| 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 | 36.3 | Very low | 48.8 | Very low | 237 Ų | 237 | 155.6 Ų | 155.6 | 100% | 1.167 | 78% | 0.78 | S | S | * | * | 0 | 116 | 0 | -150.5 | 173.8 | -175.2 | 0 | 0 | 107.8 | |||||
| 2 | G | 35.3 | Very low | 51.6 | Low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -56.8 | 148.1 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R4 | G2-R4 PolarHBondContact O-N 3.27Š| ||
| 3 | I | 45.3 | Very low | 53.7 | Low | 178 Ų | 178 | 148.1 Ų | 148.1 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -61.3 | 98.6 | 165 | -63.2 | 169.2 | 0 | 0 | 0 | 106.3 | K5 | I3-K5 PolarHBondContact O-N 2.97Š| ||
| 4 | R | 41.4 | Very low | 55.5 | Low | 209 Ų | 209 | 147.8 Ų | 147.8 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 116.5 | 171.7 | -159.2 | 174.5 | -175.3 | -177.3 | -0.1 | 106.5 | G2 K6 | G2-R4 PolarHBondContact O-N 3.27Å; R4-K6 PolarHBondContact O-N 3.23Å | ||
| 5 | K | 38.7 | Very low | 57.6 | Low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -39 | 123.5 | 164.6 | -86.7 | 175.8 | 170.4 | 176.4 | 0 | 108 | I3 T7 | I3-K5 PolarHBondContact O-N 2.97Å; K5-T7 VanDerWaalsContact C-N 3.25Å; K5-T7 PolarHBondContact O-N 3.39Å | ||
| 6 | K | 42.2 | Very low | 59.5 | Low | 207 Ų | 207 | 137.9 Ų | 137.9 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | -57.9 | 95.4 | 162.9 | -92.6 | -176 | 170.9 | -174.9 | 0 | 106.6 | R4 N8 | R4-K6 PolarHBondContact O-N 3.23Å; K6-N8 PolarHBondContact O-N 2.95Å | ||
| 7 | T | 45.2 | Very low | 61.1 | Low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | trans | -70.3 | 112.6 | 163.7 | 35.4 | 0 | 0 | 0 | 0 | 106.3 | K5 K9 | K5-T7 VanDerWaalsContact C-N 3.25Å; K5-T7 PolarHBondContact O-N 3.39Å; T7-K9 PolarHBondContact O-N 2.68Å | ||
| 8 | N | 48.4 | Very low | 62.6 | Low | 167 Ų | 167 | 130.1 Ų | 130.1 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | trans | -67.8 | 33.1 | -177.7 | -130.9 | 15.3 | 0 | 0 | 0 | 113.1 | K6 | K6-N8 PolarHBondContact O-N 2.95Š| ||
| 9 | K | 58.8 | Low | 64 | Low | 182 Ų | 182 | 125.6 Ų | 125.6 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | trans | -109.2 | 118.4 | 178.9 | -68.2 | -171.2 | 178.2 | -173.4 | 0 | 107.4 | T7 | T7-K9 PolarHBondContact O-N 2.68Š| ||
| 10 | N | 68.1 | Low | 65.2 | Low | 153 Ų | 153 | 120.2 Ų | 120.2 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 131.7 | 168.9 | -70.7 | -14.9 | 0 | 0 | 0 | 108.1 | ||
| 11 | P | 77.2 | Confident | 66.2 | Low | 15 Ų | 15 | 120.2 Ų | 120.2 | 10% | 0.097 | 62% | 0.615 | C | S | . | * | P | Polyproline II helix | trans | -60.3 | 150.3 | 178.9 | 27 | -34.5 | 0 | 0 | 0 | 109.4 | V13 E17 F18 | P11-V13 PolarHBondContact O-N 3.41Å; P11-E17 HydrophobicContact CB-CB 3.86Å; P11-E17 HydrophobicContact CG-CB 4.38Å; P11-F18 HydrophobicContact CB-CB 4.27Å; P11-F18 HydrophobicContact CG-CB 3.91Å; P11-F18 HydrophobicContact CG-CD2 4.39Å |
| 12 | P | 82.4 | Confident | 68.8 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.8 | 176.6 | -23.7 | 32.2 | 0 | 0 | 0 | 110.8 | L14 S15 F18 | P12-L14 PolarHBondContact O-N 3.24Å; P12-S15 WeakPolarHBondContact O-CB 3.48Å; P12-S15 PolarHBondContact O-N 3.17Å; P12-S15 PolarHBondContact O-OG 3.23Å; P12-F18 WeakPolarHBondContact O-CB 3.15Å |
| 13 | V | 78.3 | Confident | 71.6 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.5 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | P11 S15 | P11-V13 PolarHBondContact O-N 3.41Å; V13-S15 PolarHBondContact O-N 2.83Å |
| 14 | L | 80 | Confident | 73.8 | Confident | 144 Ų | 144 | 101.9 Ų | 101.9 | 75% | 0.754 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 5.7 | -173.1 | -55.5 | 176.1 | 0 | 0 | 0 | 116.9 | P12 | P12-L14 PolarHBondContact O-N 3.24Š|
| 15 | S | 86.8 | Confident | 76.3 | Confident | 32 Ų | 32 | 96.9 Ų | 96.9 | 22% | 0.224 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -65.9 | 158.7 | 169.9 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | P12 V13 E17 F18 V19 | P12-S15 WeakPolarHBondContact O-CB 3.48Å; P12-S15 PolarHBondContact O-N 3.17Å; P12-S15 PolarHBondContact O-OG 3.23Å; V13-S15 PolarHBondContact O-N 2.83Å; S15-E17 PolarHBondContact O-N 3.2Å; S15-F18 WeakPolarHBondContact O-CB 3.09Å; S15-F18 PolarHBondContact O-N 3.04Å; S15-F18 WeakPolarHBondContact OG-CB 3.34Å; S15-F18 PolarHBondContact OG-N 2.83Å; S15-V19 PolarHBondContact O-N 2.98Å |
| 16 | H | 86.9 | Confident | 78.9 | Confident | 105 Ų | 105 | 91.2 Ų | 91.2 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -52.1 | -38.4 | 174.2 | 175.5 | -81.2 | 0 | 0 | 0 | 112.7 | I20 Y184 | H16-I20 WeakPolarHBondContact CE1-CD1 3.26Å; H16-I20 WeakPolarHBondContact O-CG1 3.39Å; H16-I20 PolarHBondContact O-N 2.85Å; H16-Y184 AromaticContact CD2-CE2 3.94Å; H16-Y184 AromaticContact CD2-CZ 3.77Å; H16-Y184 PolarHBondContact CD2-OH 3.2Å; H16-Y184 AromaticContact NE2-CE2 3.39Å; H16-Y184 WeakPolarHBondContact NE2-CE2 3.32Å; H16-Y184 AromaticContact NE2-CZ 3.57Å; H16-Y184 PolarHBondContact NE2-OH 2.9Å |
| 17 | E | 87.1 | Confident | 81.5 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.7 | -33.2 | 177.4 | -66.1 | -166.2 | 156.6 | 0 | 0 | 112.9 | P11 S15 Q21 | P11-E17 HydrophobicContact CB-CB 3.86Å; P11-E17 HydrophobicContact CG-CB 4.38Å; S15-E17 PolarHBondContact O-N 3.2Å; E17-Q21 WeakPolarHBondContact O-CB 3.49Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.5Å; E17-Q21 PolarHBondContact O-N 3.18Å; E17-Q21 VanDerWaalsContact O-N 3.09Å |
| 18 | F | 88.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 175.2 | 177.7 | -91.5 | 0 | 0 | 0 | 111.8 | P11 P12 S15 I20 Q21 N22 I26 | P11-F18 HydrophobicContact CB-CB 4.27Å; P11-F18 HydrophobicContact CG-CB 3.91Å; P11-F18 HydrophobicContact CG-CD2 4.39Å; P12-F18 WeakPolarHBondContact O-CB 3.15Å; S15-F18 WeakPolarHBondContact O-CB 3.09Å; S15-F18 PolarHBondContact O-N 3.04Å; S15-F18 WeakPolarHBondContact OG-CB 3.34Å; S15-F18 PolarHBondContact OG-N 2.83Å; F18-I20 VanDerWaalsContact C-N 3.33Å; F18-I20 PolarHBondContact O-N 3.06Å; F18-Q21 PolarHBondContact O-N 3.48Å; F18-N22 WeakPolarHBondContact CD2-ND2 3.49Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.44Å; F18-N22 PolarHBondContact O-N 3.46Å; F18-N22 PolarHBondContact O-ND2 2.95Å; F18-I26 HydrophobicContact CE1-CD1 4.42Å |
| 19 | V | 88.4 | Confident | 86.1 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 111 | S15 Q21 H23 I26 | S15-V19 PolarHBondContact O-N 2.98Å; V19-Q21 PolarHBondContact O-N 2.87Å; V19-H23 WeakPolarHBondContact O-CA 3.49Å; V19-H23 WeakPolarHBondContact O-CB 3.46Å; V19-H23 PolarHBondContact O-N 3.15Å; V19-I26 HydrophobicContact CG1-CD1 4.43Å |
| 20 | I | 88.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.087 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 179.3 | -70.2 | 174.5 | 0 | 0 | 0 | 111.7 | H16 F18 H23 Y184 F185 K187 | H16-I20 WeakPolarHBondContact CE1-CD1 3.26Å; H16-I20 WeakPolarHBondContact O-CG1 3.39Å; H16-I20 PolarHBondContact O-N 2.85Å; F18-I20 VanDerWaalsContact C-N 3.33Å; F18-I20 PolarHBondContact O-N 3.06Å; I20-H23 PolarHBondContact O-ND1 3.34Å; I20-Y184 HydrophobicContact CD1-CE1 4.34Å; I20-Y184 HydrophobicContact CG1-CE1 3.96Å; I20-F185 WeakPolarHBondContact CG2-O 3.42Å; I20-K187 HydrophobicContact CD1-CD 4.49Å; I20-K187 HydrophobicContact CD1-CG 4.15Å |
| 21 | Q | 86.8 | Confident | 89.2 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.9 | -33.9 | -178.4 | -74 | 177 | 9.2 | 0 | 0 | 113 | E17 F18 V19 | E17-Q21 WeakPolarHBondContact O-CB 3.49Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.5Å; E17-Q21 PolarHBondContact O-N 3.18Å; E17-Q21 VanDerWaalsContact O-N 3.09Å; F18-Q21 PolarHBondContact O-N 3.48Å; V19-Q21 PolarHBondContact O-N 2.87Å |
| 22 | N | 90.9 | Very high | 90.1 | Very high | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 18.8 | -174.2 | -55.1 | -87.3 | 0 | 0 | 0 | 112.5 | F18 A24 D25 I26 | F18-N22 WeakPolarHBondContact CD2-ND2 3.49Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.44Å; F18-N22 PolarHBondContact O-N 3.46Å; F18-N22 PolarHBondContact O-ND2 2.95Å; N22-A24 VanDerWaalsContact C-N 3.26Å; N22-A24 PolarHBondContact O-N 3.46Å; N22-D25 PolarHBondContact O-N 2.73Å; N22-D25 VanDerWaalsContact O-N 3.15Å; N22-I26 HydrophobicContact CB-CD1 4.28Å; N22-I26 HydrophobicContact CB-CG1 4.48Å; N22-I26 VanDerWaalsContact O-CG1 3.3Å; N22-I26 WeakPolarHBondContact O-CG1 3.48Å; N22-I26 PolarHBondContact O-N 3.03Å |
| 23 | H | 93.1 | Very high | 90.7 | Very high | 31 Ų | 31 | 65.6 Ų | 65.6 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.3 | -38.9 | -174 | 67.2 | -79.7 | 0 | 0 | 0 | 112.3 | V19 I20 I26 V27 F185 | V19-H23 WeakPolarHBondContact O-CA 3.49Å; V19-H23 WeakPolarHBondContact O-CB 3.46Å; V19-H23 PolarHBondContact O-N 3.15Å; I20-H23 PolarHBondContact O-ND1 3.34Å; H23-I26 PolarHBondContact O-N 3.44Å; H23-V27 VanDerWaalsContact O-CB 3.3Å; H23-V27 WeakPolarHBondContact O-CB 3.22Å; H23-V27 WeakPolarHBondContact O-CG2 3.34Å; H23-V27 PolarHBondContact O-N 2.88Å; H23-F185 HydrophobicContact CB-CD1 3.83Å; H23-F185 HydrophobicContact CB-CD2 4.15Å; H23-F185 HydrophobicContact CB-CE1 3.83Å; H23-F185 HydrophobicContact CB-CE2 4.13Å; H23-F185 HydrophobicContact CB-CG 4.02Å; H23-F185 HydrophobicContact CB-CZ 3.99Å; H23-F185 AromaticContact CD2-CD2 3.66Å; H23-F185 AromaticContact CG-CD2 3.95Å; H23-F185 AromaticContact CG-CG 3.88Å |
| 24 | A | 92.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | N22 S28 A95 | N22-A24 VanDerWaalsContact C-N 3.26Å; N22-A24 PolarHBondContact O-N 3.46Å; A24-S28 VanDerWaalsContact O-CB 3.27Å; A24-S28 WeakPolarHBondContact O-CB 3.39Å; A24-S28 PolarHBondContact O-N 2.96Å; A24-S28 PolarHBondContact O-OG 3.46Å; A24-A95 HydrophobicContact CB-CB 3.46Å; A24-A95 VanDerWaalsContact CB-CB 3.46Å |
| 25 | D | 93.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.6 | -43.8 | 178.2 | -62 | -39 | 0 | 0 | 0 | 111.4 | N22 V27 S28 C29 | N22-D25 PolarHBondContact O-N 2.73Å; N22-D25 VanDerWaalsContact O-N 3.15Å; D25-V27 PolarHBondContact O-N 3.15Å; D25-S28 WeakPolarHBondContact O-CB 3.41Å; D25-S28 PolarHBondContact O-N 3.24Å; D25-C29 PolarHBondContact O-N 3.31Å; D25-C29 PolarHBondContact O-SG 2.98Å |
| 26 | I | 94 | Very high | 92.5 | Very high | 64 Ų | 64 | 61 Ų | 61 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 177.3 | -66.8 | 165.6 | 0 | 0 | 0 | 110.2 | F18 V19 N22 H23 S28 C29 V30 | F18-I26 HydrophobicContact CE1-CD1 4.42Å; V19-I26 HydrophobicContact CG1-CD1 4.43Å; N22-I26 HydrophobicContact CB-CD1 4.28Å; N22-I26 HydrophobicContact CB-CG1 4.48Å; N22-I26 VanDerWaalsContact O-CG1 3.3Å; N22-I26 WeakPolarHBondContact O-CG1 3.48Å; N22-I26 PolarHBondContact O-N 3.03Å; H23-I26 PolarHBondContact O-N 3.44Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.47Å; I26-C29 WeakPolarHBondContact O-CB 3.3Å; I26-C29 PolarHBondContact O-N 3.38Å; I26-V30 WeakPolarHBondContact O-CG2 3.27Å; I26-V30 PolarHBondContact O-N 3.04Å |
| 27 | V | 95.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67 | -35.4 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | H23 D25 V30 A31 L88 I91 I92 | H23-V27 VanDerWaalsContact O-CB 3.3Å; H23-V27 WeakPolarHBondContact O-CB 3.22Å; H23-V27 WeakPolarHBondContact O-CG2 3.34Å; H23-V27 PolarHBondContact O-N 2.88Å; D25-V27 PolarHBondContact O-N 3.15Å; V27-V30 PolarHBondContact O-N 3.17Å; V27-A31 PolarHBondContact O-N 3.35Å; V27-L88 HydrophobicContact CG1-CB 3.82Å; V27-L88 HydrophobicContact CG1-CD2 3.95Å; V27-L88 HydrophobicContact CG1-CG 4.42Å; V27-I91 HydrophobicContact CB-CG2 4.29Å; V27-I91 HydrophobicContact CG1-CB 4.13Å; V27-I91 HydrophobicContact CG1-CD1 4.31Å; V27-I91 HydrophobicContact CG1-CG2 4.19Å; V27-I91 HydrophobicContact CG2-CD1 4.36Å; V27-I91 HydrophobicContact CG2-CG2 4.12Å; V27-I92 HydrophobicContact CG1-CD1 4.36Å; V27-I92 HydrophobicContact CG1-CG1 4.05Å |
| 28 | S | 94.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 56 Ų | 56 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 172 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | A24 D25 I26 V30 A31 M32 I92 | A24-S28 VanDerWaalsContact O-CB 3.27Å; A24-S28 WeakPolarHBondContact O-CB 3.39Å; A24-S28 PolarHBondContact O-N 2.96Å; A24-S28 PolarHBondContact O-OG 3.46Å; D25-S28 WeakPolarHBondContact O-CB 3.41Å; D25-S28 PolarHBondContact O-N 3.24Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.47Å; S28-V30 VanDerWaalsContact C-N 3.32Å; S28-V30 PolarHBondContact O-N 3.5Å; S28-A31 PolarHBondContact O-N 3.43Å; S28-M32 WeakPolarHBondContact O-CB 3.41Å; S28-M32 VanDerWaalsContact O-CG 3.26Å; S28-M32 WeakPolarHBondContact O-CG 3.46Å; S28-M32 PolarHBondContact O-N 3.09Å; S28-I92 WeakPolarHBondContact OG-CG1 3.5Å |
| 29 | C | 96 | Very high | 93.4 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 173.3 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | D25 I26 M32 V33 | D25-C29 PolarHBondContact O-N 3.31Å; D25-C29 PolarHBondContact O-SG 2.98Å; I26-C29 WeakPolarHBondContact O-CB 3.3Å; I26-C29 PolarHBondContact O-N 3.38Å; C29-M32 WeakPolarHBondContact O-CB 3.38Å; C29-M32 PolarHBondContact O-N 3.5Å; C29-V33 PolarHBondContact O-N 3.36Å |
| 30 | V | 96 | Very high | 93.6 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | I26 V27 S28 M32 V33 F34 L88 | I26-V30 WeakPolarHBondContact O-CG2 3.27Å; I26-V30 PolarHBondContact O-N 3.04Å; V27-V30 PolarHBondContact O-N 3.17Å; S28-V30 VanDerWaalsContact C-N 3.32Å; S28-V30 PolarHBondContact O-N 3.5Å; V30-M32 VanDerWaalsContact C-N 3.3Å; V30-M32 PolarHBondContact O-N 3.03Å; V30-V33 WeakPolarHBondContact O-CB 3.44Å; V30-V33 PolarHBondContact O-N 3.03Å; V30-F34 HydrophobicContact CG1-CE2 4.19Å; V30-F34 WeakPolarHBondContact O-CD2 3.36Å; V30-L88 HydrophobicContact CG1-CD1 3.8Å |
| 31 | A | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V27 S28 V33 F34 L35 F85 I92 | V27-A31 PolarHBondContact O-N 3.35Å; S28-A31 PolarHBondContact O-N 3.43Å; A31-V33 VanDerWaalsContact C-N 3.28Å; A31-V33 PolarHBondContact O-N 3.35Å; A31-F34 PolarHBondContact O-N 2.88Å; A31-F34 VanDerWaalsContact O-N 3.16Å; A31-L35 PolarHBondContact O-N 3.28Å; A31-F85 HydrophobicContact CB-CE2 4.48Å; A31-I92 HydrophobicContact CB-CD1 4.02Å |
| 32 | M | 95.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 71 Ų | 71 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -29.9 | 177.1 | -76.6 | -58.5 | -57.5 | 0 | 0 | 113.2 | S28 C29 V30 F34 L35 L36 | S28-M32 WeakPolarHBondContact O-CB 3.41Å; S28-M32 VanDerWaalsContact O-CG 3.26Å; S28-M32 WeakPolarHBondContact O-CG 3.46Å; S28-M32 PolarHBondContact O-N 3.09Å; C29-M32 WeakPolarHBondContact O-CB 3.38Å; C29-M32 PolarHBondContact O-N 3.5Å; V30-M32 VanDerWaalsContact C-N 3.3Å; V30-M32 PolarHBondContact O-N 3.03Å; M32-F34 VanDerWaalsContact C-N 3.28Å; M32-F34 PolarHBondContact O-N 2.99Å; M32-L35 PolarHBondContact O-N 3.24Å; M32-L35 HydrophobicContact SD-CD1 3.76Å; M32-L36 HydrophobicContact CE-CD2 4.4Å; M32-L36 HydrophobicContact CE-CG 4.21Å; M32-L36 WeakPolarHBondContact O-CB 3.38Å; M32-L36 WeakPolarHBondContact O-CG 3.44Å; M32-L36 PolarHBondContact O-N 3.29Å |
| 33 | V | 95.6 | Very high | 94.3 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | C29 V30 A31 G37 | C29-V33 PolarHBondContact O-N 3.36Å; V30-V33 WeakPolarHBondContact O-CB 3.44Å; V30-V33 PolarHBondContact O-N 3.03Å; A31-V33 VanDerWaalsContact C-N 3.28Å; A31-V33 PolarHBondContact O-N 3.35Å; V33-G37 PolarHBondContact O-N 3.42Å |
| 34 | F | 94.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 176 | -60.5 | -73.5 | 0 | 0 | 0 | 111.5 | V30 A31 M32 G37 L38 A47 F50 I51 F84 F85 L88 | V30-F34 HydrophobicContact CG1-CE2 4.19Å; V30-F34 WeakPolarHBondContact O-CD2 3.36Å; A31-F34 PolarHBondContact O-N 2.88Å; A31-F34 VanDerWaalsContact O-N 3.16Å; M32-F34 VanDerWaalsContact C-N 3.28Å; M32-F34 PolarHBondContact O-N 2.99Å; F34-G37 PolarHBondContact O-N 3.17Å; F34-L38 PolarHBondContact O-N 3.24Å; F34-A47 VanDerWaalsContact O-CB 3.23Å; F34-A47 WeakPolarHBondContact O-CB 3.36Å; F34-F50 HydrophobicContact CD1-CB 3.89Å; F34-F50 HydrophobicContact CD1-CD1 4.27Å; F34-F50 AromaticContact CD1-CD2 3.77Å; F34-F50 HydrophobicContact CD1-CD2 3.77Å; F34-F50 HydrophobicContact CD1-CE2 4.39Å; F34-F50 AromaticContact CD1-CG 3.71Å; F34-F50 HydrophobicContact CD1-CG 3.71Å; F34-F50 HydrophobicContact CE1-CB 4.21Å; F34-F50 AromaticContact CE1-CD1 3.7Å; F34-F50 HydrophobicContact CE1-CD1 3.7Å; F34-F50 AromaticContact CE1-CD2 3.57Å; F34-F50 HydrophobicContact CE1-CD2 3.57Å; F34-F50 AromaticContact CE1-CE1 3.89Å; F34-F50 HydrophobicContact CE1-CE1 3.89Å; F34-F50 AromaticContact CE1-CE2 3.77Å; F34-F50 HydrophobicContact CE1-CE2 3.77Å; F34-F50 AromaticContact CE1-CG 3.54Å; F34-F50 HydrophobicContact CE1-CG 3.54Å; F34-F50 AromaticContact CE1-CZ 3.93Å; F34-F50 HydrophobicContact CE1-CZ 3.93Å; F34-F50 HydrophobicContact CG-CB 4.34Å; F34-F50 AromaticContact CZ-CD1 3.96Å; F34-F50 HydrophobicContact CZ-CD1 3.96Å; F34-F50 HydrophobicContact CZ-CE1 4.06Å; F34-F50 HydrophobicContact CZ-CG 4.24Å; F34-F50 HydrophobicContact CZ-CZ 4.43Å; F34-I51 HydrophobicContact CB-CD1 4.12Å; F34-I51 HydrophobicContact CB-CG1 4.36Å; F34-F84 HydrophobicContact CE2-CE1 4.23Å; F34-F84 HydrophobicContact CZ-CE1 4.11Å; F34-F85 HydrophobicContact CB-CD2 4.17Å; F34-F85 HydrophobicContact CB-CE2 3.96Å; F34-F85 AromaticContact CD2-CD2 3.91Å; F34-F85 HydrophobicContact CD2-CD2 3.91Å; F34-F85 HydrophobicContact CD2-CE2 4.23Å; F34-F85 HydrophobicContact CG-CD2 4.17Å; F34-F85 HydrophobicContact CG-CE2 4.41Å; F34-L88 HydrophobicContact CD2-CD1 4.47Å; F34-L88 HydrophobicContact CE2-CD1 3.96Å |
| 35 | L | 94 | Very high | 94.3 | Very high | 74 Ų | 74 | 77.7 Ų | 77.7 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 179.1 | -65.2 | 178.2 | 0 | 0 | 0 | 112.3 | A31 M32 G37 L38 I51 F85 | A31-L35 PolarHBondContact O-N 3.28Å; M32-L35 PolarHBondContact O-N 3.24Å; M32-L35 HydrophobicContact SD-CD1 3.76Å; L35-G37 PolarHBondContact O-N 3.5Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.22Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L35-I51 HydrophobicContact CD2-CD1 3.96Å; L35-F85 HydrophobicContact CD2-CZ 4.3Å |
| 36 | L | 94.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 79.7 Ų | 79.7 | 45% | 0.45 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.5 | -31 | 174.3 | -67.9 | 175.8 | 0 | 0 | 0 | 111.6 | M32 L38 M39 | M32-L36 HydrophobicContact CE-CD2 4.4Å; M32-L36 HydrophobicContact CE-CG 4.21Å; M32-L36 WeakPolarHBondContact O-CB 3.38Å; M32-L36 WeakPolarHBondContact O-CG 3.44Å; M32-L36 PolarHBondContact O-N 3.29Å; L36-L38 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact O-N 3.16Å; L36-M39 HydrophobicContact CD2-SD 3.64Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.38Å; L36-M39 PolarHBondContact O-N 2.93Å |
| 37 | G | 93.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 76.9 Ų | 76.9 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58 | -23.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V33 F34 L35 M39 T43 S44 | V33-G37 PolarHBondContact O-N 3.42Å; F34-G37 PolarHBondContact O-N 3.17Å; L35-G37 PolarHBondContact O-N 3.5Å; G37-M39 VanDerWaalsContact C-N 3.26Å; G37-M39 PolarHBondContact O-N 3.07Å; G37-T43 CarbonylContact O-C 3.42Å; G37-T43 WeakPolarHBondContact O-CB 3.4Å; G37-T43 PolarHBondContact O-OG1 3.14Å; G37-S44 VanDerWaalsContact O-CA 3.24Å; G37-S44 WeakPolarHBondContact O-CA 3.3Å; G37-S44 PolarHBondContact O-N 3.09Å |
| 38 | L | 93.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 78.9 Ų | 78.9 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.8 | 173.2 | -64.3 | 177.4 | 0 | 0 | 0 | 113.6 | F34 L35 L36 A47 V48 I51 | F34-L38 PolarHBondContact O-N 3.24Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.22Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L36-L38 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact O-N 3.16Å; L38-A47 HydrophobicContact CD2-CB 3.75Å; L38-A47 HydrophobicContact CG-CB 4.12Å; L38-V48 HydrophobicContact CD2-CG2 3.6Å; L38-I51 HydrophobicContact CD1-CD1 3.56Å; L38-I51 HydrophobicContact CD2-CD1 4.06Å; L38-I51 HydrophobicContact CG-CD1 3.72Å |
| 39 | M | 94.3 | Very high | 94.2 | Very high | 142 Ų | 142 | 79.6 Ų | 79.6 | 70% | 0.7 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -20.4 | -174.6 | -60.4 | -178.5 | 66.9 | 0 | 0 | 113.5 | L36 G37 | L36-M39 HydrophobicContact CD2-SD 3.64Å; L36-M39 VanDerWaalsContact O-CB 3.3Å; L36-M39 WeakPolarHBondContact O-CB 3.38Å; L36-M39 PolarHBondContact O-N 2.93Å; G37-M39 VanDerWaalsContact C-N 3.26Å; G37-M39 PolarHBondContact O-N 3.07Å |
| 40 | F | 94.1 | Very high | 94.3 | Very high | 140 Ų | 140 | 77.8 Ų | 77.8 | 61% | 0.614 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -114.2 | 138.4 | 179.6 | -51.1 | -91.7 | 0 | 0 | 0 | 111.1 | V42 T43 S44 | F40-V42 VanDerWaalsContact C-N 3.31Å; F40-V42 PolarHBondContact O-N 3.04Å; F40-T43 WeakPolarHBondContact CB-OG1 3.44Å; F40-T43 PolarHBondContact O-N 3.27Å; F40-T43 PolarHBondContact O-OG1 2.91Å; F40-S44 VanDerWaalsContact O-CB 3.26Å; F40-S44 WeakPolarHBondContact O-CB 3.31Å; F40-S44 PolarHBondContact O-N 2.99Å; F40-S44 PolarHBondContact O-OG 2.76Å |
| 41 | E | 92.1 | Very high | 94.3 | Very high | 156 Ų | 156 | 76.1 Ų | 76.1 | 73% | 0.729 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.9 | -37.5 | -173.4 | -168.9 | -173.7 | 163 | 0 | 0 | 113.9 | S44 | E41-S44 PolarHBondContact O-OG 3.41Å |
| 42 | V | 93.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 78.7 Ų | 78.7 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -73 | -44.3 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | F40 | F40-V42 VanDerWaalsContact C-N 3.31Å; F40-V42 PolarHBondContact O-N 3.04Å |
| 43 | T | 94.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 36% | 0.362 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.6 | -25.5 | -177.8 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | G37 F40 K45 F46 A47 | G37-T43 CarbonylContact O-C 3.42Å; G37-T43 WeakPolarHBondContact O-CB 3.4Å; G37-T43 PolarHBondContact O-OG1 3.14Å; F40-T43 WeakPolarHBondContact CB-OG1 3.44Å; F40-T43 PolarHBondContact O-N 3.27Å; F40-T43 PolarHBondContact O-OG1 2.91Å; T43-K45 VanDerWaalsContact C-N 3.28Å; T43-K45 PolarHBondContact O-N 3.15Å; T43-F46 PolarHBondContact O-N 3.19Å; T43-A47 PolarHBondContact O-N 2.82Å |
| 44 | S | 93.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | G37 F40 E41 F46 A47 V48 | G37-S44 VanDerWaalsContact O-CA 3.24Å; G37-S44 WeakPolarHBondContact O-CA 3.3Å; G37-S44 PolarHBondContact O-N 3.09Å; F40-S44 VanDerWaalsContact O-CB 3.26Å; F40-S44 WeakPolarHBondContact O-CB 3.31Å; F40-S44 PolarHBondContact O-N 2.99Å; F40-S44 PolarHBondContact O-OG 2.76Å; E41-S44 PolarHBondContact O-OG 3.41Å; S44-F46 PolarHBondContact O-N 2.88Å; S44-F46 VanDerWaalsContact O-N 3.16Å; S44-A47 PolarHBondContact O-N 2.82Å; S44-V48 WeakPolarHBondContact O-CB 3.38Å; S44-V48 WeakPolarHBondContact O-CG2 3.29Å; S44-V48 PolarHBondContact O-N 3.01Å |
| 45 | K | 91.6 | Very high | 94.3 | Very high | 153 Ų | 153 | 73.7 Ų | 73.7 | 67% | 0.665 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.8 | -32.5 | 174.5 | -64.6 | 179.9 | -175.7 | 176.2 | 0 | 112.8 | T43 | T43-K45 VanDerWaalsContact C-N 3.28Å; T43-K45 PolarHBondContact O-N 3.15Å |
| 46 | F | 93.5 | Very high | 94.3 | Very high | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -89.9 | -43.5 | 176.6 | -63.8 | -82.1 | 0 | 0 | 0 | 112 | T43 S44 V48 L49 F50 | T43-F46 PolarHBondContact O-N 3.19Å; S44-F46 PolarHBondContact O-N 2.88Å; S44-F46 VanDerWaalsContact O-N 3.16Å; F46-V48 VanDerWaalsContact C-N 3.31Å; F46-V48 PolarHBondContact O-N 2.98Å; F46-L49 VanDerWaalsContact O-CB 3.24Å; F46-L49 WeakPolarHBondContact O-CB 3.33Å; F46-L49 PolarHBondContact O-N 2.81Å; F46-F50 WeakPolarHBondContact O-CD2 3.36Å |
| 47 | A | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.033 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | F34 L38 T43 S44 L49 F50 I51 | F34-A47 VanDerWaalsContact O-CB 3.23Å; F34-A47 WeakPolarHBondContact O-CB 3.36Å; L38-A47 HydrophobicContact CD2-CB 3.75Å; L38-A47 HydrophobicContact CG-CB 4.12Å; T43-A47 PolarHBondContact O-N 2.82Å; S44-A47 PolarHBondContact O-N 2.82Å; A47-L49 PolarHBondContact O-N 3.43Å; A47-F50 PolarHBondContact O-N 3.49Å; A47-F50 VanDerWaalsContact O-N 3.09Å; A47-I51 HydrophobicContact CB-CD1 4.4Å; A47-I51 WeakPolarHBondContact O-CG1 3.3Å; A47-I51 PolarHBondContact O-N 3.02Å; A47-I51 VanDerWaalsContact O-N 3.15Å |
| 48 | V | 94.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | 177.6 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | L38 S44 F46 F50 I51 T52 Q54 | L38-V48 HydrophobicContact CD2-CG2 3.6Å; S44-V48 WeakPolarHBondContact O-CB 3.38Å; S44-V48 WeakPolarHBondContact O-CG2 3.29Å; S44-V48 PolarHBondContact O-N 3.01Å; F46-V48 VanDerWaalsContact C-N 3.31Å; F46-V48 PolarHBondContact O-N 2.98Å; V48-F50 PolarHBondContact O-N 3.24Å; V48-I51 PolarHBondContact O-N 3.4Å; V48-T52 HydrophobicContact CG1-CG2 3.98Å; V48-T52 VanDerWaalsContact CG1-OG1 3.31Å; V48-T52 WeakPolarHBondContact CG1-OG1 3.34Å; V48-T52 PolarHBondContact O-N 3.36Å; V48-T52 PolarHBondContact O-OG1 3.09Å; V48-Q54 PolarHBondContact O-NE2 2.89Å |
| 49 | L | 94.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.7 | -35.1 | 177.4 | -177.1 | 65.4 | 0 | 0 | 0 | 112.6 | F46 A47 Q54 K78 A81 T82 | F46-L49 VanDerWaalsContact O-CB 3.24Å; F46-L49 WeakPolarHBondContact O-CB 3.33Å; F46-L49 PolarHBondContact O-N 2.81Å; A47-L49 PolarHBondContact O-N 3.43Å; L49-Q54 HydrophobicContact CD1-CG 4.42Å; L49-Q54 PolarHBondContact O-NE2 3.45Å; L49-K78 HydrophobicContact CD1-CB 3.62Å; L49-K78 HydrophobicContact CD1-CD 3.83Å; L49-K78 HydrophobicContact CD1-CG 3.73Å; L49-A81 HydrophobicContact CD2-CB 4.12Å; L49-A81 HydrophobicContact CG-CB 3.78Å; L49-T82 PolarHBondContact O-OG1 3.41Å; L49-T82 VanDerWaalsContact O-OG1 3.1Å |
| 50 | F | 96.8 | Very high | 93 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 21% | 0.211 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -85.6 | -34.3 | -178.9 | -72.1 | -89.8 | 0 | 0 | 0 | 112.1 | F34 F46 A47 V48 A81 T82 F84 F85 | F34-F50 HydrophobicContact CD1-CB 3.89Å; F34-F50 HydrophobicContact CD1-CD1 4.27Å; F34-F50 AromaticContact CD1-CD2 3.77Å; F34-F50 HydrophobicContact CD1-CD2 3.77Å; F34-F50 HydrophobicContact CD1-CE2 4.39Å; F34-F50 AromaticContact CD1-CG 3.71Å; F34-F50 HydrophobicContact CD1-CG 3.71Å; F34-F50 HydrophobicContact CE1-CB 4.21Å; F34-F50 AromaticContact CE1-CD1 3.7Å; F34-F50 HydrophobicContact CE1-CD1 3.7Å; F34-F50 AromaticContact CE1-CD2 3.57Å; F34-F50 HydrophobicContact CE1-CD2 3.57Å; F34-F50 AromaticContact CE1-CE1 3.89Å; F34-F50 HydrophobicContact CE1-CE1 3.89Å; F34-F50 AromaticContact CE1-CE2 3.77Å; F34-F50 HydrophobicContact CE1-CE2 3.77Å; F34-F50 AromaticContact CE1-CG 3.54Å; F34-F50 HydrophobicContact CE1-CG 3.54Å; F34-F50 AromaticContact CE1-CZ 3.93Å; F34-F50 HydrophobicContact CE1-CZ 3.93Å; F34-F50 HydrophobicContact CG-CB 4.34Å; F34-F50 AromaticContact CZ-CD1 3.96Å; F34-F50 HydrophobicContact CZ-CD1 3.96Å; F34-F50 HydrophobicContact CZ-CE1 4.06Å; F34-F50 HydrophobicContact CZ-CG 4.24Å; F34-F50 HydrophobicContact CZ-CZ 4.43Å; F46-F50 WeakPolarHBondContact O-CD2 3.36Å; A47-F50 PolarHBondContact O-N 3.49Å; A47-F50 VanDerWaalsContact O-N 3.09Å; V48-F50 PolarHBondContact O-N 3.24Å; F50-A81 HydrophobicContact CD1-CB 3.85Å; F50-A81 VanDerWaalsContact CD1-O 3.28Å; F50-A81 WeakPolarHBondContact CD1-O 3.17Å; F50-A81 HydrophobicContact CE1-CB 3.81Å; F50-A81 HydrophobicContact CE2-CB 4.49Å; F50-A81 HydrophobicContact CG-CB 4.22Å; F50-A81 HydrophobicContact CZ-CB 4.15Å; F50-T82 WeakPolarHBondContact O-CA 3.41Å; F50-F84 HydrophobicContact CD1-CD1 4.03Å; F50-F84 AromaticContact CE1-CD1 3.89Å; F50-F84 HydrophobicContact CE1-CD1 3.89Å; F50-F85 HydrophobicContact CB-CB 4.03Å; F50-F85 HydrophobicContact CB-CD2 4.42Å; F50-F85 HydrophobicContact CB-CG 4.39Å; F50-F85 WeakPolarHBondContact O-CB 3.42Å; F50-F85 WeakPolarHBondContact O-CG 3.44Å |
| 51 | I | 95.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -92.5 | -41.3 | -168.7 | -63.1 | 165.8 | 0 | 0 | 0 | 112.1 | F34 L35 L38 A47 V48 F85 Y86 | F34-I51 HydrophobicContact CB-CD1 4.12Å; F34-I51 HydrophobicContact CB-CG1 4.36Å; L35-I51 HydrophobicContact CD2-CD1 3.96Å; L38-I51 HydrophobicContact CD1-CD1 3.56Å; L38-I51 HydrophobicContact CD2-CD1 4.06Å; L38-I51 HydrophobicContact CG-CD1 3.72Å; A47-I51 HydrophobicContact CB-CD1 4.4Å; A47-I51 WeakPolarHBondContact O-CG1 3.3Å; A47-I51 PolarHBondContact O-N 3.02Å; A47-I51 VanDerWaalsContact O-N 3.15Å; V48-I51 PolarHBondContact O-N 3.4Å; I51-F85 HydrophobicContact CG1-CD1 4.44Å; I51-F85 HydrophobicContact CG1-CD2 4.34Å; I51-F85 HydrophobicContact CG1-CE1 4.13Å; I51-F85 HydrophobicContact CG1-CE2 4.01Å; I51-F85 HydrophobicContact CG1-CZ 3.91Å; I51-F85 HydrophobicContact CG2-CE1 4.5Å; I51-Y86 PolarHBondContact O-OH 3Å |
| 52 | T | 95.3 | Very high | 90 | Very high | 61 Ų | 61 | 66.2 Ų | 66.2 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -95.2 | 156.1 | -171.8 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | V48 Q54 T82 | V48-T52 HydrophobicContact CG1-CG2 3.98Å; V48-T52 VanDerWaalsContact CG1-OG1 3.31Å; V48-T52 WeakPolarHBondContact CG1-OG1 3.34Å; V48-T52 PolarHBondContact O-N 3.36Å; V48-T52 PolarHBondContact O-OG1 3.09Å; T52-Q54 PolarHBondContact O-N 2.91Å; T52-Q54 PolarHBondContact O-NE2 3.22Å; T52-Q54 PolarHBondContact OG1-NE2 3.48Å; T52-T82 WeakPolarHBondContact O-CG2 3.01Å; T52-T82 PolarHBondContact O-OG1 3.37Å |
| 53 | V | 95.7 | Very high | 88.2 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 126.5 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | F73 F163 K166 F167 I170 | V53-F73 HydrophobicContact CB-CD1 4.44Å; V53-F73 HydrophobicContact CB-CE1 4.2Å; V53-F73 HydrophobicContact CG1-CD1 3.62Å; V53-F73 HydrophobicContact CG1-CE1 3.85Å; V53-F73 HydrophobicContact CG1-CG 4.17Å; V53-F163 HydrophobicContact CB-CD2 4.22Å; V53-F163 HydrophobicContact CB-CE2 3.99Å; V53-F163 HydrophobicContact CG2-CD2 4Å; V53-F163 HydrophobicContact CG2-CE2 3.43Å; V53-F163 VanDerWaalsContact CG2-CE2 3.43Å; V53-F163 HydrophobicContact CG2-CZ 4.24Å; V53-K166 HydrophobicContact CG1-CB 4.33Å; V53-K166 HydrophobicContact CG1-CD 3.39Å; V53-K166 VanDerWaalsContact CG1-CE 3.45Å; V53-K166 HydrophobicContact CG1-CG 3.7Å; V53-F167 HydrophobicContact CG2-CB 4.09Å; V53-F167 HydrophobicContact CG2-CD2 3.95Å; V53-F167 HydrophobicContact CG2-CG 4.25Å; V53-I170 HydrophobicContact CG1-CD1 4.36Å; V53-I170 HydrophobicContact CG2-CD1 4.45Å |
| 54 | Q | 96 | Very high | 86.5 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 168.6 | -171.6 | -55.1 | -61.9 | -53.1 | 0 | 0 | 112.6 | V48 L49 T52 F73 K78 D79 K166 | V48-Q54 PolarHBondContact O-NE2 2.89Å; L49-Q54 HydrophobicContact CD1-CG 4.42Å; L49-Q54 PolarHBondContact O-NE2 3.45Å; T52-Q54 PolarHBondContact O-N 2.91Å; T52-Q54 PolarHBondContact O-NE2 3.22Å; T52-Q54 PolarHBondContact OG1-NE2 3.48Å; Q54-F73 WeakPolarHBondContact O-CD1 3.27Å; Q54-K78 HydrophobicContact CB-CB 4.16Å; Q54-K78 HydrophobicContact CG-CB 3.94Å; Q54-D79 WeakPolarHBondContact CB-OD1 3.27Å; Q54-K166 PolarHBondContact O-NZ 2.92Å |
| 55 | Y | 95.1 | Very high | 84.8 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | trans | 60.7 | 43.3 | 173.3 | -51.5 | -81 | 0 | 0 | 0 | 115 | F73 H74 G76 I77 K78 | Y55-F73 WeakPolarHBondContact O-CA 3.42Å; Y55-H74 PolarHBondContact O-N 3.19Å; Y55-G76 VanDerWaalsContact CE2-C 3.48Å; Y55-I77 PolarHBondContact OH-N 2.99Å; Y55-I77 VanDerWaalsContact OH-N 3.14Å; Y55-K78 HydrophobicContact CE1-CD 4.44Å; Y55-K78 HydrophobicContact CE2-CB 3.69Å; Y55-K78 HydrophobicContact CE2-CG 4.4Å; Y55-K78 WeakPolarHBondContact OH-CB 3.06Å; Y55-K78 WeakPolarHBondContact OH-CG 3.34Å; Y55-K78 PolarHBondContact OH-N 2.86Å | ||
| 56 | N | 94.8 | Very high | 83.2 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.3 | 172.2 | -172.3 | 30 | 0 | 0 | 0 | 111.2 | N71 H72 F73 | N56-N71 PolarHBondContact ND2-OD1 3.33Å; N56-N71 WeakPolarHBondContact OD1-CB 3.39Å; N56-N71 PolarHBondContact OD1-OD1 3.24Å; N56-H72 CarbonylContact C-O 3.56Å; N56-H72 PolarHBondContact OD1-O 3Å; N56-F73 HydrophobicContact CB-CD1 3.98Å; N56-F73 HydrophobicContact CB-CE1 3.59Å; N56-F73 HydrophobicContact CB-CZ 4.21Å |
| 57 | V | 92.4 | Very high | 81.6 | Confident | 52 Ų | 52 | 75 Ų | 75 | 32% | 0.315 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121 | 174.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | I59 H72 | V57-I59 HydrophobicContact CG1-CG1 4.3Å; V57-H72 PolarHBondContact N-O 3.46Å; V57-H72 PolarHBondContact O-N 3.34Å |
| 58 | T | 89.9 | Confident | 80.3 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.5 | 177.6 | -53.8 | 0 | 0 | 0 | 0 | 109.1 | A69 N71 | T58-A69 HydrophobicContact CG2-CB 3.71Å; T58-N71 PolarHBondContact OG1-OD1 3.2Å |
| 59 | I | 84.3 | Confident | 79.4 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122 | 177.1 | -57.5 | 175.8 | 0 | 0 | 0 | 107.4 | V57 V70 H72 L160 | V57-I59 HydrophobicContact CG1-CG1 4.3Å; I59-V70 PolarHBondContact N-O 3.05Å; I59-V70 PolarHBondContact O-N 2.81Å; I59-H72 HydrophobicContact CD1-CB 4.41Å; I59-L160 HydrophobicContact CD1-CD1 3.73Å |
| 60 | S | 79.8 | Confident | 78.8 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 47% | 0.469 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.4 | 173.1 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 61 | T | 65.2 | Low | 78.5 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 34% | 0.337 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.9 | 172.9 | 40.3 | 0 | 0 | 0 | 0 | 109.9 | E63 T68 | T61-E63 PolarHBondContact O-N 3Å; T61-T68 PolarHBondContact N-O 3.44Å; T61-T68 PolarHBondContact OG1-O 3.15Å; T61-T68 VanDerWaalsContact OG1-O 3.12Å; T61-T68 PolarHBondContact OG1-OG1 3.24Å |
| 62 | N | 58.2 | Low | 78.4 | Confident | 132 Ų | 132 | 81.9 Ų | 81.9 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | trans | -79.8 | 55.7 | 177.4 | -70.7 | -6.8 | 0 | 0 | 0 | 111.8 | ||||
| 63 | E | 55.7 | Low | 78.5 | Confident | 185 Ų | 185 | 79.7 Ų | 79.7 | 86% | 0.864 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -112 | 40.1 | 179.7 | -66.5 | -163.5 | 164 | 0 | 0 | 112.9 | T61 | T61-E63 PolarHBondContact O-N 3Š|
| 64 | G | 58.7 | Low | 78.5 | Confident | 48 Ų | 48 | 82.1 Ų | 82.1 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 163.2 | -178.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E66 | G64-E66 PolarHBondContact O-N 2.88Š|
| 65 | P | 58.1 | Low | 78.4 | Confident | 145 Ų | 145 | 83.4 Ų | 83.4 | 94% | 0.942 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -68.9 | -6.9 | 174 | 26.9 | -31.9 | 0 | 0 | 0 | 114 | ||
| 66 | E | 58.5 | Low | 78.4 | Confident | 155 Ų | 155 | 80.8 Ų | 80.8 | 72% | 0.724 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -114.9 | 111.1 | 174.4 | -65.7 | -173 | 175 | 0 | 0 | 109.7 | G64 T68 | G64-E66 PolarHBondContact O-N 2.88Å; E66-T68 PolarHBondContact O-N 3Å |
| 67 | E | 59.5 | Low | 78.4 | Confident | 152 Ų | 152 | 83.2 Ų | 83.2 | 71% | 0.71 | 47% | 0.471 | S | S | * | . | trans | -63.4 | 105.1 | 170.6 | -75.1 | -176.4 | 175.7 | 0 | 0 | 109.3 | ||||
| 68 | T | 67.7 | Low | 78.6 | Confident | 78 Ų | 78 | 86 Ų | 86 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.4 | 172.7 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | T61 E66 | T61-T68 PolarHBondContact N-O 3.44Å; T61-T68 PolarHBondContact OG1-O 3.15Å; T61-T68 VanDerWaalsContact OG1-O 3.12Å; T61-T68 PolarHBondContact OG1-OG1 3.24Å; E66-T68 PolarHBondContact O-N 3Å |
| 69 | A | 75.5 | Confident | 79 | Confident | 63 Ų | 63 | 82.4 Ų | 82.4 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T58 | T58-A69 HydrophobicContact CG2-CB 3.71Å |
| 70 | V | 83.1 | Confident | 79.6 | Confident | 64 Ų | 64 | 85 Ų | 85 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.9 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | I59 H72 | I59-V70 PolarHBondContact N-O 3.05Å; I59-V70 PolarHBondContact O-N 2.81Å; V70-H72 VanDerWaalsContact CG1-CE1 3.5Å; V70-H72 WeakPolarHBondContact CG1-CE1 3.39Å; V70-H72 PolarHBondContact O-ND1 3.23Å |
| 71 | N | 90.1 | Very high | 80.5 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.4 | -179.6 | -70.9 | -50.6 | 0 | 0 | 0 | 111.8 | N56 T58 F73 | N56-N71 PolarHBondContact ND2-OD1 3.33Å; N56-N71 WeakPolarHBondContact OD1-CB 3.39Å; N56-N71 PolarHBondContact OD1-OD1 3.24Å; T58-N71 PolarHBondContact OG1-OD1 3.2Å; N71-F73 HydrophobicContact CB-CE2 4.24Å; N71-F73 HydrophobicContact CB-CZ 4.48Å |
| 72 | H | 93.6 | Very high | 82.1 | Confident | 50 Ų | 50 | 80 Ų | 80 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 163 | 174.6 | -69.6 | 77.5 | 0 | 0 | 0 | 110.5 | N56 V57 I59 V70 L160 M161 | N56-H72 CarbonylContact C-O 3.56Å; N56-H72 PolarHBondContact OD1-O 3Å; V57-H72 PolarHBondContact N-O 3.46Å; V57-H72 PolarHBondContact O-N 3.34Å; I59-H72 HydrophobicContact CD1-CB 4.41Å; V70-H72 VanDerWaalsContact CG1-CE1 3.5Å; V70-H72 WeakPolarHBondContact CG1-CE1 3.39Å; V70-H72 PolarHBondContact O-ND1 3.23Å; H72-L160 HydrophobicContact CB-CB 4.19Å; H72-L160 HydrophobicContact CB-CD2 3.97Å; H72-M161 CarbonylContact C-O 3.32Å |
| 73 | F | 96.3 | Very high | 84 | Confident | 15 Ų | 15 | 74 Ų | 74 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.8 | -173.7 | -58.4 | -101 | 0 | 0 | 0 | 112.1 | V53 Q54 Y55 N56 N71 M161 F163 K166 | V53-F73 HydrophobicContact CB-CD1 4.44Å; V53-F73 HydrophobicContact CB-CE1 4.2Å; V53-F73 HydrophobicContact CG1-CD1 3.62Å; V53-F73 HydrophobicContact CG1-CE1 3.85Å; V53-F73 HydrophobicContact CG1-CG 4.17Å; Q54-F73 WeakPolarHBondContact O-CD1 3.27Å; Y55-F73 WeakPolarHBondContact O-CA 3.42Å; N56-F73 HydrophobicContact CB-CD1 3.98Å; N56-F73 HydrophobicContact CB-CE1 3.59Å; N56-F73 HydrophobicContact CB-CZ 4.21Å; N71-F73 HydrophobicContact CB-CE2 4.24Å; N71-F73 HydrophobicContact CB-CZ 4.48Å; F73-M161 PolarHBondContact N-O 3.22Å; F73-M161 PolarHBondContact O-N 3.19Å; F73-F163 HydrophobicContact CD2-CB 4.28Å; F73-F163 HydrophobicContact CE2-CB 3.62Å; F73-F163 HydrophobicContact CE2-CD2 4.17Å; F73-F163 HydrophobicContact CE2-CG 4.41Å; F73-F163 HydrophobicContact CZ-CB 4.25Å; F73-F163 AromaticContact CZ-CD2 3.97Å; F73-F163 HydrophobicContact CZ-CD2 3.97Å; F73-K166 HydrophobicContact CB-CB 4.37Å; F73-K166 HydrophobicContact CB-CD 3.36Å; F73-K166 HydrophobicContact CB-CG 4.45Å; F73-K166 HydrophobicContact CD1-CD 4.34Å; F73-K166 HydrophobicContact CG-CD 4.03Å |
| 74 | H | 95.4 | Very high | 86 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | trans | -81.1 | 164.4 | 165.8 | -68.8 | -64.6 | 0 | 0 | 0 | 111.2 | Y55 T159 L160 K166 | Y55-H74 PolarHBondContact O-N 3.19Å; H74-T159 WeakPolarHBondContact CA-O 3.39Å; H74-T159 PolarHBondContact ND1-O 3.08Å; H74-L160 WeakPolarHBondContact CE1-CD2 3.49Å; H74-L160 WeakPolarHBondContact NE2-CD2 3.48Å; H74-K166 PolarHBondContact O-NZ 3.17Å | ||
| 75 | H | 94.4 | Very high | 87.9 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -88.4 | 156.7 | 164 | 71 | 94 | 0 | 0 | 0 | 110.9 | M161 Y211 N214 | H75-M161 HydrophobicContact CB-CE 4.09Å; H75-Y211 HydrophobicContact CB-CD1 4.01Å; H75-Y211 HydrophobicContact CB-CE1 3.4Å; H75-Y211 HydrophobicContact CB-CE2 4.19Å; H75-Y211 VanDerWaalsContact CB-CZ 3.47Å; H75-N214 PolarHBondContact CD2-OD1 3.19Å; H75-N214 PolarHBondContact NE2-ND2 3.06Å; H75-N214 PolarHBondContact NE2-OD1 3.25Å | ||
| 76 | G | 94.7 | Very high | 89.8 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | trans | -176.4 | 178.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y55 K78 D79 | Y55-G76 VanDerWaalsContact CE2-C 3.48Å; G76-K78 PolarHBondContact O-N 3.22Å; G76-K78 VanDerWaalsContact O-N 3.15Å; G76-D79 PolarHBondContact N-OD2 2.71Å; G76-D79 VanDerWaalsContact O-CB 3.27Å; G76-D79 WeakPolarHBondContact O-CB 3.26Å; G76-D79 PolarHBondContact O-N 3.28Å | ||
| 77 | I | 95.8 | Very high | 91.7 | Very high | 131 Ų | 131 | 56.7 Ų | 56.7 | 67% | 0.672 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.9 | -172 | -161.6 | 77.6 | 0 | 0 | 0 | 113.5 | Y55 D79 L80 | Y55-I77 PolarHBondContact OH-N 2.99Å; Y55-I77 VanDerWaalsContact OH-N 3.14Å; I77-D79 PolarHBondContact O-N 3.47Å; I77-L80 HydrophobicContact CD1-CD1 3.73Å; I77-L80 HydrophobicContact CG1-CD1 4.16Å; I77-L80 WeakPolarHBondContact O-CB 3.49Å; I77-L80 WeakPolarHBondContact O-CG 3.16Å; I77-L80 PolarHBondContact O-N 2.88Å; I77-L80 VanDerWaalsContact O-N 3.11Å |
| 78 | K | 96.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 50 Ų | 50 | 48% | 0.478 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.4 | 178.4 | -69.7 | -179.8 | 179.8 | 179.3 | 0 | 112.6 | L49 Q54 Y55 G76 L80 A81 | L49-K78 HydrophobicContact CD1-CB 3.62Å; L49-K78 HydrophobicContact CD1-CD 3.83Å; L49-K78 HydrophobicContact CD1-CG 3.73Å; Q54-K78 HydrophobicContact CB-CB 4.16Å; Q54-K78 HydrophobicContact CG-CB 3.94Å; Y55-K78 HydrophobicContact CE1-CD 4.44Å; Y55-K78 HydrophobicContact CE2-CB 3.69Å; Y55-K78 HydrophobicContact CE2-CG 4.4Å; Y55-K78 WeakPolarHBondContact OH-CB 3.06Å; Y55-K78 WeakPolarHBondContact OH-CG 3.34Å; Y55-K78 PolarHBondContact OH-N 2.86Å; G76-K78 PolarHBondContact O-N 3.22Å; G76-K78 VanDerWaalsContact O-N 3.15Å; K78-L80 PolarHBondContact O-N 3.38Å; K78-L80 VanDerWaalsContact O-N 3.17Å; K78-A81 WeakPolarHBondContact O-CB 3.25Å; K78-A81 PolarHBondContact O-N 3.41Å; K78-A81 VanDerWaalsContact O-N 3.13Å |
| 79 | D | 97.6 | Very high | 95 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -20.1 | 176.4 | -62.9 | -43.6 | 0 | 0 | 0 | 112 | Q54 G76 I77 A81 T82 V83 K166 Y211 | Q54-D79 WeakPolarHBondContact CB-OD1 3.27Å; G76-D79 PolarHBondContact N-OD2 2.71Å; G76-D79 VanDerWaalsContact O-CB 3.27Å; G76-D79 WeakPolarHBondContact O-CB 3.26Å; G76-D79 PolarHBondContact O-N 3.28Å; I77-D79 PolarHBondContact O-N 3.47Å; D79-A81 VanDerWaalsContact C-N 3.3Å; D79-A81 PolarHBondContact O-N 2.94Å; D79-T82 PolarHBondContact O-N 3.14Å; D79-V83 WeakPolarHBondContact O-CB 3.47Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.35Å; D79-V83 PolarHBondContact O-N 2.95Å; D79-K166 WeakPolarHBondContact OD1-CE 3.24Å; D79-K166 IonicContact OD1-NZ 2.75Å; D79-K166 PolarHBondContact OD1-NZ 3.13Å; D79-K166 IonicContact OD2-NZ 2.98Å; D79-K166 PolarHBondContact OD2-NZ 3.48Å; D79-Y211 PolarHBondContact OD2-OH 3.47Å |
| 80 | L | 98 | Very high | 96.1 | Very high | 117 Ų | 117 | 46.2 Ų | 46.2 | 61% | 0.613 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -37.6 | 174.1 | -66.3 | 178.8 | 0 | 0 | 0 | 112.5 | I77 K78 T82 F84 | I77-L80 HydrophobicContact CD1-CD1 3.73Å; I77-L80 HydrophobicContact CG1-CD1 4.16Å; I77-L80 WeakPolarHBondContact O-CB 3.49Å; I77-L80 WeakPolarHBondContact O-CG 3.16Å; I77-L80 PolarHBondContact O-N 2.88Å; I77-L80 VanDerWaalsContact O-N 3.11Å; K78-L80 PolarHBondContact O-N 3.38Å; K78-L80 VanDerWaalsContact O-N 3.17Å; L80-T82 VanDerWaalsContact C-N 3.35Å; L80-F84 WeakPolarHBondContact O-CB 3.3Å; L80-F84 PolarHBondContact O-N 3.39Å |
| 81 | A | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 F50 K78 D79 F84 F85 | L49-A81 HydrophobicContact CD2-CB 4.12Å; L49-A81 HydrophobicContact CG-CB 3.78Å; F50-A81 HydrophobicContact CD1-CB 3.85Å; F50-A81 VanDerWaalsContact CD1-O 3.28Å; F50-A81 WeakPolarHBondContact CD1-O 3.17Å; F50-A81 HydrophobicContact CE1-CB 3.81Å; F50-A81 HydrophobicContact CE2-CB 4.49Å; F50-A81 HydrophobicContact CG-CB 4.22Å; F50-A81 HydrophobicContact CZ-CB 4.15Å; K78-A81 WeakPolarHBondContact O-CB 3.25Å; K78-A81 PolarHBondContact O-N 3.41Å; K78-A81 VanDerWaalsContact O-N 3.13Å; D79-A81 VanDerWaalsContact C-N 3.3Å; D79-A81 PolarHBondContact O-N 2.94Å; A81-F84 WeakPolarHBondContact O-CB 3.29Å; A81-F84 PolarHBondContact O-N 3.09Å; A81-F85 PolarHBondContact O-N 3.48Å |
| 82 | T | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 176 | -38.6 | 0 | 0 | 0 | 0 | 111.5 | L49 F50 T52 D79 L80 F84 F85 Y86 I170 | L49-T82 PolarHBondContact O-OG1 3.41Å; L49-T82 VanDerWaalsContact O-OG1 3.1Å; F50-T82 WeakPolarHBondContact O-CA 3.41Å; T52-T82 WeakPolarHBondContact O-CG2 3.01Å; T52-T82 PolarHBondContact O-OG1 3.37Å; D79-T82 PolarHBondContact O-N 3.14Å; L80-T82 VanDerWaalsContact C-N 3.35Å; T82-F84 VanDerWaalsContact C-N 3.3Å; T82-F84 PolarHBondContact O-N 3.37Å; T82-F85 PolarHBondContact O-N 3.16Å; T82-Y86 HydrophobicContact CG2-CD2 3.85Å; T82-Y86 HydrophobicContact CG2-CE2 3.72Å; T82-Y86 VanDerWaalsContact O-CD2 3.26Å; T82-Y86 WeakPolarHBondContact O-CD2 3.41Å; T82-Y86 PolarHBondContact O-N 3.44Å; T82-I170 HydrophobicContact CG2-CD1 4.14Å; T82-I170 HydrophobicContact CG2-CG2 3.97Å |
| 83 | V | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | D79 Y86 M87 I170 M173 L177 | D79-V83 WeakPolarHBondContact O-CB 3.47Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.35Å; D79-V83 PolarHBondContact O-N 2.95Å; V83-Y86 PolarHBondContact O-N 3.38Å; V83-M87 WeakPolarHBondContact O-CB 3.45Å; V83-M87 PolarHBondContact O-N 2.96Å; V83-I170 HydrophobicContact CG2-CB 4.33Å; V83-I170 HydrophobicContact CG2-CG1 4.34Å; V83-I170 HydrophobicContact CG2-CG2 3.96Å; V83-M173 HydrophobicContact CG1-CB 3.91Å; V83-M173 HydrophobicContact CG2-CB 4.12Å; V83-M173 HydrophobicContact CG2-CE 3.83Å; V83-L177 HydrophobicContact CG1-CD1 3.5Å; V83-L177 VanDerWaalsContact CG1-CD1 3.5Å |
| 84 | F | 98.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 37% | 0.368 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -45.3 | 175.6 | 173.4 | -99.3 | 0 | 0 | 0 | 112 | F34 F50 L80 A81 T82 M87 L88 | F34-F84 HydrophobicContact CE2-CE1 4.23Å; F34-F84 HydrophobicContact CZ-CE1 4.11Å; F50-F84 HydrophobicContact CD1-CD1 4.03Å; F50-F84 AromaticContact CE1-CD1 3.89Å; F50-F84 HydrophobicContact CE1-CD1 3.89Å; L80-F84 WeakPolarHBondContact O-CB 3.3Å; L80-F84 PolarHBondContact O-N 3.39Å; A81-F84 WeakPolarHBondContact O-CB 3.29Å; A81-F84 PolarHBondContact O-N 3.09Å; T82-F84 VanDerWaalsContact C-N 3.3Å; T82-F84 PolarHBondContact O-N 3.37Å; F84-M87 HydrophobicContact CD2-CE 3.57Å; F84-M87 HydrophobicContact CE2-CE 3.63Å; F84-M87 WeakPolarHBondContact O-CB 3.42Å; F84-M87 PolarHBondContact O-N 3.19Å; F84-L88 HydrophobicContact CE1-CD1 3.92Å; F84-L88 HydrophobicContact CE1-CG 4.34Å; F84-L88 HydrophobicContact CE2-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.24Å; F84-L88 HydrophobicContact CZ-CD2 4.08Å; F84-L88 HydrophobicContact CZ-CG 4.38Å; F84-L88 PolarHBondContact O-N 3.5Å; F84-L88 VanDerWaalsContact O-N 3.17Å |
| 85 | F | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 177 | 179.8 | -101.3 | 0 | 0 | 0 | 112.1 | A31 F34 L35 F50 I51 A81 T82 M87 L88 V89 | A31-F85 HydrophobicContact CB-CE2 4.48Å; F34-F85 HydrophobicContact CB-CD2 4.17Å; F34-F85 HydrophobicContact CB-CE2 3.96Å; F34-F85 AromaticContact CD2-CD2 3.91Å; F34-F85 HydrophobicContact CD2-CD2 3.91Å; F34-F85 HydrophobicContact CD2-CE2 4.23Å; F34-F85 HydrophobicContact CG-CD2 4.17Å; F34-F85 HydrophobicContact CG-CE2 4.41Å; L35-F85 HydrophobicContact CD2-CZ 4.3Å; F50-F85 HydrophobicContact CB-CB 4.03Å; F50-F85 HydrophobicContact CB-CD2 4.42Å; F50-F85 HydrophobicContact CB-CG 4.39Å; F50-F85 WeakPolarHBondContact O-CB 3.42Å; F50-F85 WeakPolarHBondContact O-CG 3.44Å; I51-F85 HydrophobicContact CG1-CD1 4.44Å; I51-F85 HydrophobicContact CG1-CD2 4.34Å; I51-F85 HydrophobicContact CG1-CE1 4.13Å; I51-F85 HydrophobicContact CG1-CE2 4.01Å; I51-F85 HydrophobicContact CG1-CZ 3.91Å; I51-F85 HydrophobicContact CG2-CE1 4.5Å; A81-F85 PolarHBondContact O-N 3.48Å; T82-F85 PolarHBondContact O-N 3.16Å; F85-M87 VanDerWaalsContact C-N 3.26Å; F85-M87 PolarHBondContact O-N 2.86Å; F85-L88 WeakPolarHBondContact O-CA 3.33Å; F85-L88 VanDerWaalsContact O-CB 3.32Å; F85-L88 WeakPolarHBondContact O-CB 3.21Å; F85-L88 PolarHBondContact O-N 2.83Å; F85-V89 HydrophobicContact CD1-CG2 4.28Å; F85-V89 HydrophobicContact CE1-CG2 3.91Å; F85-V89 HydrophobicContact CZ-CG2 4.24Å; F85-V89 PolarHBondContact O-N 3.37Å |
| 86 | Y | 98.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 18% | 0.184 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -20.7 | 178.2 | -76.1 | -76.3 | 0 | 0 | 0 | 113.4 | I51 T82 V83 V89 A90 F167 I170 | I51-Y86 PolarHBondContact O-OH 3Å; T82-Y86 HydrophobicContact CG2-CD2 3.85Å; T82-Y86 HydrophobicContact CG2-CE2 3.72Å; T82-Y86 VanDerWaalsContact O-CD2 3.26Å; T82-Y86 WeakPolarHBondContact O-CD2 3.41Å; T82-Y86 PolarHBondContact O-N 3.44Å; V83-Y86 PolarHBondContact O-N 3.38Å; Y86-V89 HydrophobicContact CD1-CB 4.44Å; Y86-V89 HydrophobicContact CD1-CG2 4.38Å; Y86-V89 PolarHBondContact O-N 3.41Å; Y86-A90 WeakPolarHBondContact O-CB 3.38Å; Y86-A90 PolarHBondContact O-N 2.85Å; Y86-F167 AromaticContact CD1-CE2 3.99Å; Y86-F167 HydrophobicContact CD1-CE2 3.99Å; Y86-F167 HydrophobicContact CD1-CZ 4.2Å; Y86-F167 HydrophobicContact CD2-CE2 4.08Å; Y86-F167 AromaticContact CE1-CE2 3.44Å; Y86-F167 HydrophobicContact CE1-CE2 3.44Å; Y86-F167 VanDerWaalsContact CE1-CE2 3.44Å; Y86-F167 AromaticContact CE1-CZ 3.46Å; Y86-F167 HydrophobicContact CE1-CZ 3.46Å; Y86-F167 VanDerWaalsContact CE1-CZ 3.46Å; Y86-F167 HydrophobicContact CE2-CD2 4.4Å; Y86-F167 AromaticContact CE2-CE2 3.56Å; Y86-F167 HydrophobicContact CE2-CE2 3.56Å; Y86-F167 HydrophobicContact CE2-CZ 4.37Å; Y86-F167 HydrophobicContact CG-CE2 4.29Å; Y86-F167 AromaticContact CZ-CE2 3.19Å; Y86-F167 AromaticContact CZ-CZ 3.57Å; Y86-F167 WeakPolarHBondContact OH-CE2 3.28Å; Y86-I170 HydrophobicContact CD2-CG2 3.81Å; Y86-I170 HydrophobicContact CG-CG2 4.41Å |
| 87 | M | 98.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 164.9 | 179.9 | -165.9 | 71.5 | 0 | 0 | 111.2 | V83 F84 F85 A90 I91 G174 L177 H178 | V83-M87 WeakPolarHBondContact O-CB 3.45Å; V83-M87 PolarHBondContact O-N 2.96Å; F84-M87 HydrophobicContact CD2-CE 3.57Å; F84-M87 HydrophobicContact CE2-CE 3.63Å; F84-M87 WeakPolarHBondContact O-CB 3.42Å; F84-M87 PolarHBondContact O-N 3.19Å; F85-M87 VanDerWaalsContact C-N 3.26Å; F85-M87 PolarHBondContact O-N 2.86Å; M87-A90 WeakPolarHBondContact O-CB 3.44Å; M87-A90 PolarHBondContact O-N 3.06Å; M87-I91 WeakPolarHBondContact O-CG1 3.41Å; M87-I91 PolarHBondContact O-N 2.84Å; M87-G174 WeakPolarHBondContact CA-O 3.5Å; M87-L177 HydrophobicContact CG-CB 4.02Å; M87-L177 HydrophobicContact SD-CB 3.76Å; M87-H178 HydrophobicContact CG-CB 4Å |
| 88 | L | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 174.4 | -55.4 | -179.6 | 0 | 0 | 0 | 111 | V27 V30 F34 F84 F85 A90 I91 I92 | V27-L88 HydrophobicContact CG1-CB 3.82Å; V27-L88 HydrophobicContact CG1-CD2 3.95Å; V27-L88 HydrophobicContact CG1-CG 4.42Å; V30-L88 HydrophobicContact CG1-CD1 3.8Å; F34-L88 HydrophobicContact CD2-CD1 4.47Å; F34-L88 HydrophobicContact CE2-CD1 3.96Å; F84-L88 HydrophobicContact CE1-CD1 3.92Å; F84-L88 HydrophobicContact CE1-CG 4.34Å; F84-L88 HydrophobicContact CE2-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.24Å; F84-L88 HydrophobicContact CZ-CD2 4.08Å; F84-L88 HydrophobicContact CZ-CG 4.38Å; F84-L88 PolarHBondContact O-N 3.5Å; F84-L88 VanDerWaalsContact O-N 3.17Å; F85-L88 WeakPolarHBondContact O-CA 3.33Å; F85-L88 VanDerWaalsContact O-CB 3.32Å; F85-L88 WeakPolarHBondContact O-CB 3.21Å; F85-L88 PolarHBondContact O-N 2.83Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.32Å; L88-I91 PolarHBondContact O-N 3.2Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3Å; L88-I92 VanDerWaalsContact O-N 3.1Å |
| 89 | V | 98.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 38 Ų | 38 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.4 | 178 | 0 | 0 | 0 | 0 | 110.8 | F85 Y86 I91 I92 M93 | F85-V89 HydrophobicContact CD1-CG2 4.28Å; F85-V89 HydrophobicContact CE1-CG2 3.91Å; F85-V89 HydrophobicContact CZ-CG2 4.24Å; F85-V89 PolarHBondContact O-N 3.37Å; Y86-V89 HydrophobicContact CD1-CB 4.44Å; Y86-V89 HydrophobicContact CD1-CG2 4.38Å; Y86-V89 PolarHBondContact O-N 3.41Å; V89-I91 PolarHBondContact O-N 2.92Å; V89-I92 PolarHBondContact O-N 3.3Å; V89-M93 HydrophobicContact CG1-CG 4.22Å; V89-M93 WeakPolarHBondContact O-CB 3.3Å; V89-M93 WeakPolarHBondContact O-CG 3.27Å; V89-M93 PolarHBondContact O-N 2.99Å |
| 90 | A | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 45 Ų | 45 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y86 M87 L88 M93 H94 Y175 H178 | Y86-A90 WeakPolarHBondContact O-CB 3.38Å; Y86-A90 PolarHBondContact O-N 2.85Å; M87-A90 WeakPolarHBondContact O-CB 3.44Å; M87-A90 PolarHBondContact O-N 3.06Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.32Å; A90-M93 PolarHBondContact O-N 3.19Å; A90-H94 VanDerWaalsContact O-CB 3.27Å; A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.35Å; A90-Y175 HydrophobicContact CB-CD2 4.49Å; A90-H178 HydrophobicContact CB-CB 3.68Å |
| 91 | I | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 174 | -64.1 | 166.1 | 0 | 0 | 0 | 110.7 | V27 M87 L88 V89 H94 A95 H178 P181 F185 | V27-I91 HydrophobicContact CB-CG2 4.29Å; V27-I91 HydrophobicContact CG1-CB 4.13Å; V27-I91 HydrophobicContact CG1-CD1 4.31Å; V27-I91 HydrophobicContact CG1-CG2 4.19Å; V27-I91 HydrophobicContact CG2-CD1 4.36Å; V27-I91 HydrophobicContact CG2-CG2 4.12Å; M87-I91 WeakPolarHBondContact O-CG1 3.41Å; M87-I91 PolarHBondContact O-N 2.84Å; L88-I91 PolarHBondContact O-N 3.2Å; V89-I91 PolarHBondContact O-N 2.92Å; I91-H94 PolarHBondContact O-N 2.97Å; I91-A95 PolarHBondContact O-N 3.42Å; I91-H178 HydrophobicContact CG1-CB 4.06Å; I91-P181 HydrophobicContact CD1-CG 3.95Å; I91-F185 HydrophobicContact CD1-CE2 4.49Å; I91-F185 HydrophobicContact CG2-CE2 4.21Å |
| 92 | I | 97 | Very high | 96.6 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 179.2 | -61.8 | 165.1 | 0 | 0 | 0 | 110.2 | V27 S28 A31 L88 V89 H94 A95 I96 | V27-I92 HydrophobicContact CG1-CD1 4.36Å; V27-I92 HydrophobicContact CG1-CG1 4.05Å; S28-I92 WeakPolarHBondContact OG-CG1 3.5Å; A31-I92 HydrophobicContact CB-CD1 4.02Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3Å; L88-I92 VanDerWaalsContact O-N 3.1Å; V89-I92 PolarHBondContact O-N 3.3Å; I92-H94 VanDerWaalsContact C-N 3.34Å; I92-H94 PolarHBondContact O-N 3.04Å; I92-A95 PolarHBondContact O-N 2.88Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 WeakPolarHBondContact O-CG1 3.38Å; I92-I96 PolarHBondContact O-N 3.37Å |
| 93 | M | 97.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 44.8 Ų | 44.8 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 178.6 | -73 | -57.8 | -60.2 | 0 | 0 | 112.3 | V89 A90 A95 I96 I97 | V89-M93 HydrophobicContact CG1-CG 4.22Å; V89-M93 WeakPolarHBondContact O-CB 3.3Å; V89-M93 WeakPolarHBondContact O-CG 3.27Å; V89-M93 PolarHBondContact O-N 2.99Å; A90-M93 PolarHBondContact O-N 3.19Å; M93-A95 PolarHBondContact O-N 3.46Å; M93-I96 PolarHBondContact O-N 3.22Å; M93-I96 HydrophobicContact SD-CD1 4.44Å; M93-I97 VanDerWaalsContact O-CG1 3.3Å; M93-I97 WeakPolarHBondContact O-CG1 3.45Å; M93-I97 PolarHBondContact O-N 3.16Å |
| 94 | H | 97 | Very high | 95.9 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 176.3 | -178.1 | 105.3 | 0 | 0 | 0 | 111.2 | A90 I91 I92 I97 Q98 Q124 H178 E182 Q186 | A90-H94 VanDerWaalsContact O-CB 3.27Å; A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.35Å; I91-H94 PolarHBondContact O-N 2.97Å; I92-H94 VanDerWaalsContact C-N 3.34Å; I92-H94 PolarHBondContact O-N 3.04Å; H94-I97 PolarHBondContact O-N 3.1Å; H94-Q98 WeakPolarHBondContact O-CB 3.27Å; H94-Q98 PolarHBondContact O-N 3.41Å; H94-Q124 VanDerWaalsContact CE1-CG 3.45Å; H94-Q124 WeakPolarHBondContact CE1-CG 3.4Å; H94-Q124 PolarHBondContact O-NE2 3.13Å; H94-H178 AromaticContact CG-NE2 3.77Å; H94-H178 AromaticContact ND1-NE2 3.37Å; H94-H178 PolarHBondContact ND1-NE2 3.46Å; H94-E182 IonicContact CD2-OE1 3Å; H94-E182 PolarHBondContact CD2-OE1 3.01Å; H94-E182 IonicContact CD2-OE2 3.79Å; H94-E182 IonicContact CE1-OE1 3.85Å; H94-E182 IonicContact NE2-OE1 3.22Å; H94-E182 PolarHBondContact NE2-OE1 3.31Å; H94-Q186 PolarHBondContact CE1-NE2 3.17Å; H94-Q186 PolarHBondContact NE2-NE2 3.41Å |
| 95 | A | 95.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A24 I91 I92 M93 Q98 E99 | A24-A95 HydrophobicContact CB-CB 3.46Å; A24-A95 VanDerWaalsContact CB-CB 3.46Å; I91-A95 PolarHBondContact O-N 3.42Å; I92-A95 PolarHBondContact O-N 2.88Å; M93-A95 PolarHBondContact O-N 3.46Å; A95-Q98 WeakPolarHBondContact O-CB 3.42Å; A95-Q98 PolarHBondContact O-N 2.82Å; A95-E99 WeakPolarHBondContact O-CB 3.5Å; A95-E99 PolarHBondContact O-N 2.86Å |
| 96 | I | 95.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 176.6 | -69.7 | 168.7 | 0 | 0 | 0 | 110.8 | I92 M93 Q98 E99 Y100 | I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 WeakPolarHBondContact O-CG1 3.38Å; I92-I96 PolarHBondContact O-N 3.37Å; M93-I96 PolarHBondContact O-N 3.22Å; M93-I96 HydrophobicContact SD-CD1 4.44Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 3.05Å; I96-E99 PolarHBondContact O-N 3.48Å; I96-Y100 HydrophobicContact CB-CD2 4.47Å; I96-Y100 HydrophobicContact CG2-CD2 3.93Å; I96-Y100 WeakPolarHBondContact O-CB 3.36Å; I96-Y100 WeakPolarHBondContact O-CD2 3.29Å; I96-Y100 PolarHBondContact O-N 3.32Å |
| 97 | I | 96.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -61.4 | -39.8 | 177.7 | -67.5 | 166.9 | 0 | 0 | 0 | 110.2 | M93 H94 V101 L102 A127 | M93-I97 VanDerWaalsContact O-CG1 3.3Å; M93-I97 WeakPolarHBondContact O-CG1 3.45Å; M93-I97 PolarHBondContact O-N 3.16Å; H94-I97 PolarHBondContact O-N 3.1Å; I97-V101 VanDerWaalsContact O-CB 3.3Å; I97-V101 WeakPolarHBondContact O-CB 3.45Å; I97-V101 PolarHBondContact O-N 3.46Å; I97-V101 VanDerWaalsContact O-N 3.16Å; I97-L102 HydrophobicContact CG2-CD1 4.23Å; I97-L102 HydrophobicContact CG2-CG 4.23Å; I97-L102 PolarHBondContact O-N 2.94Å; I97-A127 HydrophobicContact CD1-CB 4.21Å; I97-A127 HydrophobicContact CG2-CB 4.44Å |
| 98 | Q | 94.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -61.1 | -53.6 | 179.2 | -168.9 | 56.7 | 53.5 | 0 | 0 | 111.3 | H94 A95 I96 L102 D103 N120 Q124 | H94-Q98 WeakPolarHBondContact O-CB 3.27Å; H94-Q98 PolarHBondContact O-N 3.41Å; A95-Q98 WeakPolarHBondContact O-CB 3.42Å; A95-Q98 PolarHBondContact O-N 2.82Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 3.05Å; Q98-L102 PolarHBondContact O-N 3.42Å; Q98-D103 PolarHBondContact NE2-OD1 2.89Å; Q98-D103 WeakPolarHBondContact O-CB 3.34Å; Q98-D103 VanDerWaalsContact O-CG 3.29Å; Q98-D103 PolarHBondContact O-N 3.23Å; Q98-N120 PolarHBondContact NE2-ND2 3.22Å; Q98-N120 PolarHBondContact NE2-OD1 3.24Å; Q98-Q124 VanDerWaalsContact OE1-NE2 3.07Å |
| 99 | E | 92.6 | Very high | 92.7 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -72.9 | -49.8 | -172.7 | -177.1 | 176.9 | 178.2 | 0 | 0 | 112.6 | A95 I96 | A95-E99 WeakPolarHBondContact O-CB 3.5Å; A95-E99 PolarHBondContact O-N 2.86Å; I96-E99 PolarHBondContact O-N 3.48Å |
| 100 | Y | 93.2 | Very high | 91.8 | Very high | 153 Ų | 153 | 71 Ų | 71 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | I | π-helix | trans | -85.5 | -27.6 | -169.8 | -70.2 | -77.2 | 0 | 0 | 0 | 113.4 | I96 | I96-Y100 HydrophobicContact CB-CD2 4.47Å; I96-Y100 HydrophobicContact CG2-CD2 3.93Å; I96-Y100 WeakPolarHBondContact O-CB 3.36Å; I96-Y100 WeakPolarHBondContact O-CD2 3.29Å; I96-Y100 PolarHBondContact O-N 3.32Å |
| 101 | V | 94 | Very high | 91 | Very high | 74 Ų | 74 | 72 Ų | 72 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -107.5 | -66.1 | -177.3 | -173 | 0 | 0 | 0 | 0 | 110.9 | I97 K104 I105 | I97-V101 VanDerWaalsContact O-CB 3.3Å; I97-V101 WeakPolarHBondContact O-CB 3.45Å; I97-V101 PolarHBondContact O-N 3.46Å; I97-V101 VanDerWaalsContact O-N 3.16Å; V101-K104 PolarHBondContact O-N 2.69Å; V101-I105 HydrophobicContact CG1-CD1 4.05Å; V101-I105 WeakPolarHBondContact O-CG1 3.4Å; V101-I105 PolarHBondContact O-N 3.05Å; V101-I105 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 93.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 75.4 Ų | 75.4 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -69.9 | -47.9 | -166.6 | -60.3 | 179.8 | 0 | 0 | 0 | 112.4 | I97 Q98 K104 I105 N106 F119 Q124 | I97-L102 HydrophobicContact CG2-CD1 4.23Å; I97-L102 HydrophobicContact CG2-CG 4.23Å; I97-L102 PolarHBondContact O-N 2.94Å; Q98-L102 PolarHBondContact O-N 3.42Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 3.38Å; L102-I105 PolarHBondContact O-N 2.85Å; L102-I105 VanDerWaalsContact O-N 3.14Å; L102-N106 PolarHBondContact O-N 3.19Å; L102-N106 PolarHBondContact O-ND2 3.49Å; L102-F119 HydrophobicContact CD2-CE1 4.27Å; L102-Q124 HydrophobicContact CD1-CG 3.62Å |
| 103 | D | 90.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -32.5 | 179.3 | -73.8 | -6.8 | 0 | 0 | 0 | 111.6 | Q98 N106 R107 | Q98-D103 PolarHBondContact NE2-OD1 2.89Å; Q98-D103 WeakPolarHBondContact O-CB 3.34Å; Q98-D103 VanDerWaalsContact O-CG 3.29Å; Q98-D103 PolarHBondContact O-N 3.23Å; D103-N106 PolarHBondContact O-N 3.47Å; D103-R107 WeakPolarHBondContact O-CB 3.33Å; D103-R107 VanDerWaalsContact O-CG 3.29Å; D103-R107 WeakPolarHBondContact O-CG 3.36Å; D103-R107 PolarHBondContact O-N 2.87Å |
| 104 | K | 89.8 | Confident | 89 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 52% | 0.522 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 174.4 | -164.7 | 169.6 | -174.7 | 174.3 | 0 | 112 | V101 L102 | V101-K104 PolarHBondContact O-N 2.69Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 3.38Å |
| 105 | I | 88.6 | Confident | 88.5 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.2 | -43.8 | 174.7 | -65.3 | 165 | 0 | 0 | 0 | 110.7 | V101 L102 R107 K108 K109 F119 | V101-I105 HydrophobicContact CG1-CD1 4.05Å; V101-I105 WeakPolarHBondContact O-CG1 3.4Å; V101-I105 PolarHBondContact O-N 3.05Å; V101-I105 VanDerWaalsContact O-N 3.09Å; L102-I105 PolarHBondContact O-N 2.85Å; L102-I105 VanDerWaalsContact O-N 3.14Å; I105-R107 PolarHBondContact O-N 3.26Å; I105-K108 WeakPolarHBondContact O-CB 3.14Å; I105-K108 PolarHBondContact O-N 2.91Å; I105-K108 VanDerWaalsContact O-N 3.1Å; I105-K109 HydrophobicContact CG2-CG 4.44Å; I105-K109 PolarHBondContact O-N 3.14Å; I105-F119 HydrophobicContact CB-CE1 4.35Å; I105-F119 HydrophobicContact CB-CZ 4.43Å; I105-F119 HydrophobicContact CG2-CE1 3.99Å; I105-F119 HydrophobicContact CG2-CZ 3.67Å |
| 106 | N | 86.6 | Confident | 88.1 | Confident | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.032 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | -180 | -75.3 | -30.5 | 0 | 0 | 0 | 113 | L102 D103 K108 K109 H110 F111 H116 F119 N120 | L102-N106 PolarHBondContact O-N 3.19Å; L102-N106 PolarHBondContact O-ND2 3.49Å; D103-N106 PolarHBondContact O-N 3.47Å; N106-K108 PolarHBondContact O-N 3.09Å; N106-K109 PolarHBondContact O-N 3.48Å; N106-K109 VanDerWaalsContact O-N 3.17Å; N106-H110 PolarHBondContact O-N 2.92Å; N106-F111 WeakPolarHBondContact OD1-CD2 3.44Å; N106-H116 WeakPolarHBondContact CB-NE2 3.43Å; N106-H116 VanDerWaalsContact CG-CD2 3.47Å; N106-H116 PolarHBondContact ND2-CD2 2.96Å; N106-H116 PolarHBondContact ND2-NE2 3.42Å; N106-H116 VanDerWaalsContact ND2-NE2 3.13Å; N106-F119 WeakPolarHBondContact OD1-CD1 3.44Å; N106-N120 PolarHBondContact ND2-OD1 3.14Å |
| 107 | R | 85.6 | Confident | 87.7 | Confident | 155 Ų | 155 | 86.2 Ų | 86.2 | 59% | 0.585 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.2 | -30.8 | 175.4 | -76.7 | -172.4 | -65.5 | -94.8 | 5.7 | 112.5 | D103 I105 | D103-R107 WeakPolarHBondContact O-CB 3.33Å; D103-R107 VanDerWaalsContact O-CG 3.29Å; D103-R107 WeakPolarHBondContact O-CG 3.36Å; D103-R107 PolarHBondContact O-N 2.87Å; I105-R107 PolarHBondContact O-N 3.26Å |
| 108 | K | 85.5 | Confident | 87.4 | Confident | 160 Ų | 160 | 88.8 Ų | 88.8 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -80.8 | -30.1 | 177.6 | -67.6 | -179.6 | 178.3 | -173.4 | 0 | 113.9 | I105 N106 | I105-K108 WeakPolarHBondContact O-CB 3.14Å; I105-K108 PolarHBondContact O-N 2.91Å; I105-K108 VanDerWaalsContact O-N 3.1Å; N106-K108 PolarHBondContact O-N 3.09Å |
| 109 | K | 79.3 | Confident | 87.3 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 46% | 0.461 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -101.4 | -3.8 | -169 | -70.3 | -72.8 | -171.8 | 175 | 0 | 114.8 | I105 N106 F111 S242 | I105-K109 HydrophobicContact CG2-CG 4.44Å; I105-K109 PolarHBondContact O-N 3.14Å; N106-K109 PolarHBondContact O-N 3.48Å; N106-K109 VanDerWaalsContact O-N 3.17Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 HydrophobicContact CB-CD1 4.18Å; K109-F111 HydrophobicContact CB-CD2 4.2Å; K109-F111 HydrophobicContact CB-CE1 3.73Å; K109-F111 HydrophobicContact CB-CE2 3.75Å; K109-F111 HydrophobicContact CB-CG 4.4Å; K109-F111 HydrophobicContact CB-CZ 3.51Å; K109-F111 HydrophobicContact CG-CE1 4.49Å; K109-F111 HydrophobicContact CG-CE2 4.4Å; K109-F111 HydrophobicContact CG-CZ 3.99Å; K109-F111 PolarHBondContact O-N 3.3Å; K109-S242 PolarHBondContact NZ-OG 2.93Å |
| 110 | H | 80.6 | Confident | 87.4 | Confident | 170 Ų | 170 | 83.9 Ų | 83.9 | 79% | 0.787 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 49.6 | 175.4 | -64.9 | -73.2 | 0 | 0 | 0 | 114.4 | N106 | N106-H110 PolarHBondContact O-N 2.92Š|
| 111 | F | 81.7 | Confident | 87.4 | Confident | 36 Ų | 36 | 79.4 Ų | 79.4 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | trans | -69.1 | 152.7 | -179.8 | -65.2 | -42.6 | 0 | 0 | 0 | 113.2 | N106 K109 K115 H116 F119 F241 | N106-F111 WeakPolarHBondContact OD1-CD2 3.44Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 HydrophobicContact CB-CD1 4.18Å; K109-F111 HydrophobicContact CB-CD2 4.2Å; K109-F111 HydrophobicContact CB-CE1 3.73Å; K109-F111 HydrophobicContact CB-CE2 3.75Å; K109-F111 HydrophobicContact CB-CG 4.4Å; K109-F111 HydrophobicContact CB-CZ 3.51Å; K109-F111 HydrophobicContact CG-CE1 4.49Å; K109-F111 HydrophobicContact CG-CE2 4.4Å; K109-F111 HydrophobicContact CG-CZ 3.99Å; K109-F111 PolarHBondContact O-N 3.3Å; F111-K115 HydrophobicContact CB-CB 4.17Å; F111-K115 HydrophobicContact CB-CD 4.49Å; F111-K115 HydrophobicContact CB-CG 4.21Å; F111-K115 HydrophobicContact CD1-CD 3.79Å; F111-K115 HydrophobicContact CD1-CG 4.13Å; F111-K115 HydrophobicContact CE1-CD 4.3Å; F111-K115 HydrophobicContact CG-CD 4.29Å; F111-K115 HydrophobicContact CG-CG 4.13Å; F111-H116 HydrophobicContact CB-CB 4.31Å; F111-F119 HydrophobicContact CD2-CB 4.43Å; F111-F119 HydrophobicContact CD2-CD2 4.43Å; F111-F119 HydrophobicContact CD2-CG 4.32Å; F111-F119 HydrophobicContact CE2-CB 4.42Å; F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 AromaticContact CE2-CD2 3.63Å; F111-F119 HydrophobicContact CE2-CD2 3.63Å; F111-F119 AromaticContact CE2-CE2 3.95Å; F111-F119 HydrophobicContact CE2-CE2 3.95Å; F111-F119 AromaticContact CE2-CG 3.89Å; F111-F119 HydrophobicContact CE2-CG 3.89Å; F111-F119 HydrophobicContact CE2-CZ 4.48Å; F111-F119 HydrophobicContact CZ-CD2 4.21Å; F111-F119 HydrophobicContact CZ-CE2 4.37Å; F111-F241 WeakPolarHBondContact CE1-O 3.48Å; F111-F241 HydrophobicContact CZ-CB 4.48Å | ||
| 112 | S | 84.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 75.9 Ų | 75.9 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | trans | -61.6 | 155.5 | 167.7 | 73 | 0 | 0 | 0 | 0 | 111 | T114 K115 H116 | S112-T114 VanDerWaalsContact C-N 3.25Å; S112-T114 PolarHBondContact O-N 2.61Å; S112-T114 VanDerWaalsContact O-N 3.15Å; S112-K115 PolarHBondContact O-N 2.91Å; S112-K115 WeakPolarHBondContact OG-CB 3.36Å; S112-K115 PolarHBondContact OG-N 2.82Å; S112-H116 WeakPolarHBondContact O-CB 3.45Å; S112-H116 PolarHBondContact O-N 3.36Å | ||
| 113 | K | 82.6 | Confident | 87.7 | Confident | 178 Ų | 178 | 75.8 Ų | 75.8 | 77% | 0.774 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -52.6 | -41.4 | -177.2 | -171.3 | 175.8 | -178 | 178 | 0 | 113.3 | S117 | K113-S117 PolarHBondContact O-N 3.47Å |
| 114 | T | 82.3 | Confident | 88 | Confident | 97 Ų | 97 | 74 Ų | 74 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.9 | -41.2 | 178.8 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | S112 K118 | S112-T114 VanDerWaalsContact C-N 3.25Å; S112-T114 PolarHBondContact O-N 2.61Å; S112-T114 VanDerWaalsContact O-N 3.15Å; T114-K118 HydrophobicContact CG2-CD 4.44Å; T114-K118 WeakPolarHBondContact O-CG 3.44Å; T114-K118 PolarHBondContact O-N 3.37Å |
| 115 | K | 85.4 | Confident | 88.4 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 178.1 | -172.5 | 169 | -177.8 | 171.3 | 0 | 110.8 | F111 S112 K118 F119 F241 E244 | F111-K115 HydrophobicContact CB-CB 4.17Å; F111-K115 HydrophobicContact CB-CD 4.49Å; F111-K115 HydrophobicContact CB-CG 4.21Å; F111-K115 HydrophobicContact CD1-CD 3.79Å; F111-K115 HydrophobicContact CD1-CG 4.13Å; F111-K115 HydrophobicContact CE1-CD 4.3Å; F111-K115 HydrophobicContact CG-CD 4.29Å; F111-K115 HydrophobicContact CG-CG 4.13Å; S112-K115 PolarHBondContact O-N 2.91Å; S112-K115 WeakPolarHBondContact OG-CB 3.36Å; S112-K115 PolarHBondContact OG-N 2.82Å; K115-K118 PolarHBondContact O-N 2.95Å; K115-F119 VanDerWaalsContact O-CB 3.25Å; K115-F119 WeakPolarHBondContact O-CB 3.12Å; K115-F119 PolarHBondContact O-N 2.95Å; K115-F241 HydrophobicContact CD-CD1 4.25Å; K115-F241 VanDerWaalsContact CE-CA 3.47Å; K115-F241 WeakPolarHBondContact CE-O 3.3Å; K115-F241 HydrophobicContact CG-CB 4.44Å; K115-F241 HydrophobicContact CG-CD1 3.92Å; K115-F241 HydrophobicContact CG-CE1 4.27Å; K115-F241 HydrophobicContact CG-CG 4.07Å; K115-F241 PolarHBondContact NZ-O 2.87Å; K115-E244 IonicContact NZ-OE1 2.87Å; K115-E244 PolarHBondContact NZ-OE1 3.44Å |
| 116 | H | 87.3 | Confident | 88.8 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -53.4 | 175.2 | -176.3 | -78.3 | 0 | 0 | 0 | 112.7 | N106 F111 S112 K118 F119 N120 | N106-H116 WeakPolarHBondContact CB-NE2 3.43Å; N106-H116 VanDerWaalsContact CG-CD2 3.47Å; N106-H116 PolarHBondContact ND2-CD2 2.96Å; N106-H116 PolarHBondContact ND2-NE2 3.42Å; N106-H116 VanDerWaalsContact ND2-NE2 3.13Å; F111-H116 HydrophobicContact CB-CB 4.31Å; S112-H116 WeakPolarHBondContact O-CB 3.45Å; S112-H116 PolarHBondContact O-N 3.36Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.45Å; H116-F119 PolarHBondContact O-N 3.1Å; H116-F119 VanDerWaalsContact O-N 3.16Å; H116-N120 PolarHBondContact CE1-ND2 2.9Å; H116-N120 VanDerWaalsContact CE1-ND2 3.28Å; H116-N120 PolarHBondContact O-N 3.46Å |
| 117 | S | 87.8 | Confident | 89.3 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 53% | 0.531 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 179 | 167.3 | 0 | 0 | 0 | 0 | 112 | K113 F119 N120 E121 | K113-S117 PolarHBondContact O-N 3.47Å; S117-F119 PolarHBondContact O-N 3.39Å; S117-N120 PolarHBondContact O-N 3.34Å; S117-E121 PolarHBondContact O-N 3.41Å; S117-E121 VanDerWaalsContact O-N 3.09Å |
| 118 | K | 90.4 | Very high | 89.9 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -33.7 | 176.8 | -72.6 | -176.4 | 171.7 | -174.8 | 0 | 113.3 | T114 K115 H116 S122 R237 F241 | T114-K118 HydrophobicContact CG2-CD 4.44Å; T114-K118 WeakPolarHBondContact O-CG 3.44Å; T114-K118 PolarHBondContact O-N 3.37Å; K115-K118 PolarHBondContact O-N 2.95Å; H116-K118 VanDerWaalsContact C-N 3.32Å; H116-K118 PolarHBondContact O-N 3.45Å; K118-S122 WeakPolarHBondContact O-CB 3.45Å; K118-S122 PolarHBondContact O-N 3.19Å; K118-S122 VanDerWaalsContact O-N 3.1Å; K118-R237 VanDerWaalsContact CB-NH2 3.29Å; K118-R237 VanDerWaalsContact CD-NH2 3.32Å; K118-F241 HydrophobicContact CB-CE2 3.76Å; K118-F241 HydrophobicContact CB-CZ 3.72Å; K118-F241 HydrophobicContact CD-CZ 4.34Å |
| 119 | F | 93 | Very high | 90.6 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 175.7 | -177.6 | -84.5 | 0 | 0 | 0 | 110.4 | L102 I105 N106 F111 K115 H116 S117 S122 G123 L238 F241 | L102-F119 HydrophobicContact CD2-CE1 4.27Å; I105-F119 HydrophobicContact CB-CE1 4.35Å; I105-F119 HydrophobicContact CB-CZ 4.43Å; I105-F119 HydrophobicContact CG2-CE1 3.99Å; I105-F119 HydrophobicContact CG2-CZ 3.67Å; N106-F119 WeakPolarHBondContact OD1-CD1 3.44Å; F111-F119 HydrophobicContact CD2-CB 4.43Å; F111-F119 HydrophobicContact CD2-CD2 4.43Å; F111-F119 HydrophobicContact CD2-CG 4.32Å; F111-F119 HydrophobicContact CE2-CB 4.42Å; F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 AromaticContact CE2-CD2 3.63Å; F111-F119 HydrophobicContact CE2-CD2 3.63Å; F111-F119 AromaticContact CE2-CE2 3.95Å; F111-F119 HydrophobicContact CE2-CE2 3.95Å; F111-F119 AromaticContact CE2-CG 3.89Å; F111-F119 HydrophobicContact CE2-CG 3.89Å; F111-F119 HydrophobicContact CE2-CZ 4.48Å; F111-F119 HydrophobicContact CZ-CD2 4.21Å; F111-F119 HydrophobicContact CZ-CE2 4.37Å; K115-F119 VanDerWaalsContact O-CB 3.25Å; K115-F119 WeakPolarHBondContact O-CB 3.12Å; K115-F119 PolarHBondContact O-N 2.95Å; H116-F119 PolarHBondContact O-N 3.1Å; H116-F119 VanDerWaalsContact O-N 3.16Å; S117-F119 PolarHBondContact O-N 3.39Å; F119-S122 PolarHBondContact O-N 3.23Å; F119-G123 PolarHBondContact O-N 3.1Å; F119-L238 HydrophobicContact CD1-CD2 4.34Å; F119-L238 HydrophobicContact CD2-CD2 3.56Å; F119-L238 HydrophobicContact CE1-CD2 4.3Å; F119-L238 HydrophobicContact CE2-CB 4.44Å; F119-L238 HydrophobicContact CE2-CD2 3.5Å; F119-L238 VanDerWaalsContact CE2-CD2 3.5Å; F119-L238 HydrophobicContact CG-CD2 3.98Å; F119-L238 HydrophobicContact CZ-CD2 3.88Å; F119-L238 WeakPolarHBondContact O-CD2 3.47Å; F119-F241 HydrophobicContact CB-CD2 4Å; F119-F241 HydrophobicContact CB-CE2 4.4Å; F119-F241 HydrophobicContact CD2-CB 4.11Å; F119-F241 AromaticContact CD2-CD2 3.99Å; F119-F241 HydrophobicContact CD2-CD2 3.99Å; F119-F241 HydrophobicContact CG-CD2 4.5Å |
| 120 | N | 93.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 176.6 | -75.6 | -4.7 | 0 | 0 | 0 | 112.4 | Q98 N106 H116 S117 S122 G123 Q124 | Q98-N120 PolarHBondContact NE2-ND2 3.22Å; Q98-N120 PolarHBondContact NE2-OD1 3.24Å; N106-N120 PolarHBondContact ND2-OD1 3.14Å; H116-N120 PolarHBondContact CE1-ND2 2.9Å; H116-N120 VanDerWaalsContact CE1-ND2 3.28Å; H116-N120 PolarHBondContact O-N 3.46Å; S117-N120 PolarHBondContact O-N 3.34Å; N120-S122 PolarHBondContact O-N 3.43Å; N120-G123 PolarHBondContact O-N 2.65Å; N120-G123 VanDerWaalsContact O-N 3.1Å; N120-Q124 WeakPolarHBondContact O-CG 3.37Å; N120-Q124 PolarHBondContact O-N 3.29Å |
| 121 | E | 93.3 | Very high | 92.3 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.3 | -50.6 | 176 | -179.6 | -173.7 | -154.4 | 0 | 0 | 111.1 | S117 G123 L125 R237 | S117-E121 PolarHBondContact O-N 3.41Å; S117-E121 VanDerWaalsContact O-N 3.09Å; E121-G123 VanDerWaalsContact C-N 3.32Å; E121-G123 PolarHBondContact O-N 3.44Å; E121-L125 HydrophobicContact CG-CD1 4.14Å; E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 WeakPolarHBondContact O-CG 3.36Å; E121-L125 PolarHBondContact O-N 3.17Å; E121-L125 VanDerWaalsContact O-N 3.12Å; E121-R237 IonicContact OE2-NH2 3.94Å |
| 122 | S | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 176.4 | -89 | 0 | 0 | 0 | 0 | 113.4 | K118 F119 N120 S126 H234 R237 | K118-S122 WeakPolarHBondContact O-CB 3.45Å; K118-S122 PolarHBondContact O-N 3.19Å; K118-S122 VanDerWaalsContact O-N 3.1Å; F119-S122 PolarHBondContact O-N 3.23Å; N120-S122 PolarHBondContact O-N 3.43Å; S122-S126 WeakPolarHBondContact O-CB 3.39Å; S122-S126 PolarHBondContact O-N 3.18Å; S122-S126 PolarHBondContact O-OG 3.42Å; S122-S126 VanDerWaalsContact O-OG 3.08Å; S122-H234 WeakPolarHBondContact CA-ND1 3.49Å; S122-H234 PolarHBondContact OG-ND1 3.46Å; S122-R237 WeakPolarHBondContact OG-CD 3.47Å |
| 123 | G | 96.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F119 N120 E121 S126 A127 | F119-G123 PolarHBondContact O-N 3.1Å; N120-G123 PolarHBondContact O-N 2.65Å; N120-G123 VanDerWaalsContact O-N 3.1Å; E121-G123 VanDerWaalsContact C-N 3.32Å; E121-G123 PolarHBondContact O-N 3.44Å; G123-S126 PolarHBondContact O-N 3.21Å; G123-A127 PolarHBondContact O-N 2.89Å |
| 124 | Q | 97.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 176.9 | -69 | -67.9 | 2.3 | 0 | 0 | 111.3 | H94 Q98 L102 N120 S126 A127 F128 | H94-Q124 VanDerWaalsContact CE1-CG 3.45Å; H94-Q124 WeakPolarHBondContact CE1-CG 3.4Å; H94-Q124 PolarHBondContact O-NE2 3.13Å; Q98-Q124 VanDerWaalsContact OE1-NE2 3.07Å; L102-Q124 HydrophobicContact CD1-CG 3.62Å; N120-Q124 WeakPolarHBondContact O-CG 3.37Å; N120-Q124 PolarHBondContact O-N 3.29Å; Q124-S126 PolarHBondContact O-N 3.39Å; Q124-A127 PolarHBondContact O-N 3.29Å; Q124-F128 PolarHBondContact O-N 2.99Å |
| 125 | L | 97.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 180 | -72.1 | 170.7 | 0 | 0 | 0 | 112.1 | E121 A127 F128 Y129 W176 H234 | E121-L125 HydrophobicContact CG-CD1 4.14Å; E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 WeakPolarHBondContact O-CG 3.36Å; E121-L125 PolarHBondContact O-N 3.17Å; E121-L125 VanDerWaalsContact O-N 3.12Å; L125-A127 PolarHBondContact O-N 2.75Å; L125-F128 PolarHBondContact O-N 3.42Å; L125-Y129 HydrophobicContact CB-CD2 4.13Å; L125-Y129 HydrophobicContact CB-CE2 3.85Å; L125-Y129 HydrophobicContact CD2-CE2 4.11Å; L125-Y129 HydrophobicContact CG-CE2 4.45Å; L125-Y129 WeakPolarHBondContact O-CB 3.36Å; L125-Y129 WeakPolarHBondContact O-CD2 3.26Å; L125-Y129 VanDerWaalsContact O-CG 3.31Å; L125-Y129 PolarHBondContact O-N 3.49Å; L125-W176 HydrophobicContact CD2-CH2 4.27Å; L125-H234 WeakPolarHBondContact CD1-CE1 3.49Å |
| 126 | S | 98 | Very high | 95.9 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.1 | -79.6 | 0 | 0 | 0 | 0 | 112.5 | S122 G123 Q124 L130 L231 H234 V235 L238 | S122-S126 WeakPolarHBondContact O-CB 3.39Å; S122-S126 PolarHBondContact O-N 3.18Å; S122-S126 PolarHBondContact O-OG 3.42Å; S122-S126 VanDerWaalsContact O-OG 3.08Å; G123-S126 PolarHBondContact O-N 3.21Å; Q124-S126 PolarHBondContact O-N 3.39Å; S126-L130 WeakPolarHBondContact O-CB 3.29Å; S126-L130 PolarHBondContact O-N 2.77Å; S126-L231 WeakPolarHBondContact O-CD1 3.36Å; S126-H234 VanDerWaalsContact OG-C 3.29Å; S126-H234 WeakPolarHBondContact OG-CB 3.27Å; S126-V235 PolarHBondContact OG-N 3.35Å; S126-L238 WeakPolarHBondContact OG-CD1 3.18Å |
| 127 | A | 98 | Very high | 96.4 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I97 G123 Q124 L125 F131 | I97-A127 HydrophobicContact CD1-CB 4.21Å; I97-A127 HydrophobicContact CG2-CB 4.44Å; G123-A127 PolarHBondContact O-N 2.89Å; Q124-A127 PolarHBondContact O-N 3.29Å; L125-A127 PolarHBondContact O-N 2.75Å; A127-F131 PolarHBondContact O-N 2.99Å; A127-F131 VanDerWaalsContact O-N 3.17Å |
| 128 | F | 98.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -53.8 | 176.5 | 170.9 | -108.2 | 0 | 0 | 0 | 112.4 | Q124 L125 L130 F131 S132 Y175 W176 Y227 | Q124-F128 PolarHBondContact O-N 2.99Å; L125-F128 PolarHBondContact O-N 3.42Å; F128-L130 VanDerWaalsContact C-N 3.28Å; F128-L130 PolarHBondContact O-N 3.11Å; F128-F131 PolarHBondContact O-N 2.77Å; F128-S132 WeakPolarHBondContact CE2-OG 3.28Å; F128-S132 WeakPolarHBondContact O-CB 3.36Å; F128-S132 PolarHBondContact O-N 3.1Å; F128-S132 PolarHBondContact O-OG 2.91Å; F128-Y175 HydrophobicContact CB-CE1 4.13Å; F128-Y175 HydrophobicContact CB-CE2 3.71Å; F128-Y175 VanDerWaalsContact CB-CZ 3.46Å; F128-Y175 WeakPolarHBondContact CB-OH 3.34Å; F128-Y175 AromaticContact CD1-CD1 3.86Å; F128-Y175 HydrophobicContact CD1-CD1 3.86Å; F128-Y175 AromaticContact CD1-CE1 3.38Å; F128-Y175 HydrophobicContact CD1-CE1 3.38Å; F128-Y175 HydrophobicContact CD1-CE2 4.38Å; F128-Y175 AromaticContact CD1-CZ 3.67Å; F128-Y175 AromaticContact CD2-CD1 3.63Å; F128-Y175 HydrophobicContact CD2-CD1 3.63Å; F128-Y175 AromaticContact CD2-CD2 3.34Å; F128-Y175 HydrophobicContact CD2-CD2 3.34Å; F128-Y175 AromaticContact CD2-CE1 3.69Å; F128-Y175 HydrophobicContact CD2-CE1 3.69Å; F128-Y175 AromaticContact CD2-CE2 3.4Å; F128-Y175 HydrophobicContact CD2-CE2 3.4Å; F128-Y175 AromaticContact CD2-CG 3.46Å; F128-Y175 HydrophobicContact CD2-CG 3.46Å; F128-Y175 VanDerWaalsContact CD2-CG 3.46Å; F128-Y175 AromaticContact CD2-CZ 3.56Å; F128-Y175 AromaticContact CE1-CD1 3.6Å; F128-Y175 HydrophobicContact CE1-CD1 3.6Å; F128-Y175 AromaticContact CE1-CE1 3.56Å; F128-Y175 HydrophobicContact CE1-CE1 3.56Å; F128-Y175 HydrophobicContact CE1-CG 4.34Å; F128-Y175 AromaticContact CE2-CD1 3.35Å; F128-Y175 HydrophobicContact CE2-CD1 3.35Å; F128-Y175 AromaticContact CE2-CD2 3.62Å; F128-Y175 HydrophobicContact CE2-CD2 3.62Å; F128-Y175 AromaticContact CE2-CE1 3.86Å; F128-Y175 HydrophobicContact CE2-CE1 3.86Å; F128-Y175 HydrophobicContact CE2-CE2 4.09Å; F128-Y175 AromaticContact CE2-CG 3.21Å; F128-Y175 HydrophobicContact CE2-CG 3.21Å; F128-Y175 AromaticContact CG-CD1 3.87Å; F128-Y175 HydrophobicContact CG-CD1 3.87Å; F128-Y175 AromaticContact CG-CD2 3.98Å; F128-Y175 HydrophobicContact CG-CD2 3.98Å; F128-Y175 AromaticContact CG-CE1 3.43Å; F128-Y175 HydrophobicContact CG-CE1 3.43Å; F128-Y175 VanDerWaalsContact CG-CE1 3.43Å; F128-Y175 AromaticContact CG-CE2 3.56Å; F128-Y175 HydrophobicContact CG-CE2 3.56Å; F128-Y175 HydrophobicContact CG-CG 4.12Å; F128-Y175 AromaticContact CG-CZ 3.25Å; F128-Y175 AromaticContact CZ-CD1 3.32Å; F128-Y175 HydrophobicContact CZ-CD1 3.32Å; F128-Y175 HydrophobicContact CZ-CD2 4.44Å; F128-Y175 AromaticContact CZ-CE1 3.79Å; F128-Y175 HydrophobicContact CZ-CE1 3.79Å; F128-Y175 AromaticContact CZ-CG 3.7Å; F128-Y175 HydrophobicContact CZ-CG 3.7Å; F128-W176 HydrophobicContact CD1-CZ2 4.48Å; F128-W176 AromaticContact CE1-CZ2 3.76Å; F128-W176 HydrophobicContact CE1-CZ2 3.76Å; F128-W176 AromaticContact CE1-NE1 3.93Å; F128-W176 AromaticContact CZ-NE1 3.86Å; F128-Y227 HydrophobicContact CE1-CE1 4.28Å; F128-Y227 HydrophobicContact CE1-CE2 4.36Å; F128-Y227 HydrophobicContact CZ-CE2 4.3Å |
| 129 | Y | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -34 | -177.7 | -67.7 | -48.6 | 0 | 0 | 0 | 112.6 | L125 F133 W176 Y203 Y227 E230 H234 | L125-Y129 HydrophobicContact CB-CD2 4.13Å; L125-Y129 HydrophobicContact CB-CE2 3.85Å; L125-Y129 HydrophobicContact CD2-CE2 4.11Å; L125-Y129 HydrophobicContact CG-CE2 4.45Å; L125-Y129 WeakPolarHBondContact O-CB 3.36Å; L125-Y129 WeakPolarHBondContact O-CD2 3.26Å; L125-Y129 VanDerWaalsContact O-CG 3.31Å; L125-Y129 PolarHBondContact O-N 3.49Å; Y129-F133 WeakPolarHBondContact O-CB 3.19Å; Y129-F133 PolarHBondContact O-N 3.44Å; Y129-W176 HydrophobicContact CE1-CZ2 4.08Å; Y129-Y203 PolarHBondContact OH-OH 3.12Å; Y129-Y227 AromaticContact CD1-CD1 3.39Å; Y129-Y227 HydrophobicContact CD1-CD1 3.39Å; Y129-Y227 HydrophobicContact CD1-CD2 4.49Å; Y129-Y227 HydrophobicContact CD1-CE1 4.01Å; Y129-Y227 AromaticContact CD1-CG 3.7Å; Y129-Y227 HydrophobicContact CD1-CG 3.7Å; Y129-Y227 AromaticContact CE1-CD1 3.35Å; Y129-Y227 HydrophobicContact CE1-CD1 3.35Å; Y129-Y227 AromaticContact CE1-CE1 3.64Å; Y129-Y227 HydrophobicContact CE1-CE1 3.64Å; Y129-Y227 HydrophobicContact CE1-CG 4.14Å; Y129-E230 HydrophobicContact CD1-CB 4.38Å; Y129-E230 HydrophobicContact CD2-CB 3.78Å; Y129-E230 HydrophobicContact CE1-CB 4.12Å; Y129-E230 HydrophobicContact CE2-CB 3.48Å; Y129-E230 VanDerWaalsContact CE2-CB 3.48Å; Y129-E230 HydrophobicContact CE2-CG 4.38Å; Y129-E230 HydrophobicContact CG-CB 4.24Å; Y129-H234 AromaticContact CD2-CD2 3.84Å; Y129-H234 AromaticContact CE2-CD2 3.54Å; Y129-H234 AromaticContact CE2-NE2 3.78Å |
| 130 | L | 98.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -50.1 | 175.5 | 177.4 | 62.6 | 0 | 0 | 0 | 110.9 | S126 F128 A134 L231 | S126-L130 WeakPolarHBondContact O-CB 3.29Å; S126-L130 PolarHBondContact O-N 2.77Å; F128-L130 VanDerWaalsContact C-N 3.28Å; F128-L130 PolarHBondContact O-N 3.11Å; L130-A134 WeakPolarHBondContact O-CB 3.33Å; L130-A134 PolarHBondContact O-N 3.14Å; L130-L231 HydrophobicContact CB-CD1 3.89Å; L130-L231 HydrophobicContact CB-CD2 4.29Å; L130-L231 HydrophobicContact CD1-CD2 4Å |
| 131 | F | 98.4 | Very high | 97.2 | Very high | 131 Ų | 131 | 37.4 Ų | 37.4 | 58% | 0.575 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.7 | -48.9 | 179.7 | 179.6 | -102.4 | 0 | 0 | 0 | 111.5 | A127 F128 F133 A134 W135 | A127-F131 PolarHBondContact O-N 2.99Å; A127-F131 VanDerWaalsContact O-N 3.17Å; F128-F131 PolarHBondContact O-N 2.77Å; F131-F133 PolarHBondContact O-N 3.03Å; F131-A134 PolarHBondContact O-N 3.48Å; F131-W135 HydrophobicContact CD1-CE3 4.33Å; F131-W135 HydrophobicContact CE1-CD2 4.49Å; F131-W135 AromaticContact CE1-CE3 3.44Å; F131-W135 HydrophobicContact CE1-CE3 3.44Å; F131-W135 VanDerWaalsContact CE1-CE3 3.44Å; F131-W135 AromaticContact CE1-CZ3 3.84Å; F131-W135 HydrophobicContact CE1-CZ3 3.84Å; F131-W135 AromaticContact CZ-CE3 3.79Å; F131-W135 HydrophobicContact CZ-CE3 3.79Å; F131-W135 HydrophobicContact CZ-CZ3 4.23Å; F131-W135 WeakPolarHBondContact O-CB 3.48Å; F131-W135 PolarHBondContact O-N 2.98Å |
| 132 | S | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | F128 G136 F168 Q172 | F128-S132 WeakPolarHBondContact CE2-OG 3.28Å; F128-S132 WeakPolarHBondContact O-CB 3.36Å; F128-S132 PolarHBondContact O-N 3.1Å; F128-S132 PolarHBondContact O-OG 2.91Å; S132-G136 PolarHBondContact O-N 3.36Å; S132-F168 WeakPolarHBondContact O-CE2 3.46Å; S132-Q172 PolarHBondContact OG-NE2 2.87Å; S132-Q172 PolarHBondContact OG-OE1 3.39Å |
| 133 | F | 98.5 | Very high | 96.7 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.232 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 174 | 170 | -109.3 | 0 | 0 | 0 | 111.4 | Y129 F131 T137 V224 F228 L231 | Y129-F133 WeakPolarHBondContact O-CB 3.19Å; Y129-F133 PolarHBondContact O-N 3.44Å; F131-F133 PolarHBondContact O-N 3.03Å; F133-T137 WeakPolarHBondContact CE2-OG1 3.3Å; F133-T137 VanDerWaalsContact O-CB 3.26Å; F133-T137 WeakPolarHBondContact O-CB 3.32Å; F133-T137 PolarHBondContact O-N 3.24Å; F133-T137 PolarHBondContact O-OG1 3.12Å; F133-V224 HydrophobicContact CD2-CG1 3.75Å; F133-V224 HydrophobicContact CE2-CG1 3.77Å; F133-F228 HydrophobicContact CD1-CD2 4.35Å; F133-F228 HydrophobicContact CD2-CB 3.68Å; F133-F228 HydrophobicContact CD2-CD2 4.23Å; F133-F228 HydrophobicContact CD2-CG 4.37Å; F133-F228 AromaticContact CE1-CD2 3.91Å; F133-F228 HydrophobicContact CE1-CD2 3.91Å; F133-F228 HydrophobicContact CE1-CE2 4.46Å; F133-F228 HydrophobicContact CE2-CB 3.66Å; F133-F228 AromaticContact CE2-CD2 3.79Å; F133-F228 HydrophobicContact CE2-CD2 3.79Å; F133-F228 AromaticContact CE2-CG 3.97Å; F133-F228 HydrophobicContact CE2-CG 3.97Å; F133-F228 HydrophobicContact CG-CB 4.42Å; F133-F228 HydrophobicContact CZ-CB 4.38Å; F133-F228 AromaticContact CZ-CD2 3.61Å; F133-F228 HydrophobicContact CZ-CD2 3.61Å; F133-F228 HydrophobicContact CZ-CE2 4.25Å; F133-F228 HydrophobicContact CZ-CG 4.22Å; F133-L231 HydrophobicContact CD1-CD2 4.46Å |
| 134 | A | 98.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 45% | 0.446 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L130 F131 T137 N138 | L130-A134 WeakPolarHBondContact O-CB 3.33Å; L130-A134 PolarHBondContact O-N 3.14Å; F131-A134 PolarHBondContact O-N 3.48Å; A134-T137 PolarHBondContact O-N 3.26Å; A134-N138 WeakPolarHBondContact O-CB 3.45Å; A134-N138 PolarHBondContact O-N 3.43Å |
| 135 | W | 98.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 178.2 | -173.5 | 7.7 | 0 | 0 | 0 | 111.9 | F131 T137 N138 I139 F167 F168 C171 | F131-W135 HydrophobicContact CD1-CE3 4.33Å; F131-W135 HydrophobicContact CE1-CD2 4.49Å; F131-W135 AromaticContact CE1-CE3 3.44Å; F131-W135 HydrophobicContact CE1-CE3 3.44Å; F131-W135 VanDerWaalsContact CE1-CE3 3.44Å; F131-W135 AromaticContact CE1-CZ3 3.84Å; F131-W135 HydrophobicContact CE1-CZ3 3.84Å; F131-W135 AromaticContact CZ-CE3 3.79Å; F131-W135 HydrophobicContact CZ-CE3 3.79Å; F131-W135 HydrophobicContact CZ-CZ3 4.23Å; F131-W135 WeakPolarHBondContact O-CB 3.48Å; F131-W135 PolarHBondContact O-N 2.98Å; W135-T137 VanDerWaalsContact C-N 3.32Å; W135-T137 PolarHBondContact O-N 2.7Å; W135-N138 WeakPolarHBondContact O-CB 3.36Å; W135-N138 PolarHBondContact O-N 2.74Å; W135-N138 VanDerWaalsContact O-N 3.15Å; W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.36Å; W135-F167 AromaticContact CH2-CD1 3.4Å; W135-F167 HydrophobicContact CH2-CD1 3.4Å; W135-F167 AromaticContact CH2-CE1 3.62Å; W135-F167 HydrophobicContact CH2-CE1 3.62Å; W135-F167 HydrophobicContact CH2-CG 4.02Å; W135-F167 HydrophobicContact CH2-CZ 4.38Å; W135-F167 HydrophobicContact CZ2-CB 4.36Å; W135-F167 AromaticContact CZ2-CD1 3.56Å; W135-F167 HydrophobicContact CZ2-CD1 3.56Å; W135-F167 HydrophobicContact CZ2-CE1 4.14Å; W135-F167 HydrophobicContact CZ2-CG 4.23Å; W135-F168 HydrophobicContact CB-CD2 4.42Å; W135-F168 AromaticContact CD2-CD2 3.88Å; W135-F168 HydrophobicContact CD2-CD2 3.88Å; W135-F168 HydrophobicContact CE3-CD2 4.01Å; W135-F168 HydrophobicContact CG-CD2 4.07Å; W135-F168 HydrophobicContact CZ2-CB 4.23Å; W135-C171 HydrophobicContact CH2-CB 4.37Å; W135-C171 HydrophobicContact CZ3-CB 4.07Å |
| 136 | G | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S132 N138 I139 L140 | S132-G136 PolarHBondContact O-N 3.36Å; G136-N138 VanDerWaalsContact C-N 3.34Å; G136-N138 PolarHBondContact O-N 3.43Å; G136-I139 PolarHBondContact O-N 2.87Å; G136-L140 WeakPolarHBondContact O-CG 3.44Å; G136-L140 PolarHBondContact O-N 2.84Å |
| 137 | T | 97.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | F133 A134 W135 I139 L140 L141 | F133-T137 WeakPolarHBondContact CE2-OG1 3.3Å; F133-T137 VanDerWaalsContact O-CB 3.26Å; F133-T137 WeakPolarHBondContact O-CB 3.32Å; F133-T137 PolarHBondContact O-N 3.24Å; F133-T137 PolarHBondContact O-OG1 3.12Å; A134-T137 PolarHBondContact O-N 3.26Å; W135-T137 VanDerWaalsContact C-N 3.32Å; W135-T137 PolarHBondContact O-N 2.7Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.37Å; T137-L140 PolarHBondContact O-N 3.33Å; T137-L141 HydrophobicContact CG2-CD1 4.12Å; T137-L141 HydrophobicContact CG2-CG 4.37Å; T137-L141 WeakPolarHBondContact O-CG 3.3Å; T137-L141 PolarHBondContact O-N 2.84Å |
| 138 | N | 97.3 | Very high | 93.2 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 175.2 | -173.9 | 58.5 | 0 | 0 | 0 | 112.2 | A134 W135 G136 L141 S142 | A134-N138 WeakPolarHBondContact O-CB 3.45Å; A134-N138 PolarHBondContact O-N 3.43Å; W135-N138 WeakPolarHBondContact O-CB 3.36Å; W135-N138 PolarHBondContact O-N 2.74Å; W135-N138 VanDerWaalsContact O-N 3.15Å; G136-N138 VanDerWaalsContact C-N 3.34Å; G136-N138 PolarHBondContact O-N 3.43Å; N138-L141 PolarHBondContact O-N 3.06Å; N138-S142 WeakPolarHBondContact O-CB 3.26Å; N138-S142 PolarHBondContact O-N 3.17Å; N138-S142 PolarHBondContact O-OG 3.42Å |
| 139 | I | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 174.1 | -60.2 | 162.8 | 0 | 0 | 0 | 110.5 | W135 G136 T137 L141 S142 E143 Q164 M165 F168 L220 | W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.36Å; G136-I139 PolarHBondContact O-N 2.87Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.37Å; I139-L141 VanDerWaalsContact C-N 3.27Å; I139-L141 PolarHBondContact O-N 3.44Å; I139-S142 WeakPolarHBondContact CA-OG 3.5Å; I139-S142 PolarHBondContact O-N 3.44Å; I139-S142 PolarHBondContact O-OG 2.85Å; I139-E143 HydrophobicContact CG2-CG 4.16Å; I139-E143 WeakPolarHBondContact O-CB 3.49Å; I139-E143 WeakPolarHBondContact O-CG 3.28Å; I139-E143 PolarHBondContact O-N 3.4Å; I139-Q164 HydrophobicContact CD1-CB 4.32Å; I139-Q164 HydrophobicContact CG1-CB 4.03Å; I139-M165 HydrophobicContact CG2-CB 4.16Å; I139-F168 HydrophobicContact CD1-CB 3.65Å; I139-F168 HydrophobicContact CD1-CD2 4.13Å; I139-F168 HydrophobicContact CD1-CG 3.94Å; I139-L220 HydrophobicContact CB-CD2 3.92Å; I139-L220 HydrophobicContact CG2-CD2 3.43Å; I139-L220 VanDerWaalsContact CG2-CD2 3.43Å |
| 140 | L | 94.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 178.6 | -67.9 | -177.5 | 0 | 0 | 0 | 113.3 | G136 T137 N144 F145 L146 L220 I221 V224 | G136-L140 WeakPolarHBondContact O-CG 3.44Å; G136-L140 PolarHBondContact O-N 2.84Å; T137-L140 PolarHBondContact O-N 3.33Å; L140-N144 PolarHBondContact O-N 3.35Å; L140-F145 HydrophobicContact CD2-CB 4.15Å; L140-F145 HydrophobicContact CD2-CD2 3.86Å; L140-F145 PolarHBondContact O-N 3.04Å; L140-L146 HydrophobicContact CB-CD1 4.38Å; L140-L146 HydrophobicContact CB-CG 4.21Å; L140-L146 HydrophobicContact CD1-CD2 4.15Å; L140-L220 HydrophobicContact CD2-CB 4.39Å; L140-L220 HydrophobicContact CD2-CD2 3.57Å; L140-L220 HydrophobicContact CD2-CG 3.71Å; L140-L220 HydrophobicContact CG-CD2 4.19Å; L140-L220 HydrophobicContact CG-CG 4.23Å; L140-I221 HydrophobicContact CD1-CG1 4.16Å; L140-I221 HydrophobicContact CD2-CD1 4.4Å; L140-I221 HydrophobicContact CD2-CG1 3.49Å; L140-I221 VanDerWaalsContact CD2-CG1 3.49Å; L140-I221 HydrophobicContact CG-CG1 4.49Å; L140-V224 HydrophobicContact CD1-CB 3.93Å; L140-V224 HydrophobicContact CD1-CG1 3.92Å; L140-V224 HydrophobicContact CD1-CG2 3.86Å; L140-V224 HydrophobicContact CG-CG2 4.39Å |
| 141 | L | 93.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.4 | -44.4 | 177.5 | -68.9 | 173.8 | 0 | 0 | 0 | 111.9 | T137 N138 I139 E143 N144 L146 | T137-L141 HydrophobicContact CG2-CD1 4.12Å; T137-L141 HydrophobicContact CG2-CG 4.37Å; T137-L141 WeakPolarHBondContact O-CG 3.3Å; T137-L141 PolarHBondContact O-N 2.84Å; N138-L141 PolarHBondContact O-N 3.06Å; I139-L141 VanDerWaalsContact C-N 3.27Å; I139-L141 PolarHBondContact O-N 3.44Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 2.97Å; L141-N144 PolarHBondContact O-N 3.49Å; L141-L146 HydrophobicContact CD2-CD1 4.27Å |
| 142 | S | 90.4 | Very high | 91.4 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 179.2 | 45 | 0 | 0 | 0 | 0 | 112.8 | N138 I139 | N138-S142 WeakPolarHBondContact O-CB 3.26Å; N138-S142 PolarHBondContact O-N 3.17Å; N138-S142 PolarHBondContact O-OG 3.42Å; I139-S142 WeakPolarHBondContact CA-OG 3.5Å; I139-S142 PolarHBondContact O-N 3.44Å; I139-S142 PolarHBondContact O-OG 2.85Å |
| 143 | E | 87.3 | Confident | 91.1 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.3 | 178.8 | -59.8 | -63.4 | 147.2 | 0 | 0 | 113.7 | I139 L141 F145 P162 | I139-E143 HydrophobicContact CG2-CG 4.16Å; I139-E143 WeakPolarHBondContact O-CB 3.49Å; I139-E143 WeakPolarHBondContact O-CG 3.28Å; I139-E143 PolarHBondContact O-N 3.4Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 2.97Å; E143-F145 HydrophobicContact CB-CD1 3.94Å; E143-F145 HydrophobicContact CB-CD2 3.84Å; E143-F145 HydrophobicContact CB-CE1 3.65Å; E143-F145 HydrophobicContact CB-CE2 3.54Å; E143-F145 HydrophobicContact CB-CG 4.02Å; E143-F145 HydrophobicContact CB-CZ 3.43Å; E143-F145 VanDerWaalsContact CB-CZ 3.43Å; E143-F145 HydrophobicContact CG-CE2 3.93Å; E143-F145 HydrophobicContact CG-CZ 3.89Å; E143-F145 WeakPolarHBondContact O-CD1 3.32Å; E143-F145 PolarHBondContact O-N 3.15Å; E143-F145 VanDerWaalsContact O-N 3.09Å; E143-P162 HydrophobicContact CG-CG 4.48Å; E143-P162 WeakPolarHBondContact OE1-CG 3.46Å |
| 144 | N | 86.1 | Confident | 90.8 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 24.5 | -179.1 | -68.2 | -67.9 | 0 | 0 | 0 | 115.8 | L140 L141 L146 S147 | L140-N144 PolarHBondContact O-N 3.35Å; L141-N144 PolarHBondContact O-N 3.49Å; N144-L146 PolarHBondContact O-N 3.44Å; N144-S147 PolarHBondContact O-N 3.32Å |
| 145 | F | 83.4 | Confident | 90.4 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.6 | -176.8 | -64.9 | -28 | 0 | 0 | 0 | 114.3 | L140 E143 M165 R217 L220 I221 | L140-F145 HydrophobicContact CD2-CB 4.15Å; L140-F145 HydrophobicContact CD2-CD2 3.86Å; L140-F145 PolarHBondContact O-N 3.04Å; E143-F145 HydrophobicContact CB-CD1 3.94Å; E143-F145 HydrophobicContact CB-CD2 3.84Å; E143-F145 HydrophobicContact CB-CE1 3.65Å; E143-F145 HydrophobicContact CB-CE2 3.54Å; E143-F145 HydrophobicContact CB-CG 4.02Å; E143-F145 HydrophobicContact CB-CZ 3.43Å; E143-F145 VanDerWaalsContact CB-CZ 3.43Å; E143-F145 HydrophobicContact CG-CE2 3.93Å; E143-F145 HydrophobicContact CG-CZ 3.89Å; E143-F145 WeakPolarHBondContact O-CD1 3.32Å; E143-F145 PolarHBondContact O-N 3.15Å; E143-F145 VanDerWaalsContact O-N 3.09Å; F145-M165 HydrophobicContact CE2-CE 4.04Å; F145-M165 HydrophobicContact CE2-SD 4.47Å; F145-R217 HydrophobicContact CE1-CG 4Å; F145-R217 HydrophobicContact CE2-CB 4.34Å; F145-R217 HydrophobicContact CE2-CG 3.96Å; F145-R217 HydrophobicContact CZ-CB 4.43Å; F145-R217 HydrophobicContact CZ-CG 3.64Å; F145-L220 HydrophobicContact CD2-CD2 4.46Å; F145-L220 HydrophobicContact CE2-CD2 4.42Å; F145-I221 HydrophobicContact CB-CD1 4.29Å |
| 146 | L | 79.3 | Confident | 90.2 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 52% | 0.518 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -23.8 | 179.5 | -65.1 | 178.9 | 0 | 0 | 0 | 113.4 | L140 L141 N144 | L140-L146 HydrophobicContact CB-CD1 4.38Å; L140-L146 HydrophobicContact CB-CG 4.21Å; L140-L146 HydrophobicContact CD1-CD2 4.15Å; L141-L146 HydrophobicContact CD2-CD1 4.27Å; N144-L146 PolarHBondContact O-N 3.44Å |
| 147 | S | 82.5 | Confident | 89.9 | Confident | 100 Ų | 100 | 57 Ų | 57 | 70% | 0.699 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -25.4 | -173.2 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | N144 | N144-S147 PolarHBondContact O-N 3.32Š|
| 148 | N | 83.8 | Confident | 89.7 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | trans | -132.5 | 98.4 | -178.6 | -176.5 | 7.3 | 0 | 0 | 0 | 111.5 | I150 A151 | N148-I150 PolarHBondContact O-N 2.85Å; N148-I150 VanDerWaalsContact OD1-CB 3.29Å; N148-I150 WeakPolarHBondContact OD1-CB 3.37Å; N148-I150 PolarHBondContact OD1-N 3.32Å; N148-A151 HydrophobicContact CB-CB 4.36Å; N148-A151 VanDerWaalsContact O-CB 3.27Å; N148-A151 WeakPolarHBondContact O-CB 3.35Å; N148-A151 PolarHBondContact O-N 3.45Å; N148-A151 VanDerWaalsContact O-N 3.13Å | ||
| 149 | P | 83.8 | Confident | 89.6 | Confident | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.3 | -27.8 | 176.7 | -25.8 | 35 | 0 | 0 | 0 | 114.1 | A151 L152 W153 | P149-A151 PolarHBondContact O-N 2.84Å; P149-L152 WeakPolarHBondContact O-CB 3.47Å; P149-L152 WeakPolarHBondContact O-CG 3.42Å; P149-L152 PolarHBondContact O-N 3.16Å; P149-W153 WeakPolarHBondContact O-CZ3 3.48Å |
| 150 | I | 89.1 | Confident | 89.5 | Confident | 84 Ų | 84 | 56 Ų | 56 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -64.7 | -30.9 | -179.6 | -59.2 | 170.4 | 0 | 0 | 0 | 110.9 | N148 L152 W153 E154 | N148-I150 PolarHBondContact O-N 2.85Å; N148-I150 VanDerWaalsContact OD1-CB 3.29Å; N148-I150 WeakPolarHBondContact OD1-CB 3.37Å; N148-I150 PolarHBondContact OD1-N 3.32Å; I150-L152 PolarHBondContact O-N 3.35Å; I150-W153 HydrophobicContact CB-CH2 4.49Å; I150-W153 HydrophobicContact CB-CZ2 4.12Å; I150-W153 HydrophobicContact CG1-CH2 4.24Å; I150-W153 HydrophobicContact CG1-CZ2 3.94Å; I150-W153 HydrophobicContact CG2-CZ2 4.17Å; I150-W153 PolarHBondContact O-N 3.22Å; I150-W153 VanDerWaalsContact O-N 3.11Å; I150-E154 HydrophobicContact CG2-CB 3.96Å; I150-E154 VanDerWaalsContact O-CB 3.28Å; I150-E154 WeakPolarHBondContact O-CB 3.39Å; I150-E154 PolarHBondContact O-N 3.42Å |
| 151 | A | 89.9 | Confident | 89.5 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.4 | -13.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N148 P149 W153 R217 | N148-A151 HydrophobicContact CB-CB 4.36Å; N148-A151 VanDerWaalsContact O-CB 3.27Å; N148-A151 WeakPolarHBondContact O-CB 3.35Å; N148-A151 PolarHBondContact O-N 3.45Å; N148-A151 VanDerWaalsContact O-N 3.13Å; P149-A151 PolarHBondContact O-N 2.84Å; A151-W153 VanDerWaalsContact C-N 3.35Å; A151-R217 WeakPolarHBondContact O-CD 3.34Å; A151-R217 PolarHBondContact O-NH1 3.42Å |
| 152 | L | 92.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -71.8 | -25.5 | 176.7 | -64.4 | 173.3 | 0 | 0 | 0 | 113.9 | P149 I150 H158 R217 I221 L267 T271 | P149-L152 WeakPolarHBondContact O-CB 3.47Å; P149-L152 WeakPolarHBondContact O-CG 3.42Å; P149-L152 PolarHBondContact O-N 3.16Å; I150-L152 PolarHBondContact O-N 3.35Å; L152-H158 PolarHBondContact O-CE1 3.26Å; L152-R217 HydrophobicContact CD2-CB 4.12Å; L152-I221 HydrophobicContact CD1-CD1 4.27Å; L152-I221 HydrophobicContact CD2-CD1 3.43Å; L152-I221 VanDerWaalsContact CD2-CD1 3.43Å; L152-I221 HydrophobicContact CD2-CG1 4.28Å; L152-I221 HydrophobicContact CG-CD1 4.35Å; L152-L267 HydrophobicContact CD1-CD2 4.21Å; L152-T271 HydrophobicContact CB-CG2 3.85Å |
| 153 | W | 93 | Very high | 89.8 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -20.1 | 178.2 | 61.7 | 87.6 | 0 | 0 | 0 | 113.3 | P149 I150 A151 G155 Y156 L270 T271 G275 L276 | P149-W153 WeakPolarHBondContact O-CZ3 3.48Å; I150-W153 HydrophobicContact CB-CH2 4.49Å; I150-W153 HydrophobicContact CB-CZ2 4.12Å; I150-W153 HydrophobicContact CG1-CH2 4.24Å; I150-W153 HydrophobicContact CG1-CZ2 3.94Å; I150-W153 HydrophobicContact CG2-CZ2 4.17Å; I150-W153 PolarHBondContact O-N 3.22Å; I150-W153 VanDerWaalsContact O-N 3.11Å; A151-W153 VanDerWaalsContact C-N 3.35Å; W153-G155 PolarHBondContact O-N 3.18Å; W153-Y156 WeakPolarHBondContact O-CB 3.32Å; W153-Y156 PolarHBondContact O-N 3.31Å; W153-Y156 VanDerWaalsContact O-N 3.12Å; W153-L270 HydrophobicContact CH2-CD1 4.22Å; W153-L270 HydrophobicContact CH2-CD2 4.06Å; W153-L270 HydrophobicContact CH2-CG 3.83Å; W153-L270 HydrophobicContact CZ3-CD2 4.04Å; W153-L270 HydrophobicContact CZ3-CG 3.79Å; W153-T271 HydrophobicContact CB-CG2 4.01Å; W153-T271 HydrophobicContact CE3-CG2 4.09Å; W153-G275 VanDerWaalsContact CD1-CA 3.47Å; W153-L276 HydrophobicContact CB-CD2 3.82Å; W153-L276 HydrophobicContact CB-CG 3.99Å |
| 154 | E | 91.9 | Very high | 90.2 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 133.2 | 175.3 | -178.3 | 175.1 | -143.9 | 0 | 0 | 111.2 | I150 Y156 H158 | I150-E154 HydrophobicContact CG2-CB 3.96Å; I150-E154 VanDerWaalsContact O-CB 3.28Å; I150-E154 WeakPolarHBondContact O-CB 3.39Å; I150-E154 PolarHBondContact O-N 3.42Å; E154-Y156 PolarHBondContact O-N 2.85Å; E154-H158 PolarHBondContact O-NE2 2.86Å |
| 155 | G | 89.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 14.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W153 P157 H158 | W153-G155 PolarHBondContact O-N 3.18Å; G155-P157 CarbonylContact O-C 3.6Å; G155-H158 PolarHBondContact O-CD2 3.26Å |
| 156 | Y | 93.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -56.9 | 142.6 | 166.5 | 179.8 | -90.6 | 0 | 0 | 0 | 109 | W153 E154 H158 L213 N214 L215 L276 N281 N290 F291 N292 | W153-Y156 WeakPolarHBondContact O-CB 3.32Å; W153-Y156 PolarHBondContact O-N 3.31Å; W153-Y156 VanDerWaalsContact O-N 3.12Å; E154-Y156 PolarHBondContact O-N 2.85Å; Y156-H158 PolarHBondContact N-NE2 3.13Å; Y156-L213 WeakPolarHBondContact CE2-O 3.44Å; Y156-L213 PolarHBondContact OH-O 2.86Å; Y156-N214 HydrophobicContact CE2-CB 4.23Å; Y156-N214 WeakPolarHBondContact CE2-O 3.27Å; Y156-L215 HydrophobicContact CD2-CD2 4.05Å; Y156-L215 HydrophobicContact CE2-CD2 3.63Å; Y156-L215 HydrophobicContact CE2-CG 4.2Å; Y156-L276 HydrophobicContact CD1-CD2 3.66Å; Y156-L276 HydrophobicContact CD2-CD2 4.05Å; Y156-L276 HydrophobicContact CE1-CD2 4.44Å; Y156-L276 HydrophobicContact CG-CD2 3.44Å; Y156-L276 VanDerWaalsContact CG-CD2 3.44Å; Y156-N281 PolarHBondContact O-ND2 3.25Å; Y156-N290 WeakPolarHBondContact CE1-OD1 3.21Å; Y156-F291 PolarHBondContact OH-N 3.06Å; Y156-N292 HydrophobicContact CD1-CB 4.22Å; Y156-N292 HydrophobicContact CE1-CB 3.83Å | ||
| 157 | P | 93.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | cis | -74.8 | 134.4 | 0.3 | 31.3 | -35.7 | 0 | 0 | 0 | 113.8 | G155 T159 N214 A288 G289 N290 | G155-P157 CarbonylContact O-C 3.6Å; P157-T159 VanDerWaalsContact C-N 3.25Å; P157-T159 HydrophobicContact CB-CG2 3.97Å; P157-T159 HydrophobicContact CG-CG2 4.07Å; P157-T159 PolarHBondContact O-N 3.11Å; P157-N214 HydrophobicContact CB-CB 4.07Å; P157-A288 WeakPolarHBondContact CG-O 3.35Å; P157-G289 WeakPolarHBondContact CB-O 3.33Å; P157-N290 HydrophobicContact CG-CB 4.08Å | ||
| 158 | H | 92.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | trans | -83.4 | 66.6 | 176.8 | -54.9 | 140 | 0 | 0 | 0 | 111.4 | L152 E154 G155 Y156 L160 N216 R217 | L152-H158 PolarHBondContact O-CE1 3.26Å; E154-H158 PolarHBondContact O-NE2 2.86Å; G155-H158 PolarHBondContact O-CD2 3.26Å; Y156-H158 PolarHBondContact N-NE2 3.13Å; H158-L160 VanDerWaalsContact C-N 3.26Å; H158-L160 PolarHBondContact O-N 3.17Å; H158-N216 PolarHBondContact O-ND2 3.03Å; H158-N216 VanDerWaalsContact O-ND2 3.09Å; H158-R217 VanDerWaalsContact CE1-CD 3.49Å; H158-R217 WeakPolarHBondContact CE1-CD 3.39Å; H158-R217 WeakPolarHBondContact ND1-CD 3.43Å; H158-R217 PolarHBondContact NE2-NH1 3.42Å | ||
| 159 | T | 93.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | trans | -71 | -19.7 | -174.3 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | H74 P157 A288 | H74-T159 WeakPolarHBondContact CA-O 3.39Å; H74-T159 PolarHBondContact ND1-O 3.08Å; P157-T159 VanDerWaalsContact C-N 3.25Å; P157-T159 HydrophobicContact CB-CG2 3.97Å; P157-T159 HydrophobicContact CG-CG2 4.07Å; P157-T159 PolarHBondContact O-N 3.11Å; T159-A288 WeakPolarHBondContact CG2-O 3.33Å | ||
| 160 | L | 94.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | trans | -104.9 | 128.2 | 179.4 | -66.3 | 172.4 | 0 | 0 | 0 | 110.2 | I59 H72 H74 H158 | I59-L160 HydrophobicContact CD1-CD1 3.73Å; H72-L160 HydrophobicContact CB-CB 4.19Å; H72-L160 HydrophobicContact CB-CD2 3.97Å; H74-L160 WeakPolarHBondContact CE1-CD2 3.49Å; H74-L160 WeakPolarHBondContact NE2-CD2 3.48Å; H158-L160 VanDerWaalsContact C-N 3.26Å; H158-L160 PolarHBondContact O-N 3.17Å | ||
| 161 | M | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.2 | 175.5 | -70.6 | 169.9 | -81.9 | 0 | 0 | 111 | H72 F73 H75 M165 K166 Y211 N216 | H72-M161 CarbonylContact C-O 3.32Å; F73-M161 PolarHBondContact N-O 3.22Å; F73-M161 PolarHBondContact O-N 3.19Å; H75-M161 HydrophobicContact CB-CE 4.09Å; M161-M165 HydrophobicContact CG-SD 4.15Å; M161-K166 HydrophobicContact CB-CB 4.12Å; M161-K166 HydrophobicContact SD-CB 4.32Å; M161-Y211 HydrophobicContact CE-CD2 4.25Å; M161-Y211 HydrophobicContact CE-CE2 3.57Å; M161-Y211 HydrophobicContact SD-CD2 4.12Å; M161-Y211 HydrophobicContact SD-CE2 3.73Å; M161-N216 HydrophobicContact CG-CB 4.25Å; M161-N216 HydrophobicContact SD-CB 4.17Å; M161-N216 PolarHBondContact SD-ND2 3.32Å |
| 162 | P | 94.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 154.7 | 166 | 30.2 | -35.5 | 0 | 0 | 0 | 109.9 | E143 Q164 M165 K166 | E143-P162 HydrophobicContact CG-CG 4.48Å; E143-P162 WeakPolarHBondContact OE1-CG 3.46Å; P162-Q164 VanDerWaalsContact C-N 3.28Å; P162-Q164 PolarHBondContact O-N 3.02Å; P162-M165 HydrophobicContact CG-CB 3.71Å; P162-M165 PolarHBondContact O-N 3.35Å; P162-M165 VanDerWaalsContact O-N 3.1Å; P162-K166 PolarHBondContact O-N 3.05Å |
| 163 | F | 95.2 | Very high | 95.7 | Very high | 88 Ų | 88 | 31 Ų | 31 | 39% | 0.386 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -48.3 | -49.2 | -178.9 | 171.8 | -97.7 | 0 | 0 | 0 | 112.6 | V53 F73 M165 K166 F167 | V53-F163 HydrophobicContact CB-CD2 4.22Å; V53-F163 HydrophobicContact CB-CE2 3.99Å; V53-F163 HydrophobicContact CG2-CD2 4Å; V53-F163 HydrophobicContact CG2-CE2 3.43Å; V53-F163 VanDerWaalsContact CG2-CE2 3.43Å; V53-F163 HydrophobicContact CG2-CZ 4.24Å; F73-F163 HydrophobicContact CD2-CB 4.28Å; F73-F163 HydrophobicContact CE2-CB 3.62Å; F73-F163 HydrophobicContact CE2-CD2 4.17Å; F73-F163 HydrophobicContact CE2-CG 4.41Å; F73-F163 HydrophobicContact CZ-CB 4.25Å; F73-F163 AromaticContact CZ-CD2 3.97Å; F73-F163 HydrophobicContact CZ-CD2 3.97Å; F163-M165 VanDerWaalsContact C-N 3.31Å; F163-M165 PolarHBondContact O-N 2.94Å; F163-K166 PolarHBondContact O-N 3.37Å; F163-F167 HydrophobicContact CE1-CB 4.3Å; F163-F167 HydrophobicContact CE1-CD1 4.08Å; F163-F167 HydrophobicContact CE1-CG 4.44Å; F163-F167 HydrophobicContact CE2-CB 4.45Å; F163-F167 HydrophobicContact CZ-CB 4.19Å; F163-F167 HydrophobicContact CZ-CD1 4Å; F163-F167 HydrophobicContact CZ-CG 4.12Å; F163-F167 WeakPolarHBondContact O-CB 3.32Å; F163-F167 PolarHBondContact O-N 3.42Å |
| 164 | Q | 96.1 | Very high | 96 | Very high | 84 Ų | 84 | 28.8 Ų | 28.8 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.2 | -42.5 | -176.4 | -70.4 | -67.2 | -29.5 | 0 | 0 | 112 | I139 P162 F168 | I139-Q164 HydrophobicContact CD1-CB 4.32Å; I139-Q164 HydrophobicContact CG1-CB 4.03Å; P162-Q164 VanDerWaalsContact C-N 3.28Å; P162-Q164 PolarHBondContact O-N 3.02Å; Q164-F168 WeakPolarHBondContact O-CB 3.33Å; Q164-F168 PolarHBondContact O-N 3.46Å |
| 165 | M | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.2 | -47.8 | 179.6 | -171.4 | -179.7 | -155.6 | 0 | 0 | 111.5 | I139 F145 M161 P162 F163 F167 F168 Y169 N216 R217 L220 | I139-M165 HydrophobicContact CG2-CB 4.16Å; F145-M165 HydrophobicContact CE2-CE 4.04Å; F145-M165 HydrophobicContact CE2-SD 4.47Å; M161-M165 HydrophobicContact CG-SD 4.15Å; P162-M165 HydrophobicContact CG-CB 3.71Å; P162-M165 PolarHBondContact O-N 3.35Å; P162-M165 VanDerWaalsContact O-N 3.1Å; F163-M165 VanDerWaalsContact C-N 3.31Å; F163-M165 PolarHBondContact O-N 2.94Å; M165-F167 VanDerWaalsContact C-N 3.33Å; M165-F167 PolarHBondContact O-N 3.18Å; M165-F168 WeakPolarHBondContact O-CB 3.37Å; M165-F168 PolarHBondContact O-N 3.26Å; M165-Y169 HydrophobicContact CE-CE2 4.26Å; M165-Y169 HydrophobicContact CG-CD2 4.27Å; M165-Y169 HydrophobicContact CG-CE2 4.16Å; M165-Y169 WeakPolarHBondContact O-CD2 3.41Å; M165-Y169 PolarHBondContact O-N 2.85Å; M165-Y169 VanDerWaalsContact O-N 3.15Å; M165-N216 HydrophobicContact CE-CB 3.65Å; M165-N216 WeakPolarHBondContact CE-O 3.48Å; M165-N216 HydrophobicContact SD-CB 4.19Å; M165-R217 HydrophobicContact CE-CG 4.36Å; M165-L220 HydrophobicContact CE-CB 3.93Å; M165-L220 HydrophobicContact CE-CD2 3.88Å; M165-L220 HydrophobicContact CG-CD2 4.46Å |
| 166 | K | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.7 | 177.7 | 166.9 | 173.9 | 161.7 | 0 | 111.2 | V53 Q54 F73 H74 D79 M161 P162 F163 F168 Y169 I170 Y211 | V53-K166 HydrophobicContact CG1-CB 4.33Å; V53-K166 HydrophobicContact CG1-CD 3.39Å; V53-K166 VanDerWaalsContact CG1-CE 3.45Å; V53-K166 HydrophobicContact CG1-CG 3.7Å; Q54-K166 PolarHBondContact O-NZ 2.92Å; F73-K166 HydrophobicContact CB-CB 4.37Å; F73-K166 HydrophobicContact CB-CD 3.36Å; F73-K166 HydrophobicContact CB-CG 4.45Å; F73-K166 HydrophobicContact CD1-CD 4.34Å; F73-K166 HydrophobicContact CG-CD 4.03Å; H74-K166 PolarHBondContact O-NZ 3.17Å; D79-K166 WeakPolarHBondContact OD1-CE 3.24Å; D79-K166 IonicContact OD1-NZ 2.75Å; D79-K166 PolarHBondContact OD1-NZ 3.13Å; D79-K166 IonicContact OD2-NZ 2.98Å; D79-K166 PolarHBondContact OD2-NZ 3.48Å; M161-K166 HydrophobicContact CB-CB 4.12Å; M161-K166 HydrophobicContact SD-CB 4.32Å; P162-K166 PolarHBondContact O-N 3.05Å; F163-K166 PolarHBondContact O-N 3.37Å; K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 PolarHBondContact O-N 3Å; K166-Y169 PolarHBondContact O-N 3.17Å; K166-I170 HydrophobicContact CG-CD1 4.05Å; K166-I170 WeakPolarHBondContact O-CG1 3.3Å; K166-I170 PolarHBondContact O-N 2.88Å; K166-I170 VanDerWaalsContact O-N 3.1Å; K166-Y211 WeakPolarHBondContact CE-OH 3.06Å; K166-Y211 HydrophobicContact CG-CE2 4.39Å |
| 167 | F | 98.2 | Very high | 96.9 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 15% | 0.154 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | -179.4 | -173 | -137 | 0 | 0 | 0 | 112.1 | V53 Y86 W135 F163 M165 Y169 I170 C171 | V53-F167 HydrophobicContact CG2-CB 4.09Å; V53-F167 HydrophobicContact CG2-CD2 3.95Å; V53-F167 HydrophobicContact CG2-CG 4.25Å; Y86-F167 AromaticContact CD1-CE2 3.99Å; Y86-F167 HydrophobicContact CD1-CE2 3.99Å; Y86-F167 HydrophobicContact CD1-CZ 4.2Å; Y86-F167 HydrophobicContact CD2-CE2 4.08Å; Y86-F167 AromaticContact CE1-CE2 3.44Å; Y86-F167 HydrophobicContact CE1-CE2 3.44Å; Y86-F167 VanDerWaalsContact CE1-CE2 3.44Å; Y86-F167 AromaticContact CE1-CZ 3.46Å; Y86-F167 HydrophobicContact CE1-CZ 3.46Å; Y86-F167 VanDerWaalsContact CE1-CZ 3.46Å; Y86-F167 HydrophobicContact CE2-CD2 4.4Å; Y86-F167 AromaticContact CE2-CE2 3.56Å; Y86-F167 HydrophobicContact CE2-CE2 3.56Å; Y86-F167 HydrophobicContact CE2-CZ 4.37Å; Y86-F167 HydrophobicContact CG-CE2 4.29Å; Y86-F167 AromaticContact CZ-CE2 3.19Å; Y86-F167 AromaticContact CZ-CZ 3.57Å; Y86-F167 WeakPolarHBondContact OH-CE2 3.28Å; W135-F167 AromaticContact CH2-CD1 3.4Å; W135-F167 HydrophobicContact CH2-CD1 3.4Å; W135-F167 AromaticContact CH2-CE1 3.62Å; W135-F167 HydrophobicContact CH2-CE1 3.62Å; W135-F167 HydrophobicContact CH2-CG 4.02Å; W135-F167 HydrophobicContact CH2-CZ 4.38Å; W135-F167 HydrophobicContact CZ2-CB 4.36Å; W135-F167 AromaticContact CZ2-CD1 3.56Å; W135-F167 HydrophobicContact CZ2-CD1 3.56Å; W135-F167 HydrophobicContact CZ2-CE1 4.14Å; W135-F167 HydrophobicContact CZ2-CG 4.23Å; F163-F167 HydrophobicContact CE1-CB 4.3Å; F163-F167 HydrophobicContact CE1-CD1 4.08Å; F163-F167 HydrophobicContact CE1-CG 4.44Å; F163-F167 HydrophobicContact CE2-CB 4.45Å; F163-F167 HydrophobicContact CZ-CB 4.19Å; F163-F167 HydrophobicContact CZ-CD1 4Å; F163-F167 HydrophobicContact CZ-CG 4.12Å; F163-F167 WeakPolarHBondContact O-CB 3.32Å; F163-F167 PolarHBondContact O-N 3.42Å; M165-F167 VanDerWaalsContact C-N 3.33Å; M165-F167 PolarHBondContact O-N 3.18Å; F167-Y169 PolarHBondContact O-N 3.02Å; F167-I170 PolarHBondContact O-N 3.5Å; F167-C171 WeakPolarHBondContact CE2-SG 3.36Å; F167-C171 VanDerWaalsContact CZ-SG 3.51Å; F167-C171 WeakPolarHBondContact O-CB 3.3Å; F167-C171 PolarHBondContact O-N 3.44Å; F167-C171 PolarHBondContact O-SG 3.33Å |
| 168 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.9 | -51.1 | 171.9 | 176 | -92.6 | 0 | 0 | 0 | 111.6 | S132 W135 I139 Q164 M165 K166 I170 C171 Q172 L220 L223 Y227 | S132-F168 WeakPolarHBondContact O-CE2 3.46Å; W135-F168 HydrophobicContact CB-CD2 4.42Å; W135-F168 AromaticContact CD2-CD2 3.88Å; W135-F168 HydrophobicContact CD2-CD2 3.88Å; W135-F168 HydrophobicContact CE3-CD2 4.01Å; W135-F168 HydrophobicContact CG-CD2 4.07Å; W135-F168 HydrophobicContact CZ2-CB 4.23Å; I139-F168 HydrophobicContact CD1-CB 3.65Å; I139-F168 HydrophobicContact CD1-CD2 4.13Å; I139-F168 HydrophobicContact CD1-CG 3.94Å; Q164-F168 WeakPolarHBondContact O-CB 3.33Å; Q164-F168 PolarHBondContact O-N 3.46Å; M165-F168 WeakPolarHBondContact O-CB 3.37Å; M165-F168 PolarHBondContact O-N 3.26Å; K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 PolarHBondContact O-N 3Å; F168-I170 PolarHBondContact O-N 3.1Å; F168-C171 PolarHBondContact O-N 2.97Å; F168-Q172 HydrophobicContact CD1-CG 3.92Å; F168-Q172 HydrophobicContact CE1-CG 3.58Å; F168-Q172 HydrophobicContact CE2-CG 4.2Å; F168-Q172 HydrophobicContact CG-CG 4.37Å; F168-Q172 HydrophobicContact CZ-CG 3.73Å; F168-Q172 VanDerWaalsContact O-CG 3.22Å; F168-Q172 WeakPolarHBondContact O-CG 3.09Å; F168-Q172 PolarHBondContact O-N 3.42Å; F168-Q172 PolarHBondContact O-NE2 3.37Å; F168-L220 HydrophobicContact CD1-CD1 3.71Å; F168-L220 HydrophobicContact CE1-CD1 3.52Å; F168-L220 HydrophobicContact CG-CD1 4.42Å; F168-L220 HydrophobicContact CZ-CD1 4.08Å; F168-L223 HydrophobicContact CE1-CD1 4.15Å; F168-Y227 HydrophobicContact CZ-CE2 4.47Å |
| 169 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 178.7 | -87.2 | -79.5 | 0 | 0 | 0 | 112.9 | M165 K166 F167 C171 Q172 M173 I207 A210 Y211 N216 G219 L220 L223 | M165-Y169 HydrophobicContact CE-CE2 4.26Å; M165-Y169 HydrophobicContact CG-CD2 4.27Å; M165-Y169 HydrophobicContact CG-CE2 4.16Å; M165-Y169 WeakPolarHBondContact O-CD2 3.41Å; M165-Y169 PolarHBondContact O-N 2.85Å; M165-Y169 VanDerWaalsContact O-N 3.15Å; K166-Y169 PolarHBondContact O-N 3.17Å; F167-Y169 PolarHBondContact O-N 3.02Å; Y169-C171 PolarHBondContact O-N 3.25Å; Y169-Q172 PolarHBondContact O-N 3.39Å; Y169-M173 WeakPolarHBondContact O-CG 3.48Å; Y169-M173 PolarHBondContact O-N 2.88Å; Y169-I207 HydrophobicContact CD1-CG2 3.69Å; Y169-I207 HydrophobicContact CE1-CG2 4.21Å; Y169-A210 HydrophobicContact CE1-CB 4.16Å; Y169-Y211 HydrophobicContact CD1-CD2 4.13Å; Y169-Y211 HydrophobicContact CD2-CD2 4.21Å; Y169-Y211 AromaticContact CG-CD2 3.76Å; Y169-Y211 HydrophobicContact CG-CD2 3.76Å; Y169-Y211 HydrophobicContact CG-CE2 4.39Å; Y169-N216 HydrophobicContact CE2-CB 4.29Å; Y169-N216 PolarHBondContact OH-O 3.34Å; Y169-G219 VanDerWaalsContact OH-CA 3.3Å; Y169-G219 WeakPolarHBondContact OH-CA 3.42Å; Y169-L220 PolarHBondContact OH-N 3.21Å; Y169-L223 HydrophobicContact CE1-CD1 4.07Å |
| 170 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 176.1 | -70.7 | 171.8 | 0 | 0 | 0 | 110.4 | V53 T82 V83 Y86 K166 F167 F168 Q172 M173 G174 | V53-I170 HydrophobicContact CG1-CD1 4.36Å; V53-I170 HydrophobicContact CG2-CD1 4.45Å; T82-I170 HydrophobicContact CG2-CD1 4.14Å; T82-I170 HydrophobicContact CG2-CG2 3.97Å; V83-I170 HydrophobicContact CG2-CB 4.33Å; V83-I170 HydrophobicContact CG2-CG1 4.34Å; V83-I170 HydrophobicContact CG2-CG2 3.96Å; Y86-I170 HydrophobicContact CD2-CG2 3.81Å; Y86-I170 HydrophobicContact CG-CG2 4.41Å; K166-I170 HydrophobicContact CG-CD1 4.05Å; K166-I170 WeakPolarHBondContact O-CG1 3.3Å; K166-I170 PolarHBondContact O-N 2.88Å; K166-I170 VanDerWaalsContact O-N 3.1Å; F167-I170 PolarHBondContact O-N 3.5Å; F168-I170 PolarHBondContact O-N 3.1Å; I170-Q172 PolarHBondContact O-N 2.88Å; I170-M173 PolarHBondContact O-N 3.44Å; I170-G174 PolarHBondContact O-N 2.87Å |
| 171 | C | 98.7 | Very high | 97.5 | Very high | 25 Ų | 25 | 24.2 Ų | 24.2 | 17% | 0.169 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.6 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | W135 F167 F168 Y169 G174 Y175 | W135-C171 HydrophobicContact CH2-CB 4.37Å; W135-C171 HydrophobicContact CZ3-CB 4.07Å; F167-C171 WeakPolarHBondContact CE2-SG 3.36Å; F167-C171 VanDerWaalsContact CZ-SG 3.51Å; F167-C171 WeakPolarHBondContact O-CB 3.3Å; F167-C171 PolarHBondContact O-N 3.44Å; F167-C171 PolarHBondContact O-SG 3.33Å; F168-C171 PolarHBondContact O-N 2.97Å; Y169-C171 PolarHBondContact O-N 3.25Å; C171-G174 PolarHBondContact O-N 2.9Å; C171-Y175 WeakPolarHBondContact O-CB 3.27Å; C171-Y175 PolarHBondContact O-N 3.38Å |
| 172 | Q | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.3 | -60.2 | -34 | -68.9 | 0 | 0 | 111.1 | S132 F168 Y169 I170 Y175 W176 I207 Y227 | S132-Q172 PolarHBondContact OG-NE2 2.87Å; S132-Q172 PolarHBondContact OG-OE1 3.39Å; F168-Q172 HydrophobicContact CD1-CG 3.92Å; F168-Q172 HydrophobicContact CE1-CG 3.58Å; F168-Q172 HydrophobicContact CE2-CG 4.2Å; F168-Q172 HydrophobicContact CG-CG 4.37Å; F168-Q172 HydrophobicContact CZ-CG 3.73Å; F168-Q172 VanDerWaalsContact O-CG 3.22Å; F168-Q172 WeakPolarHBondContact O-CG 3.09Å; F168-Q172 PolarHBondContact O-N 3.42Å; F168-Q172 PolarHBondContact O-NE2 3.37Å; Y169-Q172 PolarHBondContact O-N 3.39Å; I170-Q172 PolarHBondContact O-N 2.88Å; Q172-Y175 PolarHBondContact O-N 3.41Å; Q172-W176 PolarHBondContact O-N 3.06Å; Q172-I207 HydrophobicContact CB-CD1 3.95Å; Q172-I207 HydrophobicContact CB-CG2 4.19Å; Q172-Y227 HydrophobicContact CG-CE2 4.48Å; Q172-Y227 VanDerWaalsContact OE1-CE2 3.3Å |
| 173 | M | 98.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.2 | -69.9 | -175.4 | -76.5 | 0 | 0 | 111.6 | V83 Y169 I170 Y175 W176 L177 I207 A208 Y211 | V83-M173 HydrophobicContact CG1-CB 3.91Å; V83-M173 HydrophobicContact CG2-CB 4.12Å; V83-M173 HydrophobicContact CG2-CE 3.83Å; Y169-M173 WeakPolarHBondContact O-CG 3.48Å; Y169-M173 PolarHBondContact O-N 2.88Å; I170-M173 PolarHBondContact O-N 3.44Å; M173-Y175 VanDerWaalsContact C-N 3.32Å; M173-Y175 PolarHBondContact O-N 2.94Å; M173-W176 PolarHBondContact O-N 3.3Å; M173-L177 WeakPolarHBondContact O-CB 3.34Å; M173-L177 WeakPolarHBondContact O-CG 3.13Å; M173-L177 PolarHBondContact O-N 2.98Å; M173-I207 HydrophobicContact CG-CB 4.35Å; M173-I207 HydrophobicContact CG-CG2 3.51Å; M173-I207 HydrophobicContact SD-CG2 4.44Å; M173-A208 HydrophobicContact SD-CB 4.23Å; M173-Y211 HydrophobicContact CE-CD1 4.02Å; M173-Y211 HydrophobicContact CE-CE1 4.24Å; M173-Y211 HydrophobicContact CE-CG 4.3Å |
| 174 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M87 I170 C171 L177 H178 | M87-G174 WeakPolarHBondContact CA-O 3.5Å; I170-G174 PolarHBondContact O-N 2.87Å; C171-G174 PolarHBondContact O-N 2.9Å; G174-L177 PolarHBondContact O-N 2.84Å; G174-H178 WeakPolarHBondContact O-CB 3.34Å; G174-H178 PolarHBondContact O-N 2.97Å |
| 175 | Y | 98.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 22.8 Ų | 22.8 | 11% | 0.11 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.9 | -49.5 | 175.3 | -176.6 | -90.7 | 0 | 0 | 0 | 112.1 | A90 F128 C171 Q172 M173 L177 H178 S179 | A90-Y175 HydrophobicContact CB-CD2 4.49Å; F128-Y175 HydrophobicContact CB-CE1 4.13Å; F128-Y175 HydrophobicContact CB-CE2 3.71Å; F128-Y175 VanDerWaalsContact CB-CZ 3.46Å; F128-Y175 WeakPolarHBondContact CB-OH 3.34Å; F128-Y175 AromaticContact CD1-CD1 3.86Å; F128-Y175 HydrophobicContact CD1-CD1 3.86Å; F128-Y175 AromaticContact CD1-CE1 3.38Å; F128-Y175 HydrophobicContact CD1-CE1 3.38Å; F128-Y175 HydrophobicContact CD1-CE2 4.38Å; F128-Y175 AromaticContact CD1-CZ 3.67Å; F128-Y175 AromaticContact CD2-CD1 3.63Å; F128-Y175 HydrophobicContact CD2-CD1 3.63Å; F128-Y175 AromaticContact CD2-CD2 3.34Å; F128-Y175 HydrophobicContact CD2-CD2 3.34Å; F128-Y175 AromaticContact CD2-CE1 3.69Å; F128-Y175 HydrophobicContact CD2-CE1 3.69Å; F128-Y175 AromaticContact CD2-CE2 3.4Å; F128-Y175 HydrophobicContact CD2-CE2 3.4Å; F128-Y175 AromaticContact CD2-CG 3.46Å; F128-Y175 HydrophobicContact CD2-CG 3.46Å; F128-Y175 VanDerWaalsContact CD2-CG 3.46Å; F128-Y175 AromaticContact CD2-CZ 3.56Å; F128-Y175 AromaticContact CE1-CD1 3.6Å; F128-Y175 HydrophobicContact CE1-CD1 3.6Å; F128-Y175 AromaticContact CE1-CE1 3.56Å; F128-Y175 HydrophobicContact CE1-CE1 3.56Å; F128-Y175 HydrophobicContact CE1-CG 4.34Å; F128-Y175 AromaticContact CE2-CD1 3.35Å; F128-Y175 HydrophobicContact CE2-CD1 3.35Å; F128-Y175 AromaticContact CE2-CD2 3.62Å; F128-Y175 HydrophobicContact CE2-CD2 3.62Å; F128-Y175 AromaticContact CE2-CE1 3.86Å; F128-Y175 HydrophobicContact CE2-CE1 3.86Å; F128-Y175 HydrophobicContact CE2-CE2 4.09Å; F128-Y175 AromaticContact CE2-CG 3.21Å; F128-Y175 HydrophobicContact CE2-CG 3.21Å; F128-Y175 AromaticContact CG-CD1 3.87Å; F128-Y175 HydrophobicContact CG-CD1 3.87Å; F128-Y175 AromaticContact CG-CD2 3.98Å; F128-Y175 HydrophobicContact CG-CD2 3.98Å; F128-Y175 AromaticContact CG-CE1 3.43Å; F128-Y175 HydrophobicContact CG-CE1 3.43Å; F128-Y175 VanDerWaalsContact CG-CE1 3.43Å; F128-Y175 AromaticContact CG-CE2 3.56Å; F128-Y175 HydrophobicContact CG-CE2 3.56Å; F128-Y175 HydrophobicContact CG-CG 4.12Å; F128-Y175 AromaticContact CG-CZ 3.25Å; F128-Y175 AromaticContact CZ-CD1 3.32Å; F128-Y175 HydrophobicContact CZ-CD1 3.32Å; F128-Y175 HydrophobicContact CZ-CD2 4.44Å; F128-Y175 AromaticContact CZ-CE1 3.79Å; F128-Y175 HydrophobicContact CZ-CE1 3.79Å; F128-Y175 AromaticContact CZ-CG 3.7Å; F128-Y175 HydrophobicContact CZ-CG 3.7Å; C171-Y175 WeakPolarHBondContact O-CB 3.27Å; C171-Y175 PolarHBondContact O-N 3.38Å; Q172-Y175 PolarHBondContact O-N 3.41Å; M173-Y175 VanDerWaalsContact C-N 3.32Å; M173-Y175 PolarHBondContact O-N 2.94Å; Y175-L177 VanDerWaalsContact C-N 3.26Å; Y175-L177 PolarHBondContact O-N 3.26Å; Y175-H178 AromaticContact CD2-CE1 3.7Å; Y175-H178 AromaticContact CD2-ND1 3.51Å; Y175-H178 AromaticContact CE2-CE1 3.4Å; Y175-H178 WeakPolarHBondContact CE2-CE1 3.32Å; Y175-H178 AromaticContact CE2-ND1 3.73Å; Y175-H178 AromaticContact CG-ND1 3.74Å; Y175-H178 AromaticContact CZ-CE1 3.62Å; Y175-H178 WeakPolarHBondContact O-CB 3.38Å; Y175-H178 PolarHBondContact O-N 3.03Å; Y175-H178 VanDerWaalsContact O-N 3.09Å; Y175-H178 PolarHBondContact O-ND1 3.24Å; Y175-S179 PolarHBondContact O-N 3.06Å; Y175-S179 PolarHBondContact O-OG 3.09Å |
| 176 | W | 98.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 5% | 0.045 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68 | -28.8 | -178.7 | -71 | 107 | 0 | 0 | 0 | 112.8 | L125 F128 Y129 Q172 M173 S179 I200 Y203 L204 I207 Y227 | L125-W176 HydrophobicContact CD2-CH2 4.27Å; F128-W176 HydrophobicContact CD1-CZ2 4.48Å; F128-W176 AromaticContact CE1-CZ2 3.76Å; F128-W176 HydrophobicContact CE1-CZ2 3.76Å; F128-W176 AromaticContact CE1-NE1 3.93Å; F128-W176 AromaticContact CZ-NE1 3.86Å; Y129-W176 HydrophobicContact CE1-CZ2 4.08Å; Q172-W176 PolarHBondContact O-N 3.06Å; M173-W176 PolarHBondContact O-N 3.3Å; W176-S179 WeakPolarHBondContact O-CB 3.34Å; W176-S179 PolarHBondContact O-N 3.47Å; W176-I200 WeakPolarHBondContact O-CG2 3.19Å; W176-Y203 HydrophobicContact CD2-CD1 4.24Å; W176-Y203 AromaticContact CD2-CD2 3.5Å; W176-Y203 HydrophobicContact CD2-CD2 3.5Å; W176-Y203 HydrophobicContact CD2-CE2 4.28Å; W176-Y203 AromaticContact CD2-CG 3.48Å; W176-Y203 HydrophobicContact CD2-CG 3.48Å; W176-Y203 VanDerWaalsContact CD2-CG 3.48Å; W176-Y203 AromaticContact CE2-CD1 3.55Å; W176-Y203 AromaticContact CE2-CD2 3.44Å; W176-Y203 VanDerWaalsContact CE2-CD2 3.44Å; W176-Y203 AromaticContact CE2-CE1 3.99Å; W176-Y203 AromaticContact CE2-CE2 3.89Å; W176-Y203 AromaticContact CE2-CG 3.27Å; W176-Y203 AromaticContact CE3-CD2 3.43Å; W176-Y203 HydrophobicContact CE3-CD2 3.43Å; W176-Y203 VanDerWaalsContact CE3-CD2 3.43Å; W176-Y203 HydrophobicContact CE3-CE2 4.08Å; W176-Y203 AromaticContact CE3-CG 3.94Å; W176-Y203 HydrophobicContact CE3-CG 3.94Å; W176-Y203 VanDerWaalsContact CG-CB 3.49Å; W176-Y203 HydrophobicContact CG-CD2 4.41Å; W176-Y203 AromaticContact CG-CG 3.99Å; W176-Y203 HydrophobicContact CG-CG 3.99Å; W176-Y203 HydrophobicContact CH2-CD1 4.43Å; W176-Y203 AromaticContact CH2-CD2 3.3Å; W176-Y203 HydrophobicContact CH2-CD2 3.3Å; W176-Y203 HydrophobicContact CH2-CE1 4.23Å; W176-Y203 AromaticContact CH2-CE2 3.03Å; W176-Y203 HydrophobicContact CH2-CE2 3.03Å; W176-Y203 HydrophobicContact CH2-CG 4.02Å; W176-Y203 AromaticContact CH2-CZ 3.55Å; W176-Y203 AromaticContact CZ2-CD1 3.67Å; W176-Y203 HydrophobicContact CZ2-CD1 3.67Å; W176-Y203 AromaticContact CZ2-CD2 3.35Å; W176-Y203 HydrophobicContact CZ2-CD2 3.35Å; W176-Y203 AromaticContact CZ2-CE1 3.59Å; W176-Y203 HydrophobicContact CZ2-CE1 3.59Å; W176-Y203 AromaticContact CZ2-CE2 3.26Å; W176-Y203 HydrophobicContact CZ2-CE2 3.26Å; W176-Y203 AromaticContact CZ2-CG 3.56Å; W176-Y203 HydrophobicContact CZ2-CG 3.56Å; W176-Y203 AromaticContact CZ2-CZ 3.37Å; W176-Y203 AromaticContact CZ3-CD2 3.33Å; W176-Y203 HydrophobicContact CZ3-CD2 3.33Å; W176-Y203 AromaticContact CZ3-CE2 3.48Å; W176-Y203 HydrophobicContact CZ3-CE2 3.48Å; W176-Y203 VanDerWaalsContact CZ3-CE2 3.48Å; W176-Y203 HydrophobicContact CZ3-CG 4.18Å; W176-Y203 AromaticContact NE1-CD1 3.66Å; W176-Y203 AromaticContact NE1-CG 3.66Å; W176-L204 HydrophobicContact CB-CD2 3.69Å; W176-L204 HydrophobicContact CB-CG 3.99Å; W176-I207 HydrophobicContact CG-CD1 4.38Å; W176-Y227 HydrophobicContact CZ2-CE1 4.38Å; W176-Y227 PolarHBondContact NE1-OH 3.16Å |
| 177 | L | 98.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.277 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.2 | -36.5 | 169.6 | -74.6 | 169.4 | 0 | 0 | 0 | 112.8 | V83 M87 M173 G174 Y175 S179 L180 P181 L204 | V83-L177 HydrophobicContact CG1-CD1 3.5Å; V83-L177 VanDerWaalsContact CG1-CD1 3.5Å; M87-L177 HydrophobicContact CG-CB 4.02Å; M87-L177 HydrophobicContact SD-CB 3.76Å; M173-L177 WeakPolarHBondContact O-CB 3.34Å; M173-L177 WeakPolarHBondContact O-CG 3.13Å; M173-L177 PolarHBondContact O-N 2.98Å; G174-L177 PolarHBondContact O-N 2.84Å; Y175-L177 VanDerWaalsContact C-N 3.26Å; Y175-L177 PolarHBondContact O-N 3.26Å; L177-S179 PolarHBondContact O-N 3.02Å; L177-S179 VanDerWaalsContact O-N 3.14Å; L177-L180 HydrophobicContact CD2-CD1 4.13Å; L177-L180 WeakPolarHBondContact O-CB 3.36Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-L180 VanDerWaalsContact O-N 3.08Å; L177-P181 VanDerWaalsContact O-CD 3.27Å; L177-P181 WeakPolarHBondContact O-CD 3.09Å; L177-L204 HydrophobicContact CD2-CD1 3.75Å; L177-L204 HydrophobicContact CD2-CD2 4.28Å; L177-L204 HydrophobicContact CG-CD1 4.23Å; L177-L204 HydrophobicContact CG-CD2 3.88Å |
| 178 | H | 97.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -30.5 | 177.4 | 110.1 | -91.3 | 0 | 0 | 0 | 111.5 | M87 A90 I91 H94 G174 Y175 L180 P181 E182 | M87-H178 HydrophobicContact CG-CB 4Å; A90-H178 HydrophobicContact CB-CB 3.68Å; I91-H178 HydrophobicContact CG1-CB 4.06Å; H94-H178 AromaticContact CG-NE2 3.77Å; H94-H178 AromaticContact ND1-NE2 3.37Å; H94-H178 PolarHBondContact ND1-NE2 3.46Å; G174-H178 WeakPolarHBondContact O-CB 3.34Å; G174-H178 PolarHBondContact O-N 2.97Å; Y175-H178 AromaticContact CD2-CE1 3.7Å; Y175-H178 AromaticContact CD2-ND1 3.51Å; Y175-H178 AromaticContact CE2-CE1 3.4Å; Y175-H178 WeakPolarHBondContact CE2-CE1 3.32Å; Y175-H178 AromaticContact CE2-ND1 3.73Å; Y175-H178 AromaticContact CG-ND1 3.74Å; Y175-H178 AromaticContact CZ-CE1 3.62Å; Y175-H178 WeakPolarHBondContact O-CB 3.38Å; Y175-H178 PolarHBondContact O-N 3.03Å; Y175-H178 VanDerWaalsContact O-N 3.09Å; Y175-H178 PolarHBondContact O-ND1 3.24Å; H178-L180 PolarHBondContact O-N 3.5Å; H178-P181 WeakPolarHBondContact O-CD 3.43Å; H178-P181 VanDerWaalsContact O-CG 3.29Å; H178-P181 WeakPolarHBondContact O-CG 3.39Å; H178-E182 WeakPolarHBondContact O-CB 3.2Å; H178-E182 PolarHBondContact O-N 2.86Å |
| 179 | S | 97.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -24.8 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | Y175 W176 L177 L183 | Y175-S179 PolarHBondContact O-N 3.06Å; Y175-S179 PolarHBondContact O-OG 3.09Å; W176-S179 WeakPolarHBondContact O-CB 3.34Å; W176-S179 PolarHBondContact O-N 3.47Å; L177-S179 PolarHBondContact O-N 3.02Å; L177-S179 VanDerWaalsContact O-N 3.14Å; S179-L183 VanDerWaalsContact O-CG 3.26Å; S179-L183 WeakPolarHBondContact O-CG 3.31Å; S179-L183 PolarHBondContact O-N 3.01Å |
| 180 | L | 97.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 37% | 0.372 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.3 | -59.2 | 179.4 | -66.4 | 171.5 | 0 | 0 | 0 | 113.1 | L177 H178 E182 L183 L197 I200 | L177-L180 HydrophobicContact CD2-CD1 4.13Å; L177-L180 WeakPolarHBondContact O-CB 3.36Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-L180 VanDerWaalsContact O-N 3.08Å; H178-L180 PolarHBondContact O-N 3.5Å; L180-E182 PolarHBondContact O-N 2.92Å; L180-L183 WeakPolarHBondContact O-CB 3Å; L180-L183 PolarHBondContact O-N 2.93Å; L180-L197 HydrophobicContact CD2-CD2 3.52Å; L180-I200 HydrophobicContact CD2-CD1 3.96Å; L180-I200 HydrophobicContact CD2-CG2 3.98Å; L180-I200 HydrophobicContact CG-CD1 4.47Å; L180-I200 HydrophobicContact CG-CG2 4.11Å |
| 181 | P | 96 | Very high | 94.6 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -28 | 174.4 | 26.6 | -35.2 | 0 | 0 | 0 | 112 | I91 L177 H178 L183 Y184 F185 | I91-P181 HydrophobicContact CD1-CG 3.95Å; L177-P181 VanDerWaalsContact O-CD 3.27Å; L177-P181 WeakPolarHBondContact O-CD 3.09Å; H178-P181 WeakPolarHBondContact O-CD 3.43Å; H178-P181 VanDerWaalsContact O-CG 3.29Å; H178-P181 WeakPolarHBondContact O-CG 3.39Å; P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 2.85Å; P181-Y184 WeakPolarHBondContact O-CA 3.37Å; P181-Y184 WeakPolarHBondContact O-CB 3.5Å; P181-Y184 PolarHBondContact O-N 3.08Å; P181-F185 HydrophobicContact CB-CD2 4.37Å; P181-F185 HydrophobicContact CB-CE2 3.74Å; P181-F185 HydrophobicContact CB-CZ 4.03Å; P181-F185 HydrophobicContact CG-CE2 4.47Å; P181-F185 WeakPolarHBondContact O-CD2 3.38Å; P181-F185 WeakPolarHBondContact O-CG 3.47Å; P181-F185 PolarHBondContact O-N 2.85Å |
| 182 | E | 94.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 176.6 | -166.6 | 60.2 | -158.5 | 0 | 0 | 112.7 | H94 H178 L180 Y184 F185 Q186 | H94-E182 IonicContact CD2-OE1 3Å; H94-E182 PolarHBondContact CD2-OE1 3.01Å; H94-E182 IonicContact CD2-OE2 3.79Å; H94-E182 IonicContact CE1-OE1 3.85Å; H94-E182 IonicContact NE2-OE1 3.22Å; H94-E182 PolarHBondContact NE2-OE1 3.31Å; H178-E182 WeakPolarHBondContact O-CB 3.2Å; H178-E182 PolarHBondContact O-N 2.86Å; L180-E182 PolarHBondContact O-N 2.92Å; E182-Y184 PolarHBondContact O-N 3.28Å; E182-F185 PolarHBondContact O-N 3.46Å; E182-Q186 HydrophobicContact CG-CG 3.98Å; E182-Q186 WeakPolarHBondContact O-CB 3.35Å; E182-Q186 WeakPolarHBondContact O-CG 3.35Å; E182-Q186 PolarHBondContact O-N 3.16Å; E182-Q186 VanDerWaalsContact OE1-CD 3.27Å; E182-Q186 WeakPolarHBondContact OE1-CG 3.39Å; E182-Q186 PolarHBondContact OE1-NE2 3.37Å |
| 183 | L | 93.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -37.2 | 171.9 | -58.8 | -165.8 | 0 | 0 | 0 | 111.7 | S179 L180 P181 A188 I193 Q196 L197 I200 | S179-L183 VanDerWaalsContact O-CG 3.26Å; S179-L183 WeakPolarHBondContact O-CG 3.31Å; S179-L183 PolarHBondContact O-N 3.01Å; L180-L183 WeakPolarHBondContact O-CB 3Å; L180-L183 PolarHBondContact O-N 2.93Å; P181-L183 VanDerWaalsContact C-N 3.27Å; P181-L183 PolarHBondContact O-N 2.85Å; L183-A188 HydrophobicContact CB-CB 4.22Å; L183-A188 HydrophobicContact CD2-CB 4.45Å; L183-A188 VanDerWaalsContact O-CB 3.27Å; L183-A188 WeakPolarHBondContact O-CB 3.32Å; L183-A188 PolarHBondContact O-N 3.5Å; L183-I193 HydrophobicContact CD1-CG2 4.27Å; L183-Q196 HydrophobicContact CD1-CB 4.3Å; L183-Q196 HydrophobicContact CD2-CB 4.15Å; L183-L197 HydrophobicContact CD1-CD2 3.93Å; L183-L197 HydrophobicContact CD1-CG 4.27Å; L183-I200 HydrophobicContact CD1-CD1 4.34Å |
| 184 | Y | 92.2 | Very high | 93.7 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -76.4 | -48.1 | 177.3 | 171.8 | -98.8 | 0 | 0 | 0 | 111.4 | H16 I20 P181 E182 Q186 K187 | H16-Y184 AromaticContact CD2-CE2 3.94Å; H16-Y184 AromaticContact CD2-CZ 3.77Å; H16-Y184 PolarHBondContact CD2-OH 3.2Å; H16-Y184 AromaticContact NE2-CE2 3.39Å; H16-Y184 WeakPolarHBondContact NE2-CE2 3.32Å; H16-Y184 AromaticContact NE2-CZ 3.57Å; H16-Y184 PolarHBondContact NE2-OH 2.9Å; I20-Y184 HydrophobicContact CD1-CE1 4.34Å; I20-Y184 HydrophobicContact CG1-CE1 3.96Å; P181-Y184 WeakPolarHBondContact O-CA 3.37Å; P181-Y184 WeakPolarHBondContact O-CB 3.5Å; P181-Y184 PolarHBondContact O-N 3.08Å; E182-Y184 PolarHBondContact O-N 3.28Å; Y184-Q186 VanDerWaalsContact C-N 3.31Å; Y184-Q186 PolarHBondContact O-N 3.46Å; Y184-K187 PolarHBondContact O-N 3.12Å |
| 185 | F | 91.8 | Very high | 93.4 | Very high | 31 Ų | 31 | 65 Ų | 65 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | -179.9 | -58.6 | -35.8 | 0 | 0 | 0 | 112.6 | I20 H23 I91 P181 E182 K187 | I20-F185 WeakPolarHBondContact CG2-O 3.42Å; H23-F185 HydrophobicContact CB-CD1 3.83Å; H23-F185 HydrophobicContact CB-CD2 4.15Å; H23-F185 HydrophobicContact CB-CE1 3.83Å; H23-F185 HydrophobicContact CB-CE2 4.13Å; H23-F185 HydrophobicContact CB-CG 4.02Å; H23-F185 HydrophobicContact CB-CZ 3.99Å; H23-F185 AromaticContact CD2-CD2 3.66Å; H23-F185 AromaticContact CG-CD2 3.95Å; H23-F185 AromaticContact CG-CG 3.88Å; I91-F185 HydrophobicContact CD1-CE2 4.49Å; I91-F185 HydrophobicContact CG2-CE2 4.21Å; P181-F185 HydrophobicContact CB-CD2 4.37Å; P181-F185 HydrophobicContact CB-CE2 3.74Å; P181-F185 HydrophobicContact CB-CZ 4.03Å; P181-F185 HydrophobicContact CG-CE2 4.47Å; P181-F185 WeakPolarHBondContact O-CD2 3.38Å; P181-F185 WeakPolarHBondContact O-CG 3.47Å; P181-F185 PolarHBondContact O-N 2.85Å; E182-F185 PolarHBondContact O-N 3.46Å; F185-K187 VanDerWaalsContact C-N 3.26Å; F185-K187 PolarHBondContact O-N 3.44Å |
| 186 | Q | 88.2 | Confident | 93.2 | Very high | 97 Ų | 97 | 65.6 Ų | 65.6 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.8 | 177.2 | -64.1 | -172.1 | -2.7 | 0 | 0 | 114.3 | H94 E182 Y184 A188 | H94-Q186 PolarHBondContact CE1-NE2 3.17Å; H94-Q186 PolarHBondContact NE2-NE2 3.41Å; E182-Q186 HydrophobicContact CG-CG 3.98Å; E182-Q186 WeakPolarHBondContact O-CB 3.35Å; E182-Q186 WeakPolarHBondContact O-CG 3.35Å; E182-Q186 PolarHBondContact O-N 3.16Å; E182-Q186 VanDerWaalsContact OE1-CD 3.27Å; E182-Q186 WeakPolarHBondContact OE1-CG 3.39Å; E182-Q186 PolarHBondContact OE1-NE2 3.37Å; Y184-Q186 VanDerWaalsContact C-N 3.31Å; Y184-Q186 PolarHBondContact O-N 3.46Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 2.89Å |
| 187 | K | 89.4 | Confident | 93.1 | Very high | 122 Ų | 122 | 68.5 Ų | 68.5 | 53% | 0.53 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 50.9 | -171.4 | -56.9 | -179.6 | -179.6 | -178.8 | 0 | 110.8 | I20 Y184 F185 K189 | I20-K187 HydrophobicContact CD1-CD 4.49Å; I20-K187 HydrophobicContact CD1-CG 4.15Å; Y184-K187 PolarHBondContact O-N 3.12Å; F185-K187 VanDerWaalsContact C-N 3.26Å; F185-K187 PolarHBondContact O-N 3.44Å; K187-K189 PolarHBondContact O-N 2.72Å |
| 188 | A | 88.4 | Confident | 93.1 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | trans | -51.7 | 140.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L183 Q186 K190 I193 | L183-A188 HydrophobicContact CB-CB 4.22Å; L183-A188 HydrophobicContact CD2-CB 4.45Å; L183-A188 VanDerWaalsContact O-CB 3.27Å; L183-A188 WeakPolarHBondContact O-CB 3.32Å; L183-A188 PolarHBondContact O-N 3.5Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 2.89Å; A188-K190 PolarHBondContact O-N 3.02Å; A188-I193 HydrophobicContact CB-CG1 4.03Å | ||
| 189 | K | 88.7 | Confident | 92.9 | Very high | 125 Ų | 125 | 72.9 Ų | 72.9 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | trans | -66.4 | 138.7 | -179.2 | -60.1 | -174.3 | -177.5 | 174.7 | 0 | 109.8 | K187 E191 D192 I193 | K187-K189 PolarHBondContact O-N 2.72Å; K189-E191 HydrophobicContact CB-CG 3.89Å; K189-E191 HydrophobicContact CD-CG 4.1Å; K189-E191 WeakPolarHBondContact CD-OE1 3.46Å; K189-E191 IonicContact NZ-OE1 2.99Å; K189-E191 PolarHBondContact NZ-OE1 3.46Å; K189-E191 PolarHBondContact O-N 3.2Å; K189-D192 HydrophobicContact CB-CB 4.44Å; K189-D192 PolarHBondContact O-N 3.39Å; K189-I193 PolarHBondContact O-N 3.16Å | ||
| 190 | K | 89.8 | Confident | 93 | Very high | 192 Ų | 192 | 72.4 Ų | 72.4 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.2 | 178.4 | -65.5 | -173.4 | 177 | -174.2 | 0 | 113.7 | A188 D192 P194 | A188-K190 PolarHBondContact O-N 3.02Å; K190-D192 VanDerWaalsContact C-N 3.34Å; K190-P194 VanDerWaalsContact O-CD 3.32Å; K190-P194 WeakPolarHBondContact O-CD 3.28Å |
| 191 | E | 91.3 | Very high | 93 | Very high | 140 Ų | 140 | 75.1 Ų | 75.1 | 65% | 0.654 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.6 | 176.4 | 64.7 | -170.3 | -178.6 | 0 | 0 | 114 | K189 | K189-E191 HydrophobicContact CB-CG 3.89Å; K189-E191 HydrophobicContact CD-CG 4.1Å; K189-E191 WeakPolarHBondContact CD-OE1 3.46Å; K189-E191 IonicContact NZ-OE1 2.99Å; K189-E191 PolarHBondContact NZ-OE1 3.46Å; K189-E191 PolarHBondContact O-N 3.2Å |
| 192 | D | 88.9 | Confident | 93.1 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -23.9 | -177.9 | -72.8 | -53.3 | 0 | 0 | 0 | 112.7 | K189 K190 R195 Q196 | K189-D192 HydrophobicContact CB-CB 4.44Å; K189-D192 PolarHBondContact O-N 3.39Å; K190-D192 VanDerWaalsContact C-N 3.34Å; D192-R195 WeakPolarHBondContact O-CB 3.33Å; D192-R195 PolarHBondContact O-N 2.92Å; D192-R195 IonicContact OD1-CZ 2.76Å; D192-R195 VanDerWaalsContact OD1-CZ 3.23Å; D192-R195 IonicContact OD1-NH1 2.81Å; D192-R195 PolarHBondContact OD1-NH1 3.02Å; D192-R195 IonicContact OD1-NH2 3.18Å; D192-R195 PolarHBondContact OD1-NH2 2.87Å; D192-Q196 PolarHBondContact O-N 3.19Å; D192-Q196 VanDerWaalsContact O-N 3.09Å |
| 193 | I | 92.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.1 | -51.4 | -176.7 | -69.5 | 171.9 | 0 | 0 | 0 | 112.6 | L183 A188 K189 R195 Q196 L197 | L183-I193 HydrophobicContact CD1-CG2 4.27Å; A188-I193 HydrophobicContact CB-CG1 4.03Å; K189-I193 PolarHBondContact O-N 3.16Å; I193-R195 VanDerWaalsContact C-N 3.25Å; I193-R195 PolarHBondContact O-N 3.46Å; I193-Q196 PolarHBondContact O-N 3.31Å; I193-Q196 VanDerWaalsContact O-N 3.07Å; I193-L197 HydrophobicContact CG2-CD1 3.74Å; I193-L197 HydrophobicContact CG2-CG 4.04Å; I193-L197 WeakPolarHBondContact O-CG 3.14Å; I193-L197 PolarHBondContact O-N 3.21Å |
| 194 | P | 95.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 76 Ų | 76 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | -178 | -24.4 | 34.5 | 0 | 0 | 0 | 112.3 | K190 L197 V198 | K190-P194 VanDerWaalsContact O-CD 3.32Å; K190-P194 WeakPolarHBondContact O-CD 3.28Å; P194-L197 PolarHBondContact O-N 2.91Å; P194-V198 WeakPolarHBondContact O-CG2 3.26Å; P194-V198 PolarHBondContact O-N 3.27Å; P194-V198 VanDerWaalsContact O-N 3.17Å |
| 195 | R | 93.5 | Very high | 93.8 | Very high | 102 Ų | 102 | 74 Ų | 74 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.1 | -177.7 | -176.1 | 74.3 | -130.6 | -1.9 | 110.4 | D192 I193 V198 Y199 | D192-R195 WeakPolarHBondContact O-CB 3.33Å; D192-R195 PolarHBondContact O-N 2.92Å; D192-R195 IonicContact OD1-CZ 2.76Å; D192-R195 VanDerWaalsContact OD1-CZ 3.23Å; D192-R195 IonicContact OD1-NH1 2.81Å; D192-R195 PolarHBondContact OD1-NH1 3.02Å; D192-R195 IonicContact OD1-NH2 3.18Å; D192-R195 PolarHBondContact OD1-NH2 2.87Å; I193-R195 VanDerWaalsContact C-N 3.25Å; I193-R195 PolarHBondContact O-N 3.46Å; R195-V198 PolarHBondContact O-N 3.5Å; R195-Y199 HydrophobicContact CG-CD2 4.17Å; R195-Y199 HydrophobicContact CG-CE2 3.81Å; R195-Y199 WeakPolarHBondContact O-CD2 3.27Å; R195-Y199 PolarHBondContact O-N 3.07Å |
| 196 | Q | 94.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 75.1 Ų | 75.1 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | -178.4 | -73.3 | 173.2 | -25.7 | 0 | 0 | 112.1 | L183 D192 I193 V198 Y199 I200 | L183-Q196 HydrophobicContact CD1-CB 4.3Å; L183-Q196 HydrophobicContact CD2-CB 4.15Å; D192-Q196 PolarHBondContact O-N 3.19Å; D192-Q196 VanDerWaalsContact O-N 3.09Å; I193-Q196 PolarHBondContact O-N 3.31Å; I193-Q196 VanDerWaalsContact O-N 3.07Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 2.91Å; Q196-Y199 PolarHBondContact O-N 2.96Å; Q196-Y199 VanDerWaalsContact O-N 3.14Å; Q196-I200 WeakPolarHBondContact O-CG1 3.31Å; Q196-I200 PolarHBondContact O-N 3.35Å |
| 197 | L | 96.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 176.2 | -70.3 | 177.6 | 0 | 0 | 0 | 112.6 | L180 L183 I193 P194 Y199 I200 F201 | L180-L197 HydrophobicContact CD2-CD2 3.52Å; L183-L197 HydrophobicContact CD1-CD2 3.93Å; L183-L197 HydrophobicContact CD1-CG 4.27Å; I193-L197 HydrophobicContact CG2-CD1 3.74Å; I193-L197 HydrophobicContact CG2-CG 4.04Å; I193-L197 WeakPolarHBondContact O-CG 3.14Å; I193-L197 PolarHBondContact O-N 3.21Å; P194-L197 PolarHBondContact O-N 2.91Å; L197-Y199 PolarHBondContact O-N 3.2Å; L197-I200 PolarHBondContact O-N 2.86Å; L197-F201 VanDerWaalsContact O-CB 3.27Å; L197-F201 WeakPolarHBondContact O-CB 3.29Å; L197-F201 PolarHBondContact O-N 3.47Å |
| 198 | V | 96.9 | Very high | 95.1 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | P194 R195 Q196 F201 L202 F310 | P194-V198 WeakPolarHBondContact O-CG2 3.26Å; P194-V198 PolarHBondContact O-N 3.27Å; P194-V198 VanDerWaalsContact O-N 3.17Å; R195-V198 PolarHBondContact O-N 3.5Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 2.91Å; V198-F201 PolarHBondContact O-N 2.98Å; V198-L202 HydrophobicContact CG1-CD1 4Å; V198-L202 HydrophobicContact CG1-CG 4.44Å; V198-L202 WeakPolarHBondContact O-CB 3.37Å; V198-L202 VanDerWaalsContact O-CG 3.24Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.33Å; V198-F310 HydrophobicContact CG1-CE1 4.45Å; V198-F310 HydrophobicContact CG1-CZ 4.29Å |
| 199 | Y | 95.5 | Very high | 95.6 | Very high | 79 Ų | 79 | 66 Ų | 66 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 177.6 | -75.7 | -76.9 | 0 | 0 | 0 | 112 | R195 Q196 L197 F201 L202 Y203 | R195-Y199 HydrophobicContact CG-CD2 4.17Å; R195-Y199 HydrophobicContact CG-CE2 3.81Å; R195-Y199 WeakPolarHBondContact O-CD2 3.27Å; R195-Y199 PolarHBondContact O-N 3.07Å; Q196-Y199 PolarHBondContact O-N 2.96Å; Q196-Y199 VanDerWaalsContact O-N 3.14Å; L197-Y199 PolarHBondContact O-N 3.2Å; Y199-F201 VanDerWaalsContact C-N 3.3Å; Y199-F201 PolarHBondContact O-N 3.42Å; Y199-L202 PolarHBondContact O-N 2.85Å; Y199-Y203 WeakPolarHBondContact O-CD2 3.43Å; Y199-Y203 PolarHBondContact O-N 3.24Å |
| 200 | I | 97.8 | Very high | 96 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 177.1 | -67.1 | 165.8 | 0 | 0 | 0 | 110.3 | W176 L180 L183 Q196 L197 L202 Y203 L204 | W176-I200 WeakPolarHBondContact O-CG2 3.19Å; L180-I200 HydrophobicContact CD2-CD1 3.96Å; L180-I200 HydrophobicContact CD2-CG2 3.98Å; L180-I200 HydrophobicContact CG-CD1 4.47Å; L180-I200 HydrophobicContact CG-CG2 4.11Å; L183-I200 HydrophobicContact CD1-CD1 4.34Å; Q196-I200 WeakPolarHBondContact O-CG1 3.31Å; Q196-I200 PolarHBondContact O-N 3.35Å; L197-I200 PolarHBondContact O-N 2.86Å; I200-L202 PolarHBondContact O-N 3.39Å; I200-Y203 PolarHBondContact O-N 2.67Å; I200-L204 HydrophobicContact CG2-CD1 3.79Å; I200-L204 HydrophobicContact CG2-CG 4.4Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.22Å |
| 201 | F | 98.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 52 Ų | 52 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.8 | -46.8 | 177.1 | 175.3 | -101.3 | 0 | 0 | 0 | 112.1 | L197 V198 Y199 Y203 L204 V205 | L197-F201 VanDerWaalsContact O-CB 3.27Å; L197-F201 WeakPolarHBondContact O-CB 3.29Å; L197-F201 PolarHBondContact O-N 3.47Å; V198-F201 PolarHBondContact O-N 2.98Å; Y199-F201 VanDerWaalsContact C-N 3.3Å; Y199-F201 PolarHBondContact O-N 3.42Å; F201-Y203 VanDerWaalsContact C-N 3.34Å; F201-Y203 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 3.34Å; F201-V205 HydrophobicContact CD1-CG2 4.24Å; F201-V205 HydrophobicContact CD2-CG2 3.92Å; F201-V205 HydrophobicContact CE1-CG2 3.85Å; F201-V205 HydrophobicContact CE2-CG2 3.49Å; F201-V205 VanDerWaalsContact CE2-CG2 3.49Å; F201-V205 HydrophobicContact CG-CG2 4.29Å; F201-V205 HydrophobicContact CZ-CG2 3.47Å; F201-V205 VanDerWaalsContact CZ-CG2 3.47Å; F201-V205 WeakPolarHBondContact O-CB 3.24Å; F201-V205 WeakPolarHBondContact O-CG2 3.35Å; F201-V205 PolarHBondContact O-N 2.95Å |
| 202 | L | 98.1 | Very high | 96.7 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 178.7 | -73.3 | 171.8 | 0 | 0 | 0 | 111.6 | V198 Y199 I200 H206 T307 F310 | V198-L202 HydrophobicContact CG1-CD1 4Å; V198-L202 HydrophobicContact CG1-CG 4.44Å; V198-L202 WeakPolarHBondContact O-CB 3.37Å; V198-L202 VanDerWaalsContact O-CG 3.24Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.33Å; Y199-L202 PolarHBondContact O-N 2.85Å; I200-L202 PolarHBondContact O-N 3.39Å; L202-H206 PolarHBondContact O-N 3.04Å; L202-H206 VanDerWaalsContact O-N 3.13Å; L202-H206 PolarHBondContact O-ND1 3.28Å; L202-T307 HydrophobicContact CD1-CG2 4.3Å; L202-T307 HydrophobicContact CD2-CG2 4.07Å; L202-F310 HydrophobicContact CD1-CD1 4.15Å; L202-F310 HydrophobicContact CD1-CE1 4.1Å |
| 203 | Y | 98.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.7 | -77.5 | -67.9 | 0 | 0 | 0 | 111.9 | Y129 W176 Y199 I200 F201 V205 H206 I207 H226 Y227 | Y129-Y203 PolarHBondContact OH-OH 3.12Å; W176-Y203 HydrophobicContact CD2-CD1 4.24Å; W176-Y203 AromaticContact CD2-CD2 3.5Å; W176-Y203 HydrophobicContact CD2-CD2 3.5Å; W176-Y203 HydrophobicContact CD2-CE2 4.28Å; W176-Y203 AromaticContact CD2-CG 3.48Å; W176-Y203 HydrophobicContact CD2-CG 3.48Å; W176-Y203 VanDerWaalsContact CD2-CG 3.48Å; W176-Y203 AromaticContact CE2-CD1 3.55Å; W176-Y203 AromaticContact CE2-CD2 3.44Å; W176-Y203 VanDerWaalsContact CE2-CD2 3.44Å; W176-Y203 AromaticContact CE2-CE1 3.99Å; W176-Y203 AromaticContact CE2-CE2 3.89Å; W176-Y203 AromaticContact CE2-CG 3.27Å; W176-Y203 AromaticContact CE3-CD2 3.43Å; W176-Y203 HydrophobicContact CE3-CD2 3.43Å; W176-Y203 VanDerWaalsContact CE3-CD2 3.43Å; W176-Y203 HydrophobicContact CE3-CE2 4.08Å; W176-Y203 AromaticContact CE3-CG 3.94Å; W176-Y203 HydrophobicContact CE3-CG 3.94Å; W176-Y203 VanDerWaalsContact CG-CB 3.49Å; W176-Y203 HydrophobicContact CG-CD2 4.41Å; W176-Y203 AromaticContact CG-CG 3.99Å; W176-Y203 HydrophobicContact CG-CG 3.99Å; W176-Y203 HydrophobicContact CH2-CD1 4.43Å; W176-Y203 AromaticContact CH2-CD2 3.3Å; W176-Y203 HydrophobicContact CH2-CD2 3.3Å; W176-Y203 HydrophobicContact CH2-CE1 4.23Å; W176-Y203 AromaticContact CH2-CE2 3.03Å; W176-Y203 HydrophobicContact CH2-CE2 3.03Å; W176-Y203 HydrophobicContact CH2-CG 4.02Å; W176-Y203 AromaticContact CH2-CZ 3.55Å; W176-Y203 AromaticContact CZ2-CD1 3.67Å; W176-Y203 HydrophobicContact CZ2-CD1 3.67Å; W176-Y203 AromaticContact CZ2-CD2 3.35Å; W176-Y203 HydrophobicContact CZ2-CD2 3.35Å; W176-Y203 AromaticContact CZ2-CE1 3.59Å; W176-Y203 HydrophobicContact CZ2-CE1 3.59Å; W176-Y203 AromaticContact CZ2-CE2 3.26Å; W176-Y203 HydrophobicContact CZ2-CE2 3.26Å; W176-Y203 AromaticContact CZ2-CG 3.56Å; W176-Y203 HydrophobicContact CZ2-CG 3.56Å; W176-Y203 AromaticContact CZ2-CZ 3.37Å; W176-Y203 AromaticContact CZ3-CD2 3.33Å; W176-Y203 HydrophobicContact CZ3-CD2 3.33Å; W176-Y203 AromaticContact CZ3-CE2 3.48Å; W176-Y203 HydrophobicContact CZ3-CE2 3.48Å; W176-Y203 VanDerWaalsContact CZ3-CE2 3.48Å; W176-Y203 HydrophobicContact CZ3-CG 4.18Å; W176-Y203 AromaticContact NE1-CD1 3.66Å; W176-Y203 AromaticContact NE1-CG 3.66Å; Y199-Y203 WeakPolarHBondContact O-CD2 3.43Å; Y199-Y203 PolarHBondContact O-N 3.24Å; I200-Y203 PolarHBondContact O-N 2.67Å; F201-Y203 VanDerWaalsContact C-N 3.34Å; F201-Y203 PolarHBondContact O-N 3.47Å; Y203-V205 VanDerWaalsContact C-N 3.35Å; Y203-V205 PolarHBondContact O-N 2.93Å; Y203-H206 PolarHBondContact O-N 2.88Å; Y203-I207 WeakPolarHBondContact O-CB 3.46Å; Y203-I207 WeakPolarHBondContact O-CD1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.23Å; Y203-I207 PolarHBondContact O-N 3.22Å; Y203-H226 AromaticContact CE1-CD2 3.64Å; Y203-H226 AromaticContact CE1-NE2 3.36Å; Y203-H226 WeakPolarHBondContact CE1-NE2 3.41Å; Y203-H226 AromaticContact CZ-NE2 3.39Å; Y203-H226 PolarHBondContact OH-NE2 3.14Å; Y203-Y227 HydrophobicContact CD1-CE1 4.24Å; Y203-Y227 AromaticContact CE1-CE1 3.72Å; Y203-Y227 HydrophobicContact CE1-CE1 3.72Å |
| 204 | L | 98.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | -178 | -69.3 | 173.2 | 0 | 0 | 0 | 112 | W176 L177 I200 F201 A208 | W176-L204 HydrophobicContact CB-CD2 3.69Å; W176-L204 HydrophobicContact CB-CG 3.99Å; L177-L204 HydrophobicContact CD2-CD1 3.75Å; L177-L204 HydrophobicContact CD2-CD2 4.28Å; L177-L204 HydrophobicContact CG-CD1 4.23Å; L177-L204 HydrophobicContact CG-CD2 3.88Å; I200-L204 HydrophobicContact CG2-CD1 3.79Å; I200-L204 HydrophobicContact CG2-CG 4.4Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.22Å; F201-L204 PolarHBondContact O-N 3.34Å; L204-A208 WeakPolarHBondContact O-CB 3.4Å; L204-A208 PolarHBondContact O-N 3.42Å |
| 205 | V | 98.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -44 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 112 | F201 Y203 G209 | F201-V205 HydrophobicContact CD1-CG2 4.24Å; F201-V205 HydrophobicContact CD2-CG2 3.92Å; F201-V205 HydrophobicContact CE1-CG2 3.85Å; F201-V205 HydrophobicContact CE2-CG2 3.49Å; F201-V205 VanDerWaalsContact CE2-CG2 3.49Å; F201-V205 HydrophobicContact CG-CG2 4.29Å; F201-V205 HydrophobicContact CZ-CG2 3.47Å; F201-V205 VanDerWaalsContact CZ-CG2 3.47Å; F201-V205 WeakPolarHBondContact O-CB 3.24Å; F201-V205 WeakPolarHBondContact O-CG2 3.35Å; F201-V205 PolarHBondContact O-N 2.95Å; Y203-V205 VanDerWaalsContact C-N 3.35Å; Y203-V205 PolarHBondContact O-N 2.93Å; V205-G209 WeakPolarHBondContact O-CA 3.4Å; V205-G209 PolarHBondContact O-N 3.24Å |
| 206 | H | 98.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.6 | -40.2 | -178.7 | -71 | 75.3 | 0 | 0 | 0 | 111.9 | L202 Y203 A210 T307 | L202-H206 PolarHBondContact O-N 3.04Å; L202-H206 VanDerWaalsContact O-N 3.13Å; L202-H206 PolarHBondContact O-ND1 3.28Å; Y203-H206 PolarHBondContact O-N 2.88Å; H206-A210 WeakPolarHBondContact O-CB 3.39Å; H206-A210 PolarHBondContact O-N 3.08Å; H206-T307 PolarHBondContact CE1-OG1 3.25Å; H206-T307 PolarHBondContact NE2-OG1 3.41Å |
| 207 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -51.7 | 178.7 | -63.3 | 162.9 | 0 | 0 | 0 | 110 | Y169 Q172 M173 W176 Y203 G209 A210 Y211 L223 | Y169-I207 HydrophobicContact CD1-CG2 3.69Å; Y169-I207 HydrophobicContact CE1-CG2 4.21Å; Q172-I207 HydrophobicContact CB-CD1 3.95Å; Q172-I207 HydrophobicContact CB-CG2 4.19Å; M173-I207 HydrophobicContact CG-CB 4.35Å; M173-I207 HydrophobicContact CG-CG2 3.51Å; M173-I207 HydrophobicContact SD-CG2 4.44Å; W176-I207 HydrophobicContact CG-CD1 4.38Å; Y203-I207 WeakPolarHBondContact O-CB 3.46Å; Y203-I207 WeakPolarHBondContact O-CD1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.23Å; Y203-I207 PolarHBondContact O-N 3.22Å; I207-G209 PolarHBondContact O-N 2.94Å; I207-A210 PolarHBondContact O-N 2.72Å; I207-Y211 WeakPolarHBondContact O-CB 3.38Å; I207-Y211 PolarHBondContact O-N 3.44Å; I207-L223 HydrophobicContact CD1-CD2 4.31Å; I207-L223 HydrophobicContact CG1-CD1 4.02Å; I207-L223 HydrophobicContact CG1-CD2 3.78Å |
| 208 | A | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M173 L204 Y211 I212 | M173-A208 HydrophobicContact SD-CB 4.23Å; L204-A208 WeakPolarHBondContact O-CB 3.4Å; L204-A208 PolarHBondContact O-N 3.42Å; A208-Y211 PolarHBondContact O-N 2.99Å; A208-I212 HydrophobicContact CB-CD1 4.36Å; A208-I212 WeakPolarHBondContact O-CB 3.24Å; A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.36Å; A208-I212 PolarHBondContact O-N 3.43Å |
| 209 | G | 98.1 | Very high | 97.5 | Very high | 27 Ų | 27 | 34.2 Ų | 34.2 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V205 I207 Y211 L213 | V205-G209 WeakPolarHBondContact O-CA 3.4Å; V205-G209 PolarHBondContact O-N 3.24Å; I207-G209 PolarHBondContact O-N 2.94Å; G209-Y211 VanDerWaalsContact C-N 3.29Å; G209-Y211 PolarHBondContact O-N 3.06Å; G209-L213 WeakPolarHBondContact O-CB 3.27Å; G209-L213 VanDerWaalsContact O-CG 3.25Å; G209-L213 WeakPolarHBondContact O-CG 3.26Å; G209-L213 PolarHBondContact O-N 3.01Å |
| 210 | A | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y169 H206 I207 L215 N216 | Y169-A210 HydrophobicContact CE1-CB 4.16Å; H206-A210 WeakPolarHBondContact O-CB 3.39Å; H206-A210 PolarHBondContact O-N 3.08Å; I207-A210 PolarHBondContact O-N 2.72Å; A210-L215 CarbonylContact O-C 3.13Å; A210-L215 PolarHBondContact O-N 3.28Å; A210-N216 PolarHBondContact O-OD1 3.36Å |
| 211 | Y | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -48.6 | -179 | -167.7 | -112.8 | 0 | 0 | 0 | 113.4 | H75 D79 M161 K166 Y169 M173 I207 A208 G209 N216 | H75-Y211 HydrophobicContact CB-CD1 4.01Å; H75-Y211 HydrophobicContact CB-CE1 3.4Å; H75-Y211 HydrophobicContact CB-CE2 4.19Å; H75-Y211 VanDerWaalsContact CB-CZ 3.47Å; D79-Y211 PolarHBondContact OD2-OH 3.47Å; M161-Y211 HydrophobicContact CE-CD2 4.25Å; M161-Y211 HydrophobicContact CE-CE2 3.57Å; M161-Y211 HydrophobicContact SD-CD2 4.12Å; M161-Y211 HydrophobicContact SD-CE2 3.73Å; K166-Y211 WeakPolarHBondContact CE-OH 3.06Å; K166-Y211 HydrophobicContact CG-CE2 4.39Å; Y169-Y211 HydrophobicContact CD1-CD2 4.13Å; Y169-Y211 HydrophobicContact CD2-CD2 4.21Å; Y169-Y211 AromaticContact CG-CD2 3.76Å; Y169-Y211 HydrophobicContact CG-CD2 3.76Å; Y169-Y211 HydrophobicContact CG-CE2 4.39Å; M173-Y211 HydrophobicContact CE-CD1 4.02Å; M173-Y211 HydrophobicContact CE-CE1 4.24Å; M173-Y211 HydrophobicContact CE-CG 4.3Å; I207-Y211 WeakPolarHBondContact O-CB 3.38Å; I207-Y211 PolarHBondContact O-N 3.44Å; A208-Y211 PolarHBondContact O-N 2.99Å; G209-Y211 VanDerWaalsContact C-N 3.29Å; G209-Y211 PolarHBondContact O-N 3.06Å; Y211-N216 WeakPolarHBondContact CA-OD1 3.37Å |
| 212 | I | 97.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 25.8 Ų | 25.8 | 46% | 0.462 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -78.5 | -33.1 | -174.3 | -65.7 | 166.8 | 0 | 0 | 0 | 111.7 | A208 N214 F291 | A208-I212 HydrophobicContact CB-CD1 4.36Å; A208-I212 WeakPolarHBondContact O-CB 3.24Å; A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.36Å; A208-I212 PolarHBondContact O-N 3.43Å; I212-N214 PolarHBondContact O-N 3.32Å; I212-F291 WeakPolarHBondContact O-CE2 3.47Å |
| 213 | L | 97.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 25 Ų | 25 | 19% | 0.188 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 8.1 | -179.1 | -60.8 | 174.7 | 0 | 0 | 0 | 113.2 | Y156 G209 L215 F291 V296 V300 | Y156-L213 WeakPolarHBondContact CE2-O 3.44Å; Y156-L213 PolarHBondContact OH-O 2.86Å; G209-L213 WeakPolarHBondContact O-CB 3.27Å; G209-L213 VanDerWaalsContact O-CG 3.25Å; G209-L213 WeakPolarHBondContact O-CG 3.26Å; G209-L213 PolarHBondContact O-N 3.01Å; L213-L215 HydrophobicContact CB-CD1 4.12Å; L213-L215 HydrophobicContact CB-CG 4.18Å; L213-L215 HydrophobicContact CD1-CD1 4.42Å; L213-L215 PolarHBondContact O-N 3.4Å; L213-F291 HydrophobicContact CD2-CB 4.06Å; L213-F291 HydrophobicContact CD2-CD1 4.21Å; L213-F291 HydrophobicContact CD2-CD2 4.16Å; L213-F291 HydrophobicContact CD2-CG 3.89Å; L213-V296 HydrophobicContact CD1-CG1 4.15Å; L213-V296 HydrophobicContact CD2-CG1 4.17Å; L213-V300 HydrophobicContact CD1-CG2 3.63Å |
| 214 | N | 96.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.2 | -175.3 | -64.2 | -56 | 0 | 0 | 0 | 113.7 | H75 Y156 P157 I212 N216 G289 | H75-N214 PolarHBondContact CD2-OD1 3.19Å; H75-N214 PolarHBondContact NE2-ND2 3.06Å; H75-N214 PolarHBondContact NE2-OD1 3.25Å; Y156-N214 HydrophobicContact CE2-CB 4.23Å; Y156-N214 WeakPolarHBondContact CE2-O 3.27Å; P157-N214 HydrophobicContact CB-CB 4.07Å; I212-N214 PolarHBondContact O-N 3.32Å; N214-N216 PolarHBondContact O-N 3.14Å; N214-G289 PolarHBondContact ND2-O 3.11Å |
| 215 | L | 96.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | trans | -95 | 32 | 173.8 | -64.6 | 172.2 | 0 | 0 | 0 | 110.8 | Y156 A210 L213 R217 L218 G219 L276 V300 | Y156-L215 HydrophobicContact CD2-CD2 4.05Å; Y156-L215 HydrophobicContact CE2-CD2 3.63Å; Y156-L215 HydrophobicContact CE2-CG 4.2Å; A210-L215 CarbonylContact O-C 3.13Å; A210-L215 PolarHBondContact O-N 3.28Å; L213-L215 HydrophobicContact CB-CD1 4.12Å; L213-L215 HydrophobicContact CB-CG 4.18Å; L213-L215 HydrophobicContact CD1-CD1 4.42Å; L213-L215 PolarHBondContact O-N 3.4Å; L215-R217 VanDerWaalsContact C-N 3.3Å; L215-R217 PolarHBondContact O-N 3.43Å; L215-L218 PolarHBondContact O-N 2.96Å; L215-G219 PolarHBondContact O-N 2.63Å; L215-L276 HydrophobicContact CD2-CD1 3.74Å; L215-V300 HydrophobicContact CD1-CG1 4.12Å; L215-V300 HydrophobicContact CD1-CG2 4.14Å | ||
| 216 | N | 95.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -42.6 | -168.9 | -62.5 | -47 | 0 | 0 | 0 | 111.9 | H158 M161 M165 Y169 A210 Y211 N214 L220 | H158-N216 PolarHBondContact O-ND2 3.03Å; H158-N216 VanDerWaalsContact O-ND2 3.09Å; M161-N216 HydrophobicContact CG-CB 4.25Å; M161-N216 HydrophobicContact SD-CB 4.17Å; M161-N216 PolarHBondContact SD-ND2 3.32Å; M165-N216 HydrophobicContact CE-CB 3.65Å; M165-N216 WeakPolarHBondContact CE-O 3.48Å; M165-N216 HydrophobicContact SD-CB 4.19Å; Y169-N216 HydrophobicContact CE2-CB 4.29Å; Y169-N216 PolarHBondContact OH-O 3.34Å; A210-N216 PolarHBondContact O-OD1 3.36Å; Y211-N216 WeakPolarHBondContact CA-OD1 3.37Å; N214-N216 PolarHBondContact O-N 3.14Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 2.89Å |
| 217 | R | 95.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 19.8 Ų | 19.8 | 26% | 0.264 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -65.8 | -49.8 | -178.4 | -57.8 | -174.3 | -176.2 | 170 | -1.5 | 111.8 | F145 A151 L152 H158 M165 L215 L220 I221 | F145-R217 HydrophobicContact CE1-CG 4Å; F145-R217 HydrophobicContact CE2-CB 4.34Å; F145-R217 HydrophobicContact CE2-CG 3.96Å; F145-R217 HydrophobicContact CZ-CB 4.43Å; F145-R217 HydrophobicContact CZ-CG 3.64Å; A151-R217 WeakPolarHBondContact O-CD 3.34Å; A151-R217 PolarHBondContact O-NH1 3.42Å; L152-R217 HydrophobicContact CD2-CB 4.12Å; H158-R217 VanDerWaalsContact CE1-CD 3.49Å; H158-R217 WeakPolarHBondContact CE1-CD 3.39Å; H158-R217 WeakPolarHBondContact ND1-CD 3.43Å; H158-R217 PolarHBondContact NE2-NH1 3.42Å; M165-R217 HydrophobicContact CE-CG 4.36Å; L215-R217 VanDerWaalsContact C-N 3.3Å; L215-R217 PolarHBondContact O-N 3.43Å; R217-L220 PolarHBondContact O-N 3.23Å; R217-I221 PolarHBondContact O-N 3.16Å |
| 218 | L | 96.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.8 | -51.6 | 174.6 | 177.4 | 63.2 | 0 | 0 | 0 | 110.6 | L215 L220 I221 L222 L267 T271 V272 | L215-L218 PolarHBondContact O-N 2.96Å; L218-L220 VanDerWaalsContact C-N 3.26Å; L218-L220 PolarHBondContact O-N 2.93Å; L218-I221 PolarHBondContact O-N 2.82Å; L218-L222 HydrophobicContact CD1-CD1 4.03Å; L218-L222 HydrophobicContact CD1-CD2 4.17Å; L218-L222 HydrophobicContact CD1-CG 3.94Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 HydrophobicContact CG-CG 4.21Å; L218-L222 VanDerWaalsContact O-CG 3.32Å; L218-L222 WeakPolarHBondContact O-CG 3.46Å; L218-L222 PolarHBondContact O-N 3.22Å; L218-L267 HydrophobicContact CD1-CB 4.44Å; L218-T271 HydrophobicContact CB-CG2 4.34Å; L218-T271 HydrophobicContact CD1-CG2 4.41Å; L218-T271 HydrophobicContact CD2-CG2 4.01Å; L218-T271 HydrophobicContact CG-CG2 4.48Å; L218-V272 HydrophobicContact CD2-CG2 3.7Å |
| 219 | G | 97.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | Y169 L215 L222 L223 | Y169-G219 VanDerWaalsContact OH-CA 3.3Å; Y169-G219 WeakPolarHBondContact OH-CA 3.42Å; L215-G219 PolarHBondContact O-N 2.63Å; G219-L222 PolarHBondContact O-N 2.91Å; G219-L223 WeakPolarHBondContact O-CB 3.34Å; G219-L223 VanDerWaalsContact O-CG 3.24Å; G219-L223 WeakPolarHBondContact O-CG 3.22Å; G219-L223 PolarHBondContact O-N 3.41Å |
| 220 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 179.4 | -179.9 | 64.5 | 0 | 0 | 0 | 111.2 | I139 L140 F145 M165 F168 Y169 N216 R217 L218 L222 L223 V224 | I139-L220 HydrophobicContact CB-CD2 3.92Å; I139-L220 HydrophobicContact CG2-CD2 3.43Å; I139-L220 VanDerWaalsContact CG2-CD2 3.43Å; L140-L220 HydrophobicContact CD2-CB 4.39Å; L140-L220 HydrophobicContact CD2-CD2 3.57Å; L140-L220 HydrophobicContact CD2-CG 3.71Å; L140-L220 HydrophobicContact CG-CD2 4.19Å; L140-L220 HydrophobicContact CG-CG 4.23Å; F145-L220 HydrophobicContact CD2-CD2 4.46Å; F145-L220 HydrophobicContact CE2-CD2 4.42Å; M165-L220 HydrophobicContact CE-CB 3.93Å; M165-L220 HydrophobicContact CE-CD2 3.88Å; M165-L220 HydrophobicContact CG-CD2 4.46Å; F168-L220 HydrophobicContact CD1-CD1 3.71Å; F168-L220 HydrophobicContact CE1-CD1 3.52Å; F168-L220 HydrophobicContact CG-CD1 4.42Å; F168-L220 HydrophobicContact CZ-CD1 4.08Å; Y169-L220 PolarHBondContact OH-N 3.21Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 2.89Å; R217-L220 PolarHBondContact O-N 3.23Å; L218-L220 VanDerWaalsContact C-N 3.26Å; L218-L220 PolarHBondContact O-N 2.93Å; L220-L222 VanDerWaalsContact C-N 3.35Å; L220-L222 PolarHBondContact O-N 3.4Å; L220-L223 PolarHBondContact O-N 3.15Å; L220-V224 HydrophobicContact CD1-CG2 4.37Å; L220-V224 WeakPolarHBondContact O-CG2 3.41Å; L220-V224 PolarHBondContact O-N 3.18Å |
| 221 | I | 97.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.087 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 177 | -67.1 | -172.7 | 0 | 0 | 0 | 110.8 | L140 F145 L152 R217 L218 L223 V224 L225 L267 | L140-I221 HydrophobicContact CD1-CG1 4.16Å; L140-I221 HydrophobicContact CD2-CD1 4.4Å; L140-I221 HydrophobicContact CD2-CG1 3.49Å; L140-I221 VanDerWaalsContact CD2-CG1 3.49Å; L140-I221 HydrophobicContact CG-CG1 4.49Å; F145-I221 HydrophobicContact CB-CD1 4.29Å; L152-I221 HydrophobicContact CD1-CD1 4.27Å; L152-I221 HydrophobicContact CD2-CD1 3.43Å; L152-I221 VanDerWaalsContact CD2-CD1 3.43Å; L152-I221 HydrophobicContact CD2-CG1 4.28Å; L152-I221 HydrophobicContact CG-CD1 4.35Å; R217-I221 PolarHBondContact O-N 3.16Å; L218-I221 PolarHBondContact O-N 2.82Å; I221-L223 VanDerWaalsContact C-N 3.33Å; I221-L223 PolarHBondContact O-N 3.09Å; I221-V224 PolarHBondContact O-N 3.26Å; I221-L225 WeakPolarHBondContact O-CB 3.35Å; I221-L225 PolarHBondContact O-N 3.23Å; I221-L267 HydrophobicContact CG2-CD1 3.75Å |
| 222 | L | 97.9 | Very high | 97.5 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.12 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | -179.5 | -62.7 | -170.1 | 0 | 0 | 0 | 111.7 | L218 G219 L220 H226 T264 L267 S268 I304 | L218-L222 HydrophobicContact CD1-CD1 4.03Å; L218-L222 HydrophobicContact CD1-CD2 4.17Å; L218-L222 HydrophobicContact CD1-CG 3.94Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 HydrophobicContact CG-CG 4.21Å; L218-L222 VanDerWaalsContact O-CG 3.32Å; L218-L222 WeakPolarHBondContact O-CG 3.46Å; L218-L222 PolarHBondContact O-N 3.22Å; G219-L222 PolarHBondContact O-N 2.91Å; L220-L222 VanDerWaalsContact C-N 3.35Å; L220-L222 PolarHBondContact O-N 3.4Å; L222-H226 WeakPolarHBondContact O-CB 3.25Å; L222-H226 PolarHBondContact O-N 3.16Å; L222-T264 HydrophobicContact CD1-CG2 4.38Å; L222-T264 HydrophobicContact CD2-CG2 4.02Å; L222-L267 HydrophobicContact CD2-CB 4.24Å; L222-L267 HydrophobicContact CD2-CD1 4.38Å; L222-S268 WeakPolarHBondContact CD1-OG 3.26Å; L222-I304 HydrophobicContact CD1-CD1 4.2Å |
| 223 | L | 98.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.079 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.8 | -76.7 | 168.7 | 0 | 0 | 0 | 112 | F168 Y169 I207 G219 L220 I221 L225 H226 Y227 | F168-L223 HydrophobicContact CE1-CD1 4.15Å; Y169-L223 HydrophobicContact CE1-CD1 4.07Å; I207-L223 HydrophobicContact CD1-CD2 4.31Å; I207-L223 HydrophobicContact CG1-CD1 4.02Å; I207-L223 HydrophobicContact CG1-CD2 3.78Å; G219-L223 WeakPolarHBondContact O-CB 3.34Å; G219-L223 VanDerWaalsContact O-CG 3.24Å; G219-L223 WeakPolarHBondContact O-CG 3.22Å; G219-L223 PolarHBondContact O-N 3.41Å; L220-L223 PolarHBondContact O-N 3.15Å; I221-L223 VanDerWaalsContact C-N 3.33Å; I221-L223 PolarHBondContact O-N 3.09Å; L223-L225 PolarHBondContact O-N 3.27Å; L223-H226 PolarHBondContact O-N 3.26Å; L223-Y227 HydrophobicContact CB-CE2 4.47Å; L223-Y227 HydrophobicContact CD2-CE1 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 4.36Å; L223-Y227 WeakPolarHBondContact O-CB 3.22Å; L223-Y227 VanDerWaalsContact O-CG 3.27Å; L223-Y227 PolarHBondContact O-N 3.35Å |
| 224 | V | 98.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | F133 L140 L220 I221 H226 Y227 F228 | F133-V224 HydrophobicContact CD2-CG1 3.75Å; F133-V224 HydrophobicContact CE2-CG1 3.77Å; L140-V224 HydrophobicContact CD1-CB 3.93Å; L140-V224 HydrophobicContact CD1-CG1 3.92Å; L140-V224 HydrophobicContact CD1-CG2 3.86Å; L140-V224 HydrophobicContact CG-CG2 4.39Å; L220-V224 HydrophobicContact CD1-CG2 4.37Å; L220-V224 WeakPolarHBondContact O-CG2 3.41Å; L220-V224 PolarHBondContact O-N 3.18Å; I221-V224 PolarHBondContact O-N 3.26Å; V224-H226 VanDerWaalsContact C-N 3.33Å; V224-H226 PolarHBondContact O-N 3.1Å; V224-Y227 PolarHBondContact O-N 3.01Å; V224-F228 WeakPolarHBondContact O-CB 3.44Å; V224-F228 PolarHBondContact O-N 2.79Å |
| 225 | L | 97.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 22.8 Ų | 22.8 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.2 | -179.1 | 66.8 | 0 | 0 | 0 | 111.6 | I221 L223 V229 G260 L263 T264 | I221-L225 WeakPolarHBondContact O-CB 3.35Å; I221-L225 PolarHBondContact O-N 3.23Å; L223-L225 PolarHBondContact O-N 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.2Å; L225-G260 WeakPolarHBondContact CD2-O 3.26Å; L225-L263 HydrophobicContact CD1-CD1 4.16Å; L225-L263 HydrophobicContact CD2-CB 3.64Å; L225-T264 WeakPolarHBondContact CD2-OG1 3.47Å |
| 226 | H | 98.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 10% | 0.102 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 178.9 | 179 | 82.8 | 0 | 0 | 0 | 111.9 | Y203 L222 L223 V224 F228 V229 E230 R261 | Y203-H226 AromaticContact CE1-CD2 3.64Å; Y203-H226 AromaticContact CE1-NE2 3.36Å; Y203-H226 WeakPolarHBondContact CE1-NE2 3.41Å; Y203-H226 AromaticContact CZ-NE2 3.39Å; Y203-H226 PolarHBondContact OH-NE2 3.14Å; L222-H226 WeakPolarHBondContact O-CB 3.25Å; L222-H226 PolarHBondContact O-N 3.16Å; L223-H226 PolarHBondContact O-N 3.26Å; V224-H226 VanDerWaalsContact C-N 3.33Å; V224-H226 PolarHBondContact O-N 3.1Å; H226-F228 VanDerWaalsContact C-N 3.31Å; H226-F228 PolarHBondContact O-N 3.36Å; H226-V229 PolarHBondContact O-N 3.34Å; H226-E230 IonicContact CE1-OE1 3.23Å; H226-E230 WeakPolarHBondContact NE2-CG 3.34Å; H226-E230 WeakPolarHBondContact O-CG 3.24Å; H226-E230 PolarHBondContact O-N 2.83Å; H226-R261 PolarHBondContact ND1-NH1 3.05Å; H226-R261 PolarHBondContact ND1-NH2 3.15Å; H226-R261 VanDerWaalsContact ND1-NH2 3.12Å |
| 227 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | 179.5 | -69.4 | -14.2 | 0 | 0 | 0 | 112.9 | F128 Y129 F168 Q172 W176 Y203 L223 V224 E230 L231 | F128-Y227 HydrophobicContact CE1-CE1 4.28Å; F128-Y227 HydrophobicContact CE1-CE2 4.36Å; F128-Y227 HydrophobicContact CZ-CE2 4.3Å; Y129-Y227 AromaticContact CD1-CD1 3.39Å; Y129-Y227 HydrophobicContact CD1-CD1 3.39Å; Y129-Y227 HydrophobicContact CD1-CD2 4.49Å; Y129-Y227 HydrophobicContact CD1-CE1 4.01Å; Y129-Y227 AromaticContact CD1-CG 3.7Å; Y129-Y227 HydrophobicContact CD1-CG 3.7Å; Y129-Y227 AromaticContact CE1-CD1 3.35Å; Y129-Y227 HydrophobicContact CE1-CD1 3.35Å; Y129-Y227 AromaticContact CE1-CE1 3.64Å; Y129-Y227 HydrophobicContact CE1-CE1 3.64Å; Y129-Y227 HydrophobicContact CE1-CG 4.14Å; F168-Y227 HydrophobicContact CZ-CE2 4.47Å; Q172-Y227 HydrophobicContact CG-CE2 4.48Å; Q172-Y227 VanDerWaalsContact OE1-CE2 3.3Å; W176-Y227 HydrophobicContact CZ2-CE1 4.38Å; W176-Y227 PolarHBondContact NE1-OH 3.16Å; Y203-Y227 HydrophobicContact CD1-CE1 4.24Å; Y203-Y227 AromaticContact CE1-CE1 3.72Å; Y203-Y227 HydrophobicContact CE1-CE1 3.72Å; L223-Y227 HydrophobicContact CB-CE2 4.47Å; L223-Y227 HydrophobicContact CD2-CE1 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 4.36Å; L223-Y227 WeakPolarHBondContact O-CB 3.22Å; L223-Y227 VanDerWaalsContact O-CG 3.27Å; L223-Y227 PolarHBondContact O-N 3.35Å; V224-Y227 PolarHBondContact O-N 3.01Å; Y227-E230 PolarHBondContact O-N 3.02Å; Y227-L231 WeakPolarHBondContact O-CB 3.46Å; Y227-L231 PolarHBondContact O-N 3.47Å |
| 228 | F | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 22.9 Ų | 22.9 | 29% | 0.289 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.4 | 179.1 | -114.9 | 0 | 0 | 0 | 112.1 | F133 V224 H226 L231 L232 L256 | F133-F228 HydrophobicContact CD1-CD2 4.35Å; F133-F228 HydrophobicContact CD2-CB 3.68Å; F133-F228 HydrophobicContact CD2-CD2 4.23Å; F133-F228 HydrophobicContact CD2-CG 4.37Å; F133-F228 AromaticContact CE1-CD2 3.91Å; F133-F228 HydrophobicContact CE1-CD2 3.91Å; F133-F228 HydrophobicContact CE1-CE2 4.46Å; F133-F228 HydrophobicContact CE2-CB 3.66Å; F133-F228 AromaticContact CE2-CD2 3.79Å; F133-F228 HydrophobicContact CE2-CD2 3.79Å; F133-F228 AromaticContact CE2-CG 3.97Å; F133-F228 HydrophobicContact CE2-CG 3.97Å; F133-F228 HydrophobicContact CG-CB 4.42Å; F133-F228 HydrophobicContact CZ-CB 4.38Å; F133-F228 AromaticContact CZ-CD2 3.61Å; F133-F228 HydrophobicContact CZ-CD2 3.61Å; F133-F228 HydrophobicContact CZ-CE2 4.25Å; F133-F228 HydrophobicContact CZ-CG 4.22Å; V224-F228 WeakPolarHBondContact O-CB 3.44Å; V224-F228 PolarHBondContact O-N 2.79Å; H226-F228 VanDerWaalsContact C-N 3.31Å; H226-F228 PolarHBondContact O-N 3.36Å; F228-L231 WeakPolarHBondContact O-CB 3.01Å; F228-L231 PolarHBondContact O-N 3.48Å; F228-L232 HydrophobicContact CD1-CD1 4.31Å; F228-L232 HydrophobicContact CE1-CD1 3.76Å; F228-L232 HydrophobicContact CE2-CD1 4.3Å; F228-L232 HydrophobicContact CE2-CG 4.38Å; F228-L232 HydrophobicContact CZ-CD1 3.76Å; F228-L232 HydrophobicContact CZ-CG 4.31Å; F228-L232 WeakPolarHBondContact O-CG 3.22Å; F228-L232 PolarHBondContact O-N 3.27Å; F228-L232 VanDerWaalsContact O-N 3.14Å; F228-L256 HydrophobicContact CE1-CD1 4.19Å |
| 229 | V | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 179.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L225 H226 L232 F233 F257 | L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.2Å; H226-V229 PolarHBondContact O-N 3.34Å; V229-L232 PolarHBondContact O-N 3.48Å; V229-F233 PolarHBondContact O-N 2.97Å; V229-F257 HydrophobicContact CG1-CB 3.94Å; V229-F257 HydrophobicContact CG1-CD2 3.68Å; V229-F257 HydrophobicContact CG1-CG 4.25Å |
| 230 | E | 97.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.3 | -64.2 | -56.4 | 132.3 | 0 | 0 | 112 | Y129 H226 Y227 L232 F233 H234 | Y129-E230 HydrophobicContact CD1-CB 4.38Å; Y129-E230 HydrophobicContact CD2-CB 3.78Å; Y129-E230 HydrophobicContact CE1-CB 4.12Å; Y129-E230 HydrophobicContact CE2-CB 3.48Å; Y129-E230 VanDerWaalsContact CE2-CB 3.48Å; Y129-E230 HydrophobicContact CE2-CG 4.38Å; Y129-E230 HydrophobicContact CG-CB 4.24Å; H226-E230 IonicContact CE1-OE1 3.23Å; H226-E230 WeakPolarHBondContact NE2-CG 3.34Å; H226-E230 WeakPolarHBondContact O-CG 3.24Å; H226-E230 PolarHBondContact O-N 2.83Å; Y227-E230 PolarHBondContact O-N 3.02Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 2.98Å; E230-F233 WeakPolarHBondContact O-CB 3.22Å; E230-F233 PolarHBondContact O-N 3.1Å; E230-F233 VanDerWaalsContact O-N 3.16Å; E230-H234 PolarHBondContact O-CD2 3.3Å; E230-H234 PolarHBondContact O-N 3.37Å |
| 231 | L | 98.3 | Very high | 96 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 9% | 0.089 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.3 | -48.6 | 173.5 | 176.2 | 61.2 | 0 | 0 | 0 | 111 | S126 L130 F133 Y227 F228 F233 H234 V235 | S126-L231 WeakPolarHBondContact O-CD1 3.36Å; L130-L231 HydrophobicContact CB-CD1 3.89Å; L130-L231 HydrophobicContact CB-CD2 4.29Å; L130-L231 HydrophobicContact CD1-CD2 4Å; F133-L231 HydrophobicContact CD1-CD2 4.46Å; Y227-L231 WeakPolarHBondContact O-CB 3.46Å; Y227-L231 PolarHBondContact O-N 3.47Å; F228-L231 WeakPolarHBondContact O-CB 3.01Å; F228-L231 PolarHBondContact O-N 3.48Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 2.98Å; L231-H234 PolarHBondContact O-N 3.39Å; L231-V235 HydrophobicContact CD1-CG2 3.7Å; L231-V235 HydrophobicContact CG-CG2 4.22Å; L231-V235 WeakPolarHBondContact O-CB 3.38Å; L231-V235 VanDerWaalsContact O-CG2 3.31Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 2.89Å |
| 232 | L | 97.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 31.2 Ų | 31.2 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 178.9 | -69.4 | 176 | 0 | 0 | 0 | 112.1 | F228 V229 E230 S236 W253 L256 | F228-L232 HydrophobicContact CD1-CD1 4.31Å; F228-L232 HydrophobicContact CE1-CD1 3.76Å; F228-L232 HydrophobicContact CE2-CD1 4.3Å; F228-L232 HydrophobicContact CE2-CG 4.38Å; F228-L232 HydrophobicContact CZ-CD1 3.76Å; F228-L232 HydrophobicContact CZ-CG 4.31Å; F228-L232 WeakPolarHBondContact O-CG 3.22Å; F228-L232 PolarHBondContact O-N 3.27Å; F228-L232 VanDerWaalsContact O-N 3.14Å; V229-L232 PolarHBondContact O-N 3.48Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 2.98Å; L232-S236 WeakPolarHBondContact O-CB 3.43Å; L232-S236 PolarHBondContact O-N 3.33Å; L232-S236 PolarHBondContact O-OG 2.88Å; L232-W253 HydrophobicContact CB-CB 4.38Å; L232-L256 HydrophobicContact CD1-CB 4.36Å; L232-L256 HydrophobicContact CD1-CD1 3.35Å; L232-L256 HydrophobicContact CD1-CG 4.5Å |
| 233 | F | 96.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 33 Ų | 33 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -53.4 | 174.8 | 178.2 | -109.5 | 0 | 0 | 0 | 111.6 | V229 E230 L231 S236 R237 F250 W253 | V229-F233 PolarHBondContact O-N 2.97Å; E230-F233 WeakPolarHBondContact O-CB 3.22Å; E230-F233 PolarHBondContact O-N 3.1Å; E230-F233 VanDerWaalsContact O-N 3.16Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 2.98Å; F233-S236 PolarHBondContact O-N 3.44Å; F233-R237 WeakPolarHBondContact O-CB 3.35Å; F233-R237 PolarHBondContact O-N 3.49Å; F233-F250 HydrophobicContact CD2-CD1 4.35Å; F233-F250 HydrophobicContact CD2-CE1 4.05Å; F233-F250 HydrophobicContact CE2-CD1 4.42Å; F233-F250 AromaticContact CE2-CE1 3.9Å; F233-F250 HydrophobicContact CE2-CE1 3.9Å; F233-W253 HydrophobicContact CB-CD2 4.29Å; F233-W253 HydrophobicContact CB-CG 4.14Å; F233-W253 AromaticContact CD2-CD2 3.86Å; F233-W253 HydrophobicContact CD2-CD2 3.86Å; F233-W253 AromaticContact CD2-CE2 3.65Å; F233-W253 HydrophobicContact CD2-CE3 4.15Å; F233-W253 HydrophobicContact CD2-CG 4.46Å; F233-W253 AromaticContact CD2-CH2 3.99Å; F233-W253 HydrophobicContact CD2-CH2 3.99Å; F233-W253 AromaticContact CD2-CZ2 3.71Å; F233-W253 HydrophobicContact CD2-CZ2 3.71Å; F233-W253 HydrophobicContact CD2-CZ3 4.22Å; F233-W253 HydrophobicContact CE2-CH2 4.2Å; F233-W253 HydrophobicContact CE2-CZ2 4.29Å; F233-W253 HydrophobicContact CE2-CZ3 4.46Å; F233-W253 HydrophobicContact CG-CZ2 4.33Å |
| 234 | H | 97.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.7 | -40.3 | -174.5 | -72.5 | -74.9 | 0 | 0 | 0 | 111.8 | S122 L125 S126 Y129 E230 L231 R237 L238 | S122-H234 WeakPolarHBondContact CA-ND1 3.49Å; S122-H234 PolarHBondContact OG-ND1 3.46Å; L125-H234 WeakPolarHBondContact CD1-CE1 3.49Å; S126-H234 VanDerWaalsContact OG-C 3.29Å; S126-H234 WeakPolarHBondContact OG-CB 3.27Å; Y129-H234 AromaticContact CD2-CD2 3.84Å; Y129-H234 AromaticContact CE2-CD2 3.54Å; Y129-H234 AromaticContact CE2-NE2 3.78Å; E230-H234 PolarHBondContact O-CD2 3.3Å; E230-H234 PolarHBondContact O-N 3.37Å; L231-H234 PolarHBondContact O-N 3.39Å; H234-R237 WeakPolarHBondContact O-CB 3.2Å; H234-R237 PolarHBondContact O-N 3.4Å; H234-L238 VanDerWaalsContact O-CG 3.32Å; H234-L238 WeakPolarHBondContact O-CG 3.31Å; H234-L238 PolarHBondContact O-N 3.26Å |
| 235 | V | 96.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 38% | 0.376 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | S126 L231 R237 L238 V239 | S126-V235 PolarHBondContact OG-N 3.35Å; L231-V235 HydrophobicContact CD1-CG2 3.7Å; L231-V235 HydrophobicContact CG-CG2 4.22Å; L231-V235 WeakPolarHBondContact O-CB 3.38Å; L231-V235 VanDerWaalsContact O-CG2 3.31Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 2.89Å; V235-R237 PolarHBondContact O-N 2.91Å; V235-L238 PolarHBondContact O-N 3.07Å; V235-V239 HydrophobicContact CG1-CG2 4.38Å; V235-V239 WeakPolarHBondContact O-CG2 3.38Å; V235-V239 PolarHBondContact O-N 3.43Å |
| 236 | S | 95.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | L232 F233 V239 Y240 G249 | L232-S236 WeakPolarHBondContact O-CB 3.43Å; L232-S236 PolarHBondContact O-N 3.33Å; L232-S236 PolarHBondContact O-OG 2.88Å; F233-S236 PolarHBondContact O-N 3.44Å; S236-V239 PolarHBondContact O-N 3.04Å; S236-Y240 VanDerWaalsContact O-CB 3.28Å; S236-Y240 WeakPolarHBondContact O-CB 3.24Å; S236-Y240 PolarHBondContact O-N 3.17Å; S236-G249 VanDerWaalsContact OG-CA 3.27Å; S236-G249 WeakPolarHBondContact OG-CA 3.21Å; S236-G249 PolarHBondContact OG-O 3.31Å |
| 237 | R | 93.7 | Very high | 91.7 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.2 | -172.2 | 166 | 171.7 | -158.9 | -3.9 | 112.9 | K118 E121 S122 F233 H234 V235 Y240 F241 F250 | K118-R237 VanDerWaalsContact CB-NH2 3.29Å; K118-R237 VanDerWaalsContact CD-NH2 3.32Å; E121-R237 IonicContact OE2-NH2 3.94Å; S122-R237 WeakPolarHBondContact OG-CD 3.47Å; F233-R237 WeakPolarHBondContact O-CB 3.35Å; F233-R237 PolarHBondContact O-N 3.49Å; H234-R237 WeakPolarHBondContact O-CB 3.2Å; H234-R237 PolarHBondContact O-N 3.4Å; V235-R237 PolarHBondContact O-N 2.91Å; R237-Y240 PolarHBondContact O-N 2.74Å; R237-F241 HydrophobicContact CG-CD2 4.27Å; R237-F241 HydrophobicContact CG-CE1 4.45Å; R237-F241 HydrophobicContact CG-CE2 3.67Å; R237-F241 HydrophobicContact CG-CZ 3.79Å; R237-F241 WeakPolarHBondContact O-CD2 3.49Å; R237-F241 VanDerWaalsContact O-CG 3.27Å; R237-F241 WeakPolarHBondContact O-CG 3.36Å; R237-F241 PolarHBondContact O-N 3.22Å; R237-F250 HydrophobicContact CB-CE1 4.22Å; R237-F250 HydrophobicContact CB-CZ 3.9Å; R237-F250 HydrophobicContact CG-CZ 4.38Å |
| 238 | L | 92.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 173.7 | -67.5 | 171.7 | 0 | 0 | 0 | 111.6 | F119 S126 H234 V235 F241 S242 | F119-L238 HydrophobicContact CD1-CD2 4.34Å; F119-L238 HydrophobicContact CD2-CD2 3.56Å; F119-L238 HydrophobicContact CE1-CD2 4.3Å; F119-L238 HydrophobicContact CE2-CB 4.44Å; F119-L238 HydrophobicContact CE2-CD2 3.5Å; F119-L238 VanDerWaalsContact CE2-CD2 3.5Å; F119-L238 HydrophobicContact CG-CD2 3.98Å; F119-L238 HydrophobicContact CZ-CD2 3.88Å; F119-L238 WeakPolarHBondContact O-CD2 3.47Å; S126-L238 WeakPolarHBondContact OG-CD1 3.18Å; H234-L238 VanDerWaalsContact O-CG 3.32Å; H234-L238 WeakPolarHBondContact O-CG 3.31Å; H234-L238 PolarHBondContact O-N 3.26Å; V235-L238 PolarHBondContact O-N 3.07Å; L238-F241 PolarHBondContact O-N 3.29Å; L238-S242 PolarHBondContact O-N 3.42Å; L238-S242 VanDerWaalsContact O-N 3.14Å |
| 239 | V | 91.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V235 S236 F241 S242 N243 R246 | V235-V239 HydrophobicContact CG1-CG2 4.38Å; V235-V239 WeakPolarHBondContact O-CG2 3.38Å; V235-V239 PolarHBondContact O-N 3.43Å; S236-V239 PolarHBondContact O-N 3.04Å; V239-F241 VanDerWaalsContact C-N 3.32Å; V239-F241 PolarHBondContact O-N 2.93Å; V239-S242 PolarHBondContact O-N 3.31Å; V239-S242 VanDerWaalsContact O-N 3.12Å; V239-N243 PolarHBondContact O-N 2.84Å; V239-R246 HydrophobicContact CG1-CB 3.74Å; V239-R246 HydrophobicContact CG1-CG 4.28Å |
| 240 | Y | 90.1 | Very high | 90.5 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.7 | 172.5 | -110.7 | 0 | 0 | 0 | 112.2 | S236 R237 S242 N243 E244 F250 | S236-Y240 VanDerWaalsContact O-CB 3.28Å; S236-Y240 WeakPolarHBondContact O-CB 3.24Å; S236-Y240 PolarHBondContact O-N 3.17Å; R237-Y240 PolarHBondContact O-N 2.74Å; Y240-S242 VanDerWaalsContact C-N 3.27Å; Y240-S242 PolarHBondContact O-N 2.98Å; Y240-N243 CarbonylContact O-C 3.58Å; Y240-N243 PolarHBondContact O-N 2.87Å; Y240-E244 HydrophobicContact CD2-CB 4.22Å; Y240-E244 HydrophobicContact CD2-CG 4.36Å; Y240-E244 VanDerWaalsContact CE2-CA 3.43Å; Y240-E244 HydrophobicContact CE2-CB 3.58Å; Y240-E244 HydrophobicContact CE2-CG 3.76Å; Y240-E244 WeakPolarHBondContact CE2-O 3.35Å; Y240-E244 PolarHBondContact O-N 3.17Å; Y240-F250 HydrophobicContact CD1-CE2 4.2Å; Y240-F250 AromaticContact CG-CE2 3.87Å; Y240-F250 HydrophobicContact CG-CE2 3.87Å |
| 241 | F | 87.8 | Confident | 90.2 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -30.5 | 176.1 | -70 | -26 | 0 | 0 | 0 | 113.2 | F111 K115 K118 F119 R237 L238 V239 | F111-F241 WeakPolarHBondContact CE1-O 3.48Å; F111-F241 HydrophobicContact CZ-CB 4.48Å; K115-F241 HydrophobicContact CD-CD1 4.25Å; K115-F241 VanDerWaalsContact CE-CA 3.47Å; K115-F241 WeakPolarHBondContact CE-O 3.3Å; K115-F241 HydrophobicContact CG-CB 4.44Å; K115-F241 HydrophobicContact CG-CD1 3.92Å; K115-F241 HydrophobicContact CG-CE1 4.27Å; K115-F241 HydrophobicContact CG-CG 4.07Å; K115-F241 PolarHBondContact NZ-O 2.87Å; K118-F241 HydrophobicContact CB-CE2 3.76Å; K118-F241 HydrophobicContact CB-CZ 3.72Å; K118-F241 HydrophobicContact CD-CZ 4.34Å; F119-F241 HydrophobicContact CB-CD2 4Å; F119-F241 HydrophobicContact CB-CE2 4.4Å; F119-F241 HydrophobicContact CD2-CB 4.11Å; F119-F241 AromaticContact CD2-CD2 3.99Å; F119-F241 HydrophobicContact CD2-CD2 3.99Å; F119-F241 HydrophobicContact CG-CD2 4.5Å; R237-F241 HydrophobicContact CG-CD2 4.27Å; R237-F241 HydrophobicContact CG-CE1 4.45Å; R237-F241 HydrophobicContact CG-CE2 3.67Å; R237-F241 HydrophobicContact CG-CZ 3.79Å; R237-F241 WeakPolarHBondContact O-CD2 3.49Å; R237-F241 VanDerWaalsContact O-CG 3.27Å; R237-F241 WeakPolarHBondContact O-CG 3.36Å; R237-F241 PolarHBondContact O-N 3.22Å; L238-F241 PolarHBondContact O-N 3.29Å; V239-F241 VanDerWaalsContact C-N 3.32Å; V239-F241 PolarHBondContact O-N 2.93Å |
| 242 | S | 83.4 | Confident | 90 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.1 | -33.5 | 172.7 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | K109 L238 V239 Y240 | K109-S242 PolarHBondContact NZ-OG 2.93Å; L238-S242 PolarHBondContact O-N 3.42Å; L238-S242 VanDerWaalsContact O-N 3.14Å; V239-S242 PolarHBondContact O-N 3.31Å; V239-S242 VanDerWaalsContact O-N 3.12Å; Y240-S242 VanDerWaalsContact C-N 3.27Å; Y240-S242 PolarHBondContact O-N 2.98Å |
| 243 | N | 83.6 | Confident | 89.9 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | trans | -150.7 | 110.4 | 178.3 | -175.6 | -13.5 | 0 | 0 | 0 | 110.4 | V239 Y240 N245 R246 | V239-N243 PolarHBondContact O-N 2.84Å; Y240-N243 CarbonylContact O-C 3.58Å; Y240-N243 PolarHBondContact O-N 2.87Å; N243-N245 PolarHBondContact O-N 3.22Å; N243-N245 VanDerWaalsContact O-N 3.15Å; N243-N245 WeakPolarHBondContact OD1-CB 3.48Å; N243-N245 PolarHBondContact OD1-N 3.05Å; N243-N245 VanDerWaalsContact OD1-N 3.08Å; N243-R246 HydrophobicContact CB-CG 4.15Å; N243-R246 PolarHBondContact O-N 2.84Å | ||
| 244 | E | 82.1 | Confident | 89.8 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.6 | -172 | -65.3 | -178.8 | -174.2 | 0 | 0 | 113.4 | K115 Y240 R246 Q247 | K115-E244 IonicContact NZ-OE1 2.87Å; K115-E244 PolarHBondContact NZ-OE1 3.44Å; Y240-E244 HydrophobicContact CD2-CB 4.22Å; Y240-E244 HydrophobicContact CD2-CG 4.36Å; Y240-E244 VanDerWaalsContact CE2-CA 3.43Å; Y240-E244 HydrophobicContact CE2-CB 3.58Å; Y240-E244 HydrophobicContact CE2-CG 3.76Å; Y240-E244 WeakPolarHBondContact CE2-O 3.35Å; Y240-E244 PolarHBondContact O-N 3.17Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 3.02Å; E244-Q247 PolarHBondContact O-NE2 2.89Å |
| 245 | N | 80.6 | Confident | 89.8 | Confident | 146 Ų | 146 | 63.3 Ų | 63.3 | 78% | 0.781 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.4 | 174.3 | -62.8 | -26.1 | 0 | 0 | 0 | 112.9 | N243 Q247 | N243-N245 PolarHBondContact O-N 3.22Å; N243-N245 VanDerWaalsContact O-N 3.15Å; N243-N245 WeakPolarHBondContact OD1-CB 3.48Å; N243-N245 PolarHBondContact OD1-N 3.05Å; N243-N245 VanDerWaalsContact OD1-N 3.08Å; N245-Q247 PolarHBondContact O-N 3.41Å; N245-Q247 VanDerWaalsContact O-N 3.11Å |
| 246 | R | 82.7 | Confident | 89.8 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | trans | -89 | 68.1 | -177.2 | -66.1 | -173.9 | 179 | -173.1 | -0.9 | 112 | V239 N243 E244 | V239-R246 HydrophobicContact CG1-CB 3.74Å; V239-R246 HydrophobicContact CG1-CG 4.28Å; N243-R246 HydrophobicContact CB-CG 4.15Å; N243-R246 PolarHBondContact O-N 2.84Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 3.02Å | ||
| 247 | Q | 84.4 | Confident | 89.9 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | trans | -84.6 | -16.2 | 180 | -68.2 | -70 | -20.9 | 0 | 0 | 114.4 | E244 N245 G249 F250 | E244-Q247 PolarHBondContact O-NE2 2.89Å; N245-Q247 PolarHBondContact O-N 3.41Å; N245-Q247 VanDerWaalsContact O-N 3.11Å; Q247-G249 PolarHBondContact O-N 2.8Å; Q247-G249 VanDerWaalsContact O-N 3.14Å; Q247-F250 PolarHBondContact O-N 3.35Å | ||
| 248 | M | 88.3 | Confident | 90.1 | Very high | 134 Ų | 134 | 63.3 Ų | 63.3 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.7 | -36.7 | -172.9 | -172.5 | 65.2 | 83.1 | 0 | 0 | 112.9 | F250 T251 I252 | M248-F250 VanDerWaalsContact C-N 3.29Å; M248-F250 PolarHBondContact O-N 2.96Å; M248-T251 WeakPolarHBondContact O-CB 3.31Å; M248-T251 PolarHBondContact O-N 3.39Å; M248-I252 HydrophobicContact CG-CD1 4.08Å; M248-I252 PolarHBondContact O-N 3.48Å |
| 249 | G | 90.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S236 Q247 T251 I252 W253 | S236-G249 VanDerWaalsContact OG-CA 3.27Å; S236-G249 WeakPolarHBondContact OG-CA 3.21Å; S236-G249 PolarHBondContact OG-O 3.31Å; Q247-G249 PolarHBondContact O-N 2.8Å; Q247-G249 VanDerWaalsContact O-N 3.14Å; G249-T251 VanDerWaalsContact C-N 3.32Å; G249-T251 PolarHBondContact O-N 2.96Å; G249-I252 PolarHBondContact O-N 3.26Å; G249-W253 VanDerWaalsContact O-CB 3.31Å; G249-W253 WeakPolarHBondContact O-CB 3.45Å; G249-W253 PolarHBondContact O-N 3.44Å |
| 250 | F | 90.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 176.3 | -72.1 | -62.5 | 0 | 0 | 0 | 113 | F233 R237 Y240 Q247 M248 W253 A254 | F233-F250 HydrophobicContact CD2-CD1 4.35Å; F233-F250 HydrophobicContact CD2-CE1 4.05Å; F233-F250 HydrophobicContact CE2-CD1 4.42Å; F233-F250 AromaticContact CE2-CE1 3.9Å; F233-F250 HydrophobicContact CE2-CE1 3.9Å; R237-F250 HydrophobicContact CB-CE1 4.22Å; R237-F250 HydrophobicContact CB-CZ 3.9Å; R237-F250 HydrophobicContact CG-CZ 4.38Å; Y240-F250 HydrophobicContact CD1-CE2 4.2Å; Y240-F250 AromaticContact CG-CE2 3.87Å; Y240-F250 HydrophobicContact CG-CE2 3.87Å; Q247-F250 PolarHBondContact O-N 3.35Å; M248-F250 VanDerWaalsContact C-N 3.29Å; M248-F250 PolarHBondContact O-N 2.96Å; F250-W253 HydrophobicContact CD1-CE3 4.4Å; F250-A254 VanDerWaalsContact O-CB 3.29Å; F250-A254 WeakPolarHBondContact O-CB 3.48Å; F250-A254 PolarHBondContact O-N 2.83Å |
| 251 | T | 91.1 | Very high | 90.9 | Very high | 76 Ų | 76 | 60 Ų | 60 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -46.8 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | M248 G249 W253 A254 V255 | M248-T251 WeakPolarHBondContact O-CB 3.31Å; M248-T251 PolarHBondContact O-N 3.39Å; G249-T251 VanDerWaalsContact C-N 3.32Å; G249-T251 PolarHBondContact O-N 2.96Å; T251-W253 VanDerWaalsContact C-N 3.35Å; T251-W253 PolarHBondContact O-N 3.18Å; T251-A254 PolarHBondContact O-N 3.39Å; T251-V255 PolarHBondContact O-N 2.98Å |
| 252 | I | 94.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 176.2 | -66.7 | 170 | 0 | 0 | 0 | 110.2 | M248 G249 A254 V255 L256 | M248-I252 HydrophobicContact CG-CD1 4.08Å; M248-I252 PolarHBondContact O-N 3.48Å; G249-I252 PolarHBondContact O-N 3.26Å; I252-A254 PolarHBondContact O-N 3.37Å; I252-V255 PolarHBondContact O-N 3.44Å; I252-L256 HydrophobicContact CG2-CD1 3.73Å; I252-L256 HydrophobicContact CG2-CG 4.48Å; I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 WeakPolarHBondContact O-CG 3.37Å; I252-L256 PolarHBondContact O-N 3.49Å |
| 253 | W | 95.8 | Very high | 92 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 175.4 | 164.7 | 73.1 | 0 | 0 | 0 | 112 | L232 F233 G249 F250 T251 V255 L256 F257 F315 F318 | L232-W253 HydrophobicContact CB-CB 4.38Å; F233-W253 HydrophobicContact CB-CD2 4.29Å; F233-W253 HydrophobicContact CB-CG 4.14Å; F233-W253 AromaticContact CD2-CD2 3.86Å; F233-W253 HydrophobicContact CD2-CD2 3.86Å; F233-W253 AromaticContact CD2-CE2 3.65Å; F233-W253 HydrophobicContact CD2-CE3 4.15Å; F233-W253 HydrophobicContact CD2-CG 4.46Å; F233-W253 AromaticContact CD2-CH2 3.99Å; F233-W253 HydrophobicContact CD2-CH2 3.99Å; F233-W253 AromaticContact CD2-CZ2 3.71Å; F233-W253 HydrophobicContact CD2-CZ2 3.71Å; F233-W253 HydrophobicContact CD2-CZ3 4.22Å; F233-W253 HydrophobicContact CE2-CH2 4.2Å; F233-W253 HydrophobicContact CE2-CZ2 4.29Å; F233-W253 HydrophobicContact CE2-CZ3 4.46Å; F233-W253 HydrophobicContact CG-CZ2 4.33Å; G249-W253 VanDerWaalsContact O-CB 3.31Å; G249-W253 WeakPolarHBondContact O-CB 3.45Å; G249-W253 PolarHBondContact O-N 3.44Å; F250-W253 HydrophobicContact CD1-CE3 4.4Å; T251-W253 VanDerWaalsContact C-N 3.35Å; T251-W253 PolarHBondContact O-N 3.18Å; W253-V255 VanDerWaalsContact C-N 3.32Å; W253-V255 PolarHBondContact O-N 3.44Å; W253-L256 PolarHBondContact O-N 3.14Å; W253-F257 AromaticContact CZ2-CD2 3.97Å; W253-F257 HydrophobicContact CZ2-CD2 3.97Å; W253-F257 HydrophobicContact CZ2-CG 4.35Å; W253-F257 AromaticContact NE1-CD2 4Å; W253-F257 WeakPolarHBondContact O-CB 3.34Å; W253-F257 PolarHBondContact O-N 3.39Å; W253-F315 AromaticContact CH2-CD2 3.69Å; W253-F315 HydrophobicContact CH2-CD2 3.69Å; W253-F315 AromaticContact CH2-CE2 3.8Å; W253-F315 HydrophobicContact CH2-CE2 3.8Å; W253-F315 HydrophobicContact CZ2-CD2 4.23Å; W253-F315 HydrophobicContact CZ2-CE2 4.44Å; W253-F315 HydrophobicContact CZ3-CD2 4.23Å; W253-F315 AromaticContact CZ3-CE2 3.88Å; W253-F315 HydrophobicContact CZ3-CE2 3.88Å; W253-F318 HydrophobicContact CH2-CD1 4.5Å; W253-F318 HydrophobicContact CH2-CE1 4.47Å; W253-F318 HydrophobicContact CZ3-CD1 4.49Å; W253-F318 HydrophobicContact CZ3-CE1 4.15Å |
| 254 | A | 95.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 62 Ų | 62 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F250 T251 I252 V258 F315 | F250-A254 VanDerWaalsContact O-CB 3.29Å; F250-A254 WeakPolarHBondContact O-CB 3.48Å; F250-A254 PolarHBondContact O-N 2.83Å; T251-A254 PolarHBondContact O-N 3.39Å; I252-A254 PolarHBondContact O-N 3.37Å; A254-V258 PolarHBondContact O-N 2.92Å; A254-F315 HydrophobicContact CB-CE2 4.05Å; A254-F315 HydrophobicContact CB-CZ 3.99Å |
| 255 | V | 95.8 | Very high | 93.4 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -50.4 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | T251 I252 W253 F257 V258 I259 | T251-V255 PolarHBondContact O-N 2.98Å; I252-V255 PolarHBondContact O-N 3.44Å; W253-V255 VanDerWaalsContact C-N 3.32Å; W253-V255 PolarHBondContact O-N 3.44Å; V255-F257 VanDerWaalsContact C-N 3.26Å; V255-F257 PolarHBondContact O-N 2.86Å; V255-V258 PolarHBondContact O-N 2.86Å; V255-I259 HydrophobicContact CG1-CD1 3.9Å; V255-I259 WeakPolarHBondContact O-CG1 3.14Å; V255-I259 PolarHBondContact O-N 2.88Å; V255-I259 VanDerWaalsContact O-N 3.14Å |
| 256 | L | 96.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -27.6 | -179.1 | -70.3 | 174.3 | 0 | 0 | 0 | 112.9 | F228 L232 I252 W253 I259 G260 | F228-L256 HydrophobicContact CE1-CD1 4.19Å; L232-L256 HydrophobicContact CD1-CB 4.36Å; L232-L256 HydrophobicContact CD1-CD1 3.35Å; L232-L256 HydrophobicContact CD1-CG 4.5Å; I252-L256 HydrophobicContact CG2-CD1 3.73Å; I252-L256 HydrophobicContact CG2-CG 4.48Å; I252-L256 WeakPolarHBondContact O-CB 3.49Å; I252-L256 WeakPolarHBondContact O-CG 3.37Å; I252-L256 PolarHBondContact O-N 3.49Å; W253-L256 PolarHBondContact O-N 3.14Å; L256-I259 HydrophobicContact CD2-CD1 4.43Å; L256-G260 PolarHBondContact O-N 3.48Å |
| 257 | F | 97.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -53.6 | 172.7 | 178.6 | -88.1 | 0 | 0 | 0 | 110 | V229 W253 V255 I259 G260 R261 M311 M312 F315 | V229-F257 HydrophobicContact CG1-CB 3.94Å; V229-F257 HydrophobicContact CG1-CD2 3.68Å; V229-F257 HydrophobicContact CG1-CG 4.25Å; W253-F257 AromaticContact CZ2-CD2 3.97Å; W253-F257 HydrophobicContact CZ2-CD2 3.97Å; W253-F257 HydrophobicContact CZ2-CG 4.35Å; W253-F257 AromaticContact NE1-CD2 4Å; W253-F257 WeakPolarHBondContact O-CB 3.34Å; W253-F257 PolarHBondContact O-N 3.39Å; V255-F257 VanDerWaalsContact C-N 3.26Å; V255-F257 PolarHBondContact O-N 2.86Å; F257-I259 PolarHBondContact O-N 2.66Å; F257-G260 PolarHBondContact O-N 2.69Å; F257-R261 HydrophobicContact CD1-CG 4.19Å; F257-R261 HydrophobicContact CE1-CG 3.86Å; F257-R261 HydrophobicContact CZ-CG 4.12Å; F257-R261 VanDerWaalsContact O-CG 3.31Å; F257-R261 WeakPolarHBondContact O-CG 3.06Å; F257-R261 PolarHBondContact O-N 3.35Å; F257-M311 HydrophobicContact CZ-CB 4.25Å; F257-M312 HydrophobicContact CE1-CE 4.28Å; F257-M312 HydrophobicContact CE1-SD 4.25Å; F257-F315 HydrophobicContact CB-CE2 4.43Å; F257-F315 HydrophobicContact CD1-CB 4.15Å; F257-F315 HydrophobicContact CD1-CD1 4.06Å; F257-F315 AromaticContact CD1-CD2 3.57Å; F257-F315 HydrophobicContact CD1-CD2 3.57Å; F257-F315 HydrophobicContact CD1-CE1 4.36Å; F257-F315 AromaticContact CD1-CE2 3.91Å; F257-F315 HydrophobicContact CD1-CE2 3.91Å; F257-F315 AromaticContact CD1-CG 3.66Å; F257-F315 HydrophobicContact CD1-CG 3.66Å; F257-F315 HydrophobicContact CD1-CZ 4.29Å; F257-F315 HydrophobicContact CE1-CB 3.41Å; F257-F315 VanDerWaalsContact CE1-CB 3.41Å; F257-F315 AromaticContact CE1-CD1 4Å; F257-F315 HydrophobicContact CE1-CD1 4Å; F257-F315 AromaticContact CE1-CD2 3.74Å; F257-F315 HydrophobicContact CE1-CD2 3.74Å; F257-F315 AromaticContact CE1-CG 3.44Å; F257-F315 HydrophobicContact CE1-CG 3.44Å; F257-F315 VanDerWaalsContact CE1-CG 3.44Å; F257-F315 HydrophobicContact CG-CD2 4.07Å; F257-F315 HydrophobicContact CG-CE2 4.27Å; F257-F315 HydrophobicContact CZ-CB 3.78Å; F257-F315 HydrophobicContact CZ-CD2 4.34Å; F257-F315 HydrophobicContact CZ-CG 4.19Å |
| 258 | V | 97.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 111 | A254 V255 G260 R261 L262 F315 | A254-V258 PolarHBondContact O-N 2.92Å; V255-V258 PolarHBondContact O-N 2.86Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 PolarHBondContact O-N 3.23Å; V258-R261 PolarHBondContact O-N 3.09Å; V258-L262 HydrophobicContact CG1-CD1 4.21Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 2.86Å; V258-F315 HydrophobicContact CG2-CE1 3.95Å; V258-F315 HydrophobicContact CG2-CZ 4.27Å |
| 259 | I | 97.6 | Very high | 95.9 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.1 | -66 | 170.4 | 0 | 0 | 0 | 110.8 | V255 L256 F257 R261 L262 L263 | V255-I259 HydrophobicContact CG1-CD1 3.9Å; V255-I259 WeakPolarHBondContact O-CG1 3.14Å; V255-I259 PolarHBondContact O-N 2.88Å; V255-I259 VanDerWaalsContact O-N 3.14Å; L256-I259 HydrophobicContact CD2-CD1 4.43Å; F257-I259 PolarHBondContact O-N 2.66Å; I259-R261 VanDerWaalsContact C-N 3.33Å; I259-R261 PolarHBondContact O-N 3.43Å; I259-L262 PolarHBondContact O-N 3.44Å; I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.24Å; I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 3.04Å |
| 260 | G | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L225 L256 F257 V258 T264 | L225-G260 WeakPolarHBondContact CD2-O 3.26Å; L256-G260 PolarHBondContact O-N 3.48Å; F257-G260 PolarHBondContact O-N 2.69Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 PolarHBondContact O-N 3.23Å; G260-T264 WeakPolarHBondContact O-CB 3.45Å; G260-T264 PolarHBondContact O-N 3.05Å; G260-T264 PolarHBondContact O-OG1 3.33Å |
| 261 | R | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 174.3 | -57.6 | -62.4 | 75.2 | 124.3 | 6.2 | 111.6 | H226 F257 V258 I259 T264 L265 M311 M312 | H226-R261 PolarHBondContact ND1-NH1 3.05Å; H226-R261 PolarHBondContact ND1-NH2 3.15Å; H226-R261 VanDerWaalsContact ND1-NH2 3.12Å; F257-R261 HydrophobicContact CD1-CG 4.19Å; F257-R261 HydrophobicContact CE1-CG 3.86Å; F257-R261 HydrophobicContact CZ-CG 4.12Å; F257-R261 VanDerWaalsContact O-CG 3.31Å; F257-R261 WeakPolarHBondContact O-CG 3.06Å; F257-R261 PolarHBondContact O-N 3.35Å; V258-R261 PolarHBondContact O-N 3.09Å; I259-R261 VanDerWaalsContact C-N 3.33Å; I259-R261 PolarHBondContact O-N 3.43Å; R261-T264 WeakPolarHBondContact O-CB 3.4Å; R261-T264 PolarHBondContact O-N 3.4Å; R261-L265 WeakPolarHBondContact O-CG 3.45Å; R261-L265 PolarHBondContact O-N 3Å; R261-M311 PolarHBondContact NH1-SD 2.9Å; R261-M311 VanDerWaalsContact NH1-SD 3.4Å; R261-M312 HydrophobicContact CB-CE 3.89Å; R261-M312 HydrophobicContact CG-CE 3.84Å |
| 262 | L | 97.2 | Very high | 96.7 | Very high | 102 Ų | 102 | 42 Ų | 42 | 53% | 0.534 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.7 | -68.9 | 174.7 | 0 | 0 | 0 | 111.4 | V258 I259 T264 L265 S266 | V258-L262 HydrophobicContact CG1-CD1 4.21Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 2.86Å; I259-L262 PolarHBondContact O-N 3.44Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 2.87Å; L262-S266 WeakPolarHBondContact O-CB 3.37Å; L262-S266 PolarHBondContact O-N 3.38Å; L262-S266 PolarHBondContact O-OG 3.22Å; L262-S266 VanDerWaalsContact O-OG 3.05Å |
| 263 | L | 96.9 | Very high | 96.8 | Very high | 80 Ų | 80 | 39 Ų | 39 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 176.4 | -73.1 | 175.2 | 0 | 0 | 0 | 112.1 | L225 I259 L265 S266 L267 | L225-L263 HydrophobicContact CD1-CD1 4.16Å; L225-L263 HydrophobicContact CD2-CB 3.64Å; I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.24Å; I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 3.04Å; L263-L265 PolarHBondContact O-N 3.22Å; L263-S266 PolarHBondContact O-N 3.24Å; L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 VanDerWaalsContact O-CG 3.3Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 2.94Å |
| 264 | T | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.1 | L222 L225 G260 R261 L262 S268 I304 Q308 | L222-T264 HydrophobicContact CD1-CG2 4.38Å; L222-T264 HydrophobicContact CD2-CG2 4.02Å; L225-T264 WeakPolarHBondContact CD2-OG1 3.47Å; G260-T264 WeakPolarHBondContact O-CB 3.45Å; G260-T264 PolarHBondContact O-N 3.05Å; G260-T264 PolarHBondContact O-OG1 3.33Å; R261-T264 WeakPolarHBondContact O-CB 3.4Å; R261-T264 PolarHBondContact O-N 3.4Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.47Å; T264-S268 VanDerWaalsContact O-CB 3.31Å; T264-S268 WeakPolarHBondContact O-CB 3.42Å; T264-S268 PolarHBondContact O-N 3.43Å; T264-S268 VanDerWaalsContact O-N 3.09Å; T264-S268 PolarHBondContact O-OG 3.14Å; T264-I304 HydrophobicContact CG2-CG2 4.2Å; T264-Q308 HydrophobicContact CG2-CG 4.2Å |
| 265 | L | 97.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.1 | -48.6 | 178.6 | -71.2 | 171.5 | 0 | 0 | 0 | 111.6 | R261 L262 L263 L267 S268 V269 I304 Q308 | R261-L265 WeakPolarHBondContact O-CG 3.45Å; R261-L265 PolarHBondContact O-N 3Å; L262-L265 PolarHBondContact O-N 2.87Å; L263-L265 PolarHBondContact O-N 3.22Å; L265-L267 PolarHBondContact O-N 3.02Å; L265-S268 PolarHBondContact O-N 3.34Å; L265-V269 WeakPolarHBondContact O-CB 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.33Å; L265-V269 PolarHBondContact O-N 3.01Å; L265-I304 HydrophobicContact CD2-CG2 4.49Å; L265-Q308 HydrophobicContact CD1-CB 4.39Å; L265-Q308 HydrophobicContact CD2-CB 3.99Å; L265-Q308 HydrophobicContact CD2-CG 3.67Å; L265-Q308 HydrophobicContact CG-CB 4.24Å; L265-Q308 HydrophobicContact CG-CG 3.92Å |
| 266 | S | 96.6 | Very high | 96.7 | Very high | 74 Ų | 74 | 40 Ų | 40 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -47.9 | -179.1 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | L262 L263 S268 L270 | L262-S266 WeakPolarHBondContact O-CB 3.37Å; L262-S266 PolarHBondContact O-N 3.38Å; L262-S266 PolarHBondContact O-OG 3.22Å; L262-S266 VanDerWaalsContact O-OG 3.05Å; L263-S266 PolarHBondContact O-N 3.24Å; S266-S268 PolarHBondContact O-N 3.02Å; S266-L270 WeakPolarHBondContact O-CB 3.19Å; S266-L270 PolarHBondContact O-N 3.42Å |
| 267 | L | 96.6 | Very high | 96.6 | Very high | 38 Ų | 38 | 39 Ų | 39 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 178.6 | -71 | 171.1 | 0 | 0 | 0 | 112.2 | L152 L218 I221 L222 L263 L265 T271 | L152-L267 HydrophobicContact CD1-CD2 4.21Å; L218-L267 HydrophobicContact CD1-CB 4.44Å; I221-L267 HydrophobicContact CG2-CD1 3.75Å; L222-L267 HydrophobicContact CD2-CB 4.24Å; L222-L267 HydrophobicContact CD2-CD1 4.38Å; L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 VanDerWaalsContact O-CG 3.3Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 2.94Å; L265-L267 PolarHBondContact O-N 3.02Å; L267-T271 VanDerWaalsContact O-CB 3.24Å; L267-T271 WeakPolarHBondContact O-CB 3.31Å; L267-T271 PolarHBondContact O-N 2.81Å; L267-T271 PolarHBondContact O-OG1 3.18Å |
| 268 | S | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -45.8 | 179.1 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L222 T264 L265 S266 T271 V272 L301 I304 | L222-S268 WeakPolarHBondContact CD1-OG 3.26Å; T264-S268 VanDerWaalsContact O-CB 3.31Å; T264-S268 WeakPolarHBondContact O-CB 3.42Å; T264-S268 PolarHBondContact O-N 3.43Å; T264-S268 VanDerWaalsContact O-N 3.09Å; T264-S268 PolarHBondContact O-OG 3.14Å; L265-S268 PolarHBondContact O-N 3.34Å; S266-S268 PolarHBondContact O-N 3.02Å; S268-T271 PolarHBondContact O-N 3.36Å; S268-V272 WeakPolarHBondContact O-CB 3.44Å; S268-V272 PolarHBondContact O-N 3.5Å; S268-L301 WeakPolarHBondContact O-CD2 3.47Å; S268-I304 WeakPolarHBondContact OG-CD1 3.24Å |
| 269 | V | 97 | Very high | 96.1 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.345 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -65.5 | -43.9 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L265 T271 G273 F274 L301 | L265-V269 WeakPolarHBondContact O-CB 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.33Å; L265-V269 PolarHBondContact O-N 3.01Å; V269-T271 PolarHBondContact O-N 3.25Å; V269-G273 CarbonylContact O-C 3.55Å; V269-G273 WeakPolarHBondContact O-CA 3.07Å; V269-G273 PolarHBondContact O-N 3.12Å; V269-F274 HydrophobicContact CG1-CD2 3.91Å; V269-F274 HydrophobicContact CG1-CE2 3.6Å; V269-F274 PolarHBondContact O-N 2.94Å; V269-L301 HydrophobicContact CG2-CD2 4.27Å |
| 270 | L | 96.3 | Very high | 95.7 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 36% | 0.356 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -59.6 | -48.5 | 176.6 | -177.7 | 64.6 | 0 | 0 | 0 | 111.4 | W153 S266 F274 G275 | W153-L270 HydrophobicContact CH2-CD1 4.22Å; W153-L270 HydrophobicContact CH2-CD2 4.06Å; W153-L270 HydrophobicContact CH2-CG 3.83Å; W153-L270 HydrophobicContact CZ3-CD2 4.04Å; W153-L270 HydrophobicContact CZ3-CG 3.79Å; S266-L270 WeakPolarHBondContact O-CB 3.19Å; S266-L270 PolarHBondContact O-N 3.42Å; L270-F274 PolarHBondContact O-N 2.77Å; L270-G275 PolarHBondContact O-N 3.18Å |
| 271 | T | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -73.5 | -54.7 | -175.2 | -54.1 | 0 | 0 | 0 | 0 | 112 | L152 W153 L218 L267 S268 V269 G275 L276 | L152-T271 HydrophobicContact CB-CG2 3.85Å; W153-T271 HydrophobicContact CB-CG2 4.01Å; W153-T271 HydrophobicContact CE3-CG2 4.09Å; L218-T271 HydrophobicContact CB-CG2 4.34Å; L218-T271 HydrophobicContact CD1-CG2 4.41Å; L218-T271 HydrophobicContact CD2-CG2 4.01Å; L218-T271 HydrophobicContact CG-CG2 4.48Å; L267-T271 VanDerWaalsContact O-CB 3.24Å; L267-T271 WeakPolarHBondContact O-CB 3.31Å; L267-T271 PolarHBondContact O-N 2.81Å; L267-T271 PolarHBondContact O-OG1 3.18Å; S268-T271 PolarHBondContact O-N 3.36Å; V269-T271 PolarHBondContact O-N 3.25Å; T271-G275 WeakPolarHBondContact O-CA 3.39Å; T271-G275 PolarHBondContact O-N 2.84Å; T271-L276 WeakPolarHBondContact O-CG 3.36Å; T271-L276 PolarHBondContact O-N 3Å |
| 272 | V | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -88.5 | -38.8 | -171.6 | -177 | 0 | 0 | 0 | 0 | 111.6 | L218 S268 L276 R297 V300 L301 | L218-V272 HydrophobicContact CD2-CG2 3.7Å; S268-V272 WeakPolarHBondContact O-CB 3.44Å; S268-V272 PolarHBondContact O-N 3.5Å; V272-L276 HydrophobicContact CG2-CD1 4.48Å; V272-R297 HydrophobicContact CG1-CB 3.8Å; V272-R297 HydrophobicContact CG1-CG 3.86Å; V272-R297 WeakPolarHBondContact O-CD 3.26Å; V272-V300 HydrophobicContact CG1-CB 4.46Å; V272-V300 HydrophobicContact CG1-CG1 4.42Å; V272-V300 HydrophobicContact CG2-CG1 4.15Å; V272-L301 HydrophobicContact CB-CD1 4.46Å; V272-L301 HydrophobicContact CB-CD2 3.98Å; V272-L301 HydrophobicContact CB-CG 4.06Å; V272-L301 HydrophobicContact CG1-CD1 4.2Å; V272-L301 HydrophobicContact CG1-CD2 4.35Å; V272-L301 HydrophobicContact CG1-CG 3.87Å |
| 273 | G | 95.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -79 | -36.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V269 S277 | V269-G273 CarbonylContact O-C 3.55Å; V269-G273 WeakPolarHBondContact O-CA 3.07Å; V269-G273 PolarHBondContact O-N 3.12Å; G273-S277 WeakPolarHBondContact O-CB 3.41Å; G273-S277 PolarHBondContact O-OG 3.4Å |
| 274 | F | 94.9 | Very high | 94.8 | Very high | 130 Ų | 130 | 53.9 Ų | 53.9 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | I | π-helix | trans | -111.7 | -55.8 | -179.8 | -66.6 | -70.5 | 0 | 0 | 0 | 112.6 | V269 L270 S277 T278 | V269-F274 HydrophobicContact CG1-CD2 3.91Å; V269-F274 HydrophobicContact CG1-CE2 3.6Å; V269-F274 PolarHBondContact O-N 2.94Å; L270-F274 PolarHBondContact O-N 2.77Å; F274-S277 WeakPolarHBondContact CA-OG 3.49Å; F274-S277 PolarHBondContact O-N 3.32Å; F274-S277 PolarHBondContact O-OG 2.69Å; F274-T278 PolarHBondContact O-N 3.46Å; F274-T278 VanDerWaalsContact O-N 3.12Å; F274-T278 PolarHBondContact O-OG1 2.65Å; F274-T278 VanDerWaalsContact O-OG1 3.09Å |
| 275 | G | 95.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -57.6 | -63.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W153 L270 T271 S277 T278 A279 | W153-G275 VanDerWaalsContact CD1-CA 3.47Å; L270-G275 PolarHBondContact O-N 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.39Å; T271-G275 PolarHBondContact O-N 2.84Å; G275-S277 PolarHBondContact O-N 2.75Å; G275-T278 PolarHBondContact O-N 3.21Å; G275-A279 PolarHBondContact O-N 2.84Å; G275-A279 VanDerWaalsContact O-N 3.15Å |
| 276 | L | 95.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -26.3 | 176.4 | -67.4 | 179.4 | 0 | 0 | 0 | 112.7 | W153 Y156 L215 T271 V272 T278 N292 | W153-L276 HydrophobicContact CB-CD2 3.82Å; W153-L276 HydrophobicContact CB-CG 3.99Å; Y156-L276 HydrophobicContact CD1-CD2 3.66Å; Y156-L276 HydrophobicContact CD2-CD2 4.05Å; Y156-L276 HydrophobicContact CE1-CD2 4.44Å; Y156-L276 HydrophobicContact CG-CD2 3.44Å; Y156-L276 VanDerWaalsContact CG-CD2 3.44Å; L215-L276 HydrophobicContact CD2-CD1 3.74Å; T271-L276 WeakPolarHBondContact O-CG 3.36Å; T271-L276 PolarHBondContact O-N 3Å; V272-L276 HydrophobicContact CG2-CD1 4.48Å; L276-T278 VanDerWaalsContact C-N 3.27Å; L276-T278 PolarHBondContact O-N 2.99Å; L276-N292 PolarHBondContact O-ND2 2.91Å; L276-N292 PolarHBondContact O-OD1 3.35Å |
| 277 | S | 94.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 62 Ų | 62 | 20% | 0.203 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.4 | -21.4 | 179.1 | 83.9 | 0 | 0 | 0 | 0 | 115.1 | G273 F274 G275 Q282 | G273-S277 WeakPolarHBondContact O-CB 3.41Å; G273-S277 PolarHBondContact O-OG 3.4Å; F274-S277 WeakPolarHBondContact CA-OG 3.49Å; F274-S277 PolarHBondContact O-N 3.32Å; F274-S277 PolarHBondContact O-OG 2.69Å; G275-S277 PolarHBondContact O-N 2.75Å; S277-Q282 PolarHBondContact O-NE2 3.49Å |
| 278 | T | 93.1 | Very high | 94.1 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 68% | 0.681 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -110.6 | -6.3 | -178.3 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | F274 G275 L276 | F274-T278 PolarHBondContact O-N 3.46Å; F274-T278 VanDerWaalsContact O-N 3.12Å; F274-T278 PolarHBondContact O-OG1 2.65Å; F274-T278 VanDerWaalsContact O-OG1 3.09Å; G275-T278 PolarHBondContact O-N 3.21Å; L276-T278 VanDerWaalsContact C-N 3.27Å; L276-T278 PolarHBondContact O-N 2.99Å |
| 279 | A | 91.9 | Very high | 94 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | trans | -63.3 | 145.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G275 N281 Q282 | G275-A279 PolarHBondContact O-N 2.84Å; G275-A279 VanDerWaalsContact O-N 3.15Å; A279-N281 VanDerWaalsContact C-N 3.27Å; A279-N281 VanDerWaalsContact CB-OD1 3.27Å; A279-N281 WeakPolarHBondContact CB-OD1 3.16Å; A279-N281 PolarHBondContact O-N 3.44Å; A279-Q282 VanDerWaalsContact O-CG 3.23Å; A279-Q282 WeakPolarHBondContact O-CG 3.2Å; A279-Q282 PolarHBondContact O-NE2 3.03Å | ||
| 280 | E | 88.4 | Confident | 94 | Very high | 203 Ų | 203 | 60.9 Ų | 60.9 | 95% | 0.949 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -68.4 | -28.6 | -177.1 | -63.1 | -176.2 | 167.6 | 0 | 0 | 112.5 | Q282 | E280-Q282 PolarHBondContact O-N 3.44Š|
| 281 | N | 87.9 | Confident | 94 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | trans | -84.8 | 43.1 | -175 | 69.4 | -31.8 | 0 | 0 | 0 | 113.7 | Y156 A279 G283 N290 | Y156-N281 PolarHBondContact O-ND2 3.25Å; A279-N281 VanDerWaalsContact C-N 3.27Å; A279-N281 VanDerWaalsContact CB-OD1 3.27Å; A279-N281 WeakPolarHBondContact CB-OD1 3.16Å; A279-N281 PolarHBondContact O-N 3.44Å; N281-G283 PolarHBondContact O-N 3.49Å; N281-N290 PolarHBondContact O-ND2 3.48Å | ||
| 282 | Q | 92.8 | Very high | 94 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | trans | -69.3 | 129.7 | 173.5 | -56 | -166.9 | 33.1 | 0 | 0 | 110.2 | S277 A279 E280 | S277-Q282 PolarHBondContact O-NE2 3.49Å; A279-Q282 VanDerWaalsContact O-CG 3.23Å; A279-Q282 WeakPolarHBondContact O-CG 3.2Å; A279-Q282 PolarHBondContact O-NE2 3.03Å; E280-Q282 PolarHBondContact O-N 3.44Å | ||
| 283 | G | 93.4 | Very high | 94 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 157.2 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N281 N292 I293 | N281-G283 PolarHBondContact O-N 3.49Å; G283-N292 PolarHBondContact N-O 3.3Å; G283-N292 CarbonylContact O-C 3.15Å; G283-N292 VanDerWaalsContact O-C 3.32Å; G283-N292 PolarHBondContact O-N 2.85Å; G283-I293 WeakPolarHBondContact O-CG2 3.39Å |
| 284 | F | 96.2 | Very high | 94 | Very high | 122 Ų | 122 | 66.9 Ų | 66.9 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | trans | -120.2 | 118.4 | 173.4 | 176 | -95.5 | 0 | 0 | 0 | 108.4 | L286 N290 F291 I293 | F284-L286 HydrophobicContact CZ-CB 4.39Å; F284-N290 WeakPolarHBondContact CA-O 3.42Å; F284-F291 HydrophobicContact CD2-CD1 4.05Å; F284-F291 AromaticContact CE2-CD1 3.68Å; F284-F291 HydrophobicContact CE2-CD1 3.68Å; F284-F291 AromaticContact CE2-CE1 3.89Å; F284-F291 HydrophobicContact CE2-CE1 3.89Å; F284-I293 HydrophobicContact CB-CG2 3.7Å | ||
| 285 | D | 95.8 | Very high | 94.1 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -142.7 | 108.1 | 173.8 | -176.9 | -17.2 | 0 | 0 | 0 | 108.8 | A287 A288 G289 N290 | D285-A287 VanDerWaalsContact C-N 3.33Å; D285-A287 WeakPolarHBondContact OD1-CA 3.43Å; D285-A287 WeakPolarHBondContact OD1-CB 3.45Å; D285-A287 PolarHBondContact OD1-N 3.34Å; D285-A288 HydrophobicContact CB-CB 3.98Å; D285-A288 PolarHBondContact OD1-N 3.35Å; D285-A288 WeakPolarHBondContact OD2-CB 3.48Å; D285-G289 CarbonylContact O-C 3.49Å; D285-G289 PolarHBondContact O-N 2.84Å; D285-N290 HydrophobicContact CB-CB 4.29Å; D285-N290 PolarHBondContact N-O 2.97Å; D285-N290 PolarHBondContact O-N 3.02Å |
| 286 | L | 93.6 | Very high | 94.3 | Very high | 125 Ų | 125 | 68.6 Ų | 68.6 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -33.7 | -179.3 | -173.7 | 65.6 | 0 | 0 | 0 | 112.3 | F284 G289 F291 | F284-L286 HydrophobicContact CZ-CB 4.39Å; L286-G289 PolarHBondContact O-N 3.5Å; L286-F291 HydrophobicContact CD1-CE1 3.97Å; L286-F291 HydrophobicContact CD1-CZ 3.94Å |
| 287 | A | 92.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 85% | 0.851 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -39.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | D285 G289 | D285-A287 VanDerWaalsContact C-N 3.33Å; D285-A287 WeakPolarHBondContact OD1-CA 3.43Å; D285-A287 WeakPolarHBondContact OD1-CB 3.45Å; D285-A287 PolarHBondContact OD1-N 3.34Å; A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 3.39Å |
| 288 | A | 92.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 71.2 Ų | 71.2 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P157 T159 D285 N290 | P157-A288 WeakPolarHBondContact CG-O 3.35Å; T159-A288 WeakPolarHBondContact CG2-O 3.33Å; D285-A288 HydrophobicContact CB-CB 3.98Å; D285-A288 PolarHBondContact OD1-N 3.35Å; D285-A288 WeakPolarHBondContact OD2-CB 3.48Å; A288-N290 PolarHBondContact O-N 3.19Å |
| 289 | G | 94.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 7% | 0.072 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 21.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P157 N214 D285 L286 A287 F291 | P157-G289 WeakPolarHBondContact CB-O 3.33Å; N214-G289 PolarHBondContact ND2-O 3.11Å; D285-G289 CarbonylContact O-C 3.49Å; D285-G289 PolarHBondContact O-N 2.84Å; L286-G289 PolarHBondContact O-N 3.5Å; A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 3.39Å; G289-F291 VanDerWaalsContact O-CD2 3.26Å; G289-F291 WeakPolarHBondContact O-CD2 3.37Å; G289-F291 WeakPolarHBondContact O-CE2 3.15Å |
| 290 | N | 96.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 10% | 0.096 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 115.7 | 179.6 | -173.9 | 8.3 | 0 | 0 | 0 | 110.7 | Y156 P157 N281 F284 D285 A288 N292 | Y156-N290 WeakPolarHBondContact CE1-OD1 3.21Å; P157-N290 HydrophobicContact CG-CB 4.08Å; N281-N290 PolarHBondContact O-ND2 3.48Å; F284-N290 WeakPolarHBondContact CA-O 3.42Å; D285-N290 HydrophobicContact CB-CB 4.29Å; D285-N290 PolarHBondContact N-O 2.97Å; D285-N290 PolarHBondContact O-N 3.02Å; A288-N290 PolarHBondContact O-N 3.19Å; N290-N292 VanDerWaalsContact OD1-CB 3.26Å; N290-N292 WeakPolarHBondContact OD1-CB 3.37Å; N290-N292 PolarHBondContact OD1-N 3.15Å |
| 291 | F | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | trans | -114.5 | 20.4 | 177.6 | -56.3 | -83.5 | 0 | 0 | 0 | 112.4 | Y156 I212 L213 F284 L286 G289 I293 V296 | Y156-F291 PolarHBondContact OH-N 3.06Å; I212-F291 WeakPolarHBondContact O-CE2 3.47Å; L213-F291 HydrophobicContact CD2-CB 4.06Å; L213-F291 HydrophobicContact CD2-CD1 4.21Å; L213-F291 HydrophobicContact CD2-CD2 4.16Å; L213-F291 HydrophobicContact CD2-CG 3.89Å; F284-F291 HydrophobicContact CD2-CD1 4.05Å; F284-F291 AromaticContact CE2-CD1 3.68Å; F284-F291 HydrophobicContact CE2-CD1 3.68Å; F284-F291 AromaticContact CE2-CE1 3.89Å; F284-F291 HydrophobicContact CE2-CE1 3.89Å; L286-F291 HydrophobicContact CD1-CE1 3.97Å; L286-F291 HydrophobicContact CD1-CZ 3.94Å; G289-F291 VanDerWaalsContact O-CD2 3.26Å; G289-F291 WeakPolarHBondContact O-CD2 3.37Å; G289-F291 WeakPolarHBondContact O-CE2 3.15Å; F291-I293 PolarHBondContact O-N 2.91Å; F291-V296 HydrophobicContact CB-CG1 4.17Å; F291-V296 VanDerWaalsContact O-CB 3.31Å; F291-V296 WeakPolarHBondContact O-CB 3.3Å; F291-V296 WeakPolarHBondContact O-CG1 3.44Å | ||
| 292 | N | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | trans | -77.6 | 60 | -175.3 | -170.1 | 16.5 | 0 | 0 | 0 | 113.6 | Y156 L276 G283 N290 R297 | Y156-N292 HydrophobicContact CD1-CB 4.22Å; Y156-N292 HydrophobicContact CE1-CB 3.83Å; L276-N292 PolarHBondContact O-ND2 2.91Å; L276-N292 PolarHBondContact O-OD1 3.35Å; G283-N292 PolarHBondContact N-O 3.3Å; G283-N292 CarbonylContact O-C 3.15Å; G283-N292 VanDerWaalsContact O-C 3.32Å; G283-N292 PolarHBondContact O-N 2.85Å; N290-N292 VanDerWaalsContact OD1-CB 3.26Å; N290-N292 WeakPolarHBondContact OD1-CB 3.37Å; N290-N292 PolarHBondContact OD1-N 3.15Å; N292-R297 VanDerWaalsContact OD1-CD 3.24Å; N292-R297 WeakPolarHBondContact OD1-CD 3.33Å; N292-R297 PolarHBondContact OD1-NE 2.72Å | ||
| 293 | I | 96.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 58 Ų | 58 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -106.2 | 154 | 168.7 | 60.2 | 172.6 | 0 | 0 | 0 | 110.9 | G283 F284 F291 F295 V296 R297 | G283-I293 WeakPolarHBondContact O-CG2 3.39Å; F284-I293 HydrophobicContact CB-CG2 3.7Å; F291-I293 PolarHBondContact O-N 2.91Å; I293-F295 VanDerWaalsContact C-N 3.25Å; I293-F295 HydrophobicContact CD1-CB 4.29Å; I293-F295 PolarHBondContact O-N 3.49Å; I293-V296 HydrophobicContact CD1-CG2 3.96Å; I293-V296 HydrophobicContact CG1-CB 3.97Å; I293-V296 HydrophobicContact CG1-CG2 3.59Å; I293-V296 PolarHBondContact O-N 3.25Å; I293-V296 VanDerWaalsContact O-N 3.16Å; I293-R297 PolarHBondContact O-N 2.88Å |
| 294 | F | 96.4 | Very high | 96.5 | Very high | 139 Ų | 139 | 57.2 Ų | 57.2 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51 | -44.3 | 180 | 177.4 | -101.2 | 0 | 0 | 0 | 112.7 | V296 R297 M298 | F294-V296 PolarHBondContact O-N 3.09Å; F294-R297 PolarHBondContact O-N 2.89Å; F294-M298 HydrophobicContact CD1-CG 4.15Å; F294-M298 HydrophobicContact CD2-CE 4.41Å; F294-M298 HydrophobicContact CD2-CG 4.11Å; F294-M298 HydrophobicContact CE1-CG 3.71Å; F294-M298 HydrophobicContact CE2-CE 4.04Å; F294-M298 HydrophobicContact CE2-CG 3.66Å; F294-M298 HydrophobicContact CE2-SD 3.94Å; F294-M298 HydrophobicContact CG-CG 4.34Å; F294-M298 HydrophobicContact CZ-CG 3.45Å; F294-M298 VanDerWaalsContact CZ-CG 3.45Å; F294-M298 HydrophobicContact CZ-SD 3.99Å; F294-M298 WeakPolarHBondContact O-CG 3.06Å; F294-M298 PolarHBondContact O-N 3.01Å |
| 295 | F | 97.3 | Very high | 96.6 | Very high | 150 Ų | 150 | 54 Ų | 54 | 66% | 0.658 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | -179.3 | -178.5 | -99 | 0 | 0 | 0 | 113.1 | I293 M298 T299 | I293-F295 VanDerWaalsContact C-N 3.25Å; I293-F295 HydrophobicContact CD1-CB 4.29Å; I293-F295 PolarHBondContact O-N 3.49Å; F295-M298 PolarHBondContact O-N 2.86Å; F295-T299 WeakPolarHBondContact O-CB 3.26Å; F295-T299 PolarHBondContact O-N 3.44Å; F295-T299 PolarHBondContact O-OG1 3.02Å |
| 296 | V | 97.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 178.1 | 172 | 0 | 0 | 0 | 0 | 110 | L213 F291 I293 F294 M298 T299 V300 | L213-V296 HydrophobicContact CD1-CG1 4.15Å; L213-V296 HydrophobicContact CD2-CG1 4.17Å; F291-V296 HydrophobicContact CB-CG1 4.17Å; F291-V296 VanDerWaalsContact O-CB 3.31Å; F291-V296 WeakPolarHBondContact O-CB 3.3Å; F291-V296 WeakPolarHBondContact O-CG1 3.44Å; I293-V296 HydrophobicContact CD1-CG2 3.96Å; I293-V296 HydrophobicContact CG1-CB 3.97Å; I293-V296 HydrophobicContact CG1-CG2 3.59Å; I293-V296 PolarHBondContact O-N 3.25Å; I293-V296 VanDerWaalsContact O-N 3.16Å; F294-V296 PolarHBondContact O-N 3.09Å; V296-M298 PolarHBondContact O-N 2.69Å; V296-T299 PolarHBondContact O-N 3Å; V296-V300 HydrophobicContact CG1-CG2 4.31Å; V296-V300 WeakPolarHBondContact O-CG2 3.45Å; V296-V300 PolarHBondContact O-N 2.98Å |
| 297 | R | 97.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 177 | -72.6 | -170.9 | -89.7 | 142 | -11.7 | 112 | V272 N292 I293 F294 T299 V300 L301 | V272-R297 HydrophobicContact CG1-CB 3.8Å; V272-R297 HydrophobicContact CG1-CG 3.86Å; V272-R297 WeakPolarHBondContact O-CD 3.26Å; N292-R297 VanDerWaalsContact OD1-CD 3.24Å; N292-R297 WeakPolarHBondContact OD1-CD 3.33Å; N292-R297 PolarHBondContact OD1-NE 2.72Å; I293-R297 PolarHBondContact O-N 2.88Å; F294-R297 PolarHBondContact O-N 2.89Å; R297-T299 VanDerWaalsContact C-N 3.33Å; R297-T299 PolarHBondContact O-N 3.43Å; R297-V300 PolarHBondContact O-N 3.28Å; R297-L301 WeakPolarHBondContact O-CB 3.32Å; R297-L301 WeakPolarHBondContact O-CG 3.39Å; R297-L301 PolarHBondContact O-N 2.88Å |
| 298 | M | 97.7 | Very high | 97.1 | Very high | 66 Ų | 66 | 47 Ų | 47 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.4 | -69.3 | -54.4 | 102.2 | 0 | 0 | 112.3 | F294 F295 V296 L301 S302 | F294-M298 HydrophobicContact CD1-CG 4.15Å; F294-M298 HydrophobicContact CD2-CE 4.41Å; F294-M298 HydrophobicContact CD2-CG 4.11Å; F294-M298 HydrophobicContact CE1-CG 3.71Å; F294-M298 HydrophobicContact CE2-CE 4.04Å; F294-M298 HydrophobicContact CE2-CG 3.66Å; F294-M298 HydrophobicContact CE2-SD 3.94Å; F294-M298 HydrophobicContact CG-CG 4.34Å; F294-M298 HydrophobicContact CZ-CG 3.45Å; F294-M298 VanDerWaalsContact CZ-CG 3.45Å; F294-M298 HydrophobicContact CZ-SD 3.99Å; F294-M298 WeakPolarHBondContact O-CG 3.06Å; F294-M298 PolarHBondContact O-N 3.01Å; F295-M298 PolarHBondContact O-N 2.86Å; V296-M298 PolarHBondContact O-N 2.69Å; M298-L301 HydrophobicContact CE-CD1 3.82Å; M298-S302 WeakPolarHBondContact O-CB 3.42Å; M298-S302 PolarHBondContact O-N 3.48Å; M298-S302 PolarHBondContact O-OG 2.99Å |
| 299 | T | 98.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 176.4 | -60 | 0 | 0 | 0 | 0 | 111.2 | F295 V296 R297 S302 A303 | F295-T299 WeakPolarHBondContact O-CB 3.26Å; F295-T299 PolarHBondContact O-N 3.44Å; F295-T299 PolarHBondContact O-OG1 3.02Å; V296-T299 PolarHBondContact O-N 3Å; R297-T299 VanDerWaalsContact C-N 3.33Å; R297-T299 PolarHBondContact O-N 3.43Å; T299-S302 PolarHBondContact O-N 3.2Å; T299-A303 WeakPolarHBondContact O-CB 3.37Å; T299-A303 PolarHBondContact O-N 3.36Å |
| 300 | V | 98.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L213 L215 V272 V296 R297 S302 A303 I304 | L213-V300 HydrophobicContact CD1-CG2 3.63Å; L215-V300 HydrophobicContact CD1-CG1 4.12Å; L215-V300 HydrophobicContact CD1-CG2 4.14Å; V272-V300 HydrophobicContact CG1-CB 4.46Å; V272-V300 HydrophobicContact CG1-CG1 4.42Å; V272-V300 HydrophobicContact CG2-CG1 4.15Å; V296-V300 HydrophobicContact CG1-CG2 4.31Å; V296-V300 WeakPolarHBondContact O-CG2 3.45Å; V296-V300 PolarHBondContact O-N 2.98Å; R297-V300 PolarHBondContact O-N 3.28Å; V300-S302 PolarHBondContact O-N 3.27Å; V300-A303 PolarHBondContact O-N 2.95Å; V300-I304 HydrophobicContact CG1-CD1 3.91Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.26Å |
| 301 | L | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.8 | -73.8 | 172.9 | 0 | 0 | 0 | 111.9 | S268 V269 V272 R297 M298 I304 C305 | S268-L301 WeakPolarHBondContact O-CD2 3.47Å; V269-L301 HydrophobicContact CG2-CD2 4.27Å; V272-L301 HydrophobicContact CB-CD1 4.46Å; V272-L301 HydrophobicContact CB-CD2 3.98Å; V272-L301 HydrophobicContact CB-CG 4.06Å; V272-L301 HydrophobicContact CG1-CD1 4.2Å; V272-L301 HydrophobicContact CG1-CD2 4.35Å; V272-L301 HydrophobicContact CG1-CG 3.87Å; R297-L301 WeakPolarHBondContact O-CB 3.32Å; R297-L301 WeakPolarHBondContact O-CG 3.39Å; R297-L301 PolarHBondContact O-N 2.88Å; M298-L301 HydrophobicContact CE-CD1 3.82Å; L301-I304 PolarHBondContact O-N 2.83Å; L301-C305 VanDerWaalsContact O-CB 3.26Å; L301-C305 WeakPolarHBondContact O-CB 3.33Å; L301-C305 PolarHBondContact O-N 3.25Å; L301-C305 PolarHBondContact O-SG 2.99Å |
| 302 | S | 98.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | M298 T299 V300 I304 C305 L306 | M298-S302 WeakPolarHBondContact O-CB 3.42Å; M298-S302 PolarHBondContact O-N 3.48Å; M298-S302 PolarHBondContact O-OG 2.99Å; T299-S302 PolarHBondContact O-N 3.2Å; V300-S302 PolarHBondContact O-N 3.27Å; S302-I304 VanDerWaalsContact C-N 3.35Å; S302-I304 PolarHBondContact O-N 3.25Å; S302-C305 PolarHBondContact O-N 3.38Å; S302-L306 VanDerWaalsContact O-CB 3.26Å; S302-L306 WeakPolarHBondContact O-CB 3.36Å; S302-L306 WeakPolarHBondContact O-CG 3.35Å; S302-L306 PolarHBondContact O-N 3.21Å |
| 303 | A | 98.2 | Very high | 97.4 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T299 V300 T307 | T299-A303 WeakPolarHBondContact O-CB 3.37Å; T299-A303 PolarHBondContact O-N 3.36Å; V300-A303 PolarHBondContact O-N 2.95Å; A303-T307 VanDerWaalsContact O-CB 3.29Å; A303-T307 WeakPolarHBondContact O-CB 3.23Å; A303-T307 PolarHBondContact O-N 3.43Å; A303-T307 PolarHBondContact O-OG1 2.72Å |
| 304 | I | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -52.6 | 177 | -66 | 169.6 | 0 | 0 | 0 | 110 | L222 T264 L265 S268 V300 L301 S302 L306 T307 Q308 | L222-I304 HydrophobicContact CD1-CD1 4.2Å; T264-I304 HydrophobicContact CG2-CG2 4.2Å; L265-I304 HydrophobicContact CD2-CG2 4.49Å; S268-I304 WeakPolarHBondContact OG-CD1 3.24Å; V300-I304 HydrophobicContact CG1-CD1 3.91Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.26Å; L301-I304 PolarHBondContact O-N 2.83Å; S302-I304 VanDerWaalsContact C-N 3.35Å; S302-I304 PolarHBondContact O-N 3.25Å; I304-L306 PolarHBondContact O-N 3.41Å; I304-T307 PolarHBondContact O-N 2.75Å; I304-Q308 HydrophobicContact CG2-CG 4.16Å; I304-Q308 VanDerWaalsContact O-CG 3.28Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.12Å |
| 305 | C | 97.8 | Very high | 97.1 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | -178.4 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | L301 S302 T307 Q308 A309 | L301-C305 VanDerWaalsContact O-CB 3.26Å; L301-C305 WeakPolarHBondContact O-CB 3.33Å; L301-C305 PolarHBondContact O-N 3.25Å; L301-C305 PolarHBondContact O-SG 2.99Å; S302-C305 PolarHBondContact O-N 3.38Å; C305-T307 VanDerWaalsContact C-N 3.31Å; C305-T307 PolarHBondContact O-N 2.9Å; C305-Q308 PolarHBondContact O-N 2.71Å; C305-A309 VanDerWaalsContact O-CB 3.3Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.8Å |
| 306 | L | 98.1 | Very high | 96.9 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 177.1 | -71.5 | 171.6 | 0 | 0 | 0 | 111.2 | S302 I304 A309 F310 | S302-L306 VanDerWaalsContact O-CB 3.26Å; S302-L306 WeakPolarHBondContact O-CB 3.36Å; S302-L306 WeakPolarHBondContact O-CG 3.35Å; S302-L306 PolarHBondContact O-N 3.21Å; I304-L306 PolarHBondContact O-N 3.41Å; L306-A309 PolarHBondContact O-N 2.85Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.34Å; L306-F310 PolarHBondContact O-N 3.39Å |
| 307 | T | 97.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | L202 H206 A303 I304 C305 F310 M311 | L202-T307 HydrophobicContact CD1-CG2 4.3Å; L202-T307 HydrophobicContact CD2-CG2 4.07Å; H206-T307 PolarHBondContact CE1-OG1 3.25Å; H206-T307 PolarHBondContact NE2-OG1 3.41Å; A303-T307 VanDerWaalsContact O-CB 3.29Å; A303-T307 WeakPolarHBondContact O-CB 3.23Å; A303-T307 PolarHBondContact O-N 3.43Å; A303-T307 PolarHBondContact O-OG1 2.72Å; I304-T307 PolarHBondContact O-N 2.75Å; C305-T307 VanDerWaalsContact C-N 3.31Å; C305-T307 PolarHBondContact O-N 2.9Å; T307-F310 PolarHBondContact O-N 3.09Å; T307-M311 HydrophobicContact CG2-CE 4.12Å; T307-M311 WeakPolarHBondContact O-CG 3.49Å; T307-M311 PolarHBondContact O-N 3.49Å |
| 308 | Q | 97.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.9 | -62.1 | -44.3 | -65.9 | 0 | 0 | 111.4 | T264 L265 I304 C305 M311 M312 | T264-Q308 HydrophobicContact CG2-CG 4.2Å; L265-Q308 HydrophobicContact CD1-CB 4.39Å; L265-Q308 HydrophobicContact CD2-CB 3.99Å; L265-Q308 HydrophobicContact CD2-CG 3.67Å; L265-Q308 HydrophobicContact CG-CB 4.24Å; L265-Q308 HydrophobicContact CG-CG 3.92Å; I304-Q308 HydrophobicContact CG2-CG 4.16Å; I304-Q308 VanDerWaalsContact O-CG 3.28Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.12Å; C305-Q308 PolarHBondContact O-N 2.71Å; Q308-M311 PolarHBondContact O-N 2.86Å; Q308-M312 WeakPolarHBondContact O-CB 3.31Å; Q308-M312 PolarHBondContact O-N 2.81Å |
| 309 | A | 97.3 | Very high | 95.9 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C305 L306 M311 M312 W313 | C305-A309 VanDerWaalsContact O-CB 3.3Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.8Å; L306-A309 PolarHBondContact O-N 2.85Å; A309-M311 PolarHBondContact O-N 3.21Å; A309-M312 PolarHBondContact O-N 3.47Å; A309-W313 WeakPolarHBondContact O-CB 3.34Å; A309-W313 PolarHBondContact O-N 2.89Å |
| 310 | F | 96.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.2 | 170.1 | -104.5 | 0 | 0 | 0 | 111.7 | V198 L202 L306 T307 W313 K314 | V198-F310 HydrophobicContact CG1-CE1 4.45Å; V198-F310 HydrophobicContact CG1-CZ 4.29Å; L202-F310 HydrophobicContact CD1-CD1 4.15Å; L202-F310 HydrophobicContact CD1-CE1 4.1Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.34Å; L306-F310 PolarHBondContact O-N 3.39Å; T307-F310 PolarHBondContact O-N 3.09Å; F310-W313 PolarHBondContact O-N 3.35Å; F310-K314 HydrophobicContact CE1-CG 4.47Å; F310-K314 HydrophobicContact CE2-CD 4.37Å; F310-K314 HydrophobicContact CE2-CG 4.21Å; F310-K314 HydrophobicContact CZ-CD 4.4Å; F310-K314 HydrophobicContact CZ-CG 4.17Å; F310-K314 VanDerWaalsContact O-CG 3.29Å; F310-K314 WeakPolarHBondContact O-CG 3.39Å; F310-K314 PolarHBondContact O-N 3.03Å |
| 311 | M | 95.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.1 | -71.9 | -170.4 | -65.8 | 0 | 0 | 112.3 | F257 R261 T307 Q308 A309 K314 F315 | F257-M311 HydrophobicContact CZ-CB 4.25Å; R261-M311 PolarHBondContact NH1-SD 2.9Å; R261-M311 VanDerWaalsContact NH1-SD 3.4Å; T307-M311 HydrophobicContact CG2-CE 4.12Å; T307-M311 WeakPolarHBondContact O-CG 3.49Å; T307-M311 PolarHBondContact O-N 3.49Å; Q308-M311 PolarHBondContact O-N 2.86Å; A309-M311 PolarHBondContact O-N 3.21Å; M311-K314 PolarHBondContact O-N 3.38Å; M311-F315 WeakPolarHBondContact O-CB 3.48Å; M311-F315 PolarHBondContact O-N 3.38Å |
| 312 | M | 95.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 63 Ų | 63 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 178 | -169.9 | 58.8 | 71.3 | 0 | 0 | 111.4 | F257 R261 Q308 A309 K314 F315 I316 | F257-M312 HydrophobicContact CE1-CE 4.28Å; F257-M312 HydrophobicContact CE1-SD 4.25Å; R261-M312 HydrophobicContact CB-CE 3.89Å; R261-M312 HydrophobicContact CG-CE 3.84Å; Q308-M312 WeakPolarHBondContact O-CB 3.31Å; Q308-M312 PolarHBondContact O-N 2.81Å; A309-M312 PolarHBondContact O-N 3.47Å; M312-K314 VanDerWaalsContact C-N 3.32Å; M312-K314 PolarHBondContact O-N 2.98Å; M312-F315 WeakPolarHBondContact O-CB 3.34Å; M312-F315 PolarHBondContact O-N 2.94Å; M312-F315 HydrophobicContact SD-CD1 3.95Å; M312-I316 HydrophobicContact CG-CD1 3.88Å; M312-I316 HydrophobicContact CG-CG1 4.38Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.44Å; M312-I316 PolarHBondContact O-N 3.39Å; M312-I316 HydrophobicContact SD-CD1 4.49Å; M312-I316 HydrophobicContact SD-CG1 4.46Å |
| 313 | W | 96.3 | Very high | 93.9 | Very high | 154 Ų | 154 | 67.4 Ų | 67.4 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 174.5 | 176.8 | 74.5 | 0 | 0 | 0 | 111.7 | A309 F310 N317 | A309-W313 WeakPolarHBondContact O-CB 3.34Å; A309-W313 PolarHBondContact O-N 2.89Å; F310-W313 PolarHBondContact O-N 3.35Å; W313-N317 PolarHBondContact NE1-ND2 3.2Å; W313-N317 VanDerWaalsContact NE1-ND2 3.14Å; W313-N317 WeakPolarHBondContact O-CB 3.27Å; W313-N317 PolarHBondContact O-N 3.33Å; W313-N317 PolarHBondContact O-ND2 3.46Å |
| 314 | K | 93.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 73.3 Ų | 73.3 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.2 | -66.4 | -76 | -81.9 | -171.5 | 0 | 111.7 | F310 M311 M312 F318 | F310-K314 HydrophobicContact CE1-CG 4.47Å; F310-K314 HydrophobicContact CE2-CD 4.37Å; F310-K314 HydrophobicContact CE2-CG 4.21Å; F310-K314 HydrophobicContact CZ-CD 4.4Å; F310-K314 HydrophobicContact CZ-CG 4.17Å; F310-K314 VanDerWaalsContact O-CG 3.29Å; F310-K314 WeakPolarHBondContact O-CG 3.39Å; F310-K314 PolarHBondContact O-N 3.03Å; M311-K314 PolarHBondContact O-N 3.38Å; M312-K314 VanDerWaalsContact C-N 3.32Å; M312-K314 PolarHBondContact O-N 2.98Å; K314-F318 WeakPolarHBondContact O-CB 3.38Å; K314-F318 PolarHBondContact O-N 3.1Å |
| 315 | F | 93.8 | Very high | 93 | Very high | 26 Ų | 26 | 76.9 Ų | 76.9 | 11% | 0.114 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 177.5 | 172.9 | -98 | 0 | 0 | 0 | 112.3 | W253 A254 F257 V258 M311 M312 N317 F318 Q319 | W253-F315 AromaticContact CH2-CD2 3.69Å; W253-F315 HydrophobicContact CH2-CD2 3.69Å; W253-F315 AromaticContact CH2-CE2 3.8Å; W253-F315 HydrophobicContact CH2-CE2 3.8Å; W253-F315 HydrophobicContact CZ2-CD2 4.23Å; W253-F315 HydrophobicContact CZ2-CE2 4.44Å; W253-F315 HydrophobicContact CZ3-CD2 4.23Å; W253-F315 AromaticContact CZ3-CE2 3.88Å; W253-F315 HydrophobicContact CZ3-CE2 3.88Å; A254-F315 HydrophobicContact CB-CE2 4.05Å; A254-F315 HydrophobicContact CB-CZ 3.99Å; F257-F315 HydrophobicContact CB-CE2 4.43Å; F257-F315 HydrophobicContact CD1-CB 4.15Å; F257-F315 HydrophobicContact CD1-CD1 4.06Å; F257-F315 AromaticContact CD1-CD2 3.57Å; F257-F315 HydrophobicContact CD1-CD2 3.57Å; F257-F315 HydrophobicContact CD1-CE1 4.36Å; F257-F315 AromaticContact CD1-CE2 3.91Å; F257-F315 HydrophobicContact CD1-CE2 3.91Å; F257-F315 AromaticContact CD1-CG 3.66Å; F257-F315 HydrophobicContact CD1-CG 3.66Å; F257-F315 HydrophobicContact CD1-CZ 4.29Å; F257-F315 HydrophobicContact CE1-CB 3.41Å; F257-F315 VanDerWaalsContact CE1-CB 3.41Å; F257-F315 AromaticContact CE1-CD1 4Å; F257-F315 HydrophobicContact CE1-CD1 4Å; F257-F315 AromaticContact CE1-CD2 3.74Å; F257-F315 HydrophobicContact CE1-CD2 3.74Å; F257-F315 AromaticContact CE1-CG 3.44Å; F257-F315 HydrophobicContact CE1-CG 3.44Å; F257-F315 VanDerWaalsContact CE1-CG 3.44Å; F257-F315 HydrophobicContact CG-CD2 4.07Å; F257-F315 HydrophobicContact CG-CE2 4.27Å; F257-F315 HydrophobicContact CZ-CB 3.78Å; F257-F315 HydrophobicContact CZ-CD2 4.34Å; F257-F315 HydrophobicContact CZ-CG 4.19Å; V258-F315 HydrophobicContact CG2-CE1 3.95Å; V258-F315 HydrophobicContact CG2-CZ 4.27Å; M311-F315 WeakPolarHBondContact O-CB 3.48Å; M311-F315 PolarHBondContact O-N 3.38Å; M312-F315 WeakPolarHBondContact O-CB 3.34Å; M312-F315 PolarHBondContact O-N 2.94Å; M312-F315 HydrophobicContact SD-CD1 3.95Å; F315-N317 PolarHBondContact O-N 3.19Å; F315-F318 WeakPolarHBondContact O-CB 3.49Å; F315-F318 PolarHBondContact O-N 3.15Å; F315-Q319 PolarHBondContact O-N 3.18Å |
| 316 | I | 93.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 78.9 Ų | 78.9 | 43% | 0.431 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 177.6 | -68.9 | 166.2 | 0 | 0 | 0 | 110.1 | M312 F318 Q319 L320 | M312-I316 HydrophobicContact CG-CD1 3.88Å; M312-I316 HydrophobicContact CG-CG1 4.38Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.44Å; M312-I316 PolarHBondContact O-N 3.39Å; M312-I316 HydrophobicContact SD-CD1 4.49Å; M312-I316 HydrophobicContact SD-CG1 4.46Å; I316-F318 VanDerWaalsContact C-N 3.29Å; I316-F318 PolarHBondContact O-N 2.98Å; I316-Q319 PolarHBondContact O-N 3.46Å; I316-Q319 VanDerWaalsContact O-N 3.16Å; I316-L320 HydrophobicContact CG2-CD1 3.73Å; I316-L320 HydrophobicContact CG2-CG 4.09Å; I316-L320 WeakPolarHBondContact O-CB 3.48Å; I316-L320 VanDerWaalsContact O-CG 3.28Å; I316-L320 WeakPolarHBondContact O-CG 3.33Å; I316-L320 PolarHBondContact O-N 3.39Å |
| 317 | N | 92.8 | Very high | 91.8 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 177.3 | -78.4 | -51.6 | 0 | 0 | 0 | 112.6 | W313 F315 R321 | W313-N317 PolarHBondContact NE1-ND2 3.2Å; W313-N317 VanDerWaalsContact NE1-ND2 3.14Å; W313-N317 WeakPolarHBondContact O-CB 3.27Å; W313-N317 PolarHBondContact O-N 3.33Å; W313-N317 PolarHBondContact O-ND2 3.46Å; F315-N317 PolarHBondContact O-N 3.19Å; N317-R321 VanDerWaalsContact O-CB 3.3Å; N317-R321 WeakPolarHBondContact O-CB 3.32Å; N317-R321 PolarHBondContact O-N 3.05Å |
| 318 | F | 89.6 | Confident | 91.3 | Very high | 89 Ų | 89 | 80.2 Ų | 80.2 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 174.5 | 173.7 | -99.4 | 0 | 0 | 0 | 111.5 | W253 K314 F315 I316 R321 R322 | W253-F318 HydrophobicContact CH2-CD1 4.5Å; W253-F318 HydrophobicContact CH2-CE1 4.47Å; W253-F318 HydrophobicContact CZ3-CD1 4.49Å; W253-F318 HydrophobicContact CZ3-CE1 4.15Å; K314-F318 WeakPolarHBondContact O-CB 3.38Å; K314-F318 PolarHBondContact O-N 3.1Å; F315-F318 WeakPolarHBondContact O-CB 3.49Å; F315-F318 PolarHBondContact O-N 3.15Å; I316-F318 VanDerWaalsContact C-N 3.29Å; I316-F318 PolarHBondContact O-N 2.98Å; F318-R321 PolarHBondContact O-N 2.95Å; F318-R322 PolarHBondContact O-N 3.4Å |
| 319 | Q | 89.5 | Confident | 90.6 | Very high | 39 Ų | 39 | 83 Ų | 83 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | -179.4 | -167.3 | 63.2 | 13.8 | 0 | 0 | 112.2 | F315 I316 R321 R322 W323 | F315-Q319 PolarHBondContact O-N 3.18Å; I316-Q319 PolarHBondContact O-N 3.46Å; I316-Q319 VanDerWaalsContact O-N 3.16Å; Q319-R321 VanDerWaalsContact C-N 3.31Å; Q319-R321 PolarHBondContact O-N 3.41Å; Q319-R322 PolarHBondContact O-N 3.4Å; Q319-W323 HydrophobicContact CG-CD2 4.23Å; Q319-W323 HydrophobicContact CG-CH2 4.46Å; Q319-W323 HydrophobicContact CG-CZ2 3.91Å; Q319-W323 WeakPolarHBondContact O-CB 3.21Å; Q319-W323 PolarHBondContact O-N 2.62Å |
| 320 | L | 89.7 | Confident | 89.8 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 40% | 0.398 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.5 | -72.4 | 176 | 0 | 0 | 0 | 111.7 | I316 W323 R324 | I316-L320 HydrophobicContact CG2-CD1 3.73Å; I316-L320 HydrophobicContact CG2-CG 4.09Å; I316-L320 WeakPolarHBondContact O-CB 3.48Å; I316-L320 VanDerWaalsContact O-CG 3.28Å; I316-L320 WeakPolarHBondContact O-CG 3.33Å; I316-L320 PolarHBondContact O-N 3.39Å; L320-W323 HydrophobicContact CD2-CE3 4.14Å; L320-W323 HydrophobicContact CD2-CZ3 4.39Å; L320-W323 PolarHBondContact O-N 2.82Å; L320-R324 WeakPolarHBondContact O-CG 3.22Å; L320-R324 PolarHBondContact O-N 3.31Å |
| 321 | R | 89.8 | Confident | 89.1 | Confident | 148 Ų | 148 | 86.9 Ų | 86.9 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.2 | -48.2 | 174.3 | -178.6 | 179.1 | 167.5 | -149.2 | -9.8 | 111.1 | N317 F318 Q319 W323 R324 E325 | N317-R321 VanDerWaalsContact O-CB 3.3Å; N317-R321 WeakPolarHBondContact O-CB 3.32Å; N317-R321 PolarHBondContact O-N 3.05Å; F318-R321 PolarHBondContact O-N 2.95Å; Q319-R321 VanDerWaalsContact C-N 3.31Å; Q319-R321 PolarHBondContact O-N 3.41Å; R321-W323 VanDerWaalsContact C-N 3.32Å; R321-W323 PolarHBondContact O-N 3.12Å; R321-R324 PolarHBondContact O-N 3.27Å; R321-E325 IonicContact CZ-OE1 2.82Å; R321-E325 IonicContact NE-OE1 3.78Å; R321-E325 PolarHBondContact NE-OE1 3.11Å; R321-E325 IonicContact NH2-OE1 2.86Å; R321-E325 PolarHBondContact NH2-OE1 2.95Å; R321-E325 WeakPolarHBondContact O-CG 3.28Å; R321-E325 PolarHBondContact O-N 3.15Å |
| 322 | R | 85.7 | Confident | 88.4 | Confident | 51 Ų | 51 | 90.8 Ų | 90.8 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 178.4 | -178.8 | 176.9 | 173.8 | 171.7 | 2.6 | 112.1 | F318 Q319 E325 H326 | F318-R322 PolarHBondContact O-N 3.4Å; Q319-R322 PolarHBondContact O-N 3.4Å; R322-E325 PolarHBondContact O-N 3.23Å; R322-H326 PolarHBondContact NE-NE2 2.73Å; R322-H326 PolarHBondContact O-CD2 3.45Å; R322-H326 PolarHBondContact O-N 3.18Å |
| 323 | W | 85.7 | Confident | 87.5 | Confident | 156 Ų | 156 | 95.6 Ų | 95.6 | 59% | 0.591 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.7 | -73.3 | -11.7 | 0 | 0 | 0 | 112.7 | Q319 L320 R321 H326 A327 | Q319-W323 HydrophobicContact CG-CD2 4.23Å; Q319-W323 HydrophobicContact CG-CH2 4.46Å; Q319-W323 HydrophobicContact CG-CZ2 3.91Å; Q319-W323 WeakPolarHBondContact O-CB 3.21Å; Q319-W323 PolarHBondContact O-N 2.62Å; L320-W323 HydrophobicContact CD2-CE3 4.14Å; L320-W323 HydrophobicContact CD2-CZ3 4.39Å; L320-W323 PolarHBondContact O-N 2.82Å; R321-W323 VanDerWaalsContact C-N 3.32Å; R321-W323 PolarHBondContact O-N 3.12Å; W323-H326 PolarHBondContact O-N 3.34Å; W323-A327 WeakPolarHBondContact O-CB 3.05Å; W323-A327 PolarHBondContact O-N 2.83Å |
| 324 | R | 89.4 | Confident | 86.4 | Confident | 159 Ų | 159 | 96.5 Ų | 96.5 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.6 | -47.9 | 174 | -75.2 | -175.5 | -71.2 | 173.3 | -2.6 | 111.8 | L320 R321 H326 A327 E328 | L320-R324 WeakPolarHBondContact O-CG 3.22Å; L320-R324 PolarHBondContact O-N 3.31Å; R321-R324 PolarHBondContact O-N 3.27Å; R324-H326 VanDerWaalsContact C-N 3.34Å; R324-H326 PolarHBondContact O-N 2.8Å; R324-A327 PolarHBondContact O-N 3.23Å; R324-E328 WeakPolarHBondContact O-CG 3.44Å; R324-E328 PolarHBondContact O-N 3.47Å |
| 325 | E | 87 | Confident | 85.3 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.1 | -70.5 | 173.7 | -179.3 | 0 | 0 | 111.8 | R321 R322 V329 | R321-E325 IonicContact CZ-OE1 2.82Å; R321-E325 IonicContact NE-OE1 3.78Å; R321-E325 PolarHBondContact NE-OE1 3.11Å; R321-E325 IonicContact NH2-OE1 2.86Å; R321-E325 PolarHBondContact NH2-OE1 2.95Å; R321-E325 WeakPolarHBondContact O-CG 3.28Å; R321-E325 PolarHBondContact O-N 3.15Å; R322-E325 PolarHBondContact O-N 3.23Å; E325-V329 VanDerWaalsContact O-CG2 3.31Å; E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 2.94Å; E325-V329 VanDerWaalsContact O-N 3.09Å |
| 326 | H | 84.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 107.6 Ų | 107.6 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 175.2 | -77.5 | -60.7 | 0 | 0 | 0 | 113.1 | R322 W323 R324 V329 Q330 | R322-H326 PolarHBondContact NE-NE2 2.73Å; R322-H326 PolarHBondContact O-CD2 3.45Å; R322-H326 PolarHBondContact O-N 3.18Å; W323-H326 PolarHBondContact O-N 3.34Å; R324-H326 VanDerWaalsContact C-N 3.34Å; R324-H326 PolarHBondContact O-N 2.8Å; H326-V329 PolarHBondContact O-N 3.42Å; H326-Q330 WeakPolarHBondContact O-CG 3.36Å; H326-Q330 PolarHBondContact O-N 3.18Å |
| 327 | A | 86.1 | Confident | 81.8 | Confident | 49 Ų | 49 | 106.7 Ų | 106.7 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | W323 R324 V329 Q330 T331 | W323-A327 WeakPolarHBondContact O-CB 3.05Å; W323-A327 PolarHBondContact O-N 2.83Å; R324-A327 PolarHBondContact O-N 3.23Å; A327-V329 PolarHBondContact O-N 3.42Å; A327-Q330 PolarHBondContact O-N 2.81Å; A327-T331 WeakPolarHBondContact O-CG2 3.39Å; A327-T331 PolarHBondContact O-N 2.99Å; A327-T331 PolarHBondContact O-OG1 3.09Å |
| 328 | E | 86.9 | Confident | 79.9 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -48.5 | 175.5 | -74.5 | 176.1 | -174.5 | 0 | 0 | 111.6 | R324 Q330 T331 L332 | R324-E328 WeakPolarHBondContact O-CG 3.44Å; R324-E328 PolarHBondContact O-N 3.47Å; E328-Q330 VanDerWaalsContact C-N 3.31Å; E328-Q330 PolarHBondContact O-N 3.02Å; E328-T331 WeakPolarHBondContact CA-OG1 3.27Å; E328-T331 PolarHBondContact O-N 2.79Å; E328-T331 VanDerWaalsContact O-N 3.15Å; E328-T331 PolarHBondContact O-OG1 3.19Å; E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 3.25Å |
| 329 | V | 84.2 | Confident | 78.1 | Confident | 73 Ų | 73 | 109.9 Ų | 109.9 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | E325 H326 A327 K333 | E325-V329 VanDerWaalsContact O-CG2 3.31Å; E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 2.94Å; E325-V329 VanDerWaalsContact O-N 3.09Å; H326-V329 PolarHBondContact O-N 3.42Å; A327-V329 PolarHBondContact O-N 3.42Å; V329-K333 HydrophobicContact CG1-CD 4.37Å; V329-K333 WeakPolarHBondContact O-CG 3.48Å; V329-K333 PolarHBondContact O-N 3.31Å |
| 330 | Q | 79.8 | Confident | 76 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.5 | -38.9 | 175.9 | -74.6 | -176.3 | 2.4 | 0 | 0 | 112.5 | H326 A327 E328 K333 K334 | H326-Q330 WeakPolarHBondContact O-CG 3.36Å; H326-Q330 PolarHBondContact O-N 3.18Å; A327-Q330 PolarHBondContact O-N 2.81Å; E328-Q330 VanDerWaalsContact C-N 3.31Å; E328-Q330 PolarHBondContact O-N 3.02Å; Q330-K333 PolarHBondContact O-N 3.13Å; Q330-K334 PolarHBondContact O-N 3Å |
| 331 | T | 81.4 | Confident | 73.8 | Confident | 76 Ų | 76 | 119.4 Ų | 119.4 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 176.5 | 62 | 0 | 0 | 0 | 0 | 112.2 | A327 E328 K334 K335 | A327-T331 WeakPolarHBondContact O-CG2 3.39Å; A327-T331 PolarHBondContact O-N 2.99Å; A327-T331 PolarHBondContact O-OG1 3.09Å; E328-T331 WeakPolarHBondContact CA-OG1 3.27Å; E328-T331 PolarHBondContact O-N 2.79Å; E328-T331 VanDerWaalsContact O-N 3.15Å; E328-T331 PolarHBondContact O-OG1 3.19Å; T331-K334 PolarHBondContact O-N 3.31Å; T331-K335 WeakPolarHBondContact O-CG 3.29Å; T331-K335 PolarHBondContact O-N 3.5Å |
| 332 | L | 81.9 | Confident | 71.5 | Confident | 101 Ų | 101 | 122.3 Ų | 122.3 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64 | -42.8 | 175.2 | -71.2 | 168.3 | 0 | 0 | 0 | 111.6 | E328 K334 K335 Q336 | E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 3.25Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.18Å; L332-K335 PolarHBondContact O-N 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.5Å; L332-Q336 PolarHBondContact O-N 3.24Å; L332-Q336 VanDerWaalsContact O-N 3.15Å |
| 333 | K | 76.3 | Confident | 69.3 | Low | 150 Ų | 150 | 125.1 Ų | 125.1 | 65% | 0.652 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.9 | -37.8 | 174.6 | -75.4 | -178.7 | 178.2 | -173.8 | 0 | 112.8 | V329 Q330 Q336 A337 | V329-K333 HydrophobicContact CG1-CD 4.37Å; V329-K333 WeakPolarHBondContact O-CG 3.48Å; V329-K333 PolarHBondContact O-N 3.31Å; Q330-K333 PolarHBondContact O-N 3.13Å; K333-Q336 PolarHBondContact O-N 3.06Å; K333-A337 PolarHBondContact O-N 3.18Å |
| 334 | K | 73.2 | Confident | 67.3 | Low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 174.5 | -81.1 | -177.2 | 177.1 | 178.5 | 0 | 112.7 | Q330 T331 L332 Q336 | Q330-K334 PolarHBondContact O-N 3Å; T331-K334 PolarHBondContact O-N 3.31Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.18Å; K334-Q336 VanDerWaalsContact C-N 3.33Å |
| 335 | K | 71.3 | Confident | 64.7 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.9 | -23 | 176.9 | -74.3 | -177.8 | 178.5 | -178.2 | 0 | 113.7 | T331 L332 | T331-K335 WeakPolarHBondContact O-CG 3.29Å; T331-K335 PolarHBondContact O-N 3.5Å; L332-K335 PolarHBondContact O-N 3.29Å |
| 336 | Q | 62.7 | Low | 62.3 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -2.9 | 179.4 | -71.3 | 178 | -9 | 0 | 0 | 114.4 | L332 K333 K334 | L332-Q336 WeakPolarHBondContact O-CG 3.5Å; L332-Q336 PolarHBondContact O-N 3.24Å; L332-Q336 VanDerWaalsContact O-N 3.15Å; K333-Q336 PolarHBondContact O-N 3.06Å; K334-Q336 VanDerWaalsContact C-N 3.33Å |
| 337 | A | 51.1 | Low | 60 | Low | 66 Ų | 66 | 135.2 Ų | 135.2 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -73.8 | 127.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K333 A339 | K333-A337 PolarHBondContact O-N 3.18Å; A337-A339 PolarHBondContact O-N 2.9Å |
| 338 | P | 52.3 | Low | 57.5 | Low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -66.4 | 132.5 | -179.3 | 25.8 | -30.8 | 0 | 0 | 0 | 109.7 | K340 | P338-K340 PolarHBondContact O-N 2.96Š| ||
| 339 | A | 51.3 | Low | 54.9 | Low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -58.5 | 100.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A337 S341 | A337-A339 PolarHBondContact O-N 2.9Å; A339-S341 PolarHBondContact O-N 3.26Å | ||
| 340 | K | 46.7 | Very low | 52.3 | Low | 203 Ų | 203 | 139.5 Ų | 139.5 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -59.1 | 109.1 | 164.9 | -85.6 | -174.3 | 174.7 | -179.1 | 0 | 106.8 | P338 K342 | P338-K340 PolarHBondContact O-N 2.96Å; K340-K342 PolarHBondContact O-N 3.23Å | ||
| 341 | S | 43 | Very low | 50 | Low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -49.6 | 111 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | A339 S343 | A339-S341 PolarHBondContact O-N 3.26Å; S341-S343 VanDerWaalsContact C-N 3.33Å; S341-S343 PolarHBondContact O-N 3.12Å | ||
| 342 | K | 41.7 | Very low | 47.6 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -65.8 | 98.7 | 162 | -90.5 | -178.6 | 172.3 | 178.9 | 0 | 106.9 | K340 K344 | K340-K342 PolarHBondContact O-N 3.23Å; K342-K344 PolarHBondContact O-N 3.04Å | ||
| 343 | S | 39.2 | Very low | 45.1 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -61 | 114.6 | 165.5 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | S341 K345 | S341-S343 VanDerWaalsContact C-N 3.33Å; S341-S343 PolarHBondContact O-N 3.12Å; S343-K345 PolarHBondContact O-N 2.99Å | ||
| 344 | K | 44.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 120 | 166.6 | -121.4 | 179.4 | 175.5 | -177.3 | 0 | 107.2 | K342 | K342-K344 PolarHBondContact O-N 3.04Š| ||
| 345 | K | 34 | Very low | 40.7 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -132.1 | 95.5 | 158.7 | -147.4 | 177.8 | -173.8 | -177.9 | 0 | 108.5 | S343 | S343-K345 PolarHBondContact O-N 2.99Š| ||
| 346 | D | 37.3 | Very low | 38.8 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | -77 | 137.3 | 168.5 | -89.7 | -49.5 | 0 | 0 | 0 | 110.2 | ||||
| 347 | K | 35.4 | Very low | 37.2 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 70.9 | 114.4 | 144.7 | -76.6 | -177.4 | 175.4 | 179.4 | 0 | 122.3 | ||||
| 348 | A | 33.3 | Very low | 36.1 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | 101.9 | 113.9 | 112.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 349 | N | 31.8 | Very low | 35 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | 52.8 | 125.1 | 137.9 | -68.1 | -3 | 0 | 0 | 0 | 121.6 | ||||
| 350 | G | 30.4 | Very low | 33.9 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 160.1 | 77.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 351 | V | 31 | Very low | 33.2 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 59 | 119.9 | 132.8 | -177.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 352 | N | 31.2 | Very low | 33.3 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 49.9 | 129.7 | 145.2 | -61.8 | -13.4 | 0 | 0 | 0 | 122.7 | ||||
| 353 | G | 28.7 | Very low | 32.8 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | 125.3 | 107.3 | 115.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 354 | V | 29.6 | Very low | 32.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 72 | 119 | 131.2 | -177.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 355 | S | 28.6 | Very low | 32.2 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 20 | 139.2 | 149.3 | 73.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 356 | S | 31.5 | Very low | 32.2 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 166.3 | 160 | 101.6 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 357 | H | 29.2 | Very low | 32 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 93% | 0.931 | 80% | 0.795 | S | S | * | * | trans | -52.1 | 164.7 | 179.3 | -93.9 | -91.1 | 0 | 0 | 0 | 117.3 | ||||
| 358 | G | 28 | Very low | 32.2 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 128.1 | 101.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 359 | A | 28.2 | Very low | 32.5 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | 74.2 | 131.8 | 84.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 360 | D | 29.6 | Very low | 33.1 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 87.9 | 116.8 | 155.5 | -61.4 | -26.5 | 0 | 0 | 0 | 122.7 | ||||
| 361 | S | 32.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | trans | -55 | 160.9 | 150.8 | -164.9 | 0 | 0 | 0 | 0 | 111.2 | R363 | S361-R363 PolarHBondContact OG-N 3.25Š| ||
| 362 | P | 43.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | -144.7 | 140.4 | 95.1 | 29.5 | -10.2 | 0 | 0 | 0 | 116.4 | |||||
| 363 | R | 31.5 | Very low | 33.5 | Very low | 229 Ų | 229 | 144.2 Ų | 144.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -10.6 | 144.7 | 147.7 | -106 | 174 | 172.7 | 163.7 | -1.3 | 119.8 | S361 | S361-R363 PolarHBondContact OG-N 3.25Š| ||
| 364 | S | 35.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | 138.2 | 150 | 119.8 | 72.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 365 | R | 34.7 | Very low | 34 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | cis | -166 | 151.8 | 2.9 | -135.6 | 176.5 | 179.5 | 174 | -2.6 | 105.5 | ||||
| 366 | K | 34.5 | Very low | 34.4 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | trans | 29.2 | 137 | 140.4 | -82.6 | 179.4 | 170.2 | -172.7 | 0 | 119.1 | ||||
| 367 | E | 32.8 | Very low | 34.6 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 85% | 0.849 | S | S | * | * | -170.2 | 157.5 | 69.1 | -130.4 | 152 | -140.1 | 0 | 0 | 113.5 | |||||
| 368 | K | 41 | Very low | 35 | Very low | 204 Ų | 204 | 151.9 Ų | 151.9 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -106.6 | 140.7 | 169.9 | -88.1 | -178.4 | 171.5 | -178.1 | 0 | 108.7 | ||||
| 369 | S | 38.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 81% | 0.811 | 86% | 0.856 | S | S | * | * | trans | -173.5 | 141.3 | 148.7 | 50.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 370 | S | 44.9 | Very low | 36.3 | Very low | 193 Ų | 193 | 165.1 Ų | 165.1 | 100% | 1.35 | 86% | 0.864 | S | S | * | * | cis | -150.1 | 0 | 3.1 | -86 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 370 of 370 residues in 1051.6 ms
(Link to these results)