| 375 | R | 86.9 | Confident | 88.9 | Confident | 172 Ų | 172 | 66 Ų | 66 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 176.6 | -72.5 | 172.9 | -175 | 178.5 | 1.4 | 112 | P371 E372 Q373 Q378 V379 | P371-R375 VanDerWaalsContact O-CG 3.3Å; P371-R375 WeakPolarHBondContact O-CG 3.43Å; P371-R375 PolarHBondContact O-N 3.27Å; P371-R375 VanDerWaalsContact O-N 3.1Å; E372-R375 PolarHBondContact O-N 3.21Å; Q373-R375 VanDerWaalsContact C-N 3.34Å; Q373-R375 PolarHBondContact O-N 3.45Å; R375-Q378 PolarHBondContact O-N 2.91Å; R375-V379 WeakPolarHBondContact O-CG2 3.42Å; R375-V379 PolarHBondContact O-N 3.19Å |
| 376 | W | 91.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 62 Ų | 62 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.4 | -85.6 | 112.6 | 0 | 0 | 0 | 112.5 | E372 Q373 Y374 V379 L380 F430 | E372-W376 VanDerWaalsContact O-CD1 3.25Å; E372-W376 PolarHBondContact O-N 3.29Å; Q373-W376 PolarHBondContact O-N 2.86Å; Q373-W376 VanDerWaalsContact O-N 3.12Å; Y374-W376 PolarHBondContact O-N 3.23Å; W376-V379 HydrophobicContact CE3-CB 4.45Å; W376-V379 HydrophobicContact CE3-CG1 4.39Å; W376-V379 HydrophobicContact CZ3-CG1 4.31Å; W376-V379 PolarHBondContact O-N 2.75Å; W376-L380 WeakPolarHBondContact O-CB 3.42Å; W376-L380 VanDerWaalsContact O-CG 3.28Å; W376-L380 WeakPolarHBondContact O-CG 3.43Å; W376-L380 PolarHBondContact O-N 3.49Å; W376-F430 HydrophobicContact CB-CE1 4.02Å; W376-F430 HydrophobicContact CB-CZ 3.75Å; W376-F430 HydrophobicContact CG-CZ 4.2Å |
| 377 | Y | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 172.5 | -58.8 | -24.2 | 0 | 0 | 0 | 111.1 | F358 L361 F363 Q373 Y374 V379 L380 Y381 I426 F430 I433 | F358-Y377 HydrophobicContact CG-CD2 4.49Å; L361-Y377 HydrophobicContact CB-CE2 3.83Å; L361-Y377 VanDerWaalsContact O-CE2 3.26Å; L361-Y377 WeakPolarHBondContact O-CE2 3.25Å; L361-Y377 PolarHBondContact O-OH 2.67Å; F363-Y377 WeakPolarHBondContact CD2-OH 3.13Å; Q373-Y377 HydrophobicContact CB-CE2 4.22Å; Q373-Y377 WeakPolarHBondContact O-CD1 3.41Å; Q373-Y377 WeakPolarHBondContact O-CD2 3.42Å; Q373-Y377 PolarHBondContact O-N 2.99Å; Q373-Y377 PolarHBondContact OE1-OH 2.85Å; Y374-Y377 WeakPolarHBondContact O-CB 3.5Å; Y374-Y377 PolarHBondContact O-N 3.02Å; Y377-V379 PolarHBondContact O-N 3.36Å; Y377-L380 PolarHBondContact O-N 3.45Å; Y377-Y381 VanDerWaalsContact O-CB 3.27Å; Y377-Y381 WeakPolarHBondContact O-CB 3.48Å; Y377-Y381 PolarHBondContact O-N 3Å; Y377-I426 HydrophobicContact CE1-CD1 4.4Å; Y377-I426 HydrophobicContact CE1-CG1 4.4Å; Y377-F430 AromaticContact CD1-CD1 3.85Å; Y377-F430 HydrophobicContact CD1-CD1 3.85Å; Y377-F430 AromaticContact CD1-CE1 3.67Å; Y377-F430 HydrophobicContact CD1-CE1 3.67Å; Y377-F430 AromaticContact CE1-CD1 3.74Å; Y377-F430 HydrophobicContact CE1-CD1 3.74Å; Y377-F430 AromaticContact CE1-CE1 3.48Å; Y377-F430 HydrophobicContact CE1-CE1 3.48Å; Y377-F430 VanDerWaalsContact CE1-CE1 3.48Å; Y377-I433 HydrophobicContact CD1-CD1 3.2Å; Y377-I433 HydrophobicContact CD2-CD1 4.17Å; Y377-I433 HydrophobicContact CE1-CD1 3.71Å; Y377-I433 HydrophobicContact CG-CD1 3.47Å; Y377-I433 VanDerWaalsContact CG-CD1 3.47Å; Y377-I433 VanDerWaalsContact O-CG2 3.31Å; Y377-I433 WeakPolarHBondContact O-CG2 3.41Å |
| 378 | Q | 90.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 176.7 | -69.6 | -65.6 | -19.9 | 0 | 0 | 112.2 | Y374 R375 Q382 | Y374-Q378 HydrophobicContact CD1-CG 4.34Å; Y374-Q378 HydrophobicContact CE1-CG 3.9Å; Y374-Q378 WeakPolarHBondContact O-CG 3.49Å; Y374-Q378 PolarHBondContact O-N 3.33Å; Y374-Q378 PolarHBondContact OH-NE2 3.32Å; R375-Q378 PolarHBondContact O-N 2.91Å; Q378-Q382 WeakPolarHBondContact O-CG 3.44Å; Q378-Q382 PolarHBondContact O-N 3.5Å |
| 379 | V | 91.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | R375 W376 Y377 Q382 I383 | R375-V379 WeakPolarHBondContact O-CG2 3.42Å; R375-V379 PolarHBondContact O-N 3.19Å; W376-V379 HydrophobicContact CE3-CB 4.45Å; W376-V379 HydrophobicContact CE3-CG1 4.39Å; W376-V379 HydrophobicContact CZ3-CG1 4.31Å; W376-V379 PolarHBondContact O-N 2.75Å; Y377-V379 PolarHBondContact O-N 3.36Å; V379-Q382 PolarHBondContact O-N 2.93Å; V379-I383 HydrophobicContact CG1-CD1 3.69Å; V379-I383 HydrophobicContact CG1-CG1 4.36Å; V379-I383 VanDerWaalsContact O-CG1 3.24Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 3.05Å |
| 380 | L | 95.1 | Very high | 90.7 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | -179 | -73 | 166.4 | 0 | 0 | 0 | 112.1 | W376 Y377 I383 G384 F430 I433 | W376-L380 WeakPolarHBondContact O-CB 3.42Å; W376-L380 VanDerWaalsContact O-CG 3.28Å; W376-L380 WeakPolarHBondContact O-CG 3.43Å; W376-L380 PolarHBondContact O-N 3.49Å; Y377-L380 PolarHBondContact O-N 3.45Å; L380-I383 PolarHBondContact O-N 2.96Å; L380-G384 PolarHBondContact O-N 3.11Å; L380-F430 HydrophobicContact CD1-CB 3.45Å; L380-F430 VanDerWaalsContact CD1-CB 3.45Å; L380-F430 HydrophobicContact CD1-CD1 3.53Å; L380-F430 HydrophobicContact CD1-CD2 3.78Å; L380-F430 HydrophobicContact CD1-CE1 4.14Å; L380-F430 HydrophobicContact CD1-CE2 4.39Å; L380-F430 HydrophobicContact CD1-CG 3.32Å; L380-I433 HydrophobicContact CB-CG2 4.3Å |
| 381 | Y | 95.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.2 | -52.5 | 172.7 | 161.3 | -104 | 0 | 0 | 0 | 110.8 | E350 N354 Y377 I383 G384 V385 E436 | E350-Y381 HydrophobicContact CG-CE2 3.81Å; E350-Y381 WeakPolarHBondContact OE1-CE2 3.31Å; E350-Y381 PolarHBondContact OE1-OH 2.88Å; N354-Y381 VanDerWaalsContact ND2-CE2 3.35Å; N354-Y381 WeakPolarHBondContact ND2-CE2 3.43Å; Y377-Y381 VanDerWaalsContact O-CB 3.27Å; Y377-Y381 WeakPolarHBondContact O-CB 3.48Å; Y377-Y381 PolarHBondContact O-N 3Å; Y381-I383 VanDerWaalsContact C-N 3.35Å; Y381-I383 PolarHBondContact O-N 3.11Å; Y381-G384 WeakPolarHBondContact O-CA 3.06Å; Y381-G384 PolarHBondContact O-N 3.38Å; Y381-G384 VanDerWaalsContact O-N 3.1Å; Y381-V385 HydrophobicContact CD2-CG2 4.21Å; Y381-V385 HydrophobicContact CE1-CG2 4.39Å; Y381-V385 HydrophobicContact CE2-CG2 3.74Å; Y381-V385 WeakPolarHBondContact O-CG2 3.29Å; Y381-V385 PolarHBondContact O-N 2.88Å; Y381-E436 WeakPolarHBondContact CD2-OE1 3.47Å; Y381-E436 WeakPolarHBondContact CE2-OE1 3.22Å |
| 382 | Q | 93.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -36.6 | -179.3 | -66.2 | -68 | 12 | 0 | 0 | 113 | L201 Q378 V379 G384 V385 F386 | L201-Q382 HydrophobicContact CB-CB 4.32Å; Q378-Q382 WeakPolarHBondContact O-CG 3.44Å; Q378-Q382 PolarHBondContact O-N 3.5Å; V379-Q382 PolarHBondContact O-N 2.93Å; Q382-G384 VanDerWaalsContact C-N 3.34Å; Q382-V385 PolarHBondContact O-N 3.22Å; Q382-F386 WeakPolarHBondContact O-CB 3.34Å; Q382-F386 PolarHBondContact O-N 2.98Å |
| 383 | I | 94 | Very high | 91.9 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 173.8 | -66.7 | 167.4 | 0 | 0 | 0 | 110.1 | V379 L380 Y381 F386 L387 F434 | V379-I383 HydrophobicContact CG1-CD1 3.69Å; V379-I383 HydrophobicContact CG1-CG1 4.36Å; V379-I383 VanDerWaalsContact O-CG1 3.24Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 3.05Å; L380-I383 PolarHBondContact O-N 2.96Å; Y381-I383 VanDerWaalsContact C-N 3.35Å; Y381-I383 PolarHBondContact O-N 3.11Å; I383-F386 PolarHBondContact O-N 3.3Å; I383-L387 HydrophobicContact CG2-CD1 4.01Å; I383-L387 HydrophobicContact CG2-CG 4.33Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.26Å; I383-F434 HydrophobicContact CG2-CD2 4.45Å; I383-F434 HydrophobicContact CG2-CE2 4.03Å |
| 384 | G | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L380 Y381 Q382 F386 L387 S388 G437 | L380-G384 PolarHBondContact O-N 3.11Å; Y381-G384 WeakPolarHBondContact O-CA 3.06Å; Y381-G384 PolarHBondContact O-N 3.38Å; Y381-G384 VanDerWaalsContact O-N 3.1Å; Q382-G384 VanDerWaalsContact C-N 3.34Å; G384-F386 PolarHBondContact O-N 3.4Å; G384-L387 PolarHBondContact O-N 3.29Å; G384-S388 WeakPolarHBondContact O-CB 3.49Å; G384-S388 PolarHBondContact O-N 3.44Å; G384-S388 PolarHBondContact O-OG 3.46Å; G384-G437 CarbonylContact C-O 3.46Å |
| 385 | V | 95.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | Y381 Q382 S388 R389 G437 | Y381-V385 HydrophobicContact CD2-CG2 4.21Å; Y381-V385 HydrophobicContact CE1-CG2 4.39Å; Y381-V385 HydrophobicContact CE2-CG2 3.74Å; Y381-V385 WeakPolarHBondContact O-CG2 3.29Å; Y381-V385 PolarHBondContact O-N 2.88Å; Q382-V385 PolarHBondContact O-N 3.22Å; V385-S388 WeakPolarHBondContact CA-OG 3.4Å; V385-S388 PolarHBondContact O-OG 3.4Å; V385-R389 HydrophobicContact CG1-CG 4.3Å; V385-R389 WeakPolarHBondContact O-CB 3.43Å; V385-R389 VanDerWaalsContact O-CG 3.31Å; V385-R389 WeakPolarHBondContact O-CG 3.35Å; V385-R389 PolarHBondContact O-N 2.89Å; V385-G437 WeakPolarHBondContact CA-O 3.3Å; V385-G437 WeakPolarHBondContact CG2-O 3.06Å; V385-G437 PolarHBondContact N-O 2.94Å |
| 386 | F | 92.6 | Very high | 92.2 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.3 | -48.8 | -179.9 | 174.5 | -102.7 | 0 | 0 | 0 | 112.4 | C194 A198 Q382 I383 G384 S390 | C194-F386 WeakPolarHBondContact SG-CE2 3.31Å; A198-F386 HydrophobicContact CB-CD2 4.06Å; A198-F386 HydrophobicContact CB-CE2 4.06Å; Q382-F386 WeakPolarHBondContact O-CB 3.34Å; Q382-F386 PolarHBondContact O-N 2.98Å; I383-F386 PolarHBondContact O-N 3.3Å; G384-F386 PolarHBondContact O-N 3.4Å; F386-S390 WeakPolarHBondContact O-CB 3.46Å; F386-S390 PolarHBondContact O-N 2.91Å; F386-S390 VanDerWaalsContact O-N 3.15Å; F386-S390 PolarHBondContact O-OG 3.13Å |
| 387 | L | 94 | Very high | 92.2 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -44.1 | -179 | -70.4 | 179.6 | 0 | 0 | 0 | 111.7 | I383 G384 S390 S391 F434 | I383-L387 HydrophobicContact CG2-CD1 4.01Å; I383-L387 HydrophobicContact CG2-CG 4.33Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.26Å; G384-L387 PolarHBondContact O-N 3.29Å; L387-S390 PolarHBondContact O-N 2.75Å; L387-S391 PolarHBondContact O-N 3.3Å; L387-F434 HydrophobicContact CD1-CE2 3.96Å; L387-F434 HydrophobicContact CD1-CZ 3.97Å |
| 388 | S | 96 | Very high | 92.1 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | G384 V385 S390 S391 G437 C438 G441 | G384-S388 WeakPolarHBondContact O-CB 3.49Å; G384-S388 PolarHBondContact O-N 3.44Å; G384-S388 PolarHBondContact O-OG 3.46Å; V385-S388 WeakPolarHBondContact CA-OG 3.4Å; V385-S388 PolarHBondContact O-OG 3.4Å; S388-S390 PolarHBondContact O-N 3.01Å; S388-S391 WeakPolarHBondContact O-CB 3.48Å; S388-S391 PolarHBondContact O-N 3.43Å; S388-S391 VanDerWaalsContact O-N 3.11Å; S388-S391 PolarHBondContact O-OG 3.31Å; S388-G437 PolarHBondContact OG-O 2.88Å; S388-C438 VanDerWaalsContact CB-O 3.23Å; S388-C438 WeakPolarHBondContact CB-O 3.46Å; S388-C438 PolarHBondContact OG-O 3.27Å; S388-G441 WeakPolarHBondContact OG-CA 3.32Å |
| 389 | R | 93.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 6% | 0.06 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -26.8 | 174.7 | -72.6 | -171.2 | -175.6 | 169.1 | 11 | 112.8 | S193 T196 Y347 V385 S391 Y444 | S193-R389 WeakPolarHBondContact O-CB 3.41Å; S193-R389 WeakPolarHBondContact O-CD 3.36Å; T196-R389 VanDerWaalsContact CB-NH1 3.28Å; T196-R389 PolarHBondContact OG1-NH1 3.37Å; Y347-R389 PolarHBondContact OH-NH2 3.16Å; V385-R389 HydrophobicContact CG1-CG 4.3Å; V385-R389 WeakPolarHBondContact O-CB 3.43Å; V385-R389 VanDerWaalsContact O-CG 3.31Å; V385-R389 WeakPolarHBondContact O-CG 3.35Å; V385-R389 PolarHBondContact O-N 2.89Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-Y444 HydrophobicContact CG-CD1 4.42Å |
| 390 | S | 92.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.5 | 176.8 | -56 | 0 | 0 | 0 | 0 | 113.3 | C194 F386 L387 S388 | C194-S390 PolarHBondContact SG-OG 3.17Å; F386-S390 WeakPolarHBondContact O-CB 3.46Å; F386-S390 PolarHBondContact O-N 2.91Å; F386-S390 VanDerWaalsContact O-N 3.15Å; F386-S390 PolarHBondContact O-OG 3.13Å; L387-S390 PolarHBondContact O-N 2.75Å; S388-S390 PolarHBondContact O-N 3.01Å |
| 391 | S | 92.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | trans | -82 | -21.1 | -169.4 | 81.3 | 0 | 0 | 0 | 0 | 114.5 | L387 S388 R389 N393 F394 I395 L442 | L387-S391 PolarHBondContact O-N 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.48Å; S388-S391 PolarHBondContact O-N 3.43Å; S388-S391 VanDerWaalsContact O-N 3.11Å; S388-S391 PolarHBondContact O-OG 3.31Å; R389-S391 VanDerWaalsContact C-N 3.3Å; S391-N393 PolarHBondContact O-N 2.98Å; S391-N393 VanDerWaalsContact O-N 3.09Å; S391-F394 CarbonylContact O-C 3.6Å; S391-F394 WeakPolarHBondContact O-CA 3.45Å; S391-F394 WeakPolarHBondContact O-CB 3.23Å; S391-F394 PolarHBondContact O-N 2.82Å; S391-I395 PolarHBondContact O-N 2.94Å; S391-L442 WeakPolarHBondContact OG-CD2 3.09Å | ||
| 392 | V | 90.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32 | -166.5 | 75.6 | 0 | 0 | 0 | 0 | 114.3 | S190 F394 I395 V445 Y449 | S190-V392 VanDerWaalsContact CB-CG1 3.47Å; V392-F394 PolarHBondContact O-N 2.88Å; V392-I395 WeakPolarHBondContact CA-O 3.42Å; V392-V445 HydrophobicContact CB-CB 4.44Å; V392-V445 HydrophobicContact CB-CG1 3.93Å; V392-V445 HydrophobicContact CB-CG2 3.64Å; V392-V445 HydrophobicContact CG1-CG2 3.46Å; V392-V445 VanDerWaalsContact CG1-CG2 3.46Å; V392-V445 HydrophobicContact CG2-CG1 4.46Å; V392-V445 HydrophobicContact CG2-CG2 4.21Å; V392-Y449 HydrophobicContact CG1-CD2 4.11Å; V392-Y449 HydrophobicContact CG1-CE2 4.49Å; V392-Y449 HydrophobicContact CG2-CD1 4.05Å; V392-Y449 HydrophobicContact CG2-CD2 3.71Å; V392-Y449 HydrophobicContact CG2-CE2 4.3Å; V392-Y449 HydrophobicContact CG2-CG 3.62Å |
| 393 | N | 83.1 | Confident | 92.4 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.8 | 177.9 | -70.3 | -24.6 | 0 | 0 | 0 | 112.8 | S190 S391 | S190-N393 VanDerWaalsContact CB-ND2 3.27Å; S190-N393 WeakPolarHBondContact CB-ND2 3.21Å; S190-N393 PolarHBondContact OG-ND2 3.45Å; S190-N393 VanDerWaalsContact OG-ND2 3.11Å; S391-N393 PolarHBondContact O-N 2.98Å; S391-N393 VanDerWaalsContact O-N 3.09Å |
| 394 | F | 86.9 | Confident | 92.5 | Very high | 185 Ų | 185 | 56.9 Ų | 56.9 | 81% | 0.811 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -40.1 | 177.5 | -57.9 | -79.3 | 0 | 0 | 0 | 112.1 | S391 V392 | S391-F394 CarbonylContact O-C 3.6Å; S391-F394 WeakPolarHBondContact O-CA 3.45Å; S391-F394 WeakPolarHBondContact O-CB 3.23Å; S391-F394 PolarHBondContact O-N 2.82Å; V392-F394 PolarHBondContact O-N 2.88Å |
| 395 | I | 89.2 | Confident | 92.6 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | trans | -138 | 111 | -174.5 | -54.9 | 175.6 | 0 | 0 | 0 | 108.2 | S391 V392 F397 | S391-I395 PolarHBondContact O-N 2.94Å; V392-I395 WeakPolarHBondContact CA-O 3.42Å; I395-F397 HydrophobicContact CG2-CD2 4.22Å; I395-F397 HydrophobicContact CG2-CE1 4.34Å; I395-F397 HydrophobicContact CG2-CE2 3.48Å; I395-F397 VanDerWaalsContact CG2-CE2 3.48Å; I395-F397 HydrophobicContact CG2-CZ 3.55Å | ||
| 396 | H | 90.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | trans | -112.4 | 126.9 | -178.9 | 171 | -136.4 | 0 | 0 | 0 | 110.7 | N446 Y449 N450 | H396-N446 PolarHBondContact CD2-OD1 3.21Å; H396-Y449 AromaticContact CD2-CD1 3.55Å; H396-Y449 AromaticContact CD2-CE1 3.99Å; H396-Y449 AromaticContact CE1-CD1 3.85Å; H396-Y449 AromaticContact CE1-CE1 3.96Å; H396-Y449 AromaticContact CG-CE1 3.97Å; H396-Y449 AromaticContact ND1-CE1 3.96Å; H396-Y449 AromaticContact NE2-CD1 3.46Å; H396-Y449 WeakPolarHBondContact NE2-CD1 3.1Å; H396-Y449 AromaticContact NE2-CE1 4Å; H396-N450 PolarHBondContact CE1-OD1 3.39Å; H396-N450 PolarHBondContact NE2-OD1 2.85Å | ||
| 397 | F | 91.3 | Very high | 93 | Very high | 82 Ų | 82 | 61 Ų | 61 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | trans | -108.3 | 113.7 | 177.2 | -61.5 | -83.9 | 0 | 0 | 0 | 110.4 | I395 T399 M403 L442 N446 N450 | I395-F397 HydrophobicContact CG2-CD2 4.22Å; I395-F397 HydrophobicContact CG2-CE1 4.34Å; I395-F397 HydrophobicContact CG2-CE2 3.48Å; I395-F397 VanDerWaalsContact CG2-CE2 3.48Å; I395-F397 HydrophobicContact CG2-CZ 3.55Å; F397-T399 VanDerWaalsContact C-N 3.32Å; F397-M403 HydrophobicContact CB-CE 3.67Å; F397-M403 HydrophobicContact CD1-CE 4.21Å; F397-M403 HydrophobicContact CD2-CE 3.45Å; F397-M403 VanDerWaalsContact CD2-CE 3.45Å; F397-M403 HydrophobicContact CE2-CE 4.07Å; F397-M403 HydrophobicContact CG-CE 3.51Å; F397-L442 HydrophobicContact CD2-CD2 4.19Å; F397-L442 HydrophobicContact CE2-CD1 4.42Å; F397-L442 HydrophobicContact CE2-CD2 3.87Å; F397-N446 PolarHBondContact N-OD1 3.16Å; F397-N450 PolarHBondContact O-ND2 2.88Å | ||
| 398 | K | 89.7 | Confident | 93.2 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.7 | -33.4 | 173.7 | -66.2 | -173.9 | 176.5 | -173.4 | 0 | 112.5 | N450 | K398-N450 PolarHBondContact O-ND2 3.11Š|
| 399 | T | 90.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | trans | -103.8 | 108.5 | -174.8 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | F397 W401 | F397-T399 VanDerWaalsContact C-N 3.32Å; T399-W401 HydrophobicContact CG2-CG 4.06Å | ||
| 400 | T | 93.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | trans | -96.9 | -13.8 | -175.4 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | I402 M403 S404 N446 | T400-I402 PolarHBondContact O-N 3.2Å; T400-M403 HydrophobicContact CG2-SD 4.48Å; T400-M403 WeakPolarHBondContact O-CB 3.38Å; T400-M403 PolarHBondContact O-N 3.5Å; T400-M403 VanDerWaalsContact O-N 3.09Å; T400-S404 PolarHBondContact O-N 3.39Å; T400-N446 HydrophobicContact CG2-CB 3.91Å | ||
| 401 | W | 94.9 | Very high | 93.8 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 51% | 0.511 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -28.9 | -177.2 | 70.7 | -103.4 | 0 | 0 | 0 | 114.1 | C342 T399 M403 S404 L405 | C342-W401 WeakPolarHBondContact SG-CA 3.49Å; C342-W401 WeakPolarHBondContact SG-CB 3.4Å; T399-W401 HydrophobicContact CG2-CG 4.06Å; W401-M403 VanDerWaalsContact C-N 3.28Å; W401-M403 PolarHBondContact O-N 3.06Å; W401-S404 VanDerWaalsContact O-CB 3.31Å; W401-S404 WeakPolarHBondContact O-CB 3.32Å; W401-S404 PolarHBondContact O-N 3.1Å; W401-L405 HydrophobicContact CZ3-CD2 4.11Å; W401-L405 PolarHBondContact O-N 3.07Å |
| 402 | I | 96.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.2 | -61.5 | 173.9 | 0 | 0 | 0 | 109.8 | T400 S404 L405 L406 | T400-I402 PolarHBondContact O-N 3.2Å; I402-S404 VanDerWaalsContact C-N 3.28Å; I402-S404 PolarHBondContact O-N 3.47Å; I402-L405 PolarHBondContact O-N 3.42Å; I402-L406 HydrophobicContact CG2-CD1 3.8Å; I402-L406 HydrophobicContact CG2-CG 4.26Å; I402-L406 WeakPolarHBondContact O-CB 3.48Å; I402-L406 WeakPolarHBondContact O-CG 3.27Å; I402-L406 PolarHBondContact O-N 2.89Å |
| 403 | M | 96.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.054 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 178.8 | -59.7 | 157.3 | 176.6 | 0 | 0 | 111 | F397 T400 W401 L406 Q407 L439 L442 T443 | F397-M403 HydrophobicContact CB-CE 3.67Å; F397-M403 HydrophobicContact CD1-CE 4.21Å; F397-M403 HydrophobicContact CD2-CE 3.45Å; F397-M403 VanDerWaalsContact CD2-CE 3.45Å; F397-M403 HydrophobicContact CE2-CE 4.07Å; F397-M403 HydrophobicContact CG-CE 3.51Å; T400-M403 HydrophobicContact CG2-SD 4.48Å; T400-M403 WeakPolarHBondContact O-CB 3.38Å; T400-M403 PolarHBondContact O-N 3.5Å; T400-M403 VanDerWaalsContact O-N 3.09Å; W401-M403 VanDerWaalsContact C-N 3.28Å; W401-M403 PolarHBondContact O-N 3.06Å; M403-L406 PolarHBondContact O-N 2.94Å; M403-Q407 WeakPolarHBondContact O-CB 3.11Å; M403-Q407 PolarHBondContact O-N 3.26Å; M403-L439 HydrophobicContact CB-CD2 4.27Å; M403-L439 HydrophobicContact CG-CD2 4.48Å; M403-L442 HydrophobicContact CE-CB 3.75Å; M403-L442 HydrophobicContact CE-CD1 4.16Å; M403-L442 HydrophobicContact CE-CG 4.38Å; M403-L442 HydrophobicContact SD-CB 3.84Å; M403-T443 WeakPolarHBondContact CB-OG1 3.23Å |
| 404 | S | 96.3 | Very high | 95 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.1 | -160.8 | 0 | 0 | 0 | 0 | 113.6 | S345 T400 W401 I402 L406 Q407 A408 | S345-S404 WeakPolarHBondContact CB-OG 3.26Å; S345-S404 PolarHBondContact OG-OG 3.1Å; T400-S404 PolarHBondContact O-N 3.39Å; W401-S404 VanDerWaalsContact O-CB 3.31Å; W401-S404 WeakPolarHBondContact O-CB 3.32Å; W401-S404 PolarHBondContact O-N 3.1Å; I402-S404 VanDerWaalsContact C-N 3.28Å; I402-S404 PolarHBondContact O-N 3.47Å; S404-L406 VanDerWaalsContact C-N 3.35Å; S404-Q407 PolarHBondContact O-N 3.15Å; S404-A408 PolarHBondContact O-N 2.93Å |
| 405 | L | 97.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 176.1 | 178.9 | 61.5 | 0 | 0 | 0 | 111.1 | W401 I402 Q407 A408 I409 | W401-L405 HydrophobicContact CZ3-CD2 4.11Å; W401-L405 PolarHBondContact O-N 3.07Å; I402-L405 PolarHBondContact O-N 3.42Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 3.37Å; L405-A408 WeakPolarHBondContact O-CB 3.46Å; L405-A408 PolarHBondContact O-N 2.94Å; L405-I409 HydrophobicContact CD1-CD1 4.48Å; L405-I409 HydrophobicContact CG-CD1 4.2Å; L405-I409 WeakPolarHBondContact O-CG1 3.38Å; L405-I409 PolarHBondContact O-N 3.37Å |
| 406 | L | 98.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 177.7 | -71.3 | 172.2 | 0 | 0 | 0 | 112 | I402 M403 S404 I409 N410 Y435 L439 | I402-L406 HydrophobicContact CG2-CD1 3.8Å; I402-L406 HydrophobicContact CG2-CG 4.26Å; I402-L406 WeakPolarHBondContact O-CB 3.48Å; I402-L406 WeakPolarHBondContact O-CG 3.27Å; I402-L406 PolarHBondContact O-N 2.89Å; M403-L406 PolarHBondContact O-N 2.94Å; S404-L406 VanDerWaalsContact C-N 3.35Å; L406-I409 PolarHBondContact O-N 2.9Å; L406-N410 WeakPolarHBondContact O-CB 3.26Å; L406-N410 PolarHBondContact O-N 3.5Å; L406-Y435 WeakPolarHBondContact CB-OH 3.35Å; L406-Y435 WeakPolarHBondContact CD1-OH 3.47Å; L406-L439 HydrophobicContact CB-CD1 3.83Å; L406-L439 HydrophobicContact CB-CD2 3.98Å; L406-L439 HydrophobicContact CD1-CD2 4.13Å |
| 407 | Q | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -38 | 176.8 | -165.7 | 71.3 | -14.9 | 0 | 0 | 111.8 | V346 F349 E350 M403 S404 L405 N410 F411 E436 L439 | V346-Q407 HydrophobicContact CG1-CG 4.3Å; V346-Q407 HydrophobicContact CG2-CB 4.31Å; F349-Q407 HydrophobicContact CB-CB 4.48Å; F349-Q407 HydrophobicContact CB-CG 3.8Å; E350-Q407 VanDerWaalsContact CB-NE2 3.31Å; M403-Q407 WeakPolarHBondContact O-CB 3.11Å; M403-Q407 PolarHBondContact O-N 3.26Å; S404-Q407 PolarHBondContact O-N 3.15Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 3.37Å; Q407-N410 WeakPolarHBondContact O-CB 3.17Å; Q407-N410 PolarHBondContact O-N 3.27Å; Q407-F411 PolarHBondContact O-N 3.46Å; Q407-E436 VanDerWaalsContact NE2-CG 3.3Å; Q407-L439 HydrophobicContact CB-CD1 4.21Å; Q407-L439 VanDerWaalsContact OE1-CB 3.23Å |
| 408 | A | 98.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | F349 S404 L405 N410 F411 V412 | F349-A408 HydrophobicContact CD2-CB 3.67Å; F349-A408 HydrophobicContact CE1-CB 4.36Å; F349-A408 HydrophobicContact CE2-CB 3.4Å; F349-A408 HydrophobicContact CG-CB 4.28Å; F349-A408 HydrophobicContact CZ-CB 3.79Å; S404-A408 PolarHBondContact O-N 2.93Å; L405-A408 WeakPolarHBondContact O-CB 3.46Å; L405-A408 PolarHBondContact O-N 2.94Å; A408-N410 VanDerWaalsContact C-N 3.3Å; A408-N410 PolarHBondContact O-N 3.08Å; A408-F411 PolarHBondContact O-N 3.19Å; A408-V412 WeakPolarHBondContact O-CG2 3.32Å; A408-V412 PolarHBondContact O-N 3.4Å; A408-V412 VanDerWaalsContact O-N 3.13Å |
| 409 | I | 98.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.5 | -67.2 | 166.1 | 0 | 0 | 0 | 110.1 | L405 L406 F411 V412 I413 | L405-I409 HydrophobicContact CD1-CD1 4.48Å; L405-I409 HydrophobicContact CG-CD1 4.2Å; L405-I409 WeakPolarHBondContact O-CG1 3.38Å; L405-I409 PolarHBondContact O-N 3.37Å; L406-I409 PolarHBondContact O-N 2.9Å; I409-F411 VanDerWaalsContact C-N 3.33Å; I409-F411 PolarHBondContact O-N 2.87Å; I409-V412 WeakPolarHBondContact O-CB 3.28Å; I409-V412 PolarHBondContact O-N 3.47Å; I409-V412 VanDerWaalsContact O-N 3.13Å; I409-I413 HydrophobicContact CG2-CD1 3.94Å; I409-I413 HydrophobicContact CG2-CG1 4.39Å; I409-I413 WeakPolarHBondContact O-CG1 3.21Å; I409-I413 PolarHBondContact O-N 3.29Å |
| 410 | N | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 178.2 | -157.2 | 45.6 | 0 | 0 | 0 | 112.1 | L406 Q407 A408 V412 I413 C414 V432 E436 | L406-N410 WeakPolarHBondContact O-CB 3.26Å; L406-N410 PolarHBondContact O-N 3.5Å; Q407-N410 WeakPolarHBondContact O-CB 3.17Å; Q407-N410 PolarHBondContact O-N 3.27Å; A408-N410 VanDerWaalsContact C-N 3.3Å; A408-N410 PolarHBondContact O-N 3.08Å; N410-V412 VanDerWaalsContact C-N 3.34Å; N410-V412 PolarHBondContact O-N 2.91Å; N410-I413 WeakPolarHBondContact O-CB 3.48Å; N410-I413 PolarHBondContact O-N 3.47Å; N410-C414 PolarHBondContact O-N 3.31Å; N410-C414 PolarHBondContact O-SG 2.9Å; N410-C414 VanDerWaalsContact O-SG 3.34Å; N410-V432 VanDerWaalsContact OD1-CG1 3.23Å; N410-V432 WeakPolarHBondContact OD1-CG1 3.33Å; N410-E436 VanDerWaalsContact ND2-CB 3.32Å; N410-E436 WeakPolarHBondContact ND2-CB 3.26Å |
| 411 | F | 98.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 172.7 | 167.4 | -102.4 | 0 | 0 | 0 | 111.8 | F349 L352 I353 L357 Q407 A408 I409 I413 C414 L415 L485 | F349-F411 HydrophobicContact CB-CB 4.22Å; F349-F411 HydrophobicContact CD1-CB 3.87Å; F349-F411 AromaticContact CD1-CD1 3.93Å; F349-F411 HydrophobicContact CD1-CD1 3.93Å; F349-F411 AromaticContact CD1-CG 3.9Å; F349-F411 HydrophobicContact CD1-CG 3.9Å; F349-F411 HydrophobicContact CE1-CD1 4.11Å; F349-F411 HydrophobicContact CG-CB 4.36Å; L352-F411 HydrophobicContact CB-CD2 4.41Å; L352-F411 HydrophobicContact CB-CE2 4.31Å; L352-F411 HydrophobicContact CD2-CD2 4.06Å; L352-F411 HydrophobicContact CD2-CE1 4.24Å; L352-F411 HydrophobicContact CD2-CE2 3.45Å; L352-F411 VanDerWaalsContact CD2-CE2 3.45Å; L352-F411 HydrophobicContact CD2-CZ 3.55Å; L352-F411 HydrophobicContact CG-CD2 4.22Å; L352-F411 HydrophobicContact CG-CE2 3.64Å; L352-F411 HydrophobicContact CG-CZ 4.21Å; I353-F411 HydrophobicContact CD1-CB 4.01Å; I353-F411 HydrophobicContact CG1-CB 3.96Å; I353-F411 HydrophobicContact CG1-CD2 3.84Å; I353-F411 HydrophobicContact CG1-CG 4.41Å; L357-F411 HydrophobicContact CD1-CD2 3.95Å; L357-F411 HydrophobicContact CD1-CE2 3.89Å; L357-F411 HydrophobicContact CG-CE2 4.49Å; Q407-F411 PolarHBondContact O-N 3.46Å; A408-F411 PolarHBondContact O-N 3.19Å; I409-F411 VanDerWaalsContact C-N 3.33Å; I409-F411 PolarHBondContact O-N 2.87Å; F411-I413 VanDerWaalsContact C-N 3.34Å; F411-I413 PolarHBondContact O-N 3.44Å; F411-C414 PolarHBondContact O-N 2.88Å; F411-L415 HydrophobicContact CE1-CD2 4.07Å; F411-L415 HydrophobicContact CZ-CB 4.47Å; F411-L415 HydrophobicContact CZ-CD2 4.03Å; F411-L415 VanDerWaalsContact O-CB 3.27Å; F411-L415 WeakPolarHBondContact O-CB 3.35Å; F411-L415 PolarHBondContact O-N 3.12Å; F411-L485 HydrophobicContact CE2-CD2 4Å; F411-L485 HydrophobicContact CZ-CD2 3.86Å |
| 412 | V | 98 | Very high | 96.2 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.4 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | A408 I409 N410 C414 L415 L416 | A408-V412 WeakPolarHBondContact O-CG2 3.32Å; A408-V412 PolarHBondContact O-N 3.4Å; A408-V412 VanDerWaalsContact O-N 3.13Å; I409-V412 WeakPolarHBondContact O-CB 3.28Å; I409-V412 PolarHBondContact O-N 3.47Å; I409-V412 VanDerWaalsContact O-N 3.13Å; N410-V412 VanDerWaalsContact C-N 3.34Å; N410-V412 PolarHBondContact O-N 2.91Å; V412-C414 PolarHBondContact O-N 3.49Å; V412-L415 PolarHBondContact O-N 3.23Å; V412-L416 HydrophobicContact CG1-CD1 3.79Å; V412-L416 HydrophobicContact CG1-CG 4.2Å; V412-L416 WeakPolarHBondContact O-CB 3.37Å; V412-L416 VanDerWaalsContact O-CG 3.23Å; V412-L416 WeakPolarHBondContact O-CG 3.3Å; V412-L416 PolarHBondContact O-N 3.01Å |
| 413 | I | 97.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.1 | -49.3 | 175.8 | -70.4 | 170.5 | 0 | 0 | 0 | 110.6 | I409 N410 F411 Q417 Y422 V432 | I409-I413 HydrophobicContact CG2-CD1 3.94Å; I409-I413 HydrophobicContact CG2-CG1 4.39Å; I409-I413 WeakPolarHBondContact O-CG1 3.21Å; I409-I413 PolarHBondContact O-N 3.29Å; N410-I413 WeakPolarHBondContact O-CB 3.48Å; N410-I413 PolarHBondContact O-N 3.47Å; F411-I413 VanDerWaalsContact C-N 3.34Å; F411-I413 PolarHBondContact O-N 3.44Å; I413-Q417 WeakPolarHBondContact O-CB 3.42Å; I413-Q417 PolarHBondContact O-N 2.88Å; I413-Y422 WeakPolarHBondContact CG2-OH 3.26Å; I413-V432 HydrophobicContact CG2-CG1 4.38Å |
| 414 | C | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.5 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | I353 L357 N410 F411 V412 Q417 V418 M429 | I353-C414 HydrophobicContact CG1-CB 4.47Å; I353-C414 HydrophobicContact CG2-CB 4.42Å; L357-C414 HydrophobicContact CD1-CB 3.63Å; N410-C414 PolarHBondContact O-N 3.31Å; N410-C414 PolarHBondContact O-SG 2.9Å; N410-C414 VanDerWaalsContact O-SG 3.34Å; F411-C414 PolarHBondContact O-N 2.88Å; V412-C414 PolarHBondContact O-N 3.49Å; C414-Q417 WeakPolarHBondContact O-CB 3.32Å; C414-Q417 PolarHBondContact O-N 3.47Å; C414-V418 WeakPolarHBondContact O-CG2 3.46Å; C414-V418 PolarHBondContact O-N 3.45Å; C414-M429 VanDerWaalsContact SG-CE 3.57Å |
| 415 | L | 95.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 179.5 | 179.5 | 65.5 | 0 | 0 | 0 | 111.3 | L357 F411 V412 Q417 V418 I419 L489 | L357-L415 HydrophobicContact CD1-CB 4.2Å; L357-L415 HydrophobicContact CD2-CD1 3.97Å; F411-L415 HydrophobicContact CE1-CD2 4.07Å; F411-L415 HydrophobicContact CZ-CB 4.47Å; F411-L415 HydrophobicContact CZ-CD2 4.03Å; F411-L415 VanDerWaalsContact O-CB 3.27Å; F411-L415 WeakPolarHBondContact O-CB 3.35Å; F411-L415 PolarHBondContact O-N 3.12Å; V412-L415 PolarHBondContact O-N 3.23Å; L415-Q417 PolarHBondContact O-N 2.91Å; L415-V418 PolarHBondContact O-N 3.41Å; L415-I419 HydrophobicContact CD1-CD1 4.22Å; L415-I419 HydrophobicContact CG-CD1 4.14Å; L415-I419 WeakPolarHBondContact O-CG1 3.43Å; L415-I419 PolarHBondContact O-N 2.96Å; L415-L489 HydrophobicContact CD1-CD1 4.04Å; L415-L489 HydrophobicContact CD1-CD2 3.96Å |
| 416 | L | 96.1 | Very high | 95.5 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -32 | 175.1 | -67.5 | 175 | 0 | 0 | 0 | 111.6 | V412 I419 Y420 Y422 | V412-L416 HydrophobicContact CG1-CD1 3.79Å; V412-L416 HydrophobicContact CG1-CG 4.2Å; V412-L416 WeakPolarHBondContact O-CB 3.37Å; V412-L416 VanDerWaalsContact O-CG 3.23Å; V412-L416 WeakPolarHBondContact O-CG 3.3Å; V412-L416 PolarHBondContact O-N 3.01Å; L416-I419 PolarHBondContact O-N 3.4Å; L416-Y420 HydrophobicContact CB-CD2 4.32Å; L416-Y420 HydrophobicContact CD2-CD2 3.93Å; L416-Y420 HydrophobicContact CD2-CE2 3.63Å; L416-Y420 WeakPolarHBondContact O-CB 3.5Å; L416-Y420 WeakPolarHBondContact O-CD2 3.34Å; L416-Y420 PolarHBondContact O-N 2.92Å; L416-Y422 HydrophobicContact CB-CE1 4.03Å |
| 417 | Q | 95.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.6 | 175.6 | 58.2 | 19 | 0 | 0 | 111.5 | L361 I413 C414 L415 I419 S421 Y422 I423 M429 | L361-Q417 HydrophobicContact CD2-CB 4.12Å; L361-Q417 HydrophobicContact CD2-CG 3.63Å; I413-Q417 WeakPolarHBondContact O-CB 3.42Å; I413-Q417 PolarHBondContact O-N 2.88Å; C414-Q417 WeakPolarHBondContact O-CB 3.32Å; C414-Q417 PolarHBondContact O-N 3.47Å; L415-Q417 PolarHBondContact O-N 2.91Å; Q417-I419 VanDerWaalsContact C-N 3.34Å; Q417-S421 VanDerWaalsContact O-CA 3.23Å; Q417-S421 WeakPolarHBondContact O-CA 3.4Å; Q417-S421 PolarHBondContact O-N 3.5Å; Q417-Y422 HydrophobicContact CB-CE1 3.98Å; Q417-I423 HydrophobicContact CB-CD1 4.42Å; Q417-I423 HydrophobicContact CG-CD1 4.25Å; Q417-I423 PolarHBondContact NE2-O 2.91Å; Q417-I423 VanDerWaalsContact OE1-CB 3.28Å; Q417-I423 VanDerWaalsContact OE1-CG1 3.3Å; Q417-M429 HydrophobicContact CG-SD 4.17Å |
| 418 | V | 92.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L357 L360 L361 C414 L415 L489 L493 | L357-V418 HydrophobicContact CB-CG2 4.13Å; L357-V418 HydrophobicContact CD2-CG2 4.3Å; L360-V418 HydrophobicContact CB-CG1 3.73Å; L360-V418 HydrophobicContact CB-CG2 4.16Å; L360-V418 HydrophobicContact CD1-CG1 4.12Å; L361-V418 HydrophobicContact CD2-CG2 3.59Å; L361-V418 HydrophobicContact CG-CG2 3.76Å; C414-V418 WeakPolarHBondContact O-CG2 3.46Å; C414-V418 PolarHBondContact O-N 3.45Å; L415-V418 PolarHBondContact O-N 3.41Å; V418-L489 HydrophobicContact CG1-CD1 4.34Å; V418-L489 HydrophobicContact CG1-CD2 4.27Å; V418-L493 HydrophobicContact CG1-CD1 3.74Å |
| 419 | I | 93.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.8 | -44.6 | -176.2 | -64.5 | 168.7 | 0 | 0 | 0 | 112.6 | L415 L416 Q417 L489 | L415-I419 HydrophobicContact CD1-CD1 4.22Å; L415-I419 HydrophobicContact CG-CD1 4.14Å; L415-I419 WeakPolarHBondContact O-CG1 3.43Å; L415-I419 PolarHBondContact O-N 2.96Å; L416-I419 PolarHBondContact O-N 3.4Å; Q417-I419 VanDerWaalsContact C-N 3.34Å; I419-L489 HydrophobicContact CD1-CD2 4.23Å; I419-L489 HydrophobicContact CG1-CD2 3.91Å |
| 420 | Y | 93.6 | Very high | 95 | Very high | 167 Ų | 167 | 56.1 Ų | 56.1 | 66% | 0.655 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -109.1 | -12 | -169.2 | -62.5 | -66.7 | 0 | 0 | 0 | 114.7 | L416 Y422 | L416-Y420 HydrophobicContact CB-CD2 4.32Å; L416-Y420 HydrophobicContact CD2-CD2 3.93Å; L416-Y420 HydrophobicContact CD2-CE2 3.63Å; L416-Y420 WeakPolarHBondContact O-CB 3.5Å; L416-Y420 WeakPolarHBondContact O-CD2 3.34Å; L416-Y420 PolarHBondContact O-N 2.92Å; Y420-Y422 PolarHBondContact O-N 3.29Å |
| 421 | S | 91.4 | Very high | 95 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | trans | 50 | 41 | -178.9 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | Q417 | Q417-S421 VanDerWaalsContact O-CA 3.23Å; Q417-S421 WeakPolarHBondContact O-CA 3.4Å; Q417-S421 PolarHBondContact O-N 3.5Å | ||
| 422 | Y | 93.7 | Very high | 95 | Very high | 119 Ų | 119 | 62.4 Ų | 62.4 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | trans | -81.2 | -26.8 | -170.3 | 72 | -89.2 | 0 | 0 | 0 | 114.2 | I413 L416 Q417 Y420 P424 | I413-Y422 WeakPolarHBondContact CG2-OH 3.26Å; L416-Y422 HydrophobicContact CB-CE1 4.03Å; Q417-Y422 HydrophobicContact CB-CE1 3.98Å; Y420-Y422 PolarHBondContact O-N 3.29Å; Y422-P424 WeakPolarHBondContact O-CD 3.28Å | ||
| 423 | I | 93.4 | Very high | 95 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | trans | -73 | 119.3 | 172.8 | -60.5 | 174.4 | 0 | 0 | 0 | 107.4 | F363 Q417 H425 I428 M429 | F363-I423 HydrophobicContact CE1-CB 4.41Å; F363-I423 HydrophobicContact CE1-CG2 4.19Å; F363-I423 VanDerWaalsContact CE1-O 3.24Å; F363-I423 WeakPolarHBondContact CE1-O 3.31Å; F363-I423 HydrophobicContact CZ-CB 4.49Å; F363-I423 HydrophobicContact CZ-CG2 4.37Å; Q417-I423 HydrophobicContact CB-CD1 4.42Å; Q417-I423 HydrophobicContact CG-CD1 4.25Å; Q417-I423 PolarHBondContact NE2-O 2.91Å; Q417-I423 VanDerWaalsContact OE1-CB 3.28Å; Q417-I423 VanDerWaalsContact OE1-CG1 3.3Å; I423-H425 WeakPolarHBondContact CG2-O 3.45Å; I423-I428 HydrophobicContact CG2-CB 3.75Å; I423-I428 HydrophobicContact CG2-CD1 4.29Å; I423-I428 HydrophobicContact CG2-CG2 3.92Å; I423-M429 HydrophobicContact CD1-SD 4.15Å | ||
| 424 | P | 91.3 | Very high | 95 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | trans | -83.9 | -19.9 | -173.7 | 31.4 | -35.2 | 0 | 0 | 0 | 113.8 | Y422 | Y422-P424 WeakPolarHBondContact O-CD 3.28Š| ||
| 425 | H | 93.2 | Very high | 95.1 | Very high | 113 Ų | 113 | 63.4 Ų | 63.4 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | trans | -125.1 | 127 | -171.3 | -62.4 | -49.7 | 0 | 0 | 0 | 111.9 | I423 W427 I428 | I423-H425 WeakPolarHBondContact CG2-O 3.45Å; H425-W427 PolarHBondContact O-N 3.4Å; H425-W427 VanDerWaalsContact O-N 3.15Å; H425-I428 HydrophobicContact CB-CD1 4.35Å; H425-I428 HydrophobicContact CB-CG1 4.43Å; H425-I428 PolarHBondContact O-N 2.77Å; H425-I428 VanDerWaalsContact O-N 3.1Å | ||
| 426 | I | 94.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -31.3 | 178.2 | -166.2 | 169.9 | 0 | 0 | 0 | 113 | F363 T366 L368 Q373 Y377 I428 M429 F430 | F363-I426 HydrophobicContact CB-CB 4.15Å; F363-I426 HydrophobicContact CB-CD1 4.43Å; F363-I426 HydrophobicContact CB-CG1 4.49Å; F363-I426 HydrophobicContact CD1-CB 4.19Å; F363-I426 HydrophobicContact CD2-CB 4.17Å; F363-I426 HydrophobicContact CD2-CD1 4.35Å; F363-I426 HydrophobicContact CD2-CG1 3.95Å; F363-I426 HydrophobicContact CE2-CG1 4.44Å; F363-I426 HydrophobicContact CG-CB 3.91Å; F363-I426 HydrophobicContact CG-CG1 4.19Å; T366-I426 HydrophobicContact CG2-CB 3.73Å; T366-I426 HydrophobicContact CG2-CD1 4.11Å; T366-I426 HydrophobicContact CG2-CG2 3.48Å; T366-I426 VanDerWaalsContact CG2-CG2 3.48Å; L368-I426 HydrophobicContact CD1-CD1 4.24Å; Q373-I426 HydrophobicContact CB-CD1 4.31Å; Q373-I426 HydrophobicContact CG-CD1 3.67Å; Y377-I426 HydrophobicContact CE1-CD1 4.4Å; Y377-I426 HydrophobicContact CE1-CG1 4.4Å; I426-I428 VanDerWaalsContact C-N 3.25Å; I426-I428 PolarHBondContact O-N 3.42Å; I426-M429 CarbonylContact O-C 3.55Å; I426-M429 WeakPolarHBondContact O-CA 3.41Å; I426-M429 WeakPolarHBondContact O-CB 3.32Å; I426-M429 PolarHBondContact O-N 2.85Å; I426-F430 HydrophobicContact CD1-CD1 4.42Å; I426-F430 HydrophobicContact CD1-CE1 3.59Å; I426-F430 HydrophobicContact CD1-CZ 3.71Å; I426-F430 HydrophobicContact CG1-CD1 3.88Å; I426-F430 HydrophobicContact CG1-CE1 3.54Å; I426-F430 HydrophobicContact CG1-CZ 3.91Å; I426-F430 PolarHBondContact O-N 3.24Å |
| 427 | W | 94.7 | Very high | 95.3 | Very high | 184 Ų | 184 | 58.6 Ų | 58.6 | 70% | 0.697 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.5 | -32.8 | 179.6 | -60.4 | 114.3 | 0 | 0 | 0 | 113.2 | H425 F430 M431 | H425-W427 PolarHBondContact O-N 3.4Å; H425-W427 VanDerWaalsContact O-N 3.15Å; W427-F430 AromaticContact CE3-CD2 3.59Å; W427-F430 HydrophobicContact CE3-CD2 3.59Å; W427-F430 HydrophobicContact CE3-CE2 4.02Å; W427-F430 AromaticContact CZ3-CD2 3.75Å; W427-F430 HydrophobicContact CZ3-CD2 3.75Å; W427-F430 AromaticContact CZ3-CE2 3.82Å; W427-F430 HydrophobicContact CZ3-CE2 3.82Å; W427-M431 WeakPolarHBondContact O-CG 3.49Å; W427-M431 PolarHBondContact O-N 3.17Å |
| 428 | I | 95.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 174.3 | -60.9 | 172.8 | 0 | 0 | 0 | 108.9 | I423 H425 I426 F430 M431 V432 | I423-I428 HydrophobicContact CG2-CB 3.75Å; I423-I428 HydrophobicContact CG2-CD1 4.29Å; I423-I428 HydrophobicContact CG2-CG2 3.92Å; H425-I428 HydrophobicContact CB-CD1 4.35Å; H425-I428 HydrophobicContact CB-CG1 4.43Å; H425-I428 PolarHBondContact O-N 2.77Å; H425-I428 VanDerWaalsContact O-N 3.1Å; I426-I428 VanDerWaalsContact C-N 3.25Å; I426-I428 PolarHBondContact O-N 3.42Å; I428-F430 VanDerWaalsContact C-N 3.32Å; I428-F430 PolarHBondContact O-N 3.02Å; I428-M431 WeakPolarHBondContact O-CB 3.5Å; I428-M431 PolarHBondContact O-N 3.31Å; I428-M431 VanDerWaalsContact O-N 3.14Å; I428-V432 WeakPolarHBondContact O-CG2 3.35Å; I428-V432 PolarHBondContact O-N 3.43Å |
| 429 | M | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.8 | -163.4 | 65.5 | -122.5 | 0 | 0 | 112.4 | L361 F363 C414 Q417 I423 I426 M431 V432 I433 | L361-M429 HydrophobicContact CD1-CE 4.14Å; L361-M429 HydrophobicContact CD1-SD 4.44Å; L361-M429 HydrophobicContact CD2-SD 4.26Å; F363-M429 HydrophobicContact CE2-CB 3.79Å; F363-M429 HydrophobicContact CE2-CG 3.83Å; F363-M429 HydrophobicContact CZ-CB 3.65Å; F363-M429 HydrophobicContact CZ-CG 3.99Å; C414-M429 VanDerWaalsContact SG-CE 3.57Å; Q417-M429 HydrophobicContact CG-SD 4.17Å; I423-M429 HydrophobicContact CD1-SD 4.15Å; I426-M429 CarbonylContact O-C 3.55Å; I426-M429 WeakPolarHBondContact O-CA 3.41Å; I426-M429 WeakPolarHBondContact O-CB 3.32Å; I426-M429 PolarHBondContact O-N 2.85Å; M429-M431 VanDerWaalsContact C-N 3.3Å; M429-M431 PolarHBondContact O-N 2.92Å; M429-V432 HydrophobicContact CE-CB 3.7Å; M429-V432 HydrophobicContact CE-CG1 3.42Å; M429-V432 VanDerWaalsContact CE-CG1 3.42Å; M429-V432 WeakPolarHBondContact O-CB 3.44Å; M429-V432 PolarHBondContact O-N 3.3Å; M429-V432 VanDerWaalsContact O-N 3.14Å; M429-I433 HydrophobicContact CE-CD1 3.99Å; M429-I433 HydrophobicContact CE-CG1 3.69Å; M429-I433 HydrophobicContact CG-CD1 3.98Å; M429-I433 WeakPolarHBondContact O-CG1 3.17Å; M429-I433 PolarHBondContact O-N 3.3Å |
| 430 | F | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 173.1 | -78.2 | 1.1 | 0 | 0 | 0 | 112.4 | L368 W376 Y377 L380 I426 W427 I428 I433 F434 | L368-F430 HydrophobicContact CD1-CZ 4.01Å; W376-F430 HydrophobicContact CB-CE1 4.02Å; W376-F430 HydrophobicContact CB-CZ 3.75Å; W376-F430 HydrophobicContact CG-CZ 4.2Å; Y377-F430 AromaticContact CD1-CD1 3.85Å; Y377-F430 HydrophobicContact CD1-CD1 3.85Å; Y377-F430 AromaticContact CD1-CE1 3.67Å; Y377-F430 HydrophobicContact CD1-CE1 3.67Å; Y377-F430 AromaticContact CE1-CD1 3.74Å; Y377-F430 HydrophobicContact CE1-CD1 3.74Å; Y377-F430 AromaticContact CE1-CE1 3.48Å; Y377-F430 HydrophobicContact CE1-CE1 3.48Å; Y377-F430 VanDerWaalsContact CE1-CE1 3.48Å; L380-F430 HydrophobicContact CD1-CB 3.45Å; L380-F430 VanDerWaalsContact CD1-CB 3.45Å; L380-F430 HydrophobicContact CD1-CD1 3.53Å; L380-F430 HydrophobicContact CD1-CD2 3.78Å; L380-F430 HydrophobicContact CD1-CE1 4.14Å; L380-F430 HydrophobicContact CD1-CE2 4.39Å; L380-F430 HydrophobicContact CD1-CG 3.32Å; I426-F430 HydrophobicContact CD1-CD1 4.42Å; I426-F430 HydrophobicContact CD1-CE1 3.59Å; I426-F430 HydrophobicContact CD1-CZ 3.71Å; I426-F430 HydrophobicContact CG1-CD1 3.88Å; I426-F430 HydrophobicContact CG1-CE1 3.54Å; I426-F430 HydrophobicContact CG1-CZ 3.91Å; I426-F430 PolarHBondContact O-N 3.24Å; W427-F430 AromaticContact CE3-CD2 3.59Å; W427-F430 HydrophobicContact CE3-CD2 3.59Å; W427-F430 HydrophobicContact CE3-CE2 4.02Å; W427-F430 AromaticContact CZ3-CD2 3.75Å; W427-F430 HydrophobicContact CZ3-CD2 3.75Å; W427-F430 AromaticContact CZ3-CE2 3.82Å; W427-F430 HydrophobicContact CZ3-CE2 3.82Å; I428-F430 VanDerWaalsContact C-N 3.32Å; I428-F430 PolarHBondContact O-N 3.02Å; F430-I433 PolarHBondContact O-N 3.47Å; F430-F434 WeakPolarHBondContact O-CB 3.41Å; F430-F434 PolarHBondContact O-N 3.02Å |
| 431 | M | 97.9 | Very high | 95.9 | Very high | 132 Ų | 132 | 49 Ų | 49 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68 | -37.8 | 175.2 | -66.8 | -63.2 | 162.7 | 0 | 0 | 112 | W427 I428 M429 Y435 | W427-M431 WeakPolarHBondContact O-CG 3.49Å; W427-M431 PolarHBondContact O-N 3.17Å; I428-M431 WeakPolarHBondContact O-CB 3.5Å; I428-M431 PolarHBondContact O-N 3.31Å; I428-M431 VanDerWaalsContact O-N 3.14Å; M429-M431 VanDerWaalsContact C-N 3.3Å; M429-M431 PolarHBondContact O-N 2.92Å; M431-Y435 WeakPolarHBondContact O-CB 3.45Å; M431-Y435 PolarHBondContact O-N 2.83Å |
| 432 | V | 98 | Very high | 96.2 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | N410 I413 I428 M429 Y435 E436 | N410-V432 VanDerWaalsContact OD1-CG1 3.23Å; N410-V432 WeakPolarHBondContact OD1-CG1 3.33Å; I413-V432 HydrophobicContact CG2-CG1 4.38Å; I428-V432 WeakPolarHBondContact O-CG2 3.35Å; I428-V432 PolarHBondContact O-N 3.43Å; M429-V432 HydrophobicContact CE-CB 3.7Å; M429-V432 HydrophobicContact CE-CG1 3.42Å; M429-V432 VanDerWaalsContact CE-CG1 3.42Å; M429-V432 WeakPolarHBondContact O-CB 3.44Å; M429-V432 PolarHBondContact O-N 3.3Å; M429-V432 VanDerWaalsContact O-N 3.14Å; V432-Y435 WeakPolarHBondContact O-CB 3.44Å; V432-Y435 PolarHBondContact O-N 2.99Å; V432-E436 PolarHBondContact O-N 2.62Å |
| 433 | I | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.3 | -38.9 | 177.7 | -68.5 | 164.5 | 0 | 0 | 0 | 111.7 | F358 Y377 L380 M429 F430 Y435 E436 G437 | F358-I433 HydrophobicContact CE1-CD1 4.13Å; F358-I433 HydrophobicContact CE1-CG1 3.98Å; F358-I433 HydrophobicContact CE1-CG2 4.34Å; F358-I433 HydrophobicContact CE2-CG2 4.48Å; F358-I433 HydrophobicContact CZ-CD1 4.43Å; F358-I433 HydrophobicContact CZ-CG1 4.21Å; F358-I433 HydrophobicContact CZ-CG2 3.71Å; Y377-I433 HydrophobicContact CD1-CD1 3.2Å; Y377-I433 HydrophobicContact CD2-CD1 4.17Å; Y377-I433 HydrophobicContact CE1-CD1 3.71Å; Y377-I433 HydrophobicContact CG-CD1 3.47Å; Y377-I433 VanDerWaalsContact CG-CD1 3.47Å; Y377-I433 VanDerWaalsContact O-CG2 3.31Å; Y377-I433 WeakPolarHBondContact O-CG2 3.41Å; L380-I433 HydrophobicContact CB-CG2 4.3Å; M429-I433 HydrophobicContact CE-CD1 3.99Å; M429-I433 HydrophobicContact CE-CG1 3.69Å; M429-I433 HydrophobicContact CG-CD1 3.98Å; M429-I433 WeakPolarHBondContact O-CG1 3.17Å; M429-I433 PolarHBondContact O-N 3.3Å; F430-I433 PolarHBondContact O-N 3.47Å; I433-Y435 VanDerWaalsContact C-N 3.26Å; I433-Y435 PolarHBondContact O-N 2.92Å; I433-E436 VanDerWaalsContact O-CB 3.29Å; I433-E436 WeakPolarHBondContact O-CB 3.35Å; I433-E436 PolarHBondContact O-N 3.34Å; I433-G437 PolarHBondContact O-N 2.92Å; I433-G437 VanDerWaalsContact O-N 3.14Å |
| 434 | F | 98 | Very high | 96.5 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 170.1 | 172.3 | -100.4 | 0 | 0 | 0 | 111.3 | I383 L387 F430 G437 C438 | I383-F434 HydrophobicContact CG2-CD2 4.45Å; I383-F434 HydrophobicContact CG2-CE2 4.03Å; L387-F434 HydrophobicContact CD1-CE2 3.96Å; L387-F434 HydrophobicContact CD1-CZ 3.97Å; F430-F434 WeakPolarHBondContact O-CB 3.41Å; F430-F434 PolarHBondContact O-N 3.02Å; F434-G437 PolarHBondContact O-N 2.88Å; F434-C438 VanDerWaalsContact CE1-SG 3.6Å; F434-C438 VanDerWaalsContact CZ-SG 3.58Å; F434-C438 PolarHBondContact O-N 3.35Å; F434-C438 PolarHBondContact O-SG 2.79Å |
| 435 | Y | 98.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 35% | 0.345 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.9 | 172.1 | -111.6 | 0 | 0 | 0 | 112.7 | L406 M431 V432 I433 G437 C438 L439 | L406-Y435 WeakPolarHBondContact CB-OH 3.35Å; L406-Y435 WeakPolarHBondContact CD1-OH 3.47Å; M431-Y435 WeakPolarHBondContact O-CB 3.45Å; M431-Y435 PolarHBondContact O-N 2.83Å; V432-Y435 WeakPolarHBondContact O-CB 3.44Å; V432-Y435 PolarHBondContact O-N 2.99Å; I433-Y435 VanDerWaalsContact C-N 3.26Å; I433-Y435 PolarHBondContact O-N 2.92Å; Y435-G437 PolarHBondContact O-N 2.93Å; Y435-C438 WeakPolarHBondContact O-CB 3.33Å; Y435-C438 PolarHBondContact O-N 3.35Å; Y435-C438 VanDerWaalsContact O-N 3.12Å; Y435-L439 HydrophobicContact CD1-CD1 4Å; Y435-L439 HydrophobicContact CD2-CG 4.33Å; Y435-L439 HydrophobicContact CE1-CD1 3.4Å; Y435-L439 HydrophobicContact CE1-CG 4.13Å; Y435-L439 HydrophobicContact CE2-CD1 4.07Å; Y435-L439 HydrophobicContact CE2-CD2 3.94Å; Y435-L439 HydrophobicContact CE2-CG 3.91Å; Y435-L439 VanDerWaalsContact CZ-CD1 3.45Å; Y435-L439 WeakPolarHBondContact O-CG 3.38Å; Y435-L439 PolarHBondContact O-N 2.96Å |
| 436 | E | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.1 | -53.2 | 171.8 | -176.6 | -144 | 144.7 | 0 | 0 | 111.5 | I353 N354 F358 Y381 Q407 N410 V432 I433 C438 L439 G440 | I353-E436 HydrophobicContact CD1-CG 3.97Å; N354-E436 PolarHBondContact ND2-OE1 2.95Å; N354-E436 PolarHBondContact OD1-OE1 3.42Å; F358-E436 VanDerWaalsContact CZ-OE2 3.27Å; F358-E436 WeakPolarHBondContact CZ-OE2 3.31Å; Y381-E436 WeakPolarHBondContact CD2-OE1 3.47Å; Y381-E436 WeakPolarHBondContact CE2-OE1 3.22Å; Q407-E436 VanDerWaalsContact NE2-CG 3.3Å; N410-E436 VanDerWaalsContact ND2-CB 3.32Å; N410-E436 WeakPolarHBondContact ND2-CB 3.26Å; V432-E436 PolarHBondContact O-N 2.62Å; I433-E436 VanDerWaalsContact O-CB 3.29Å; I433-E436 WeakPolarHBondContact O-CB 3.35Å; I433-E436 PolarHBondContact O-N 3.34Å; E436-C438 VanDerWaalsContact C-N 3.25Å; E436-C438 PolarHBondContact O-N 3.01Å; E436-L439 PolarHBondContact O-N 2.67Å; E436-G440 PolarHBondContact O-N 3.03Å; E436-G440 VanDerWaalsContact O-N 3.11Å |
| 437 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -34.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G384 V385 S388 I433 F434 Y435 G441 | G384-G437 CarbonylContact C-O 3.46Å; V385-G437 WeakPolarHBondContact CA-O 3.3Å; V385-G437 WeakPolarHBondContact CG2-O 3.06Å; V385-G437 PolarHBondContact N-O 2.94Å; S388-G437 PolarHBondContact OG-O 2.88Å; I433-G437 PolarHBondContact O-N 2.92Å; I433-G437 VanDerWaalsContact O-N 3.14Å; F434-G437 PolarHBondContact O-N 2.88Å; Y435-G437 PolarHBondContact O-N 2.93Å; G437-G441 PolarHBondContact O-N 2.96Å |
| 438 | C | 97.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 22.2 Ų | 22.2 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | S388 F434 Y435 E436 L442 | S388-C438 VanDerWaalsContact CB-O 3.23Å; S388-C438 WeakPolarHBondContact CB-O 3.46Å; S388-C438 PolarHBondContact OG-O 3.27Å; F434-C438 VanDerWaalsContact CE1-SG 3.6Å; F434-C438 VanDerWaalsContact CZ-SG 3.58Å; F434-C438 PolarHBondContact O-N 3.35Å; F434-C438 PolarHBondContact O-SG 2.79Å; Y435-C438 WeakPolarHBondContact O-CB 3.33Å; Y435-C438 PolarHBondContact O-N 3.35Å; Y435-C438 VanDerWaalsContact O-N 3.12Å; E436-C438 VanDerWaalsContact C-N 3.25Å; E436-C438 PolarHBondContact O-N 3.01Å; C438-L442 WeakPolarHBondContact O-CB 3.48Å; C438-L442 WeakPolarHBondContact O-CG 3.45Å; C438-L442 PolarHBondContact O-N 3.42Å |
| 439 | L | 98 | Very high | 97 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 178.7 | -71.2 | 177.7 | 0 | 0 | 0 | 111.7 | M403 L406 Q407 Y435 E436 T443 | M403-L439 HydrophobicContact CB-CD2 4.27Å; M403-L439 HydrophobicContact CG-CD2 4.48Å; L406-L439 HydrophobicContact CB-CD1 3.83Å; L406-L439 HydrophobicContact CB-CD2 3.98Å; L406-L439 HydrophobicContact CD1-CD2 4.13Å; Q407-L439 HydrophobicContact CB-CD1 4.21Å; Q407-L439 VanDerWaalsContact OE1-CB 3.23Å; Y435-L439 HydrophobicContact CD1-CD1 4Å; Y435-L439 HydrophobicContact CD2-CG 4.33Å; Y435-L439 HydrophobicContact CE1-CD1 3.4Å; Y435-L439 HydrophobicContact CE1-CG 4.13Å; Y435-L439 HydrophobicContact CE2-CD1 4.07Å; Y435-L439 HydrophobicContact CE2-CD2 3.94Å; Y435-L439 HydrophobicContact CE2-CG 3.91Å; Y435-L439 VanDerWaalsContact CZ-CD1 3.45Å; Y435-L439 WeakPolarHBondContact O-CG 3.38Å; Y435-L439 PolarHBondContact O-N 2.96Å; E436-L439 PolarHBondContact O-N 2.67Å; L439-T443 WeakPolarHBondContact O-CB 3.48Å; L439-T443 PolarHBondContact O-N 3.35Å; L439-T443 PolarHBondContact O-OG1 3.23Å |
| 440 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.9 | -59.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E350 E436 L442 T443 Y444 | E350-G440 WeakPolarHBondContact OE2-CA 3.48Å; E436-G440 PolarHBondContact O-N 3.03Å; E436-G440 VanDerWaalsContact O-N 3.11Å; G440-L442 PolarHBondContact O-N 3.17Å; G440-T443 PolarHBondContact O-N 2.91Å; G440-Y444 PolarHBondContact O-N 2.79Å |
| 441 | G | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | S388 G437 Y444 V445 | S388-G441 WeakPolarHBondContact OG-CA 3.32Å; G437-G441 PolarHBondContact O-N 2.96Å; G441-Y444 PolarHBondContact O-N 3.13Å; G441-V445 WeakPolarHBondContact O-CG1 3.42Å; G441-V445 PolarHBondContact O-N 3.24Å; G441-V445 VanDerWaalsContact O-N 3.09Å |
| 442 | L | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 13 Ų | 13 | 17% | 0.168 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 174.2 | -81.2 | 175.7 | 0 | 0 | 0 | 110.7 | S391 F397 M403 C438 G440 Y444 N446 | S391-L442 WeakPolarHBondContact OG-CD2 3.09Å; F397-L442 HydrophobicContact CD2-CD2 4.19Å; F397-L442 HydrophobicContact CE2-CD1 4.42Å; F397-L442 HydrophobicContact CE2-CD2 3.87Å; M403-L442 HydrophobicContact CE-CB 3.75Å; M403-L442 HydrophobicContact CE-CD1 4.16Å; M403-L442 HydrophobicContact CE-CG 4.38Å; M403-L442 HydrophobicContact SD-CB 3.84Å; C438-L442 WeakPolarHBondContact O-CB 3.48Å; C438-L442 WeakPolarHBondContact O-CG 3.45Å; C438-L442 PolarHBondContact O-N 3.42Å; G440-L442 PolarHBondContact O-N 3.17Å; L442-Y444 PolarHBondContact O-N 3.29Å; L442-N446 VanDerWaalsContact O-CB 3.25Å; L442-N446 WeakPolarHBondContact O-CB 3.32Å; L442-N446 PolarHBondContact O-N 3.36Å; L442-N446 PolarHBondContact O-ND2 3.12Å |
| 443 | T | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | L343 V346 M403 L439 G440 T447 | L343-T443 HydrophobicContact CD1-CG2 4.15Å; V346-T443 HydrophobicContact CB-CG2 4.04Å; V346-T443 HydrophobicContact CG1-CG2 4.4Å; V346-T443 HydrophobicContact CG2-CG2 3.74Å; V346-T443 WeakPolarHBondContact CG2-OG1 3.29Å; M403-T443 WeakPolarHBondContact CB-OG1 3.23Å; L439-T443 WeakPolarHBondContact O-CB 3.48Å; L439-T443 PolarHBondContact O-N 3.35Å; L439-T443 PolarHBondContact O-OG1 3.23Å; G440-T443 PolarHBondContact O-N 2.91Å; T443-T447 WeakPolarHBondContact O-CB 3.43Å; T443-T447 PolarHBondContact O-N 3.25Å; T443-T447 PolarHBondContact O-OG1 3.39Å |
| 444 | Y | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.8 | -61.2 | 178.2 | -179.2 | -93.9 | 0 | 0 | 0 | 111.7 | W192 S193 L343 Y347 R389 G440 G441 L442 N446 T447 F448 | W192-Y444 PolarHBondContact NE1-OH 3.34Å; S193-Y444 WeakPolarHBondContact OG-CE1 3.17Å; L343-Y444 HydrophobicContact CD1-CD2 4.37Å; Y347-Y444 AromaticContact CE2-CD2 3.96Å; Y347-Y444 HydrophobicContact CE2-CD2 3.96Å; Y347-Y444 AromaticContact CZ-CD2 3.77Å; Y347-Y444 WeakPolarHBondContact OH-CD2 3.19Å; R389-Y444 HydrophobicContact CG-CD1 4.42Å; G440-Y444 PolarHBondContact O-N 2.79Å; G441-Y444 PolarHBondContact O-N 3.13Å; L442-Y444 PolarHBondContact O-N 3.29Å; Y444-N446 VanDerWaalsContact C-N 3.35Å; Y444-N446 PolarHBondContact O-N 3.45Å; Y444-T447 PolarHBondContact O-N 2.93Å; Y444-F448 HydrophobicContact CD1-CD2 4.28Å; Y444-F448 HydrophobicContact CD2-CD2 4.05Å; Y444-F448 AromaticContact CD2-CE2 3.69Å; Y444-F448 HydrophobicContact CD2-CE2 3.69Å; Y444-F448 HydrophobicContact CE1-CD2 4.07Å; Y444-F448 HydrophobicContact CE1-CE2 4.32Å; Y444-F448 AromaticContact CE2-CD2 3.89Å; Y444-F448 HydrophobicContact CE2-CD2 3.89Å; Y444-F448 AromaticContact CE2-CE2 3.33Å; Y444-F448 HydrophobicContact CE2-CE2 3.33Å; Y444-F448 HydrophobicContact CE2-CZ 4.32Å; Y444-F448 HydrophobicContact CG-CD2 4.27Å; Y444-F448 HydrophobicContact CG-CE2 4.37Å; Y444-F448 AromaticContact CZ-CD2 3.88Å; Y444-F448 AromaticContact CZ-CE2 3.67Å; Y444-F448 VanDerWaalsContact O-CD2 3.32Å; Y444-F448 WeakPolarHBondContact O-CD2 3.44Å; Y444-F448 PolarHBondContact O-N 3Å |
| 445 | V | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | -172.2 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | V392 G441 Y449 | V392-V445 HydrophobicContact CB-CB 4.44Å; V392-V445 HydrophobicContact CB-CG1 3.93Å; V392-V445 HydrophobicContact CB-CG2 3.64Å; V392-V445 HydrophobicContact CG1-CG2 3.46Å; V392-V445 VanDerWaalsContact CG1-CG2 3.46Å; V392-V445 HydrophobicContact CG2-CG1 4.46Å; V392-V445 HydrophobicContact CG2-CG2 4.21Å; G441-V445 WeakPolarHBondContact O-CG1 3.42Å; G441-V445 PolarHBondContact O-N 3.24Å; G441-V445 VanDerWaalsContact O-N 3.09Å; V445-Y449 WeakPolarHBondContact O-CB 3.42Å; V445-Y449 PolarHBondContact O-N 3.33Å |
| 446 | N | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.2 | -36.8 | -179.1 | -74 | -78.6 | 0 | 0 | 0 | 111.8 | H396 F397 T400 L442 Y444 Y449 N450 | H396-N446 PolarHBondContact CD2-OD1 3.21Å; F397-N446 PolarHBondContact N-OD1 3.16Å; T400-N446 HydrophobicContact CG2-CB 3.91Å; L442-N446 VanDerWaalsContact O-CB 3.25Å; L442-N446 WeakPolarHBondContact O-CB 3.32Å; L442-N446 PolarHBondContact O-N 3.36Å; L442-N446 PolarHBondContact O-ND2 3.12Å; Y444-N446 VanDerWaalsContact C-N 3.35Å; Y444-N446 PolarHBondContact O-N 3.45Å; N446-Y449 PolarHBondContact O-N 2.97Å; N446-N450 VanDerWaalsContact O-CB 3.3Å; N446-N450 WeakPolarHBondContact O-CB 3.38Å; N446-N450 PolarHBondContact O-N 2.95Å; N446-N450 PolarHBondContact O-ND2 3.46Å; N446-N450 VanDerWaalsContact O-ND2 3.13Å |
| 447 | T | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 174.5 | -71.3 | 0 | 0 | 0 | 0 | 111 | L343 T443 Y444 Y449 N450 I451 | L343-T447 HydrophobicContact CB-CG2 4.27Å; L343-T447 HydrophobicContact CD2-CG2 4Å; T443-T447 WeakPolarHBondContact O-CB 3.43Å; T443-T447 PolarHBondContact O-N 3.25Å; T443-T447 PolarHBondContact O-OG1 3.39Å; Y444-T447 PolarHBondContact O-N 2.93Å; T447-Y449 VanDerWaalsContact C-N 3.32Å; T447-Y449 PolarHBondContact O-N 2.88Å; T447-N450 PolarHBondContact O-N 3.04Å; T447-I451 HydrophobicContact CG2-CD1 3.65Å; T447-I451 WeakPolarHBondContact O-CD1 3.22Å; T447-I451 WeakPolarHBondContact O-CG1 3.41Å; T447-I451 PolarHBondContact O-N 2.83Å |
| 448 | F | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 178.4 | -78.1 | -71.8 | 0 | 0 | 0 | 112.8 | L178 I189 L343 Y444 L452 M464 A467 T468 | L178-F448 HydrophobicContact CD1-CD1 4.45Å; L178-F448 HydrophobicContact CD1-CE1 3.85Å; L178-F448 HydrophobicContact CD1-CE2 4.39Å; L178-F448 HydrophobicContact CD1-CZ 3.82Å; L178-F448 HydrophobicContact CD2-CD1 4.09Å; L178-F448 HydrophobicContact CD2-CE1 4.3Å; L178-F448 HydrophobicContact CD2-CG 4.29Å; I189-F448 HydrophobicContact CD1-CB 3.89Å; I189-F448 HydrophobicContact CD1-CG 4.46Å; I189-F448 HydrophobicContact CG1-CB 3.88Å; L343-F448 HydrophobicContact CD2-CE2 4.02Å; L343-F448 HydrophobicContact CD2-CZ 4.37Å; Y444-F448 HydrophobicContact CD1-CD2 4.28Å; Y444-F448 HydrophobicContact CD2-CD2 4.05Å; Y444-F448 AromaticContact CD2-CE2 3.69Å; Y444-F448 HydrophobicContact CD2-CE2 3.69Å; Y444-F448 HydrophobicContact CE1-CD2 4.07Å; Y444-F448 HydrophobicContact CE1-CE2 4.32Å; Y444-F448 AromaticContact CE2-CD2 3.89Å; Y444-F448 HydrophobicContact CE2-CD2 3.89Å; Y444-F448 AromaticContact CE2-CE2 3.33Å; Y444-F448 HydrophobicContact CE2-CE2 3.33Å; Y444-F448 HydrophobicContact CE2-CZ 4.32Å; Y444-F448 HydrophobicContact CG-CD2 4.27Å; Y444-F448 HydrophobicContact CG-CE2 4.37Å; Y444-F448 AromaticContact CZ-CD2 3.88Å; Y444-F448 AromaticContact CZ-CE2 3.67Å; Y444-F448 VanDerWaalsContact O-CD2 3.32Å; Y444-F448 WeakPolarHBondContact O-CD2 3.44Å; Y444-F448 PolarHBondContact O-N 3Å; F448-L452 WeakPolarHBondContact O-CB 3.29Å; F448-L452 PolarHBondContact O-N 3.31Å; F448-M464 HydrophobicContact CB-CE 4.14Å; F448-M464 HydrophobicContact CD1-CE 3.65Å; F448-M464 HydrophobicContact CD1-SD 4.14Å; F448-M464 HydrophobicContact CG-CE 4.32Å; F448-A467 HydrophobicContact CD1-CB 4.35Å; F448-A467 HydrophobicContact CE1-CB 3.76Å; F448-A467 HydrophobicContact CZ-CB 4.44Å; F448-T468 HydrophobicContact CE1-CG2 4.28Å; F448-T468 HydrophobicContact CZ-CG2 4.43Å |
| 449 | Y | 94.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 12.7 Ų | 12.7 | 13% | 0.129 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 176 | -164.4 | -89.2 | 0 | 0 | 0 | 111.7 | K186 I189 V392 H396 V445 N446 T447 L452 Q453 | K186-Y449 HydrophobicContact CB-CE2 4.16Å; I189-Y449 HydrophobicContact CG2-CD2 3.44Å; I189-Y449 VanDerWaalsContact CG2-CD2 3.44Å; I189-Y449 HydrophobicContact CG2-CE2 4.18Å; I189-Y449 HydrophobicContact CG2-CG 4.35Å; V392-Y449 HydrophobicContact CG1-CD2 4.11Å; V392-Y449 HydrophobicContact CG1-CE2 4.49Å; V392-Y449 HydrophobicContact CG2-CD1 4.05Å; V392-Y449 HydrophobicContact CG2-CD2 3.71Å; V392-Y449 HydrophobicContact CG2-CE2 4.3Å; V392-Y449 HydrophobicContact CG2-CG 3.62Å; H396-Y449 AromaticContact CD2-CD1 3.55Å; H396-Y449 AromaticContact CD2-CE1 3.99Å; H396-Y449 AromaticContact CE1-CD1 3.85Å; H396-Y449 AromaticContact CE1-CE1 3.96Å; H396-Y449 AromaticContact CG-CE1 3.97Å; H396-Y449 AromaticContact ND1-CE1 3.96Å; H396-Y449 AromaticContact NE2-CD1 3.46Å; H396-Y449 WeakPolarHBondContact NE2-CD1 3.1Å; H396-Y449 AromaticContact NE2-CE1 4Å; V445-Y449 WeakPolarHBondContact O-CB 3.42Å; V445-Y449 PolarHBondContact O-N 3.33Å; N446-Y449 PolarHBondContact O-N 2.97Å; T447-Y449 VanDerWaalsContact C-N 3.32Å; T447-Y449 PolarHBondContact O-N 2.88Å; Y449-L452 PolarHBondContact O-N 3.47Å; Y449-Q453 HydrophobicContact CD1-CG 4.24Å; Y449-Q453 HydrophobicContact CE1-CG 4.15Å; Y449-Q453 WeakPolarHBondContact O-CG 3.23Å; Y449-Q453 PolarHBondContact O-N 3.15Å; Y449-Q453 VanDerWaalsContact O-N 3.11Å; Y449-Q453 PolarHBondContact OH-NE2 3.37Å |
| 450 | N | 93.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.011 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.4 | -70 | -22.4 | 0 | 0 | 0 | 111.2 | H396 F397 K398 N446 T447 L452 Q453 E454 | H396-N450 PolarHBondContact CE1-OD1 3.39Å; H396-N450 PolarHBondContact NE2-OD1 2.85Å; F397-N450 PolarHBondContact O-ND2 2.88Å; K398-N450 PolarHBondContact O-ND2 3.11Å; N446-N450 VanDerWaalsContact O-CB 3.3Å; N446-N450 WeakPolarHBondContact O-CB 3.38Å; N446-N450 PolarHBondContact O-N 2.95Å; N446-N450 PolarHBondContact O-ND2 3.46Å; N446-N450 VanDerWaalsContact O-ND2 3.13Å; T447-N450 PolarHBondContact O-N 3.04Å; N450-L452 VanDerWaalsContact C-N 3.28Å; N450-L452 PolarHBondContact O-N 3.17Å; N450-Q453 WeakPolarHBondContact O-CA 3.23Å; N450-Q453 PolarHBondContact O-N 2.74Å; N450-E454 WeakPolarHBondContact O-CB 3.49Å; N450-E454 WeakPolarHBondContact O-CG 3.49Å; N450-E454 PolarHBondContact O-N 3.02Å |
| 451 | I | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 178.5 | -68.7 | 164.7 | 0 | 0 | 0 | 110.9 | M336 L340 T447 Q453 T455 A463 M464 A467 | M336-I451 HydrophobicContact CE-CB 4.16Å; M336-I451 HydrophobicContact CE-CD1 3.6Å; M336-I451 HydrophobicContact CE-CG1 3.65Å; M336-I451 HydrophobicContact CE-CG2 3.41Å; M336-I451 VanDerWaalsContact CE-CG2 3.41Å; M336-I451 HydrophobicContact CG-CG1 4.24Å; M336-I451 HydrophobicContact SD-CG1 4.36Å; M336-I451 HydrophobicContact SD-CG2 3.86Å; L340-I451 HydrophobicContact CD2-CD1 4.08Å; T447-I451 HydrophobicContact CG2-CD1 3.65Å; T447-I451 WeakPolarHBondContact O-CD1 3.22Å; T447-I451 WeakPolarHBondContact O-CG1 3.41Å; T447-I451 PolarHBondContact O-N 2.83Å; I451-Q453 VanDerWaalsContact C-N 3.25Å; I451-Q453 PolarHBondContact O-N 2.88Å; I451-T455 WeakPolarHBondContact O-CB 3.46Å; I451-T455 PolarHBondContact O-N 3.05Å; I451-T455 PolarHBondContact O-OG1 2.91Å; I451-A463 HydrophobicContact CG2-CB 4.09Å; I451-M464 HydrophobicContact CB-SD 4.35Å; I451-M464 HydrophobicContact CG2-SD 3.86Å; I451-A467 HydrophobicContact CD1-CB 3.58Å |
| 452 | L | 91.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.7 | -31.1 | 177.4 | -172.1 | 68.8 | 0 | 0 | 0 | 112.5 | V181 K186 F448 Y449 N450 R460 M464 | V181-L452 HydrophobicContact CG1-CD1 4.26Å; V181-L452 HydrophobicContact CG1-CD2 3.73Å; K186-L452 HydrophobicContact CB-CD2 4.17Å; K186-L452 HydrophobicContact CG-CD2 3.93Å; F448-L452 WeakPolarHBondContact O-CB 3.29Å; F448-L452 PolarHBondContact O-N 3.31Å; Y449-L452 PolarHBondContact O-N 3.47Å; N450-L452 VanDerWaalsContact C-N 3.28Å; N450-L452 PolarHBondContact O-N 3.17Å; L452-R460 HydrophobicContact CD1-CB 4.47Å; L452-R460 HydrophobicContact CD1-CG 4.35Å; L452-R460 VanDerWaalsContact O-CZ 3.29Å; L452-R460 PolarHBondContact O-NE 3.32Å; L452-R460 PolarHBondContact O-NH2 2.85Å; L452-M464 HydrophobicContact CB-SD 4.16Å; L452-M464 HydrophobicContact CD1-CG 4.42Å; L452-M464 HydrophobicContact CD1-SD 4.37Å |
| 453 | Q | 88.6 | Confident | 91.4 | Very high | 63 Ų | 63 | 12.6 Ų | 12.6 | 29% | 0.294 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -83.2 | -41.3 | 178.9 | -69 | -160.6 | -13.3 | 0 | 0 | 113.6 | K186 Y449 N450 I451 | K186-Q453 HydrophobicContact CD-CG 4.22Å; Y449-Q453 HydrophobicContact CD1-CG 4.24Å; Y449-Q453 HydrophobicContact CE1-CG 4.15Å; Y449-Q453 WeakPolarHBondContact O-CG 3.23Å; Y449-Q453 PolarHBondContact O-N 3.15Å; Y449-Q453 VanDerWaalsContact O-N 3.11Å; Y449-Q453 PolarHBondContact OH-NE2 3.37Å; N450-Q453 WeakPolarHBondContact O-CA 3.23Å; N450-Q453 PolarHBondContact O-N 2.74Å; I451-Q453 VanDerWaalsContact C-N 3.25Å; I451-Q453 PolarHBondContact O-N 2.88Å |
| 454 | E | 88.9 | Confident | 91.3 | Very high | 87 Ų | 87 | 12.6 Ų | 12.6 | 41% | 0.407 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -86.5 | -17.5 | -172.6 | -66.4 | 171.7 | 176.9 | 0 | 0 | 112.7 | Y293 N450 | Y293-E454 WeakPolarHBondContact CD2-O 3.39Å; Y293-E454 WeakPolarHBondContact CE2-O 3.26Å; N450-E454 WeakPolarHBondContact O-CB 3.49Å; N450-E454 WeakPolarHBondContact O-CG 3.49Å; N450-E454 PolarHBondContact O-N 3.02Å |
| 455 | T | 88.2 | Confident | 91.2 | Very high | 7 Ų | 7 | 12.4 Ų | 12.4 | 4% | 0.043 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -86 | 131.8 | 174.9 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | L332 I451 R460 A463 | L332-T455 HydrophobicContact CD2-CG2 3.9Å; I451-T455 WeakPolarHBondContact O-CB 3.46Å; I451-T455 PolarHBondContact O-N 3.05Å; I451-T455 PolarHBondContact O-OG1 2.91Å; T455-R460 HydrophobicContact CG2-CG 4.24Å; T455-R460 PolarHBondContact O-NE 2.72Å; T455-R460 VanDerWaalsContact O-NE 3.16Å; T455-A463 HydrophobicContact CG2-CB 3.71Å |
| 456 | S | 83.6 | Confident | 91.1 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | trans | -51.4 | 136.8 | 172.2 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | I294 E299 I458 Y459 R460 | I294-S456 WeakPolarHBondContact O-CB 3.36Å; E299-S456 PolarHBondContact OE1-OG 3.42Å; S456-I458 PolarHBondContact O-N 3.33Å; S456-Y459 PolarHBondContact O-N 3.47Å; S456-R460 PolarHBondContact O-N 2.98Å | ||
| 457 | P | 78.5 | Confident | 91.1 | Very high | 18 Ų | 18 | 15.1 Ų | 15.1 | 12% | 0.117 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -48.6 | -36.9 | -174.1 | -30.4 | 36 | 0 | 0 | 0 | 114.7 | L319 Q321 Y459 | L319-P457 HydrophobicContact CD1-CB 3.59Å; L319-P457 HydrophobicContact CD2-CB 3.68Å; L319-P457 HydrophobicContact CG-CB 4.3Å; Q321-P457 PolarHBondContact NE2-O 3.09Å; Q321-P457 PolarHBondContact OE1-O 3.08Å; P457-Y459 VanDerWaalsContact C-N 3.29Å; P457-Y459 PolarHBondContact O-N 3.03Å |
| 458 | I | 83.6 | Confident | 91 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.036 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -68.9 | -18.7 | -178 | 54.5 | 161.2 | 0 | 0 | 0 | 114.8 | L296 L319 Q321 Q322 S456 | L296-I458 HydrophobicContact CD1-CD1 4.49Å; L296-I458 HydrophobicContact CD1-CG1 4.38Å; L296-I458 HydrophobicContact CD1-CG2 4.13Å; L296-I458 HydrophobicContact CD2-CD1 3.8Å; L296-I458 HydrophobicContact CG-CD1 4.39Å; L319-I458 HydrophobicContact CD1-CG2 3.75Å; Q321-I458 CarbonylContact C-O 3.57Å; Q321-I458 WeakPolarHBondContact CA-O 3.43Å; Q321-I458 PolarHBondContact OE1-O 3.42Å; Q322-I458 PolarHBondContact N-O 3.38Å; S456-I458 PolarHBondContact O-N 3.33Å |
| 459 | Y | 89 | Confident | 91 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -114.1 | 2.2 | -177.6 | -60.5 | -55.4 | 0 | 0 | 0 | 113.9 | I294 Q322 P324 I328 L332 S456 P457 E461 Y462 A463 | I294-Y459 HydrophobicContact CG2-CD2 4.25Å; I294-Y459 HydrophobicContact CG2-CE2 4.08Å; Q322-Y459 HydrophobicContact CB-CD1 4.48Å; Q322-Y459 HydrophobicContact CB-CE1 3.92Å; Q322-Y459 PolarHBondContact OE1-OH 3.37Å; P324-Y459 HydrophobicContact CB-CD1 3.93Å; P324-Y459 HydrophobicContact CB-CE1 3.97Å; P324-Y459 HydrophobicContact CG-CD1 4.44Å; I328-Y459 WeakPolarHBondContact CD1-OH 3.39Å; I328-Y459 HydrophobicContact CG2-CD1 4.38Å; I328-Y459 HydrophobicContact CG2-CD2 4.24Å; I328-Y459 HydrophobicContact CG2-CE1 4.1Å; I328-Y459 HydrophobicContact CG2-CE2 3.96Å; I328-Y459 HydrophobicContact CG2-CG 4.46Å; L332-Y459 HydrophobicContact CD1-CG 4.23Å; S456-Y459 PolarHBondContact O-N 3.47Å; P457-Y459 VanDerWaalsContact C-N 3.29Å; P457-Y459 PolarHBondContact O-N 3.03Å; Y459-E461 VanDerWaalsContact C-N 3.34Å; Y459-E461 PolarHBondContact O-N 3.09Å; Y459-Y462 PolarHBondContact O-N 2.79Å; Y459-A463 WeakPolarHBondContact O-CB 3.48Å; Y459-A463 PolarHBondContact O-N 3.32Å |
| 460 | R | 90.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 14.4 Ų | 14.4 | 9% | 0.087 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | -175.7 | -76.9 | 177 | 178.5 | 167 | 1.6 | 112.6 | A182 Y304 L452 T455 S456 Y462 A463 M464 | A182-R460 HydrophobicContact CB-CB 3.62Å; Y304-R460 PolarHBondContact OH-NH1 2.9Å; Y304-R460 VanDerWaalsContact OH-NH1 3.11Å; L452-R460 HydrophobicContact CD1-CB 4.47Å; L452-R460 HydrophobicContact CD1-CG 4.35Å; L452-R460 VanDerWaalsContact O-CZ 3.29Å; L452-R460 PolarHBondContact O-NE 3.32Å; L452-R460 PolarHBondContact O-NH2 2.85Å; T455-R460 HydrophobicContact CG2-CG 4.24Å; T455-R460 PolarHBondContact O-NE 2.72Å; T455-R460 VanDerWaalsContact O-NE 3.16Å; S456-R460 PolarHBondContact O-N 2.98Å; R460-Y462 VanDerWaalsContact C-N 3.31Å; R460-Y462 PolarHBondContact O-N 2.9Å; R460-A463 PolarHBondContact O-N 3.31Å; R460-M464 VanDerWaalsContact O-CB 3.28Å; R460-M464 WeakPolarHBondContact O-CB 3.35Å; R460-M464 WeakPolarHBondContact O-CG 3.49Å; R460-M464 PolarHBondContact O-N 3.19Å |
| 461 | E | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 179.8 | -174.8 | -171.7 | 169.5 | 0 | 0 | 111.6 | Q128 K135 S179 A182 F183 K245 Q321 Y459 A465 | Q128-E461 HydrophobicContact CG-CG 4.13Å; K135-E461 IonicContact NZ-OE1 3.81Å; S179-E461 WeakPolarHBondContact CB-O 3Å; A182-E461 HydrophobicContact CB-CB 4.13Å; F183-E461 HydrophobicContact CE2-CB 4.39Å; F183-E461 HydrophobicContact CE2-CG 4.2Å; F183-E461 WeakPolarHBondContact CZ-OE2 3.19Å; K245-E461 IonicContact NZ-OE1 2.87Å; K245-E461 PolarHBondContact NZ-OE1 3.23Å; K245-E461 IonicContact NZ-OE2 2.55Å; K245-E461 PolarHBondContact NZ-OE2 2.87Å; Q321-E461 HydrophobicContact CB-CB 4.32Å; Q321-E461 VanDerWaalsContact CB-OE2 3.25Å; Q321-E461 WeakPolarHBondContact CB-OE2 3.4Å; Q321-E461 HydrophobicContact CG-CB 3.89Å; Q321-E461 WeakPolarHBondContact CG-OE2 3.25Å; Y459-E461 VanDerWaalsContact C-N 3.34Å; Y459-E461 PolarHBondContact O-N 3.09Å; E461-A465 WeakPolarHBondContact O-CB 3.35Å; E461-A465 PolarHBondContact O-N 2.55Å; E461-A465 VanDerWaalsContact O-N 3.11Å |
| 462 | Y | 92 | Very high | 91.1 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 5% | 0.051 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 177.2 | -179 | -94.6 | 0 | 0 | 0 | 111.7 | P124 P324 K329 L332 Y459 R460 M464 A465 M466 | P124-Y462 HydrophobicContact CB-CD2 4.38Å; P124-Y462 HydrophobicContact CB-CE2 3.68Å; P124-Y462 WeakPolarHBondContact O-CE2 3.47Å; P324-Y462 HydrophobicContact CG-CD1 3.56Å; P324-Y462 HydrophobicContact CG-CD2 3.73Å; P324-Y462 HydrophobicContact CG-CE1 3.89Å; P324-Y462 HydrophobicContact CG-CE2 4.07Å; P324-Y462 HydrophobicContact CG-CG 3.48Å; P324-Y462 VanDerWaalsContact CG-CG 3.48Å; K329-Y462 HydrophobicContact CB-CE1 4.37Å; K329-Y462 HydrophobicContact CD-CE2 4.32Å; K329-Y462 VanDerWaalsContact CD-OH 3.32Å; K329-Y462 WeakPolarHBondContact CD-OH 3.5Å; K329-Y462 HydrophobicContact CG-CE1 3.88Å; K329-Y462 HydrophobicContact CG-CE2 4.41Å; K329-Y462 WeakPolarHBondContact CG-OH 3.46Å; L332-Y462 HydrophobicContact CD1-CD1 3.93Å; L332-Y462 HydrophobicContact CD1-CE1 4.4Å; Y459-Y462 PolarHBondContact O-N 2.79Å; R460-Y462 VanDerWaalsContact C-N 3.31Å; R460-Y462 PolarHBondContact O-N 2.9Å; Y462-M464 PolarHBondContact O-N 2.94Å; Y462-A465 PolarHBondContact O-N 3.33Å; Y462-M466 HydrophobicContact CE1-CB 4.5Å; Y462-M466 WeakPolarHBondContact O-CB 3.32Å; Y462-M466 PolarHBondContact O-N 3.3Å |
| 463 | A | 93.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | M336 I451 T455 Y459 R460 M466 A467 | M336-A463 HydrophobicContact CE-CB 4.13Å; M336-A463 HydrophobicContact SD-CB 3.82Å; I451-A463 HydrophobicContact CG2-CB 4.09Å; T455-A463 HydrophobicContact CG2-CB 3.71Å; Y459-A463 WeakPolarHBondContact O-CB 3.48Å; Y459-A463 PolarHBondContact O-N 3.32Å; R460-A463 PolarHBondContact O-N 3.31Å; A463-M466 PolarHBondContact O-N 3.15Å; A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.3Å; A463-A467 PolarHBondContact O-N 3.16Å |
| 464 | M | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.8 | -68 | -64.1 | -70.5 | 0 | 0 | 111.5 | L178 I189 F448 I451 L452 R460 Y462 A467 T468 | L178-M464 HydrophobicContact CB-CE 4.41Å; L178-M464 HydrophobicContact CD2-CE 4.1Å; L178-M464 WeakPolarHBondContact O-CB 3.37Å; I189-M464 HydrophobicContact CD1-CE 3.65Å; I189-M464 HydrophobicContact CG1-CE 4.44Å; F448-M464 HydrophobicContact CB-CE 4.14Å; F448-M464 HydrophobicContact CD1-CE 3.65Å; F448-M464 HydrophobicContact CD1-SD 4.14Å; F448-M464 HydrophobicContact CG-CE 4.32Å; I451-M464 HydrophobicContact CB-SD 4.35Å; I451-M464 HydrophobicContact CG2-SD 3.86Å; L452-M464 HydrophobicContact CB-SD 4.16Å; L452-M464 HydrophobicContact CD1-CG 4.42Å; L452-M464 HydrophobicContact CD1-SD 4.37Å; R460-M464 VanDerWaalsContact O-CB 3.28Å; R460-M464 WeakPolarHBondContact O-CB 3.35Å; R460-M464 WeakPolarHBondContact O-CG 3.49Å; R460-M464 PolarHBondContact O-N 3.19Å; Y462-M464 PolarHBondContact O-N 2.94Å; M464-A467 PolarHBondContact O-N 3.37Å; M464-T468 VanDerWaalsContact O-CG2 3.23Å; M464-T468 WeakPolarHBondContact O-CG2 3.22Å; M464-T468 PolarHBondContact O-N 2.72Å |
| 465 | A | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I127 V175 E461 Y462 A467 T468 | I127-A465 HydrophobicContact CG2-CB 4Å; V175-A465 HydrophobicContact CG1-CB 3.94Å; E461-A465 WeakPolarHBondContact O-CB 3.35Å; E461-A465 PolarHBondContact O-N 2.55Å; E461-A465 VanDerWaalsContact O-N 3.11Å; Y462-A465 PolarHBondContact O-N 3.33Å; A465-A467 VanDerWaalsContact C-N 3.33Å; A465-A467 PolarHBondContact O-N 2.94Å; A465-T468 WeakPolarHBondContact O-CB 3.43Å; A465-T468 PolarHBondContact O-N 3.08Å; A465-T468 PolarHBondContact O-OG1 3.06Å |
| 466 | M | 93.9 | Very high | 92 | Very high | 56 Ų | 56 | 12 Ų | 12 | 28% | 0.276 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -62 | -40.5 | 178.9 | -172 | 68.8 | 170.4 | 0 | 0 | 112.1 | P124 L333 Y462 A463 T468 V469 | P124-M466 HydrophobicContact CB-SD 4.12Å; P124-M466 HydrophobicContact CG-CB 4.48Å; P124-M466 HydrophobicContact CG-SD 3.76Å; L333-M466 HydrophobicContact CD1-CE 4.35Å; Y462-M466 HydrophobicContact CE1-CB 4.5Å; Y462-M466 WeakPolarHBondContact O-CB 3.32Å; Y462-M466 PolarHBondContact O-N 3.3Å; A463-M466 PolarHBondContact O-N 3.15Å; M466-T468 PolarHBondContact O-N 2.99Å; M466-V469 WeakPolarHBondContact O-CG2 3.2Å; M466-V469 PolarHBondContact O-N 2.93Å |
| 467 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.6 | -26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M336 L340 F448 I451 A463 M464 A465 V469 S470 | M336-A467 HydrophobicContact CE-CB 4.04Å; L340-A467 HydrophobicContact CD2-CB 3.7Å; F448-A467 HydrophobicContact CD1-CB 4.35Å; F448-A467 HydrophobicContact CE1-CB 3.76Å; F448-A467 HydrophobicContact CZ-CB 4.44Å; I451-A467 HydrophobicContact CD1-CB 3.58Å; A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.3Å; A463-A467 PolarHBondContact O-N 3.16Å; M464-A467 PolarHBondContact O-N 3.37Å; A465-A467 VanDerWaalsContact C-N 3.33Å; A465-A467 PolarHBondContact O-N 2.94Å; A467-V469 PolarHBondContact O-N 2.84Å; A467-V469 VanDerWaalsContact O-N 3.16Å; A467-S470 WeakPolarHBondContact O-CB 3.48Å; A467-S470 PolarHBondContact O-N 3.36Å |
| 468 | T | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.4 | 177 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | K120 V175 L178 F448 M464 A465 M466 S470 | K120-T468 WeakPolarHBondContact CD-O 3.38Å; K120-T468 PolarHBondContact NZ-O 3Å; V175-T468 WeakPolarHBondContact CG2-OG1 3.22Å; L178-T468 HydrophobicContact CB-CG2 4.08Å; L178-T468 HydrophobicContact CD1-CG2 3.48Å; L178-T468 VanDerWaalsContact CD1-CG2 3.48Å; L178-T468 HydrophobicContact CG-CG2 4.41Å; F448-T468 HydrophobicContact CE1-CG2 4.28Å; F448-T468 HydrophobicContact CZ-CG2 4.43Å; M464-T468 VanDerWaalsContact O-CG2 3.23Å; M464-T468 WeakPolarHBondContact O-CG2 3.22Å; M464-T468 PolarHBondContact O-N 2.72Å; A465-T468 WeakPolarHBondContact O-CB 3.43Å; A465-T468 PolarHBondContact O-N 3.08Å; A465-T468 PolarHBondContact O-OG1 3.06Å; M466-T468 PolarHBondContact O-N 2.99Å; T468-S470 PolarHBondContact O-N 3.36Å |
| 469 | V | 95.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 7% | 0.067 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.4 | -31.9 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | K120 F121 M466 A467 D471 S472 I473 | K120-V469 VanDerWaalsContact C-CG2 3.49Å; K120-V469 HydrophobicContact CB-CG2 3.98Å; K120-V469 VanDerWaalsContact O-CG2 3.26Å; K120-V469 WeakPolarHBondContact O-CG2 3.45Å; F121-V469 HydrophobicContact CD2-CG1 4.1Å; M466-V469 WeakPolarHBondContact O-CG2 3.2Å; M466-V469 PolarHBondContact O-N 2.93Å; A467-V469 PolarHBondContact O-N 2.84Å; A467-V469 VanDerWaalsContact O-N 3.16Å; V469-D471 PolarHBondContact O-N 3.45Å; V469-S472 PolarHBondContact O-N 2.92Å; V469-I473 HydrophobicContact CG1-CD1 3.66Å; V469-I473 HydrophobicContact CG1-CG1 3.98Å; V469-I473 WeakPolarHBondContact O-CG1 3.25Å; V469-I473 PolarHBondContact O-N 3.48Å |
| 470 | S | 96.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 6% | 0.056 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | -170.1 | -70 | 0 | 0 | 0 | 0 | 114 | L340 V344 A467 T468 S472 G474 | L340-S470 WeakPolarHBondContact CB-OG 3.07Å; L340-S470 WeakPolarHBondContact CD2-OG 3.18Å; V344-S470 WeakPolarHBondContact CG2-O 2.96Å; A467-S470 WeakPolarHBondContact O-CB 3.48Å; A467-S470 PolarHBondContact O-N 3.36Å; T468-S470 PolarHBondContact O-N 3.36Å; S470-S472 VanDerWaalsContact C-N 3.3Å; S470-S472 PolarHBondContact O-N 2.89Å; S470-G474 PolarHBondContact O-N 3.46Å |
| 471 | D | 94.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.064 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.7 | 63.7 | 8.9 | 0 | 0 | 0 | 110.9 | K120 Y347 V469 I473 G474 V475 | K120-D471 IonicContact NZ-OD1 2.93Å; K120-D471 PolarHBondContact NZ-OD1 3.07Å; K120-D471 IonicContact NZ-OD2 3.66Å; Y347-D471 HydrophobicContact CD1-CB 4.07Å; Y347-D471 HydrophobicContact CD2-CB 4.21Å; Y347-D471 HydrophobicContact CE1-CB 4.05Å; Y347-D471 HydrophobicContact CE2-CB 4.22Å; Y347-D471 HydrophobicContact CG-CB 4.12Å; V469-D471 PolarHBondContact O-N 3.45Å; D471-I473 PolarHBondContact O-N 2.92Å; D471-G474 PolarHBondContact O-N 3.38Å; D471-G474 VanDerWaalsContact O-N 3.1Å; D471-V475 WeakPolarHBondContact O-CG2 3.33Å; D471-V475 PolarHBondContact O-N 2.74Å |
| 472 | S | 94.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.8 | -32.5 | -172.7 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | K120 V469 S470 A476 | K120-S472 WeakPolarHBondContact CD-OG 3.32Å; K120-S472 PolarHBondContact NZ-OG 2.86Å; V469-S472 PolarHBondContact O-N 2.92Å; S470-S472 VanDerWaalsContact C-N 3.3Å; S470-S472 PolarHBondContact O-N 2.89Å; S472-A476 WeakPolarHBondContact O-CB 3.39Å; S472-A476 PolarHBondContact O-N 3.17Å |
| 473 | I | 95.8 | Very high | 92.9 | Very high | 76 Ų | 76 | 21.1 Ų | 21.1 | 39% | 0.39 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61 | -47.5 | 169.1 | -69.2 | 171.1 | 0 | 0 | 0 | 110.1 | M117 V344 V469 D471 A476 G477 | M117-I473 HydrophobicContact SD-CG1 4.48Å; V344-I473 HydrophobicContact CG1-CG2 3.88Å; V344-I473 HydrophobicContact CG2-CB 4.26Å; V344-I473 HydrophobicContact CG2-CG2 4.27Å; V469-I473 HydrophobicContact CG1-CD1 3.66Å; V469-I473 HydrophobicContact CG1-CG1 3.98Å; V469-I473 WeakPolarHBondContact O-CG1 3.25Å; V469-I473 PolarHBondContact O-N 3.48Å; D471-I473 PolarHBondContact O-N 2.92Å; I473-A476 PolarHBondContact O-N 3.19Å; I473-G477 PolarHBondContact O-N 2.93Å |
| 474 | G | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V344 F348 S470 D471 G477 A478 | V344-G474 WeakPolarHBondContact O-CA 3.37Å; F348-G474 WeakPolarHBondContact CA-O 3.34Å; S470-G474 PolarHBondContact O-N 3.46Å; D471-G474 PolarHBondContact O-N 3.38Å; D471-G474 VanDerWaalsContact O-N 3.1Å; G474-G477 PolarHBondContact O-N 2.9Å; G474-A478 WeakPolarHBondContact O-CB 3.33Å; G474-A478 PolarHBondContact O-N 3.01Å |
| 475 | V | 93.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 179 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | I113 Y347 Y351 D471 A478 G479 | I113-V475 HydrophobicContact CB-CG1 4.49Å; I113-V475 HydrophobicContact CD1-CG1 4.18Å; I113-V475 HydrophobicContact CG1-CG1 3.71Å; I113-V475 HydrophobicContact CG2-CB 4.3Å; I113-V475 HydrophobicContact CG2-CG1 4.1Å; Y347-V475 HydrophobicContact CD1-CG2 3.65Å; Y347-V475 HydrophobicContact CE1-CG2 4.5Å; Y347-V475 HydrophobicContact CG-CG2 4.45Å; Y351-V475 HydrophobicContact CD1-CB 4.39Å; Y351-V475 HydrophobicContact CD1-CG1 3.54Å; Y351-V475 HydrophobicContact CD1-CG2 4.13Å; Y351-V475 HydrophobicContact CD2-CG2 3.66Å; Y351-V475 HydrophobicContact CE1-CG1 3.67Å; Y351-V475 HydrophobicContact CE1-CG2 4.03Å; Y351-V475 HydrophobicContact CE2-CG2 3.58Å; Y351-V475 HydrophobicContact CG-CB 4.35Å; Y351-V475 HydrophobicContact CG-CG1 3.95Å; Y351-V475 HydrophobicContact CG-CG2 3.91Å; D471-V475 WeakPolarHBondContact O-CG2 3.33Å; D471-V475 PolarHBondContact O-N 2.74Å; V475-A478 PolarHBondContact O-N 3.2Å; V475-G479 PolarHBondContact O-N 2.94Å |
| 476 | A | 92.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I113 L114 M117 S472 I473 A478 G479 F480 | I113-A476 HydrophobicContact CG2-CB 4.07Å; L114-A476 HydrophobicContact CD2-CB 4.15Å; M117-A476 HydrophobicContact CE-CB 4.38Å; M117-A476 HydrophobicContact SD-CB 3.53Å; M117-A476 VanDerWaalsContact SD-CB 3.53Å; S472-A476 WeakPolarHBondContact O-CB 3.39Å; S472-A476 PolarHBondContact O-N 3.17Å; I473-A476 PolarHBondContact O-N 3.19Å; A476-A478 VanDerWaalsContact C-N 3.33Å; A476-A478 PolarHBondContact O-N 3.41Å; A476-G479 PolarHBondContact O-N 2.86Å; A476-F480 WeakPolarHBondContact O-CD2 3.29Å; A476-F480 PolarHBondContact O-N 3.18Å |
| 477 | G | 93 | Very high | 91.4 | Very high | 27 Ų | 27 | 30 Ų | 30 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I473 G474 F480 L481 | I473-G477 PolarHBondContact O-N 2.93Å; G474-G477 PolarHBondContact O-N 2.9Å; G477-F480 PolarHBondContact O-N 3.06Å; G477-L481 PolarHBondContact O-N 2.84Å; G477-L481 VanDerWaalsContact O-N 3.12Å |
| 478 | A | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F348 L352 G474 V475 A476 F480 L481 S482 | F348-A478 HydrophobicContact CD2-CB 4.14Å; F348-A478 WeakPolarHBondContact O-CB 3.34Å; L352-A478 HydrophobicContact CB-CB 4.29Å; G474-A478 WeakPolarHBondContact O-CB 3.33Å; G474-A478 PolarHBondContact O-N 3.01Å; V475-A478 PolarHBondContact O-N 3.2Å; A476-A478 VanDerWaalsContact C-N 3.33Å; A476-A478 PolarHBondContact O-N 3.41Å; A478-F480 PolarHBondContact O-N 3.37Å; A478-L481 PolarHBondContact O-N 3.24Å; A478-S482 WeakPolarHBondContact O-CB 3.46Å; A478-S482 PolarHBondContact O-N 2.79Å; A478-S482 PolarHBondContact O-OG 3.08Å |
| 479 | G | 88.4 | Confident | 90.6 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q355 V475 A476 S482 | Q355-G479 VanDerWaalsContact OE1-CA 3.22Å; V475-G479 PolarHBondContact O-N 2.94Å; A476-G479 PolarHBondContact O-N 2.86Å; G479-S482 PolarHBondContact O-OG 3.06Å |
| 480 | F | 89.1 | Confident | 90.1 | Very high | 101 Ų | 101 | 36 Ų | 36 | 44% | 0.443 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.7 | -46.5 | 172.7 | -78.5 | -68 | 0 | 0 | 0 | 112 | L110 L114 A476 G477 A478 Y484 | L110-F480 HydrophobicContact CD1-CD1 3.92Å; L110-F480 HydrophobicContact CD1-CE1 3.63Å; L110-F480 HydrophobicContact CD1-CZ 4.23Å; L110-F480 HydrophobicContact CD2-CD1 4.02Å; L110-F480 HydrophobicContact CD2-CD2 4.01Å; L110-F480 HydrophobicContact CD2-CE1 3.88Å; L110-F480 HydrophobicContact CD2-CE2 3.87Å; L110-F480 HydrophobicContact CD2-CG 4.08Å; L110-F480 HydrophobicContact CD2-CZ 3.8Å; L110-F480 HydrophobicContact CG-CE1 4.42Å; L114-F480 HydrophobicContact CD1-CZ 4.1Å; L114-F480 HydrophobicContact CD2-CE2 4.04Å; L114-F480 HydrophobicContact CD2-CZ 4.33Å; A476-F480 WeakPolarHBondContact O-CD2 3.29Å; A476-F480 PolarHBondContact O-N 3.18Å; G477-F480 PolarHBondContact O-N 3.06Å; A478-F480 PolarHBondContact O-N 3.37Å; F480-Y484 VanDerWaalsContact O-CD2 3.26Å; F480-Y484 WeakPolarHBondContact O-CD2 3.22Å |
| 481 | L | 90.3 | Very high | 89.6 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.2 | -31.6 | -176.4 | -175.5 | 60.4 | 0 | 0 | 0 | 112.6 | F348 L352 G477 A478 V483 Y484 L485 | F348-L481 HydrophobicContact CE2-CD2 4.33Å; F348-L481 HydrophobicContact CZ-CD2 3.66Å; L352-L481 HydrophobicContact CD1-CB 4.13Å; L352-L481 HydrophobicContact CD1-CD2 4.2Å; L352-L481 HydrophobicContact CD1-CG 4.1Å; L352-L481 HydrophobicContact CD2-CD2 3.95Å; G477-L481 PolarHBondContact O-N 2.84Å; G477-L481 VanDerWaalsContact O-N 3.12Å; A478-L481 PolarHBondContact O-N 3.24Å; L481-V483 VanDerWaalsContact C-N 3.26Å; L481-V483 PolarHBondContact O-N 2.93Å; L481-Y484 PolarHBondContact O-N 2.85Å; L481-L485 WeakPolarHBondContact O-CB 3.46Å; L481-L485 PolarHBondContact O-N 3.22Å |
| 482 | S | 88.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -36.3 | -177.6 | 63 | 0 | 0 | 0 | 0 | 112 | Q355 A478 G479 L485 H486 | Q355-S482 PolarHBondContact OE1-OG 3.46Å; A478-S482 WeakPolarHBondContact O-CB 3.46Å; A478-S482 PolarHBondContact O-N 2.79Å; A478-S482 PolarHBondContact O-OG 3.08Å; G479-S482 PolarHBondContact O-OG 3.06Å; S482-L485 PolarHBondContact O-N 3.04Å; S482-H486 WeakPolarHBondContact O-CB 3.23Å; S482-H486 PolarHBondContact O-N 3.45Å |
| 483 | V | 84.3 | Confident | 88.6 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L481 N487 | L481-V483 VanDerWaalsContact C-N 3.26Å; L481-V483 PolarHBondContact O-N 2.93Å; V483-N487 WeakPolarHBondContact O-CB 3.46Å; V483-N487 PolarHBondContact O-N 2.6Å; V483-N487 PolarHBondContact O-ND2 2.84Å |
| 484 | Y | 87.4 | Confident | 87.3 | Confident | 172 Ų | 172 | 50.3 Ų | 50.3 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -69.7 | -42.9 | -179.8 | -63.2 | -79.9 | 0 | 0 | 0 | 112.3 | F480 L481 N487 W488 | F480-Y484 VanDerWaalsContact O-CD2 3.26Å; F480-Y484 WeakPolarHBondContact O-CD2 3.22Å; L481-Y484 PolarHBondContact O-N 2.85Å; Y484-N487 PolarHBondContact O-N 3.29Å; Y484-W488 VanDerWaalsContact O-CB 3.31Å; Y484-W488 WeakPolarHBondContact O-CB 3.34Å; Y484-W488 PolarHBondContact O-N 2.96Å |
| 485 | L | 88.4 | Confident | 86.9 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | -177.7 | -179.4 | 59.7 | 0 | 0 | 0 | 111.4 | L352 S356 F411 L481 S482 W488 L489 | L352-L485 HydrophobicContact CD1-CD2 3.92Å; L352-L485 HydrophobicContact CD2-CD2 4.11Å; L352-L485 HydrophobicContact CG-CD2 3.96Å; S356-L485 WeakPolarHBondContact OG-CD2 3.15Å; F411-L485 HydrophobicContact CE2-CD2 4Å; F411-L485 HydrophobicContact CZ-CD2 3.86Å; L481-L485 WeakPolarHBondContact O-CB 3.46Å; L481-L485 PolarHBondContact O-N 3.22Å; S482-L485 PolarHBondContact O-N 3.04Å; L485-W488 HydrophobicContact CD1-CE3 3.94Å; L485-W488 HydrophobicContact CD1-CZ3 4.34Å; L485-W488 PolarHBondContact O-N 2.96Å; L485-L489 HydrophobicContact CD1-CD1 4.25Å; L485-L489 HydrophobicContact CD1-CG 4.33Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CB 3.5Å; L485-L489 VanDerWaalsContact O-CG 3.31Å; L485-L489 WeakPolarHBondContact O-CG 3.15Å; L485-L489 PolarHBondContact O-N 2.81Å |
| 486 | H | 84.5 | Confident | 86.5 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.1 | -176.1 | 90.5 | 0 | 0 | 0 | 111.1 | S356 E359 S482 W488 L489 C490 | S356-H486 PolarHBondContact O-ND1 3.08Å; E359-H486 IonicContact OE2-CE1 2.75Å; S482-H486 WeakPolarHBondContact O-CB 3.23Å; S482-H486 PolarHBondContact O-N 3.45Å; H486-W488 VanDerWaalsContact C-N 3.34Å; H486-W488 PolarHBondContact O-N 3Å; H486-L489 PolarHBondContact O-N 3.47Å; H486-C490 WeakPolarHBondContact O-CB 3.12Å; H486-C490 PolarHBondContact O-N 2.8Å |
| 487 | N | 84 | Confident | 86.2 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.8 | -69.5 | -9.6 | 0 | 0 | 0 | 112 | V483 Y484 C490 N491 | V483-N487 WeakPolarHBondContact O-CB 3.46Å; V483-N487 PolarHBondContact O-N 2.6Å; V483-N487 PolarHBondContact O-ND2 2.84Å; Y484-N487 PolarHBondContact O-N 3.29Å; N487-C490 PolarHBondContact O-N 3.1Å; N487-N491 VanDerWaalsContact O-CG 3.27Å; N487-N491 PolarHBondContact O-N 2.79Å; N487-N491 VanDerWaalsContact O-N 3.09Å; N487-N491 PolarHBondContact O-ND2 2.95Å |
| 488 | W | 87.2 | Confident | 85.8 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | 176.8 | 78.4 | 0 | 0 | 0 | 112.4 | Y484 L485 H486 N491 I492 | Y484-W488 VanDerWaalsContact O-CB 3.31Å; Y484-W488 WeakPolarHBondContact O-CB 3.34Å; Y484-W488 PolarHBondContact O-N 2.96Å; L485-W488 HydrophobicContact CD1-CE3 3.94Å; L485-W488 HydrophobicContact CD1-CZ3 4.34Å; L485-W488 PolarHBondContact O-N 2.96Å; H486-W488 VanDerWaalsContact C-N 3.34Å; H486-W488 PolarHBondContact O-N 3Å; W488-N491 PolarHBondContact O-N 3.48Å; W488-I492 HydrophobicContact CD2-CD1 3.82Å; W488-I492 HydrophobicContact CE3-CD1 4.31Å; W488-I492 HydrophobicContact CG-CD1 4.45Å; W488-I492 HydrophobicContact CH2-CD1 3.74Å; W488-I492 HydrophobicContact CZ2-CD1 3.16Å; W488-I492 HydrophobicContact CZ3-CD1 4.28Å; W488-I492 PolarHBondContact O-N 2.78Å |
| 489 | L | 87.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.6 | -72.9 | 168.3 | 0 | 0 | 0 | 111.6 | L357 L360 L415 V418 I419 L485 H486 N491 I492 L493 | L357-L489 HydrophobicContact CD2-CD1 3.42Å; L357-L489 VanDerWaalsContact CD2-CD1 3.42Å; L360-L489 HydrophobicContact CD1-CB 3.52Å; L360-L489 HydrophobicContact CD1-CD1 3.74Å; L360-L489 HydrophobicContact CD1-CG 4.26Å; L415-L489 HydrophobicContact CD1-CD1 4.04Å; L415-L489 HydrophobicContact CD1-CD2 3.96Å; V418-L489 HydrophobicContact CG1-CD1 4.34Å; V418-L489 HydrophobicContact CG1-CD2 4.27Å; I419-L489 HydrophobicContact CD1-CD2 4.23Å; I419-L489 HydrophobicContact CG1-CD2 3.91Å; L485-L489 HydrophobicContact CD1-CD1 4.25Å; L485-L489 HydrophobicContact CD1-CG 4.33Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CB 3.5Å; L485-L489 VanDerWaalsContact O-CG 3.31Å; L485-L489 WeakPolarHBondContact O-CG 3.15Å; L485-L489 PolarHBondContact O-N 2.81Å; H486-L489 PolarHBondContact O-N 3.47Å; L489-N491 VanDerWaalsContact C-N 3.26Å; L489-N491 PolarHBondContact O-N 2.76Å; L489-I492 PolarHBondContact O-N 2.88Å; L489-I492 VanDerWaalsContact O-N 3.11Å; L489-L493 HydrophobicContact CB-CD1 4.42Å; L489-L493 WeakPolarHBondContact O-CB 3.05Å; L489-L493 VanDerWaalsContact O-CG 3.23Å; L489-L493 WeakPolarHBondContact O-CG 3.29Å; L489-L493 PolarHBondContact O-N 3.44Å |
| 490 | C | 84.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -51.8 | -47 | 173.8 | -83.7 | 0 | 0 | 0 | 0 | 111.1 | C100 H486 N487 I492 L493 T494 | C100-C490 HydrophobicContact CB-CB 4.12Å; C100-C490 WeakPolarHBondContact CB-SG 3.32Å; C100-C490 WeakPolarHBondContact SG-CB 3.41Å; C100-C490 CovalentContact SG-SG 2.06Å; C100-C490 PolarHBondContact SG-SG 2.95Å; H486-C490 WeakPolarHBondContact O-CB 3.12Å; H486-C490 PolarHBondContact O-N 2.8Å; N487-C490 PolarHBondContact O-N 3.1Å; C490-I492 VanDerWaalsContact C-N 3.3Å; C490-I492 PolarHBondContact O-N 3.28Å; C490-L493 PolarHBondContact O-N 3.38Å; C490-T494 WeakPolarHBondContact O-CG2 3.42Å; C490-T494 PolarHBondContact O-N 3.15Å; C490-T494 VanDerWaalsContact O-N 3.13Å; C490-T494 PolarHBondContact O-OG1 3.07Å |
| 491 | N | 85.2 | Confident | 84.9 | Confident | 116 Ų | 116 | 64.9 Ų | 64.9 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67 | -23.8 | -179.1 | -70.5 | -24.3 | 0 | 0 | 0 | 115 | N487 W488 L489 | N487-N491 VanDerWaalsContact O-CG 3.27Å; N487-N491 PolarHBondContact O-N 2.79Å; N487-N491 VanDerWaalsContact O-N 3.09Å; N487-N491 PolarHBondContact O-ND2 2.95Å; W488-N491 PolarHBondContact O-N 3.48Å; L489-N491 VanDerWaalsContact C-N 3.26Å; L489-N491 PolarHBondContact O-N 2.76Å |
| 492 | I | 86.2 | Confident | 84.5 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 45% | 0.451 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -92.7 | -28.7 | -179.9 | -69.7 | 175.3 | 0 | 0 | 0 | 111.6 | W488 L489 C490 | W488-I492 HydrophobicContact CD2-CD1 3.82Å; W488-I492 HydrophobicContact CE3-CD1 4.31Å; W488-I492 HydrophobicContact CG-CD1 4.45Å; W488-I492 HydrophobicContact CH2-CD1 3.74Å; W488-I492 HydrophobicContact CZ2-CD1 3.16Å; W488-I492 HydrophobicContact CZ3-CD1 4.28Å; W488-I492 PolarHBondContact O-N 2.78Å; L489-I492 PolarHBondContact O-N 2.88Å; L489-I492 VanDerWaalsContact O-N 3.11Å; C490-I492 VanDerWaalsContact C-N 3.3Å; C490-I492 PolarHBondContact O-N 3.28Å |
| 493 | L | 81.9 | Confident | 84.1 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -83.7 | -23.3 | -179.3 | -65.4 | 171.2 | 0 | 0 | 0 | 112.8 | L360 V418 L489 C490 | L360-L493 HydrophobicContact CD1-CD1 4.29Å; L360-L493 HydrophobicContact CD2-CD1 4.47Å; V418-L493 HydrophobicContact CG1-CD1 3.74Å; L489-L493 HydrophobicContact CB-CD1 4.42Å; L489-L493 WeakPolarHBondContact O-CB 3.05Å; L489-L493 VanDerWaalsContact O-CG 3.23Å; L489-L493 WeakPolarHBondContact O-CG 3.29Å; L489-L493 PolarHBondContact O-N 3.44Å; C490-L493 PolarHBondContact O-N 3.38Å |
| 494 | T | 68.9 | Low | 84.1 | Confident | 129 Ų | 129 | 71.2 Ų | 71.2 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | trans | -83.3 | 0 | 166.5 | 56.9 | 0 | 0 | 0 | 0 | 111 | I98 C490 | I98-T494 HydrophobicContact CD1-CG2 4.05Å; C490-T494 WeakPolarHBondContact O-CG2 3.42Å; C490-T494 PolarHBondContact O-N 3.15Å; C490-T494 VanDerWaalsContact O-N 3.13Å; C490-T494 PolarHBondContact O-OG1 3.07Å |
Retrieved 494 of 494 residues in 181 ms
(Link to these results)