| 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 | 43.1 | Very low | 46.8 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 100% | 1.177 | 83% | 0.831 | S | S | * | * | 0 | 95.8 | 0 | -84.3 | -177.9 | 168.2 | 0 | 0 | 105.9 | R3 | M1-R3 PolarHBondContact O-N 3.16Š| |||
| 2 | D | 46.8 | Very low | 46.5 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 124.8 | -173.7 | -60.9 | -40.6 | 0 | 0 | 0 | 109.6 | A4 | D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | R | 44.5 | Very low | 46.3 | Very low | 245 Ų | 245 | 155.4 Ų | 155.4 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 110.5 | -178.4 | -172.4 | 175.6 | -165.2 | 150.9 | 2.2 | 108 | M1 | M1-R3 PolarHBondContact O-N 3.16Š| ||
| 4 | A | 47.5 | Very low | 46.2 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D2 A6 | D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 VanDerWaalsContact O-N 3.16Å; A4-A6 PolarHBondContact O-N 2.99Å |
| 5 | P | 45.1 | Very low | 46.2 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.7 | 177.3 | 24.8 | -31.6 | 0 | 0 | 0 | 109.7 | A7 | P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å |
| 6 | A | 48.1 | Very low | 45.9 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 116.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A4 Y8 | A4-A6 PolarHBondContact O-N 2.99Å; A6-Y8 PolarHBondContact O-N 3.13Å |
| 7 | A | 43.1 | Very low | 46.2 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P5 | P5-A7 PolarHBondContact O-N 3.2Å; P5-A7 VanDerWaalsContact O-N 3.13Å |
| 8 | Y | 52.7 | Low | 46.2 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 124.6 | 171.5 | 55.7 | -85.2 | 0 | 0 | 0 | 107.8 | A6 T10 | A6-Y8 PolarHBondContact O-N 3.13Å; Y8-T10 HydrophobicContact CD2-CG2 3.8Å; Y8-T10 HydrophobicContact CE2-CG2 3.79Å; Y8-T10 PolarHBondContact O-N 3.43Å |
| 9 | E | 50.7 | Low | 46.2 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -83.1 | 110.2 | 173.2 | -169.7 | 168.6 | -172.3 | 0 | 0 | 108 | T11 | E9-T11 PolarHBondContact O-N 3.11Š| ||
| 10 | T | 47.5 | Very low | 46.3 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 98.2 | 174.5 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | Y8 Y12 | Y8-T10 HydrophobicContact CD2-CG2 3.8Å; Y8-T10 HydrophobicContact CE2-CG2 3.79Å; Y8-T10 PolarHBondContact O-N 3.43Å; T10-Y12 PolarHBondContact O-N 3.25Å | ||
| 11 | T | 45.7 | Very low | 46.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 104 | 169.9 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | E9 E13 | E9-T11 PolarHBondContact O-N 3.11Å; T11-E13 PolarHBondContact O-N 2.76Å | ||
| 12 | Y | 43.7 | Very low | 46.7 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -75 | 103.3 | 164.6 | 55.6 | -81.7 | 0 | 0 | 0 | 107 | T10 T14 | T10-Y12 PolarHBondContact O-N 3.25Å; Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 VanDerWaalsContact CD2-OG1 3.25Å; Y12-T14 WeakPolarHBondContact CD2-OG1 3.28Å; Y12-T14 WeakPolarHBondContact CE2-OG1 3.49Å; Y12-T14 PolarHBondContact O-N 3.14Å | ||
| 13 | E | 44 | Very low | 47 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | trans | -68.5 | 97.6 | 169.2 | -163.4 | -179.3 | -173 | 0 | 0 | 107.2 | T11 R15 | T11-E13 PolarHBondContact O-N 2.76Å; E13-R15 PolarHBondContact O-N 2.85Å | ||
| 14 | T | 44.5 | Very low | 47.9 | Very low | 74 Ų | 74 | 123 Ų | 123 | 45% | 0.454 | 68% | 0.677 | S | S | . | * | trans | -71.4 | 89.4 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 106.7 | Y12 Y16 | Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 VanDerWaalsContact CD2-OG1 3.25Å; Y12-T14 WeakPolarHBondContact CD2-OG1 3.28Å; Y12-T14 WeakPolarHBondContact CE2-OG1 3.49Å; Y12-T14 PolarHBondContact O-N 3.14Å; T14-Y16 HydrophobicContact CG2-CE1 4.28Å; T14-Y16 HydrophobicContact CG2-CE2 4.34Å; T14-Y16 WeakPolarHBondContact O-CD2 3.21Å; T14-Y16 WeakPolarHBondContact O-CE2 3.25Å; T14-Y16 PolarHBondContact O-N 3.46Å | ||
| 15 | R | 46.2 | Very low | 48.7 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 47% | 0.468 | 67% | 0.666 | S | S | . | * | trans | -71.1 | 99.2 | 179.6 | -158.6 | -173.8 | -126.5 | -174 | 0.9 | 108.6 | E13 E17 H171 T173 | E13-R15 PolarHBondContact O-N 2.85Å; R15-E17 PolarHBondContact O-N 3.33Å; R15-E17 VanDerWaalsContact O-N 3.07Å; R15-H171 PolarHBondContact NH1-ND1 2.94Å; R15-T173 VanDerWaalsContact NH2-CG2 3.31Å | ||
| 16 | Y | 41.6 | Very low | 49.9 | Very low | 196 Ų | 196 | 119.7 Ų | 119.7 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -67.1 | 104.4 | 170 | -60.4 | -83.9 | 0 | 0 | 0 | 108.5 | T14 T18 | T14-Y16 HydrophobicContact CG2-CE1 4.28Å; T14-Y16 HydrophobicContact CG2-CE2 4.34Å; T14-Y16 WeakPolarHBondContact O-CD2 3.21Å; T14-Y16 WeakPolarHBondContact O-CE2 3.25Å; T14-Y16 PolarHBondContact O-N 3.46Å; Y16-T18 PolarHBondContact O-N 3.05Å | ||
| 17 | E | 51.3 | Low | 50.9 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | trans | -64.6 | 102.5 | 163.2 | -172.9 | 173.8 | 168 | 0 | 0 | 106 | R15 T19 R91 | R15-E17 PolarHBondContact O-N 3.33Å; R15-E17 VanDerWaalsContact O-N 3.07Å; E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 2.89Å; E17-T19 PolarHBondContact O-OG1 3.07Å; E17-R91 IonicContact OE1-CZ 3.55Å; E17-R91 IonicContact OE1-NH1 3.7Å; E17-R91 PolarHBondContact OE1-NH1 3.37Å; E17-R91 IonicContact OE1-NH2 3.17Å; E17-R91 IonicContact OE2-NH1 3.18Å; E17-R91 PolarHBondContact OE2-NH1 3.44Å | ||
| 18 | T | 46 | Very low | 52.1 | Low | 127 Ų | 127 | 117 Ų | 117 | 78% | 0.779 | 61% | 0.613 | S | S | * | * | trans | -53.9 | 107.2 | 166.7 | -55.1 | 0 | 0 | 0 | 0 | 105.6 | Y16 D20 | Y16-T18 PolarHBondContact O-N 3.05Å; T18-D20 PolarHBondContact O-N 3Å | ||
| 19 | T | 46.7 | Very low | 53 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | trans | -71.2 | 76 | 175.8 | -56.6 | 0 | 0 | 0 | 0 | 105.8 | E17 V21 | E17-T19 VanDerWaalsContact C-N 3.32Å; E17-T19 PolarHBondContact O-N 2.89Å; E17-T19 PolarHBondContact O-OG1 3.07Å; T19-V21 PolarHBondContact O-N 2.91Å; T19-V21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | D | 47.3 | Very low | 54.1 | Low | 108 Ų | 108 | 101.4 Ų | 101.4 | 58% | 0.578 | 55% | 0.55 | S | S | * | * | trans | -59.3 | 117.7 | 166.3 | -163.6 | 5.4 | 0 | 0 | 0 | 104.7 | T18 S22 S23 | T18-D20 PolarHBondContact O-N 3Å; D20-S22 WeakPolarHBondContact CB-OG 3.49Å; D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.83Å; D20-S22 PolarHBondContact OD2-OG 2.86Å; D20-S23 WeakPolarHBondContact O-CA 3.46Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.42Å | ||
| 21 | V | 48.1 | Very low | 55.5 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -61 | -7.3 | -170.8 | -93.8 | 0 | 0 | 0 | 0 | 113 | T19 S23 | T19-V21 PolarHBondContact O-N 2.91Å; T19-V21 VanDerWaalsContact O-N 3.09Å; V21-S23 PolarHBondContact O-N 3.23Å; V21-S23 VanDerWaalsContact O-N 3.16Å |
| 22 | S | 49.4 | Very low | 57.1 | Low | 81 Ų | 81 | 102 Ų | 102 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -57.9 | -11.7 | 159.1 | 56 | 0 | 0 | 0 | 0 | 113.8 | D20 V24 | D20-S22 WeakPolarHBondContact CB-OG 3.49Å; D20-S22 VanDerWaalsContact CG-OG 3.24Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-S22 PolarHBondContact O-OG 2.83Å; D20-S22 PolarHBondContact OD2-OG 2.86Å; S22-V24 VanDerWaalsContact C-N 3.32Å; S22-V24 PolarHBondContact O-N 3.33Å |
| 23 | S | 53.9 | Low | 58.8 | Low | 51 Ų | 51 | 98.2 Ų | 98.2 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.7 | -175.4 | 166.5 | 0 | 0 | 0 | 0 | 116.2 | D20 V21 | D20-S23 WeakPolarHBondContact O-CA 3.46Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.42Å; V21-S23 PolarHBondContact O-N 3.23Å; V21-S23 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 63.6 | Low | 60.6 | Low | 95 Ų | 95 | 91.7 Ų | 91.7 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -72.9 | -42.5 | -173.2 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | S22 F87 | S22-V24 VanDerWaalsContact C-N 3.32Å; S22-V24 PolarHBondContact O-N 3.33Å; V24-F87 HydrophobicContact CG1-CD1 4.11Å; V24-F87 HydrophobicContact CG1-CE1 4.32Å; V24-F87 WeakPolarHBondContact O-CD1 3.41Å |
| 25 | I | 63.7 | Low | 62.5 | Low | 90 Ų | 90 | 88.1 Ų | 88.1 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -114.7 | 112.3 | -176.6 | -63.6 | 176.2 | 0 | 0 | 0 | 109.6 | V27 L86 F87 | I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.83Å; I25-L86 HydrophobicContact CB-CD2 4.17Å; I25-L86 HydrophobicContact CG1-CD2 3.94Å; I25-L86 HydrophobicContact CG2-CD2 3.66Å; I25-L86 HydrophobicContact CG2-CG 4.26Å; I25-F87 HydrophobicContact CG1-CD1 4.37Å; I25-F87 HydrophobicContact CG1-CE1 3.94Å |
| 26 | N | 69.4 | Low | 64.5 | Low | 51 Ų | 51 | 86 Ų | 86 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | trans | -77.1 | 82.7 | 174.1 | -170.5 | -13.5 | 0 | 0 | 0 | 110.5 | G28 F29 L86 | N26-G28 PolarHBondContact O-N 3.28Å; N26-G28 WeakPolarHBondContact OD1-CA 3.43Å; N26-G28 PolarHBondContact OD1-N 3.42Å; N26-F29 HydrophobicContact CB-CB 4.17Å; N26-F29 VanDerWaalsContact O-CB 3.31Å; N26-F29 WeakPolarHBondContact O-CB 2.97Å; N26-F29 PolarHBondContact O-N 3.32Å; N26-F29 PolarHBondContact OD1-N 3.06Å; N26-L86 PolarHBondContact N-O 2.67Å | ||
| 27 | V | 69.5 | Low | 66.8 | Low | 89 Ų | 89 | 77.9 Ų | 77.9 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -28.1 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | I25 F29 V30 | I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.83Å; V27-F29 PolarHBondContact O-N 2.75Å; V27-V30 PolarHBondContact O-N 2.89Å |
| 28 | G | 69.6 | Low | 68.6 | Low | 49 Ų | 49 | 72 Ų | 72 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -34 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N26 V30 R31 S32 | N26-G28 PolarHBondContact O-N 3.28Å; N26-G28 WeakPolarHBondContact OD1-CA 3.43Å; N26-G28 PolarHBondContact OD1-N 3.42Å; G28-V30 PolarHBondContact O-N 3.45Å; G28-R31 PolarHBondContact O-N 2.97Å; G28-S32 PolarHBondContact O-N 2.87Å; G28-S32 VanDerWaalsContact O-N 3.12Å |
| 29 | F | 71.6 | Confident | 70.8 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.8 | 177.4 | -104.8 | 0 | 0 | 0 | 112.2 | N26 V27 R31 S32 G35 K38 Y82 Y85 V167 | N26-F29 HydrophobicContact CB-CB 4.17Å; N26-F29 VanDerWaalsContact O-CB 3.31Å; N26-F29 WeakPolarHBondContact O-CB 2.97Å; N26-F29 PolarHBondContact O-N 3.32Å; N26-F29 PolarHBondContact OD1-N 3.06Å; V27-F29 PolarHBondContact O-N 2.75Å; F29-R31 PolarHBondContact O-N 3.07Å; F29-S32 VanDerWaalsContact O-CB 3.3Å; F29-S32 WeakPolarHBondContact O-CB 3.29Å; F29-S32 PolarHBondContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 3.21Å; F29-G35 WeakPolarHBondContact O-CA 3.08Å; F29-K38 HydrophobicContact CZ-CD 4.46Å; F29-Y82 HydrophobicContact CE1-CD2 4.02Å; F29-Y82 HydrophobicContact CE1-CE2 4.07Å; F29-Y85 VanDerWaalsContact CE1-CB 3.47Å; F29-Y85 HydrophobicContact CE1-CG 4.43Å; F29-Y85 HydrophobicContact CE2-CG 4.02Å; F29-Y85 HydrophobicContact CZ-CD2 4.07Å; F29-Y85 AromaticContact CZ-CG 3.82Å; F29-Y85 HydrophobicContact CZ-CG 3.82Å; F29-V167 HydrophobicContact CD2-CG2 3.66Å; F29-V167 HydrophobicContact CE2-CG2 3.6Å |
| 30 | V | 73.3 | Confident | 73 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -31.2 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | V27 G28 | V27-V30 PolarHBondContact O-N 2.89Å; G28-V30 PolarHBondContact O-N 3.45Å |
| 31 | R | 76.3 | Confident | 75.3 | Confident | 207 Ų | 207 | 61.4 Ų | 61.4 | 78% | 0.781 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -88.4 | -9.7 | 176.8 | -64.9 | -175.7 | 177.3 | 171.5 | -0.1 | 113.7 | G28 F29 | G28-R31 PolarHBondContact O-N 2.97Å; F29-R31 PolarHBondContact O-N 3.07Å |
| 32 | S | 80.2 | Confident | 77.6 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -72.4 | 151.9 | 177.2 | 77.9 | 0 | 0 | 0 | 0 | 110.8 | G28 F29 S34 G35 I36 | G28-S32 PolarHBondContact O-N 2.87Å; G28-S32 VanDerWaalsContact O-N 3.12Å; F29-S32 VanDerWaalsContact O-CB 3.3Å; F29-S32 WeakPolarHBondContact O-CB 3.29Å; F29-S32 PolarHBondContact O-N 3.09Å; F29-S32 PolarHBondContact O-OG 3.21Å; S32-S34 PolarHBondContact O-N 2.73Å; S32-G35 PolarHBondContact O-N 2.82Å; S32-G35 PolarHBondContact OG-N 3.49Å; S32-G35 VanDerWaalsContact OG-N 3.1Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.37Å |
| 33 | L | 79.7 | Confident | 79.8 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 60% | 0.602 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -54 | -43.4 | 176.9 | -175.8 | 67.8 | 0 | 0 | 0 | 111.5 | G35 I36 L37 T149 | L33-G35 VanDerWaalsContact C-N 3.35Å; L33-G35 PolarHBondContact O-N 2.74Å; L33-I36 PolarHBondContact O-N 3.12Å; L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.96Å; L33-T149 HydrophobicContact CD2-CG2 4.2Å |
| 34 | S | 81.8 | Confident | 81.8 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | S32 K38 R150 | S32-S34 PolarHBondContact O-N 2.73Å; S34-K38 WeakPolarHBondContact O-CG 3.42Å; S34-K38 PolarHBondContact O-N 3.36Å; S34-R150 PolarHBondContact OG-NH2 3.38Å |
| 35 | G | 83.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F29 S32 L33 K38 L39 | F29-G35 WeakPolarHBondContact O-CA 3.08Å; S32-G35 PolarHBondContact O-N 2.82Å; S32-G35 PolarHBondContact OG-N 3.49Å; S32-G35 VanDerWaalsContact OG-N 3.1Å; L33-G35 VanDerWaalsContact C-N 3.35Å; L33-G35 PolarHBondContact O-N 2.74Å; G35-K38 PolarHBondContact O-N 2.95Å; G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.96Å |
| 36 | I | 88.5 | Confident | 85 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 41% | 0.41 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.9 | -63.3 | 166.5 | 0 | 0 | 0 | 110.6 | S32 L33 K38 L39 C40 | S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.37Å; L33-I36 PolarHBondContact O-N 3.12Å; I36-K38 PolarHBondContact O-N 3.08Å; I36-L39 WeakPolarHBondContact O-CB 3.17Å; I36-L39 PolarHBondContact O-N 2.77Å; I36-C40 PolarHBondContact O-N 2.89Å; I36-C40 PolarHBondContact O-SG 2.74Å; I36-C40 VanDerWaalsContact O-SG 3.33Å |
| 37 | L | 89.5 | Confident | 86.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.6 | -71.4 | 173.1 | 0 | 0 | 0 | 112.2 | L33 L39 C40 Q41 V142 E146 | L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.96Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 3.18Å; L37-C40 WeakPolarHBondContact O-CB 3.27Å; L37-C40 PolarHBondContact O-N 3.17Å; L37-Q41 WeakPolarHBondContact O-CG 3.39Å; L37-Q41 PolarHBondContact O-N 2.89Å; L37-V142 HydrophobicContact CD2-CG1 4.3Å; L37-E146 HydrophobicContact CB-CG 4.43Å; L37-E146 HydrophobicContact CD1-CB 4.11Å; L37-E146 HydrophobicContact CD1-CG 4.2Å |
| 38 | K | 89.2 | Confident | 87.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.8 | -73.3 | -166.6 | -175.6 | -54.1 | 0 | 112.7 | F29 S34 G35 I36 C40 Q41 I42 F81 Y82 Y85 E101 E146 | F29-K38 HydrophobicContact CZ-CD 4.46Å; S34-K38 WeakPolarHBondContact O-CG 3.42Å; S34-K38 PolarHBondContact O-N 3.36Å; G35-K38 PolarHBondContact O-N 2.95Å; I36-K38 PolarHBondContact O-N 3.08Å; K38-C40 VanDerWaalsContact C-N 3.33Å; K38-Q41 WeakPolarHBondContact O-CB 3.31Å; K38-Q41 PolarHBondContact O-N 3Å; K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.02Å; K38-F81 HydrophobicContact CD-CB 4.28Å; K38-Y82 HydrophobicContact CB-CD2 3.93Å; K38-Y85 HydrophobicContact CD-CD2 4.2Å; K38-E101 WeakPolarHBondContact CE-OE1 3.45Å; K38-E101 IonicContact NZ-OE1 3.83Å; K38-E101 PolarHBondContact NZ-OE1 2.78Å; K38-E146 IonicContact NZ-OE1 2.67Å; K38-E146 PolarHBondContact NZ-OE1 2.91Å |
| 39 | L | 91.4 | Very high | 88.8 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.9 | -178.1 | 62 | 0 | 0 | 0 | 110.9 | G35 I36 L37 Q41 I42 L43 Y82 | G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.96Å; I36-L39 WeakPolarHBondContact O-CB 3.17Å; I36-L39 PolarHBondContact O-N 2.77Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 3.18Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.83Å; L39-I42 PolarHBondContact O-N 2.83Å; L39-L43 HydrophobicContact CG-CD1 4.37Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.22Å; L39-Y82 HydrophobicContact CB-CE2 4.38Å |
| 40 | C | 94.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 172.8 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | I36 L37 K38 I42 L43 L44 V142 | I36-C40 PolarHBondContact O-N 2.89Å; I36-C40 PolarHBondContact O-SG 2.74Å; I36-C40 VanDerWaalsContact O-SG 3.33Å; L37-C40 WeakPolarHBondContact O-CB 3.27Å; L37-C40 PolarHBondContact O-N 3.17Å; K38-C40 VanDerWaalsContact C-N 3.33Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-I42 PolarHBondContact O-N 3.45Å; C40-L43 PolarHBondContact O-N 3.09Å; C40-L44 HydrophobicContact CB-CD1 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CD1 3.42Å; C40-L44 PolarHBondContact O-N 2.9Å; C40-V142 HydrophobicContact CB-CG1 4.25Å |
| 41 | Q | 94.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -46.6 | 176.6 | -69 | 171.2 | -6.7 | 0 | 0 | 112 | L37 K38 L39 L43 L44 S45 A78 V142 Y143 E146 | L37-Q41 WeakPolarHBondContact O-CG 3.39Å; L37-Q41 PolarHBondContact O-N 2.89Å; K38-Q41 WeakPolarHBondContact O-CB 3.31Å; K38-Q41 PolarHBondContact O-N 3Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.83Å; Q41-L43 PolarHBondContact O-N 3.4Å; Q41-L44 PolarHBondContact O-N 3.16Å; Q41-S45 PolarHBondContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 3.22Å; Q41-S45 VanDerWaalsContact O-OG 3.12Å; Q41-A78 HydrophobicContact CB-CB 4.3Å; Q41-V142 HydrophobicContact CG-CG1 3.76Å; Q41-Y143 HydrophobicContact CB-CE2 3.9Å; Q41-Y143 HydrophobicContact CG-CD2 3.88Å; Q41-Y143 HydrophobicContact CG-CE2 3.44Å; Q41-Y143 VanDerWaalsContact CG-CE2 3.44Å; Q41-E146 VanDerWaalsContact CD-OE2 3.23Å; Q41-E146 PolarHBondContact NE2-OE2 3.41Å; Q41-E146 PolarHBondContact OE1-OE2 2.9Å |
| 42 | I | 95.6 | Very high | 91.5 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 178.1 | -65.7 | 165.7 | 0 | 0 | 0 | 110.6 | K38 L39 C40 L44 S45 C46 A78 Y82 | K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.02Å; L39-I42 PolarHBondContact O-N 2.83Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-I42 PolarHBondContact O-N 3.45Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 2.95Å; I42-S45 PolarHBondContact O-N 3.19Å; I42-C46 PolarHBondContact O-N 3.5Å; I42-C46 PolarHBondContact O-SG 3.08Å; I42-C46 VanDerWaalsContact O-SG 3.34Å; I42-A78 HydrophobicContact CG1-CB 3.71Å; I42-Y82 HydrophobicContact CD1-CD2 4.42Å; I42-Y82 HydrophobicContact CD1-CG 4.07Å |
| 43 | L | 96.9 | Very high | 92 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | -179.6 | -67.9 | 178.1 | 0 | 0 | 0 | 111.9 | L39 C40 Q41 C46 I47 | L39-L43 HydrophobicContact CG-CD1 4.37Å; L39-L43 WeakPolarHBondContact O-CG 3.39Å; L39-L43 PolarHBondContact O-N 3.22Å; C40-L43 PolarHBondContact O-N 3.09Å; Q41-L43 PolarHBondContact O-N 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.03Å; L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å |
| 44 | L | 96.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 178.8 | -88.8 | 72.2 | 0 | 0 | 0 | 111.6 | C40 Q41 I42 C46 I47 V48 I138 A139 V142 | C40-L44 HydrophobicContact CB-CD1 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CD1 3.42Å; C40-L44 PolarHBondContact O-N 2.9Å; Q41-L44 PolarHBondContact O-N 3.16Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 2.95Å; L44-C46 VanDerWaalsContact C-N 3.34Å; L44-C46 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 3.03Å; L44-V48 WeakPolarHBondContact O-CG2 3.17Å; L44-V48 PolarHBondContact O-N 2.93Å; L44-I138 HydrophobicContact CD2-CB 3.96Å; L44-I138 HydrophobicContact CD2-CG2 3.64Å; L44-A139 HydrophobicContact CB-CB 4.27Å; L44-A139 VanDerWaalsContact CD2-CA 3.48Å; L44-A139 HydrophobicContact CD2-CB 3.87Å; L44-V142 HydrophobicContact CD2-CG2 4.25Å |
| 45 | S | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 173.1 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | Q41 I42 V48 L49 A71 T74 | Q41-S45 PolarHBondContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 3.22Å; Q41-S45 VanDerWaalsContact O-OG 3.12Å; I42-S45 PolarHBondContact O-N 3.19Å; S45-V48 PolarHBondContact O-N 2.96Å; S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 3.03Å; S45-A71 WeakPolarHBondContact CB-O 3.3Å; S45-T74 PolarHBondContact OG-OG1 3.2Å; S45-T74 VanDerWaalsContact OG-OG1 3.05Å |
| 46 | C | 97 | Very high | 92.3 | Very high | 47 Ų | 47 | 43 Ų | 43 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.5 | -70 | 0 | 0 | 0 | 0 | 112.2 | I42 L43 L44 V48 L49 I50 L75 | I42-C46 PolarHBondContact O-N 3.5Å; I42-C46 PolarHBondContact O-SG 3.08Å; I42-C46 VanDerWaalsContact O-SG 3.34Å; L43-C46 WeakPolarHBondContact O-CB 3.31Å; L43-C46 PolarHBondContact O-N 3.03Å; L44-C46 VanDerWaalsContact C-N 3.34Å; L44-C46 PolarHBondContact O-N 3.46Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.23Å; C46-L49 PolarHBondContact O-N 3.23Å; C46-I50 VanDerWaalsContact O-CG1 3.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.35Å; C46-L75 WeakPolarHBondContact SG-CD1 3.47Å |
| 47 | I | 96.7 | Very high | 91.9 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.9 | -69.7 | 164.9 | 0 | 0 | 0 | 110.4 | L43 L44 L49 I50 C51 F135 | L43-I47 VanDerWaalsContact O-CG1 3.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.19Å; L44-I47 PolarHBondContact O-N 3.03Å; I47-L49 PolarHBondContact O-N 3.03Å; I47-I50 PolarHBondContact O-N 3.18Å; I47-C51 PolarHBondContact O-N 3.24Å; I47-C51 PolarHBondContact O-SG 3.48Å; I47-F135 HydrophobicContact CG2-CB 4.36Å; I47-F135 HydrophobicContact CG2-CD1 3.86Å; I47-F135 HydrophobicContact CG2-CD2 3.46Å; I47-F135 VanDerWaalsContact CG2-CD2 3.46Å; I47-F135 HydrophobicContact CG2-CE1 3.95Å; I47-F135 HydrophobicContact CG2-CE2 3.57Å; I47-F135 HydrophobicContact CG2-CG 3.63Å; I47-F135 HydrophobicContact CG2-CZ 3.82Å |
| 48 | V | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 179 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L44 S45 C46 I50 C51 V52 V67 A71 W112 F135 | L44-V48 WeakPolarHBondContact O-CG2 3.17Å; L44-V48 PolarHBondContact O-N 2.93Å; S45-V48 PolarHBondContact O-N 2.96Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 PolarHBondContact O-N 3.23Å; V48-I50 VanDerWaalsContact C-N 3.29Å; V48-I50 PolarHBondContact O-N 3.1Å; V48-C51 PolarHBondContact O-N 2.98Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.46Å; V48-V52 VanDerWaalsContact O-N 3.08Å; V48-V67 HydrophobicContact CG1-CG1 3.54Å; V48-A71 HydrophobicContact CB-CB 4.21Å; V48-A71 HydrophobicContact CG1-CB 3.92Å; V48-W112 HydrophobicContact CB-CH2 4.04Å; V48-W112 HydrophobicContact CB-CZ3 4.33Å; V48-W112 HydrophobicContact CG1-CH2 4.22Å; V48-W112 HydrophobicContact CG1-CZ3 4.16Å; V48-W112 HydrophobicContact CG2-CH2 3.81Å; V48-W112 HydrophobicContact CG2-CZ3 3.88Å; V48-F135 HydrophobicContact CG2-CB 3.64Å |
| 49 | L | 95.3 | Very high | 90.9 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 172.7 | -73.9 | 172 | 0 | 0 | 0 | 111.5 | S45 C46 I47 V52 A53 N68 A71 A72 L75 | S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 3.03Å; C46-L49 PolarHBondContact O-N 3.23Å; I47-L49 PolarHBondContact O-N 3.03Å; L49-V52 PolarHBondContact O-N 3.13Å; L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.49Å; L49-N68 HydrophobicContact CD2-CB 4.32Å; L49-A71 HydrophobicContact CD2-CB 3.75Å; L49-A71 HydrophobicContact CG-CB 3.74Å; L49-A72 HydrophobicContact CD2-CB 4.23Å; L49-L75 HydrophobicContact CD1-CD1 3.75Å |
| 50 | I | 94 | Very high | 90.3 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66 | -42 | 177.8 | -66.6 | 164.7 | 0 | 0 | 0 | 110.8 | C46 I47 V48 V52 A53 A54 | C46-I50 VanDerWaalsContact O-CG1 3.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.35Å; I47-I50 PolarHBondContact O-N 3.18Å; V48-I50 VanDerWaalsContact C-N 3.29Å; V48-I50 PolarHBondContact O-N 3.1Å; I50-V52 VanDerWaalsContact C-N 3.32Å; I50-V52 PolarHBondContact O-N 3.25Å; I50-A53 PolarHBondContact O-N 3.02Å; I50-A54 VanDerWaalsContact O-CB 3.23Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.42Å |
| 51 | C | 91.8 | Very high | 89.8 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 178.7 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | I47 V48 T55 A131 A132 | I47-C51 PolarHBondContact O-N 3.24Å; I47-C51 PolarHBondContact O-SG 3.48Å; V48-C51 PolarHBondContact O-N 2.98Å; C51-T55 PolarHBondContact O-OG1 2.65Å; C51-A131 HydrophobicContact CB-CB 4.43Å; C51-A132 HydrophobicContact CB-CB 4.14Å |
| 52 | V | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.6 | -47.3 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | V48 L49 I50 A54 T55 W58 V67 N68 | V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.46Å; V48-V52 VanDerWaalsContact O-N 3.08Å; L49-V52 PolarHBondContact O-N 3.13Å; I50-V52 VanDerWaalsContact C-N 3.32Å; I50-V52 PolarHBondContact O-N 3.25Å; V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 3.27Å; V52-T55 PolarHBondContact O-N 2.99Å; V52-W58 HydrophobicContact CB-CZ3 4.25Å; V52-W58 HydrophobicContact CG1-CE3 4.31Å; V52-W58 HydrophobicContact CG1-CZ3 4.36Å; V52-W58 HydrophobicContact CG2-CE3 4.35Å; V52-W58 HydrophobicContact CG2-CH2 4.11Å; V52-W58 HydrophobicContact CG2-CZ3 3.62Å; V52-V67 HydrophobicContact CG2-CB 3.95Å; V52-V67 HydrophobicContact CG2-CG1 3.46Å; V52-V67 VanDerWaalsContact CG2-CG1 3.46Å; V52-N68 WeakPolarHBondContact CB-OD1 3.27Å; V52-N68 WeakPolarHBondContact CG1-ND2 3.37Å; V52-N68 WeakPolarHBondContact CG1-OD1 3.49Å; V52-N68 WeakPolarHBondContact CG2-OD1 3.48Å |
| 53 | A | 90.2 | Very high | 89.2 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L49 I50 T55 | L49-A53 VanDerWaalsContact O-CB 3.27Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.49Å; I50-A53 PolarHBondContact O-N 3.02Å; A53-T55 PolarHBondContact O-N 3.01Å |
| 54 | A | 88.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I50 V52 | I50-A54 VanDerWaalsContact O-CB 3.23Å; I50-A54 WeakPolarHBondContact O-CB 3.41Å; I50-A54 PolarHBondContact O-N 3.42Å; V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 3.27Å |
| 55 | T | 85.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | trans | -112.8 | 85.4 | 179.5 | -51 | 0 | 0 | 0 | 0 | 110.6 | C51 V52 A53 Y57 W58 S59 G128 | C51-T55 PolarHBondContact O-OG1 2.65Å; V52-T55 PolarHBondContact O-N 2.99Å; A53-T55 PolarHBondContact O-N 3.01Å; T55-Y57 VanDerWaalsContact C-N 3.3Å; T55-Y57 PolarHBondContact O-N 2.8Å; T55-W58 HydrophobicContact CG2-CB 3.67Å; T55-W58 PolarHBondContact O-N 2.88Å; T55-W58 VanDerWaalsContact O-N 3.15Å; T55-S59 WeakPolarHBondContact O-CB 3.41Å; T55-S59 PolarHBondContact O-N 2.74Å; T55-G128 VanDerWaalsContact OG1-CA 3.3Å; T55-G128 WeakPolarHBondContact OG1-CA 3.37Å | ||
| 56 | S | 77.9 | Confident | 88.6 | Confident | 90 Ų | 90 | 57 Ų | 57 | 63% | 0.629 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56 | -40 | -174.1 | -48.5 | 0 | 0 | 0 | 0 | 113.7 | I60 | S56-I60 WeakPolarHBondContact O-CD1 3.46Å; S56-I60 WeakPolarHBondContact O-CG1 3.49Å |
| 57 | Y | 79.2 | Confident | 88.5 | Confident | 157 Ų | 157 | 54.8 Ų | 54.8 | 62% | 0.616 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 179.3 | -175.9 | -104 | 0 | 0 | 0 | 112 | T55 H61 | T55-Y57 VanDerWaalsContact C-N 3.3Å; T55-Y57 PolarHBondContact O-N 2.8Å; Y57-H61 AromaticContact CD1-NE2 3.98Å; Y57-H61 AromaticContact CE1-CD2 3.94Å; Y57-H61 AromaticContact CE1-NE2 3.38Å; Y57-H61 WeakPolarHBondContact CE1-NE2 3.46Å; Y57-H61 AromaticContact CE2-NE2 3.94Å; Y57-H61 AromaticContact CZ-NE2 3.35Å; Y57-H61 PolarHBondContact O-CD2 3.21Å |
| 58 | W | 78.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.3 | -34 | -178.4 | -175.3 | 42.1 | 0 | 0 | 0 | 112.8 | V52 T55 I60 H61 S63 V67 A119 H122 K125 A129 A132 | V52-W58 HydrophobicContact CB-CZ3 4.25Å; V52-W58 HydrophobicContact CG1-CE3 4.31Å; V52-W58 HydrophobicContact CG1-CZ3 4.36Å; V52-W58 HydrophobicContact CG2-CE3 4.35Å; V52-W58 HydrophobicContact CG2-CH2 4.11Å; V52-W58 HydrophobicContact CG2-CZ3 3.62Å; T55-W58 HydrophobicContact CG2-CB 3.67Å; T55-W58 PolarHBondContact O-N 2.88Å; T55-W58 VanDerWaalsContact O-N 3.15Å; W58-I60 PolarHBondContact O-N 3.05Å; W58-H61 WeakPolarHBondContact O-CB 3.23Å; W58-H61 PolarHBondContact O-N 3.13Å; W58-H61 VanDerWaalsContact O-N 3.09Å; W58-S63 PolarHBondContact NE1-OG 3.26Å; W58-V67 HydrophobicContact CH2-CB 4.18Å; W58-V67 HydrophobicContact CH2-CG1 4.28Å; W58-V67 HydrophobicContact CH2-CG2 3.75Å; W58-V67 HydrophobicContact CZ2-CG2 3.83Å; W58-A119 HydrophobicContact CH2-CB 4.2Å; W58-A119 HydrophobicContact CZ2-CB 4.46Å; W58-H122 AromaticContact NE1-ND1 3.83Å; W58-K125 HydrophobicContact CB-CB 4.22Å; W58-K125 HydrophobicContact CG-CB 4.2Å; W58-K125 HydrophobicContact CG-CD 4.17Å; W58-A129 HydrophobicContact CD2-CB 4.09Å; W58-A129 HydrophobicContact CE3-CB 4.04Å; W58-A129 HydrophobicContact CH2-CB 4.33Å; W58-A129 HydrophobicContact CZ2-CB 4.39Å; W58-A129 HydrophobicContact CZ3-CB 4.15Å; W58-A132 HydrophobicContact CH2-CB 3.84Å; W58-A132 HydrophobicContact CZ3-CB 3.78Å |
| 59 | S | 80 | Confident | 88.4 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -26.9 | 180 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | T55 | T55-S59 WeakPolarHBondContact O-CB 3.41Å; T55-S59 PolarHBondContact O-N 2.74Å |
| 60 | I | 78.8 | Confident | 88.5 | Confident | 151 Ų | 151 | 56.6 Ų | 56.6 | 77% | 0.774 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -79.7 | -26.7 | 177.9 | -61.8 | 162.2 | 0 | 0 | 0 | 111 | S56 W58 | S56-I60 WeakPolarHBondContact O-CD1 3.46Å; S56-I60 WeakPolarHBondContact O-CG1 3.49Å; W58-I60 PolarHBondContact O-N 3.05Å |
| 61 | H | 84.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -72.8 | 146.4 | 176.9 | -73.8 | -70.8 | 0 | 0 | 0 | 111.6 | Y57 W58 S63 G64 G65 | Y57-H61 AromaticContact CD1-NE2 3.98Å; Y57-H61 AromaticContact CE1-CD2 3.94Å; Y57-H61 AromaticContact CE1-NE2 3.38Å; Y57-H61 WeakPolarHBondContact CE1-NE2 3.46Å; Y57-H61 AromaticContact CE2-NE2 3.94Å; Y57-H61 AromaticContact CZ-NE2 3.35Å; Y57-H61 PolarHBondContact O-CD2 3.21Å; W58-H61 WeakPolarHBondContact O-CB 3.23Å; W58-H61 PolarHBondContact O-N 3.13Å; W58-H61 VanDerWaalsContact O-N 3.09Å; H61-S63 PolarHBondContact O-N 2.88Å; H61-G64 PolarHBondContact O-N 3.31Å; H61-G65 PolarHBondContact O-N 2.89Å; H61-G65 VanDerWaalsContact O-N 3.12Å |
| 62 | S | 87.4 | Confident | 88.9 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 78% | 0.783 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -50 | -35.6 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 113.5 | G65 W66 | S62-G65 PolarHBondContact O-N 3.5Å; S62-W66 PolarHBondContact O-N 3.47Å |
| 63 | S | 90.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.1 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | W58 H61 G65 W66 V67 H122 | W58-S63 PolarHBondContact NE1-OG 3.26Å; H61-S63 PolarHBondContact O-N 2.88Å; S63-G65 VanDerWaalsContact C-N 3.29Å; S63-W66 PolarHBondContact O-N 2.9Å; S63-V67 WeakPolarHBondContact O-CG2 3.08Å; S63-V67 PolarHBondContact O-N 2.84Å; S63-H122 WeakPolarHBondContact CB-CE1 3.41Å; S63-H122 WeakPolarHBondContact CB-ND1 3.37Å; S63-H122 PolarHBondContact OG-CE1 2.95Å; S63-H122 VanDerWaalsContact OG-CE1 3.3Å; S63-H122 PolarHBondContact OG-ND1 2.92Å |
| 64 | G | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | H61 W66 V67 N68 | H61-G64 PolarHBondContact O-N 3.31Å; G64-W66 PolarHBondContact O-N 3.46Å; G64-V67 PolarHBondContact O-N 3.3Å; G64-N68 WeakPolarHBondContact O-CB 3.48Å; G64-N68 PolarHBondContact O-N 3.06Å |
| 65 | G | 92.1 | Very high | 89.8 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H61 S62 S63 N68 F69 | H61-G65 PolarHBondContact O-N 2.89Å; H61-G65 VanDerWaalsContact O-N 3.12Å; S62-G65 PolarHBondContact O-N 3.5Å; S63-G65 VanDerWaalsContact C-N 3.29Å; G65-N68 PolarHBondContact O-N 3.47Å; G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 PolarHBondContact O-N 2.85Å |
| 66 | W | 94.5 | Very high | 90.2 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 30% | 0.303 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175 | 173.8 | -95.9 | 0 | 0 | 0 | 112.3 | S62 S63 G64 N68 F69 V70 I114 T115 | S62-W66 PolarHBondContact O-N 3.47Å; S63-W66 PolarHBondContact O-N 2.9Å; G64-W66 PolarHBondContact O-N 3.46Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 2.56Å; W66-F69 HydrophobicContact CE3-CD1 4.32Å; W66-F69 HydrophobicContact CZ3-CD1 4.25Å; W66-F69 HydrophobicContact CZ3-CE1 4.42Å; W66-F69 WeakPolarHBondContact O-CB 3.02Å; W66-F69 PolarHBondContact O-N 3.41Å; W66-V70 HydrophobicContact CD2-CG2 4.23Å; W66-V70 HydrophobicContact CH2-CG2 4.4Å; W66-V70 HydrophobicContact CZ2-CG2 3.77Å; W66-V70 WeakPolarHBondContact O-CG2 3.2Å; W66-V70 PolarHBondContact O-N 3.38Å; W66-I114 HydrophobicContact CZ2-CB 4.23Å; W66-I114 HydrophobicContact CZ2-CD1 4.4Å; W66-I114 HydrophobicContact CZ2-CG2 3.78Å; W66-T115 PolarHBondContact NE1-OG1 2.82Å |
| 67 | V | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | V48 V52 W58 S63 G64 V70 A71 T115 V118 | V48-V67 HydrophobicContact CG1-CG1 3.54Å; V52-V67 HydrophobicContact CG2-CB 3.95Å; V52-V67 HydrophobicContact CG2-CG1 3.46Å; V52-V67 VanDerWaalsContact CG2-CG1 3.46Å; W58-V67 HydrophobicContact CH2-CB 4.18Å; W58-V67 HydrophobicContact CH2-CG1 4.28Å; W58-V67 HydrophobicContact CH2-CG2 3.75Å; W58-V67 HydrophobicContact CZ2-CG2 3.83Å; S63-V67 WeakPolarHBondContact O-CG2 3.08Å; S63-V67 PolarHBondContact O-N 2.84Å; G64-V67 PolarHBondContact O-N 3.3Å; V67-V70 PolarHBondContact O-N 2.93Å; V67-A71 VanDerWaalsContact O-CB 3.32Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.34Å; V67-T115 HydrophobicContact CB-CG2 4.1Å; V67-T115 HydrophobicContact CG1-CG2 3.69Å; V67-T115 HydrophobicContact CG2-CG2 3.89Å; V67-V118 HydrophobicContact CG2-CG1 4.27Å |
| 68 | N | 94.4 | Very high | 91.5 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.6 | -91.5 | -6.4 | 0 | 0 | 0 | 112.8 | L49 V52 G64 G65 W66 V70 A71 A72 | L49-N68 HydrophobicContact CD2-CB 4.32Å; V52-N68 WeakPolarHBondContact CB-OD1 3.27Å; V52-N68 WeakPolarHBondContact CG1-ND2 3.37Å; V52-N68 WeakPolarHBondContact CG1-OD1 3.49Å; V52-N68 WeakPolarHBondContact CG2-OD1 3.48Å; G64-N68 WeakPolarHBondContact O-CB 3.48Å; G64-N68 PolarHBondContact O-N 3.06Å; G65-N68 PolarHBondContact O-N 3.47Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 2.56Å; N68-V70 PolarHBondContact O-N 3.18Å; N68-A71 PolarHBondContact O-N 2.91Å; N68-A72 VanDerWaalsContact O-CB 3.25Å; N68-A72 WeakPolarHBondContact O-CB 3.41Å; N68-A72 PolarHBondContact O-N 3.47Å |
| 69 | F | 96 | Very high | 92.1 | Very high | 107 Ų | 107 | 45 Ų | 45 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 177.1 | 168.2 | -104.2 | 0 | 0 | 0 | 111.2 | G65 W66 T73 | G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 PolarHBondContact O-N 2.85Å; W66-F69 HydrophobicContact CE3-CD1 4.32Å; W66-F69 HydrophobicContact CZ3-CD1 4.25Å; W66-F69 HydrophobicContact CZ3-CE1 4.42Å; W66-F69 WeakPolarHBondContact O-CB 3.02Å; W66-F69 PolarHBondContact O-N 3.41Å; F69-T73 WeakPolarHBondContact CE2-OG1 3.05Å; F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.36Å; F69-T73 PolarHBondContact O-N 2.97Å; F69-T73 PolarHBondContact O-OG1 3.48Å |
| 70 | V | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | W66 V67 N68 A72 T73 T74 F111 T115 | W66-V70 HydrophobicContact CD2-CG2 4.23Å; W66-V70 HydrophobicContact CH2-CG2 4.4Å; W66-V70 HydrophobicContact CZ2-CG2 3.77Å; W66-V70 WeakPolarHBondContact O-CG2 3.2Å; W66-V70 PolarHBondContact O-N 3.38Å; V67-V70 PolarHBondContact O-N 2.93Å; N68-V70 PolarHBondContact O-N 3.18Å; V70-A72 PolarHBondContact O-N 2.9Å; V70-T73 PolarHBondContact O-N 3.06Å; V70-T74 HydrophobicContact CG1-CG2 4.16Å; V70-T74 WeakPolarHBondContact O-CB 3.39Å; V70-T74 WeakPolarHBondContact O-CG2 3.42Å; V70-T74 PolarHBondContact O-N 2.84Å; V70-T74 PolarHBondContact O-OG1 3.33Å; V70-F111 HydrophobicContact CG1-CB 3.69Å; V70-F111 HydrophobicContact CG2-CB 4.03Å; V70-F111 HydrophobicContact CG2-CD2 4.49Å; V70-F111 HydrophobicContact CG2-CG 4.4Å; V70-T115 WeakPolarHBondContact CB-OG1 3.43Å; V70-T115 WeakPolarHBondContact CG1-OG1 3.49Å; V70-T115 WeakPolarHBondContact CG2-OG1 3.12Å |
| 71 | A | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | S45 V48 L49 V67 N68 T74 L75 W112 | S45-A71 WeakPolarHBondContact CB-O 3.3Å; V48-A71 HydrophobicContact CB-CB 4.21Å; V48-A71 HydrophobicContact CG1-CB 3.92Å; L49-A71 HydrophobicContact CD2-CB 3.75Å; L49-A71 HydrophobicContact CG-CB 3.74Å; V67-A71 VanDerWaalsContact O-CB 3.32Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.34Å; N68-A71 PolarHBondContact O-N 2.91Å; A71-T74 WeakPolarHBondContact CA-OG1 3.37Å; A71-T74 PolarHBondContact O-OG1 3.41Å; A71-T74 VanDerWaalsContact O-OG1 3.04Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.47Å; A71-W112 HydrophobicContact CB-CH2 4.39Å |
| 72 | A | 97.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 38 Ų | 38 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 N68 V70 L75 I76 | L49-A72 HydrophobicContact CD2-CB 4.23Å; N68-A72 VanDerWaalsContact O-CB 3.25Å; N68-A72 WeakPolarHBondContact O-CB 3.41Å; N68-A72 PolarHBondContact O-N 3.47Å; V70-A72 PolarHBondContact O-N 2.9Å; A72-L75 WeakPolarHBondContact O-CB 3.28Å; A72-L75 PolarHBondContact O-N 3.22Å; A72-I76 VanDerWaalsContact O-CG1 3.3Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.46Å |
| 73 | T | 96.3 | Very high | 93 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 179.7 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | F69 V70 L75 I76 C77 | F69-T73 WeakPolarHBondContact CE2-OG1 3.05Å; F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.36Å; F69-T73 PolarHBondContact O-N 2.97Å; F69-T73 PolarHBondContact O-OG1 3.48Å; V70-T73 PolarHBondContact O-N 3.06Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.96Å; T73-I76 PolarHBondContact O-N 3.41Å; T73-C77 PolarHBondContact O-N 3.21Å; T73-C77 PolarHBondContact O-SG 2.93Å |
| 74 | T | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | S45 V70 A71 C77 A78 C108 | S45-T74 PolarHBondContact OG-OG1 3.2Å; S45-T74 VanDerWaalsContact OG-OG1 3.05Å; V70-T74 HydrophobicContact CG1-CG2 4.16Å; V70-T74 WeakPolarHBondContact O-CB 3.39Å; V70-T74 WeakPolarHBondContact O-CG2 3.42Å; V70-T74 PolarHBondContact O-N 2.84Å; V70-T74 PolarHBondContact O-OG1 3.33Å; A71-T74 WeakPolarHBondContact CA-OG1 3.37Å; A71-T74 PolarHBondContact O-OG1 3.41Å; A71-T74 VanDerWaalsContact O-OG1 3.04Å; T74-C77 PolarHBondContact O-N 2.82Å; T74-A78 WeakPolarHBondContact O-CB 3.37Å; T74-A78 PolarHBondContact O-N 3.24Å; T74-C108 HydrophobicContact CG2-CB 4.01Å |
| 75 | L | 96.4 | Very high | 92 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 172.2 | -175 | 159.9 | 0 | 0 | 0 | 111 | C46 L49 A71 A72 T73 A78 A79 | C46-L75 WeakPolarHBondContact SG-CD1 3.47Å; L49-L75 HydrophobicContact CD1-CD1 3.75Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.47Å; A72-L75 WeakPolarHBondContact O-CB 3.28Å; A72-L75 PolarHBondContact O-N 3.22Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 2.96Å; L75-A78 PolarHBondContact O-N 2.88Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 2.83Å |
| 76 | I | 95.2 | Very high | 91.2 | Very high | 106 Ų | 106 | 39 Ų | 39 | 54% | 0.544 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 179.8 | -67.6 | 164.8 | 0 | 0 | 0 | 110 | A72 T73 A78 A79 V80 | A72-I76 VanDerWaalsContact O-CG1 3.3Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.46Å; T73-I76 PolarHBondContact O-N 3.41Å; I76-A78 PolarHBondContact O-N 3.35Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-V80 HydrophobicContact CG2-CG2 4.41Å; I76-V80 VanDerWaalsContact O-CG2 3.3Å; I76-V80 WeakPolarHBondContact O-CG2 3.48Å; I76-V80 PolarHBondContact O-N 3.36Å |
| 77 | C | 93.1 | Very high | 90.3 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 177.4 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | T73 T74 A79 V80 F81 V104 | T73-C77 PolarHBondContact O-N 3.21Å; T73-C77 PolarHBondContact O-SG 2.93Å; T74-C77 PolarHBondContact O-N 2.82Å; C77-A79 PolarHBondContact O-N 3.1Å; C77-V80 PolarHBondContact O-N 3.3Å; C77-F81 WeakPolarHBondContact O-CD2 3.19Å; C77-F81 PolarHBondContact O-N 2.73Å; C77-V104 HydrophobicContact CB-CG1 4.14Å |
| 78 | A | 91.7 | Very high | 89 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q41 I42 T74 L75 I76 Y82 | Q41-A78 HydrophobicContact CB-CB 4.3Å; I42-A78 HydrophobicContact CG1-CB 3.71Å; T74-A78 WeakPolarHBondContact O-CB 3.37Å; T74-A78 PolarHBondContact O-N 3.24Å; L75-A78 PolarHBondContact O-N 2.88Å; I76-A78 PolarHBondContact O-N 3.35Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.49Å |
| 79 | A | 91.3 | Very high | 87.5 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 26% | 0.264 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L75 I76 C77 F81 Y82 I83 | L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 2.83Å; I76-A79 PolarHBondContact O-N 3.36Å; C77-A79 PolarHBondContact O-N 3.1Å; A79-F81 PolarHBondContact O-N 2.9Å; A79-Y82 PolarHBondContact O-N 3.13Å; A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.28Å; A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 3.46Å |
| 80 | V | 90.3 | Very high | 85.9 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.6 | -48 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | I76 C77 Y82 I83 F84 | I76-V80 HydrophobicContact CG2-CG2 4.41Å; I76-V80 VanDerWaalsContact O-CG2 3.3Å; I76-V80 WeakPolarHBondContact O-CG2 3.48Å; I76-V80 PolarHBondContact O-N 3.36Å; C77-V80 PolarHBondContact O-N 3.3Å; V80-Y82 VanDerWaalsContact C-N 3.34Å; V80-Y82 PolarHBondContact O-N 2.85Å; V80-I83 PolarHBondContact O-N 3.5Å; V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE1 4.23Å; V80-F84 HydrophobicContact CG1-CE2 3.63Å; V80-F84 HydrophobicContact CG1-CZ 3.74Å; V80-F84 WeakPolarHBondContact O-CG 3.47Å; V80-F84 PolarHBondContact O-N 3.43Å |
| 81 | F | 86.8 | Confident | 84.1 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 175.8 | -78.5 | -63.9 | 0 | 0 | 0 | 112 | K38 C77 A79 I83 F84 Y85 E101 V104 | K38-F81 HydrophobicContact CD-CB 4.28Å; C77-F81 WeakPolarHBondContact O-CD2 3.19Å; C77-F81 PolarHBondContact O-N 2.73Å; A79-F81 PolarHBondContact O-N 2.9Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.93Å; F81-F84 PolarHBondContact O-N 2.74Å; F81-Y85 HydrophobicContact CB-CD2 4.37Å; F81-Y85 HydrophobicContact CB-CE2 4.32Å; F81-Y85 HydrophobicContact CD1-CE2 4.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.42Å; F81-Y85 PolarHBondContact O-N 2.89Å; F81-E101 HydrophobicContact CE1-CB 4.15Å; F81-E101 HydrophobicContact CZ-CB 4.4Å; F81-V104 HydrophobicContact CE2-CB 3.88Å; F81-V104 HydrophobicContact CE2-CG1 3.75Å; F81-V104 HydrophobicContact CE2-CG2 4.03Å; F81-V104 HydrophobicContact CZ-CB 4.2Å; F81-V104 HydrophobicContact CZ-CG2 4.03Å |
| 82 | Y | 85.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 178.4 | -170.4 | -95.8 | 0 | 0 | 0 | 111.6 | F29 K38 L39 I42 A78 A79 V80 Y85 L86 | F29-Y82 HydrophobicContact CE1-CD2 4.02Å; F29-Y82 HydrophobicContact CE1-CE2 4.07Å; K38-Y82 HydrophobicContact CB-CD2 3.93Å; L39-Y82 HydrophobicContact CB-CE2 4.38Å; I42-Y82 HydrophobicContact CD1-CD2 4.42Å; I42-Y82 HydrophobicContact CD1-CG 4.07Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.49Å; A79-Y82 PolarHBondContact O-N 3.13Å; V80-Y82 VanDerWaalsContact C-N 3.34Å; V80-Y82 PolarHBondContact O-N 2.85Å; Y82-Y85 PolarHBondContact O-N 3.28Å; Y82-L86 HydrophobicContact CD1-CD1 4.34Å; Y82-L86 HydrophobicContact CE1-CD1 3.77Å; Y82-L86 VanDerWaalsContact O-CB 3.23Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 3.3Å |
| 83 | I | 85.7 | Confident | 80.8 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.3 | -68.1 | -59.8 | 0 | 0 | 0 | 111.5 | A79 V80 F81 Y85 L86 F87 | A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.28Å; A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 3.46Å; V80-I83 PolarHBondContact O-N 3.5Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.93Å; I83-Y85 VanDerWaalsContact C-N 3.28Å; I83-Y85 PolarHBondContact O-N 3.24Å; I83-L86 PolarHBondContact O-N 2.94Å; I83-F87 HydrophobicContact CD1-CE2 4.49Å; I83-F87 HydrophobicContact CG2-CD2 3.72Å; I83-F87 HydrophobicContact CG2-CE2 3.83Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 2.64Å; I83-F87 VanDerWaalsContact O-N 3.1Å |
| 84 | F | 81.9 | Confident | 79.3 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 176.2 | -72.7 | -8 | 0 | 0 | 0 | 112.6 | V80 F81 N88 L89 W97 | V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE1 4.23Å; V80-F84 HydrophobicContact CG1-CE2 3.63Å; V80-F84 HydrophobicContact CG1-CZ 3.74Å; V80-F84 WeakPolarHBondContact O-CG 3.47Å; V80-F84 PolarHBondContact O-N 3.43Å; F81-F84 PolarHBondContact O-N 2.74Å; F84-N88 PolarHBondContact O-N 2.9Å; F84-L89 HydrophobicContact CD1-CD2 3.83Å; F84-L89 HydrophobicContact CE1-CD2 3.94Å; F84-L89 PolarHBondContact O-N 2.64Å; F84-W97 HydrophobicContact CD2-CZ3 4.29Å; F84-W97 HydrophobicContact CE2-CH2 4.31Å; F84-W97 HydrophobicContact CE2-CZ3 4.22Å |
| 85 | Y | 78 | Confident | 77.9 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -78.1 | -37 | 177.3 | -74 | -57.4 | 0 | 0 | 0 | 113.5 | F29 K38 F81 Y82 I83 F87 N88 I90 E101 V167 | F29-Y85 VanDerWaalsContact CE1-CB 3.47Å; F29-Y85 HydrophobicContact CE1-CG 4.43Å; F29-Y85 HydrophobicContact CE2-CG 4.02Å; F29-Y85 HydrophobicContact CZ-CD2 4.07Å; F29-Y85 AromaticContact CZ-CG 3.82Å; F29-Y85 HydrophobicContact CZ-CG 3.82Å; K38-Y85 HydrophobicContact CD-CD2 4.2Å; F81-Y85 HydrophobicContact CB-CD2 4.37Å; F81-Y85 HydrophobicContact CB-CE2 4.32Å; F81-Y85 HydrophobicContact CD1-CE2 4.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.42Å; F81-Y85 PolarHBondContact O-N 2.89Å; Y82-Y85 PolarHBondContact O-N 3.28Å; I83-Y85 VanDerWaalsContact C-N 3.28Å; I83-Y85 PolarHBondContact O-N 3.24Å; Y85-F87 PolarHBondContact O-N 2.67Å; Y85-N88 PolarHBondContact O-N 2.95Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; Y85-I90 HydrophobicContact CE1-CB 4.49Å; Y85-I90 HydrophobicContact CE1-CD1 4.43Å; Y85-I90 HydrophobicContact CE1-CG1 4.3Å; Y85-E101 WeakPolarHBondContact CE2-OE1 3.33Å; Y85-E101 VanDerWaalsContact OH-CD 3.25Å; Y85-E101 PolarHBondContact OH-OE2 2.89Å; Y85-V167 HydrophobicContact CD1-CG2 4.14Å; Y85-V167 HydrophobicContact CE1-CG2 4.46Å |
| 86 | L | 76 | Confident | 77.1 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 178.1 | -172.9 | 160 | 0 | 0 | 0 | 111.3 | I25 N26 Y82 I83 N88 | I25-L86 HydrophobicContact CB-CD2 4.17Å; I25-L86 HydrophobicContact CG1-CD2 3.94Å; I25-L86 HydrophobicContact CG2-CD2 3.66Å; I25-L86 HydrophobicContact CG2-CG 4.26Å; N26-L86 PolarHBondContact N-O 2.67Å; Y82-L86 HydrophobicContact CD1-CD1 4.34Å; Y82-L86 HydrophobicContact CE1-CD1 3.77Å; Y82-L86 VanDerWaalsContact O-CB 3.23Å; Y82-L86 WeakPolarHBondContact O-CB 3.46Å; Y82-L86 PolarHBondContact O-N 3.3Å; I83-L86 PolarHBondContact O-N 2.94Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.33Å |
| 87 | F | 74.9 | Confident | 76.2 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 3.2 | 176.8 | -65.8 | -57.8 | 0 | 0 | 0 | 113.9 | V24 I25 I83 Y85 L89 | V24-F87 HydrophobicContact CG1-CD1 4.11Å; V24-F87 HydrophobicContact CG1-CE1 4.32Å; V24-F87 WeakPolarHBondContact O-CD1 3.41Å; I25-F87 HydrophobicContact CG1-CD1 4.37Å; I25-F87 HydrophobicContact CG1-CE1 3.94Å; I83-F87 HydrophobicContact CD1-CE2 4.49Å; I83-F87 HydrophobicContact CG2-CD2 3.72Å; I83-F87 HydrophobicContact CG2-CE2 3.83Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 2.64Å; I83-F87 VanDerWaalsContact O-N 3.1Å; Y85-F87 PolarHBondContact O-N 2.67Å; F87-L89 HydrophobicContact CB-CB 4.5Å; F87-L89 PolarHBondContact O-N 3.5Å |
| 88 | N | 68.4 | Low | 75.3 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 17% | 0.171 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 31 | -175.4 | -157.1 | -0.1 | 0 | 0 | 0 | 112.6 | F84 Y85 L86 I90 R91 | F84-N88 PolarHBondContact O-N 2.9Å; Y85-N88 PolarHBondContact O-N 2.95Å; Y85-N88 VanDerWaalsContact O-N 3.13Å; L86-N88 VanDerWaalsContact C-N 3.27Å; L86-N88 PolarHBondContact O-N 3.33Å; N88-I90 PolarHBondContact O-N 2.88Å; N88-R91 VanDerWaalsContact CG-NE 3.34Å; N88-R91 PolarHBondContact ND2-NE 3.01Å; N88-R91 PolarHBondContact O-N 3.24Å; N88-R91 WeakPolarHBondContact OD1-CG 3.46Å |
| 89 | L | 62.4 | Low | 74.6 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -66.5 | -21.7 | -175.9 | -171.2 | 62.8 | 0 | 0 | 0 | 110.6 | F84 F87 R91 K92 L93 | F84-L89 HydrophobicContact CD1-CD2 3.83Å; F84-L89 HydrophobicContact CE1-CD2 3.94Å; F84-L89 PolarHBondContact O-N 2.64Å; F87-L89 HydrophobicContact CB-CB 4.5Å; F87-L89 PolarHBondContact O-N 3.5Å; L89-R91 PolarHBondContact O-N 2.87Å; L89-R91 VanDerWaalsContact O-N 3.13Å; L89-K92 HydrophobicContact CD1-CB 4.23Å; L89-K92 HydrophobicContact CD1-CG 4.37Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 3.39Å; L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD2-CD1 4.27Å; L89-L93 HydrophobicContact CG-CD1 3.66Å; L89-L93 WeakPolarHBondContact O-CD1 3.28Å |
| 90 | I | 61.8 | Low | 74.4 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -53 | -33.4 | 175.6 | -147.3 | 74.7 | 0 | 0 | 0 | 112.8 | Y85 N88 K92 L93 W97 | Y85-I90 HydrophobicContact CE1-CB 4.49Å; Y85-I90 HydrophobicContact CE1-CD1 4.43Å; Y85-I90 HydrophobicContact CE1-CG1 4.3Å; N88-I90 PolarHBondContact O-N 2.88Å; I90-K92 PolarHBondContact O-N 3.36Å; I90-L93 PolarHBondContact O-N 3.41Å; I90-W97 HydrophobicContact CD1-CB 3.72Å; I90-W97 HydrophobicContact CD1-CD2 3.23Å; I90-W97 HydrophobicContact CD1-CE3 3.45Å; I90-W97 VanDerWaalsContact CD1-CE3 3.45Å; I90-W97 HydrophobicContact CD1-CG 3.32Å; I90-W97 HydrophobicContact CD1-CZ3 4.24Å; I90-W97 HydrophobicContact CG1-CB 3.94Å; I90-W97 HydrophobicContact CG1-CD2 4.1Å; I90-W97 HydrophobicContact CG1-CG 3.69Å |
| 91 | R | 59.7 | Low | 74.1 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -66.8 | -23.3 | 176.9 | -70.4 | -170.4 | -61.3 | 160.7 | -9.1 | 113.3 | E17 N88 L89 | E17-R91 IonicContact OE1-CZ 3.55Å; E17-R91 IonicContact OE1-NH1 3.7Å; E17-R91 PolarHBondContact OE1-NH1 3.37Å; E17-R91 IonicContact OE1-NH2 3.17Å; E17-R91 IonicContact OE2-NH1 3.18Å; E17-R91 PolarHBondContact OE2-NH1 3.44Å; N88-R91 VanDerWaalsContact CG-NE 3.34Å; N88-R91 PolarHBondContact ND2-NE 3.01Å; N88-R91 PolarHBondContact O-N 3.24Å; N88-R91 WeakPolarHBondContact OD1-CG 3.46Å; L89-R91 PolarHBondContact O-N 2.87Å; L89-R91 VanDerWaalsContact O-N 3.13Å |
| 92 | K | 62.1 | Low | 74 | Confident | 169 Ų | 169 | 66.2 Ų | 66.2 | 74% | 0.735 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -90.8 | -17.6 | -175.1 | -64.4 | -68.7 | -175.2 | -179.7 | 0 | 112.8 | L89 I90 | L89-K92 HydrophobicContact CD1-CB 4.23Å; L89-K92 HydrophobicContact CD1-CG 4.37Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 3.39Å; I90-K92 PolarHBondContact O-N 3.36Å |
| 93 | L | 63.4 | Low | 74.1 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -105.3 | 125 | -176.3 | -72.2 | 84.4 | 0 | 0 | 0 | 111.1 | L89 I90 G95 W97 | L89-L93 HydrophobicContact CD1-CD1 4.19Å; L89-L93 HydrophobicContact CD2-CD1 4.27Å; L89-L93 HydrophobicContact CG-CD1 3.66Å; L89-L93 WeakPolarHBondContact O-CD1 3.28Å; I90-L93 PolarHBondContact O-N 3.41Å; L93-G95 PolarHBondContact O-N 2.95Å; L93-W97 HydrophobicContact CB-CH2 4.46Å; L93-W97 HydrophobicContact CB-CZ2 3.32Å; L93-W97 HydrophobicContact CD2-CH2 3.79Å; L93-W97 HydrophobicContact CD2-CZ2 3.4Å; L93-W97 HydrophobicContact CG-CZ2 3.91Å; L93-W97 PolarHBondContact O-NE1 2.68Å |
| 94 | P | 64.9 | Low | 74.4 | Confident | 133 Ų | 133 | 64.9 Ų | 64.9 | 86% | 0.864 | 34% | 0.339 | S | S | * | . | trans | -70.6 | 125.1 | 172.2 | 29.4 | -32.5 | 0 | 0 | 0 | 109.7 | ||||
| 95 | G | 67.3 | Low | 74.9 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 167.7 | 160.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L93 W97 | L93-G95 PolarHBondContact O-N 2.95Å; G95-W97 VanDerWaalsContact O-CD1 3.25Å; G95-W97 PolarHBondContact O-N 3.16Å |
| 96 | P | 78.9 | Confident | 75.6 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 51% | 0.506 | 35% | 0.346 | S | S | . | . | trans | -75.6 | 61.2 | 172.5 | 34.5 | -36.2 | 0 | 0 | 0 | 110.2 | I98 I99 I100 | P96-I98 PolarHBondContact O-N 2.87Å; P96-I99 HydrophobicContact CB-CB 4.25Å; P96-I99 HydrophobicContact CB-CD1 3.86Å; P96-I99 HydrophobicContact CB-CG1 4.04Å; P96-I99 PolarHBondContact O-N 3.4Å; P96-I100 PolarHBondContact O-N 3.22Å | ||
| 97 | W | 75.3 | Confident | 76.6 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -51.4 | -34.9 | -175.9 | -76.4 | 105.8 | 0 | 0 | 0 | 113.4 | F84 I90 L93 G95 I100 E101 | F84-W97 HydrophobicContact CD2-CZ3 4.29Å; F84-W97 HydrophobicContact CE2-CH2 4.31Å; F84-W97 HydrophobicContact CE2-CZ3 4.22Å; I90-W97 HydrophobicContact CD1-CB 3.72Å; I90-W97 HydrophobicContact CD1-CD2 3.23Å; I90-W97 HydrophobicContact CD1-CE3 3.45Å; I90-W97 VanDerWaalsContact CD1-CE3 3.45Å; I90-W97 HydrophobicContact CD1-CG 3.32Å; I90-W97 HydrophobicContact CD1-CZ3 4.24Å; I90-W97 HydrophobicContact CG1-CB 3.94Å; I90-W97 HydrophobicContact CG1-CD2 4.1Å; I90-W97 HydrophobicContact CG1-CG 3.69Å; L93-W97 HydrophobicContact CB-CH2 4.46Å; L93-W97 HydrophobicContact CB-CZ2 3.32Å; L93-W97 HydrophobicContact CD2-CH2 3.79Å; L93-W97 HydrophobicContact CD2-CZ2 3.4Å; L93-W97 HydrophobicContact CG-CZ2 3.91Å; L93-W97 PolarHBondContact O-NE1 2.68Å; G95-W97 VanDerWaalsContact O-CD1 3.25Å; G95-W97 PolarHBondContact O-N 3.16Å; W97-I100 PolarHBondContact O-N 3Å; W97-E101 WeakPolarHBondContact O-CB 3.37Å; W97-E101 PolarHBondContact O-N 3.36Å |
| 98 | I | 74.7 | Confident | 77.5 | Confident | 53 Ų | 53 | 64 Ų | 64 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.3 | -171.1 | 57 | 0 | 0 | 0 | 113 | P96 F102 M164 | P96-I98 PolarHBondContact O-N 2.87Å; I98-F102 WeakPolarHBondContact O-CB 3.19Å; I98-F102 PolarHBondContact O-N 3.27Å; I98-M164 HydrophobicContact CD1-CB 4.47Å; I98-M164 HydrophobicContact CD1-SD 3.83Å; I98-M164 HydrophobicContact CG1-CB 4.34Å; I98-M164 HydrophobicContact CG1-CG 4.18Å; I98-M164 HydrophobicContact CG1-SD 3.27Å; I98-M164 WeakPolarHBondContact CG1-SD 3.37Å |
| 99 | I | 78.2 | Confident | 78.9 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71 | -41.3 | 178.2 | -55.4 | -177.7 | 0 | 0 | 0 | 109.5 | P96 F102 S103 | P96-I99 HydrophobicContact CB-CB 4.25Å; P96-I99 HydrophobicContact CB-CD1 3.86Å; P96-I99 HydrophobicContact CB-CG1 4.04Å; P96-I99 PolarHBondContact O-N 3.4Å; I99-F102 PolarHBondContact O-N 3.27Å; I99-S103 WeakPolarHBondContact O-CB 3.44Å; I99-S103 PolarHBondContact O-N 3.02Å; I99-S103 PolarHBondContact O-OG 3.45Å |
| 100 | I | 85.6 | Confident | 80.5 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 35% | 0.354 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 176.5 | -62.5 | 171.6 | 0 | 0 | 0 | 109.7 | P96 W97 F102 S103 V104 | P96-I100 PolarHBondContact O-N 3.22Å; W97-I100 PolarHBondContact O-N 3Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-S103 PolarHBondContact O-OG 3.33Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.47Å |
| 101 | E | 84.1 | Confident | 82.2 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 179.3 | 177.5 | 169.3 | -143.7 | 0 | 0 | 112 | K38 F81 Y85 W97 V104 L105 R150 | K38-E101 WeakPolarHBondContact CE-OE1 3.45Å; K38-E101 IonicContact NZ-OE1 3.83Å; K38-E101 PolarHBondContact NZ-OE1 2.78Å; F81-E101 HydrophobicContact CE1-CB 4.15Å; F81-E101 HydrophobicContact CZ-CB 4.4Å; Y85-E101 WeakPolarHBondContact CE2-OE1 3.33Å; Y85-E101 VanDerWaalsContact OH-CD 3.25Å; Y85-E101 PolarHBondContact OH-OE2 2.89Å; W97-E101 WeakPolarHBondContact O-CB 3.37Å; W97-E101 PolarHBondContact O-N 3.36Å; E101-V104 PolarHBondContact O-N 3.37Å; E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.03Å; E101-R150 IonicContact OE1-CZ 3.05Å; E101-R150 IonicContact OE1-NE 3.06Å; E101-R150 IonicContact OE1-NH1 3.05Å; E101-R150 PolarHBondContact OE1-NH1 3.3Å; E101-R150 IonicContact OE1-NH2 2.83Å; E101-R150 PolarHBondContact OE1-NH2 3.39Å; E101-R150 IonicContact OE2-CZ 3.97Å; E101-R150 IonicContact OE2-NE 3.79Å; E101-R150 PolarHBondContact OE2-NE 2.82Å; E101-R150 IonicContact OE2-NH1 3.48Å; E101-R150 IonicContact OE2-NH2 2.74Å |
| 102 | F | 84.6 | Confident | 84 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.268 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.3 | 171.8 | -114 | 0 | 0 | 0 | 112 | I98 I99 I100 V104 L105 L106 L147 F151 | I98-F102 WeakPolarHBondContact O-CB 3.19Å; I98-F102 PolarHBondContact O-N 3.27Å; I99-F102 PolarHBondContact O-N 3.27Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 2.82Å; F102-L105 PolarHBondContact O-N 3Å; F102-L106 HydrophobicContact CE1-CD1 4.15Å; F102-L106 HydrophobicContact CZ-CD1 3.88Å; F102-L106 WeakPolarHBondContact O-CB 3.46Å; F102-L106 PolarHBondContact O-N 3.47Å; F102-L147 HydrophobicContact CD2-CD1 3.46Å; F102-L147 VanDerWaalsContact CD2-CD1 3.46Å; F102-L147 HydrophobicContact CE2-CD1 3.47Å; F102-L147 VanDerWaalsContact CE2-CD1 3.47Å; F102-L147 HydrophobicContact CE2-CG 4.29Å; F102-F151 HydrophobicContact CB-CE2 3.76Å; F102-F151 HydrophobicContact CB-CZ 3.75Å; F102-F151 HydrophobicContact CD1-CE2 4.44Å; F102-F151 AromaticContact CD1-CZ 3.99Å; F102-F151 HydrophobicContact CD1-CZ 3.99Å; F102-F151 AromaticContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CE1 4.27Å; F102-F151 AromaticContact CD2-CE2 2.91Å; F102-F151 HydrophobicContact CD2-CE2 2.91Å; F102-F151 AromaticContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CE1-CZ 4.38Å; F102-F151 AromaticContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CE1 4.26Å; F102-F151 AromaticContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CE2 3.45Å; F102-F151 VanDerWaalsContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CG 4.4Å; F102-F151 AromaticContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CG-CE1 4.46Å; F102-F151 AromaticContact CG-CE2 3.46Å; F102-F151 HydrophobicContact CG-CE2 3.46Å; F102-F151 VanDerWaalsContact CG-CE2 3.46Å; F102-F151 AromaticContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CZ-CE2 4.41Å; F102-F151 HydrophobicContact CZ-CZ 4.23Å |
| 103 | S | 88.6 | Confident | 85.7 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 179.8 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | I99 I100 L106 I107 | I99-S103 WeakPolarHBondContact O-CB 3.44Å; I99-S103 PolarHBondContact O-N 3.02Å; I99-S103 PolarHBondContact O-OG 3.45Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-S103 PolarHBondContact O-OG 3.33Å; S103-L106 PolarHBondContact O-N 2.88Å; S103-I107 WeakPolarHBondContact O-CB 3.48Å; S103-I107 WeakPolarHBondContact O-CD1 3.19Å; S103-I107 WeakPolarHBondContact O-CG1 3.47Å; S103-I107 PolarHBondContact O-N 3.19Å |
| 104 | V | 91.5 | Very high | 87.3 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | C77 F81 I100 E101 F102 L106 I107 C108 | C77-V104 HydrophobicContact CB-CG1 4.14Å; F81-V104 HydrophobicContact CE2-CB 3.88Å; F81-V104 HydrophobicContact CE2-CG1 3.75Å; F81-V104 HydrophobicContact CE2-CG2 4.03Å; F81-V104 HydrophobicContact CZ-CB 4.2Å; F81-V104 HydrophobicContact CZ-CG2 4.03Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.47Å; E101-V104 PolarHBondContact O-N 3.37Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 2.82Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.36Å; V104-I107 PolarHBondContact O-N 2.84Å; V104-C108 VanDerWaalsContact O-CB 3.3Å; V104-C108 WeakPolarHBondContact O-CB 3.49Å; V104-C108 PolarHBondContact O-N 3.23Å; V104-C108 PolarHBondContact O-SG 3.48Å |
| 105 | L | 91.9 | Very high | 88.8 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.8 | -83.1 | -169.9 | 0 | 0 | 0 | 112.5 | E101 F102 C108 T109 Y143 E146 L147 | E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.03Å; F102-L105 PolarHBondContact O-N 3Å; L105-C108 PolarHBondContact O-N 3.38Å; L105-T109 WeakPolarHBondContact O-CB 3.35Å; L105-T109 PolarHBondContact O-N 3.39Å; L105-T109 PolarHBondContact O-OG1 2.83Å; L105-Y143 HydrophobicContact CD2-CD1 3.71Å; L105-Y143 HydrophobicContact CD2-CE1 3.72Å; L105-E146 HydrophobicContact CD1-CB 4.27Å; L105-E146 HydrophobicContact CD1-CG 3.9Å; L105-L147 HydrophobicContact CB-CD1 4.06Å; L105-L147 HydrophobicContact CD1-CD1 4.34Å |
| 106 | L | 93.2 | Very high | 90.2 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 179.2 | -172 | 160.9 | 0 | 0 | 0 | 110.5 | F102 S103 V104 T109 F110 | F102-L106 HydrophobicContact CE1-CD1 4.15Å; F102-L106 HydrophobicContact CZ-CD1 3.88Å; F102-L106 WeakPolarHBondContact O-CB 3.46Å; F102-L106 PolarHBondContact O-N 3.47Å; S103-L106 PolarHBondContact O-N 2.88Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.36Å; L106-T109 WeakPolarHBondContact O-CB 3.5Å; L106-T109 PolarHBondContact O-N 2.84Å; L106-F110 PolarHBondContact O-N 3.19Å |
| 107 | I | 96.2 | Very high | 91 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 42% | 0.415 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 178.1 | -65.9 | 163.2 | 0 | 0 | 0 | 110.7 | S103 V104 T109 F110 F111 | S103-I107 WeakPolarHBondContact O-CB 3.48Å; S103-I107 WeakPolarHBondContact O-CD1 3.19Å; S103-I107 WeakPolarHBondContact O-CG1 3.47Å; S103-I107 PolarHBondContact O-N 3.19Å; V104-I107 PolarHBondContact O-N 2.84Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.49Å; I107-F110 PolarHBondContact O-N 3.5Å; I107-F111 HydrophobicContact CG2-CD1 4.47Å; I107-F111 HydrophobicContact CG2-CD2 4.34Å; I107-F111 HydrophobicContact CG2-CE1 4.1Å; I107-F111 HydrophobicContact CG2-CE2 3.96Å; I107-F111 HydrophobicContact CG2-CZ 3.83Å; I107-F111 WeakPolarHBondContact O-CG 3.45Å; I107-F111 PolarHBondContact O-N 3.45Å |
| 108 | C | 95.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 112 | T74 V104 L105 F110 F111 W112 Y143 | T74-C108 HydrophobicContact CG2-CB 4.01Å; V104-C108 VanDerWaalsContact O-CB 3.3Å; V104-C108 WeakPolarHBondContact O-CB 3.49Å; V104-C108 PolarHBondContact O-N 3.23Å; V104-C108 PolarHBondContact O-SG 3.48Å; L105-C108 PolarHBondContact O-N 3.38Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 2.98Å; C108-F111 PolarHBondContact O-N 2.83Å; C108-W112 PolarHBondContact O-N 3.46Å; C108-Y143 HydrophobicContact CB-CD1 3.78Å; C108-Y143 HydrophobicContact CB-CE1 3.27Å |
| 109 | T | 96 | Very high | 92.7 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | L105 L106 I107 F111 W112 F113 L140 I144 | L105-T109 WeakPolarHBondContact O-CB 3.35Å; L105-T109 PolarHBondContact O-N 3.39Å; L105-T109 PolarHBondContact O-OG1 2.83Å; L106-T109 WeakPolarHBondContact O-CB 3.5Å; L106-T109 PolarHBondContact O-N 2.84Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.49Å; T109-F111 VanDerWaalsContact C-N 3.35Å; T109-F111 PolarHBondContact O-N 3.03Å; T109-W112 PolarHBondContact O-N 2.92Å; T109-F113 PolarHBondContact O-N 3.37Å; T109-L140 HydrophobicContact CG2-CD1 3.77Å; T109-L140 WeakPolarHBondContact O-CD1 3.49Å; T109-I144 HydrophobicContact CG2-CG1 3.8Å |
| 110 | F | 96.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 177.5 | -174.5 | -109.4 | 0 | 0 | 0 | 112.1 | L106 I107 C108 F113 I114 | L106-F110 PolarHBondContact O-N 3.19Å; I107-F110 PolarHBondContact O-N 3.5Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 2.98Å; F110-F113 WeakPolarHBondContact O-CB 3.43Å; F110-F113 PolarHBondContact O-N 2.97Å; F110-I114 HydrophobicContact CD1-CD1 3.83Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.76Å; F110-I114 HydrophobicContact CZ-CG1 4.35Å; F110-I114 WeakPolarHBondContact O-CG1 3.22Å; F110-I114 PolarHBondContact O-N 2.89Å |
| 111 | F | 97.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 174.5 | -72.9 | -2 | 0 | 0 | 0 | 112.3 | V70 I107 C108 T109 F113 I114 T115 | V70-F111 HydrophobicContact CG1-CB 3.69Å; V70-F111 HydrophobicContact CG2-CB 4.03Å; V70-F111 HydrophobicContact CG2-CD2 4.49Å; V70-F111 HydrophobicContact CG2-CG 4.4Å; I107-F111 HydrophobicContact CG2-CD1 4.47Å; I107-F111 HydrophobicContact CG2-CD2 4.34Å; I107-F111 HydrophobicContact CG2-CE1 4.1Å; I107-F111 HydrophobicContact CG2-CE2 3.96Å; I107-F111 HydrophobicContact CG2-CZ 3.83Å; I107-F111 WeakPolarHBondContact O-CG 3.45Å; I107-F111 PolarHBondContact O-N 3.45Å; C108-F111 PolarHBondContact O-N 2.83Å; T109-F111 VanDerWaalsContact C-N 3.35Å; T109-F111 PolarHBondContact O-N 3.03Å; F111-F113 VanDerWaalsContact C-N 3.3Å; F111-F113 PolarHBondContact O-N 3.26Å; F111-I114 PolarHBondContact O-N 3.3Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 3.22Å; F111-T115 PolarHBondContact O-OG1 3.28Å |
| 112 | W | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 174.4 | -82.6 | 117.4 | 0 | 0 | 0 | 112.8 | V48 A71 C108 T109 T115 L116 S136 A139 L140 Y143 | V48-W112 HydrophobicContact CB-CH2 4.04Å; V48-W112 HydrophobicContact CB-CZ3 4.33Å; V48-W112 HydrophobicContact CG1-CH2 4.22Å; V48-W112 HydrophobicContact CG1-CZ3 4.16Å; V48-W112 HydrophobicContact CG2-CH2 3.81Å; V48-W112 HydrophobicContact CG2-CZ3 3.88Å; A71-W112 HydrophobicContact CB-CH2 4.39Å; C108-W112 PolarHBondContact O-N 3.46Å; T109-W112 PolarHBondContact O-N 2.92Å; W112-T115 HydrophobicContact CE3-CG2 4.19Å; W112-T115 HydrophobicContact CZ3-CG2 4.21Å; W112-T115 PolarHBondContact O-N 3.48Å; W112-L116 WeakPolarHBondContact O-CB 3.29Å; W112-L116 PolarHBondContact O-N 2.91Å; W112-S136 WeakPolarHBondContact CZ3-OG 3.35Å; W112-A139 HydrophobicContact CD2-CB 3.61Å; W112-A139 HydrophobicContact CE3-CB 3.7Å; W112-A139 HydrophobicContact CG-CB 4.23Å; W112-A139 HydrophobicContact CH2-CB 3.92Å; W112-A139 HydrophobicContact CZ2-CB 3.82Å; W112-A139 HydrophobicContact CZ3-CB 3.87Å; W112-L140 HydrophobicContact CB-CB 4.22Å; W112-L140 HydrophobicContact CB-CD1 4.17Å; W112-Y143 AromaticContact CD1-CD2 3.41Å; W112-Y143 VanDerWaalsContact CD1-CD2 3.41Å; W112-Y143 AromaticContact CD1-CE2 3.45Å; W112-Y143 VanDerWaalsContact CD1-CE2 3.45Å; W112-Y143 AromaticContact CD1-CG 3.94Å; W112-Y143 HydrophobicContact CG-CD2 4.41Å; W112-Y143 AromaticContact NE1-CD2 3.51Å; W112-Y143 AromaticContact NE1-CE2 3.06Å; W112-Y143 AromaticContact NE1-CZ 3.66Å |
| 113 | F | 97.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 45% | 0.447 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 175.7 | -178.1 | -115 | 0 | 0 | 0 | 112 | T109 F110 F111 T115 L116 I117 L140 | T109-F113 PolarHBondContact O-N 3.37Å; F110-F113 WeakPolarHBondContact O-CB 3.43Å; F110-F113 PolarHBondContact O-N 2.97Å; F111-F113 VanDerWaalsContact C-N 3.3Å; F111-F113 PolarHBondContact O-N 3.26Å; F113-T115 VanDerWaalsContact C-N 3.34Å; F113-T115 PolarHBondContact O-N 3.41Å; F113-L116 WeakPolarHBondContact O-CB 3.5Å; F113-L116 PolarHBondContact O-N 3.34Å; F113-I117 HydrophobicContact CD1-CD1 4.03Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CZ-CD1 3.75Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.82Å; F113-I117 VanDerWaalsContact O-N 3.15Å; F113-L140 HydrophobicContact CB-CD1 3.95Å; F113-L140 HydrophobicContact CB-CD2 4.33Å; F113-L140 HydrophobicContact CD2-CD2 3.82Å |
| 114 | I | 97.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.8 | -64.6 | 171.6 | 0 | 0 | 0 | 110.4 | W66 F110 F111 L116 I117 V118 | W66-I114 HydrophobicContact CZ2-CB 4.23Å; W66-I114 HydrophobicContact CZ2-CD1 4.4Å; W66-I114 HydrophobicContact CZ2-CG2 3.78Å; F110-I114 HydrophobicContact CD1-CD1 3.83Å; F110-I114 HydrophobicContact CE1-CD1 3.36Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.76Å; F110-I114 HydrophobicContact CZ-CG1 4.35Å; F110-I114 WeakPolarHBondContact O-CG1 3.22Å; F110-I114 PolarHBondContact O-N 2.89Å; F111-I114 PolarHBondContact O-N 3.3Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.38Å; I114-I117 PolarHBondContact O-N 3.3Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I114-V118 HydrophobicContact CG2-CG2 4.03Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.5Å |
| 115 | T | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 178.4 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | W66 V67 V70 F111 W112 F113 V118 A119 S136 | W66-T115 PolarHBondContact NE1-OG1 2.82Å; V67-T115 HydrophobicContact CB-CG2 4.1Å; V67-T115 HydrophobicContact CG1-CG2 3.69Å; V67-T115 HydrophobicContact CG2-CG2 3.89Å; V70-T115 WeakPolarHBondContact CB-OG1 3.43Å; V70-T115 WeakPolarHBondContact CG1-OG1 3.49Å; V70-T115 WeakPolarHBondContact CG2-OG1 3.12Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 3.22Å; F111-T115 PolarHBondContact O-OG1 3.28Å; W112-T115 HydrophobicContact CE3-CG2 4.19Å; W112-T115 HydrophobicContact CZ3-CG2 4.21Å; W112-T115 PolarHBondContact O-N 3.48Å; F113-T115 VanDerWaalsContact C-N 3.34Å; F113-T115 PolarHBondContact O-N 3.41Å; T115-V118 PolarHBondContact O-N 3.43Å; T115-A119 VanDerWaalsContact O-CB 3.26Å; T115-A119 WeakPolarHBondContact O-CB 3.22Å; T115-A119 PolarHBondContact O-N 3.34Å; T115-S136 WeakPolarHBondContact CG2-OG 3.28Å |
| 116 | L | 96.6 | Very high | 91.6 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.2 | -52.3 | 172.2 | -177 | 176.1 | 0 | 0 | 0 | 110.3 | W112 F113 I114 V118 A119 A120 A137 L140 | W112-L116 WeakPolarHBondContact O-CB 3.29Å; W112-L116 PolarHBondContact O-N 2.91Å; F113-L116 WeakPolarHBondContact O-CB 3.5Å; F113-L116 PolarHBondContact O-N 3.34Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.38Å; L116-V118 PolarHBondContact O-N 3.45Å; L116-A119 PolarHBondContact O-N 2.94Å; L116-A120 HydrophobicContact CD2-CB 4.39Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 3.34Å; L116-A137 HydrophobicContact CD1-CB 3.77Å; L116-A137 HydrophobicContact CG-CB 4.26Å; L116-L140 HydrophobicContact CD1-CD2 3.82Å |
| 117 | I | 95.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | -178.8 | -65.3 | 167.6 | 0 | 0 | 0 | 110.8 | F113 I114 A120 A121 | F113-I117 HydrophobicContact CD1-CD1 4.03Å; F113-I117 HydrophobicContact CE1-CD1 3.62Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CZ-CD1 3.75Å; F113-I117 WeakPolarHBondContact O-CG1 3.45Å; F113-I117 PolarHBondContact O-N 2.82Å; F113-I117 VanDerWaalsContact O-N 3.15Å; I114-I117 PolarHBondContact O-N 3.3Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I117-A120 PolarHBondContact O-N 3.14Å; I117-A121 VanDerWaalsContact O-CB 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 2.93Å |
| 118 | V | 94.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | -179.9 | 171 | 0 | 0 | 0 | 0 | 111.3 | V67 I114 T115 L116 H122 | V67-V118 HydrophobicContact CG2-CG1 4.27Å; I114-V118 HydrophobicContact CG2-CG2 4.03Å; I114-V118 VanDerWaalsContact O-CG2 3.32Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.5Å; T115-V118 PolarHBondContact O-N 3.43Å; L116-V118 PolarHBondContact O-N 3.45Å; V118-H122 PolarHBondContact O-N 3.38Å |
| 119 | A | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W58 T115 L116 H122 H123 A132 A133 | W58-A119 HydrophobicContact CH2-CB 4.2Å; W58-A119 HydrophobicContact CZ2-CB 4.46Å; T115-A119 VanDerWaalsContact O-CB 3.26Å; T115-A119 WeakPolarHBondContact O-CB 3.22Å; T115-A119 PolarHBondContact O-N 3.34Å; L116-A119 PolarHBondContact O-N 2.94Å; A119-H122 CarbonylContact O-C 3.58Å; A119-H122 PolarHBondContact O-N 3.02Å; A119-H123 PolarHBondContact O-N 3.36Å; A119-A132 HydrophobicContact CB-CB 4.42Å; A119-A133 HydrophobicContact CB-CB 3.71Å |
| 120 | A | 92.7 | Very high | 90.3 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 I117 H122 H123 A133 | L116-A120 HydrophobicContact CD2-CB 4.39Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 3.34Å; I117-A120 PolarHBondContact O-N 3.14Å; A120-H122 PolarHBondContact O-N 3.37Å; A120-H123 PolarHBondContact O-CD2 3.12Å; A120-H123 PolarHBondContact O-N 3.47Å; A120-A133 HydrophobicContact CB-CB 4.42Å |
| 121 | A | 91.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -24.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I117 | I117-A121 VanDerWaalsContact O-CB 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.42Å; I117-A121 PolarHBondContact O-N 2.93Å |
| 122 | H | 87 | Confident | 90.1 | Very high | 57 Ų | 57 | 47 Ų | 47 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 24.4 | -177 | -75.6 | -163.4 | 0 | 0 | 0 | 113.5 | W58 S63 V118 A119 A120 S124 K125 A129 | W58-H122 AromaticContact NE1-ND1 3.83Å; S63-H122 WeakPolarHBondContact CB-CE1 3.41Å; S63-H122 WeakPolarHBondContact CB-ND1 3.37Å; S63-H122 PolarHBondContact OG-CE1 2.95Å; S63-H122 VanDerWaalsContact OG-CE1 3.3Å; S63-H122 PolarHBondContact OG-ND1 2.92Å; V118-H122 PolarHBondContact O-N 3.38Å; A119-H122 CarbonylContact O-C 3.58Å; A119-H122 PolarHBondContact O-N 3.02Å; A120-H122 PolarHBondContact O-N 3.37Å; H122-S124 PolarHBondContact O-N 2.83Å; H122-K125 HydrophobicContact CB-CD 4.23Å; H122-K125 HydrophobicContact CB-CG 4.4Å; H122-K125 PolarHBondContact CE1-NZ 2.96Å; H122-K125 PolarHBondContact ND1-NZ 3.05Å; H122-K125 PolarHBondContact NE2-NZ 3.29Å; H122-K125 WeakPolarHBondContact O-CB 3.38Å; H122-K125 PolarHBondContact O-N 2.91Å; H122-A129 WeakPolarHBondContact O-CB 3.3Å |
| 123 | H | 77.9 | Confident | 89.9 | Confident | 119 Ų | 119 | 47.7 Ų | 47.7 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -55 | -26.5 | 179.6 | 71.9 | 89 | 0 | 0 | 0 | 114.4 | A119 A120 K125 I130 | A119-H123 PolarHBondContact O-N 3.36Å; A120-H123 PolarHBondContact O-CD2 3.12Å; A120-H123 PolarHBondContact O-N 3.47Å; H123-K125 PolarHBondContact O-N 3.5Å; H123-I130 HydrophobicContact CB-CG1 4.03Å |
| 124 | S | 78.6 | Confident | 89.9 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -68.9 | -12.6 | 178.1 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | H122 | H122-S124 PolarHBondContact O-N 2.83Š|
| 125 | K | 74.2 | Confident | 89.9 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -84.2 | -4.4 | -175 | -63.8 | -165.9 | 171.2 | 71 | 0 | 114.8 | W58 H122 H123 | W58-K125 HydrophobicContact CB-CB 4.22Å; W58-K125 HydrophobicContact CG-CB 4.2Å; W58-K125 HydrophobicContact CG-CD 4.17Å; H122-K125 HydrophobicContact CB-CD 4.23Å; H122-K125 HydrophobicContact CB-CG 4.4Å; H122-K125 PolarHBondContact CE1-NZ 2.96Å; H122-K125 PolarHBondContact ND1-NZ 3.05Å; H122-K125 PolarHBondContact NE2-NZ 3.29Å; H122-K125 WeakPolarHBondContact O-CB 3.38Å; H122-K125 PolarHBondContact O-N 2.91Å; H123-K125 PolarHBondContact O-N 3.5Å |
| 126 | G | 78.7 | Confident | 89.9 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | trans | 134.9 | 172.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G128 A129 | G126-G128 PolarHBondContact O-N 2.88Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-A129 VanDerWaalsContact O-N 3.12Å | ||
| 127 | A | 86.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.9 | -32 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A129 I130 A131 | A127-A129 VanDerWaalsContact C-N 3.32Å; A127-A129 PolarHBondContact O-N 3.36Å; A127-I130 PolarHBondContact O-N 3.37Å; A127-A131 PolarHBondContact O-N 2.89Å |
| 128 | G | 87.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.1 | -26.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T55 G126 A132 | T55-G128 VanDerWaalsContact OG1-CA 3.3Å; T55-G128 WeakPolarHBondContact OG1-CA 3.37Å; G126-G128 PolarHBondContact O-N 2.88Å; G128-A132 VanDerWaalsContact O-CB 3.22Å; G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 3.28Å |
| 129 | A | 88.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W58 H122 G126 A127 A132 A133 | W58-A129 HydrophobicContact CD2-CB 4.09Å; W58-A129 HydrophobicContact CE3-CB 4.04Å; W58-A129 HydrophobicContact CH2-CB 4.33Å; W58-A129 HydrophobicContact CZ2-CB 4.39Å; W58-A129 HydrophobicContact CZ3-CB 4.15Å; H122-A129 WeakPolarHBondContact O-CB 3.3Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-A129 VanDerWaalsContact O-N 3.12Å; A127-A129 VanDerWaalsContact C-N 3.32Å; A127-A129 PolarHBondContact O-N 3.36Å; A129-A132 PolarHBondContact O-N 2.93Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.04Å |
| 130 | I | 91.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 175.4 | -59.6 | 168.1 | 0 | 0 | 0 | 110.2 | H123 A127 A132 A133 V134 | H123-I130 HydrophobicContact CB-CG1 4.03Å; A127-I130 PolarHBondContact O-N 3.37Å; I130-A132 PolarHBondContact O-N 2.76Å; I130-A133 WeakPolarHBondContact O-CB 3.42Å; I130-A133 PolarHBondContact O-N 3.49Å; I130-A133 VanDerWaalsContact O-N 3.17Å; I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3Å |
| 131 | A | 94 | Very high | 90.6 | Very high | 30 Ų | 30 | 47 Ų | 47 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C51 A127 A133 V134 F135 | C51-A131 HydrophobicContact CB-CB 4.43Å; A127-A131 PolarHBondContact O-N 2.89Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 3.15Å; A131-V134 PolarHBondContact O-N 2.87Å; A131-F135 HydrophobicContact CB-CD2 4.45Å; A131-F135 HydrophobicContact CB-CE2 4.43Å; A131-F135 WeakPolarHBondContact O-CD2 3.45Å; A131-F135 PolarHBondContact O-N 3.38Å |
| 132 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C51 W58 A119 G128 A129 I130 S136 | C51-A132 HydrophobicContact CB-CB 4.14Å; W58-A132 HydrophobicContact CH2-CB 3.84Å; W58-A132 HydrophobicContact CZ3-CB 3.78Å; A119-A132 HydrophobicContact CB-CB 4.42Å; G128-A132 VanDerWaalsContact O-CB 3.22Å; G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 3.28Å; A129-A132 PolarHBondContact O-N 2.93Å; I130-A132 PolarHBondContact O-N 2.76Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 2.94Å; A132-S136 PolarHBondContact O-OG 3.32Å |
| 133 | A | 95 | Very high | 91.2 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A119 A120 A129 I130 A131 S136 A137 | A119-A133 HydrophobicContact CB-CB 3.71Å; A120-A133 HydrophobicContact CB-CB 4.42Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.04Å; I130-A133 WeakPolarHBondContact O-CB 3.42Å; I130-A133 PolarHBondContact O-N 3.49Å; I130-A133 VanDerWaalsContact O-N 3.17Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 3.15Å; A133-S136 PolarHBondContact O-N 3.42Å; A133-A137 PolarHBondContact O-N 3.25Å |
| 134 | V | 96.3 | Very high | 92 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -51.6 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | I130 A131 S136 A137 I138 | I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3Å; A131-V134 PolarHBondContact O-N 2.87Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.23Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 3.46Å; V134-A137 VanDerWaalsContact O-N 3.14Å; V134-I138 HydrophobicContact CG1-CD1 4.21Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.5Å |
| 135 | F | 97.2 | Very high | 92.7 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -31.2 | 179.2 | -71.1 | -62.5 | 0 | 0 | 0 | 112.7 | I47 V48 A131 I138 A139 | I47-F135 HydrophobicContact CG2-CB 4.36Å; I47-F135 HydrophobicContact CG2-CD1 3.86Å; I47-F135 HydrophobicContact CG2-CD2 3.46Å; I47-F135 VanDerWaalsContact CG2-CD2 3.46Å; I47-F135 HydrophobicContact CG2-CE1 3.95Å; I47-F135 HydrophobicContact CG2-CE2 3.57Å; I47-F135 HydrophobicContact CG2-CG 3.63Å; I47-F135 HydrophobicContact CG2-CZ 3.82Å; V48-F135 HydrophobicContact CG2-CB 3.64Å; A131-F135 HydrophobicContact CB-CD2 4.45Å; A131-F135 HydrophobicContact CB-CE2 4.43Å; A131-F135 WeakPolarHBondContact O-CD2 3.45Å; A131-F135 PolarHBondContact O-N 3.38Å; F135-I138 HydrophobicContact CD1-CD1 4.13Å; F135-I138 PolarHBondContact O-N 3.27Å; F135-A139 WeakPolarHBondContact O-CB 3.25Å; F135-A139 PolarHBondContact O-N 3.47Å |
| 136 | S | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 172.8 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | W112 T115 A132 A133 V134 A139 L140 | W112-S136 WeakPolarHBondContact CZ3-OG 3.35Å; T115-S136 WeakPolarHBondContact CG2-OG 3.28Å; A132-S136 WeakPolarHBondContact O-CB 3.35Å; A132-S136 PolarHBondContact O-N 2.94Å; A132-S136 PolarHBondContact O-OG 3.32Å; A133-S136 PolarHBondContact O-N 3.42Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.23Å; S136-A139 PolarHBondContact O-N 3.24Å; S136-L140 VanDerWaalsContact O-CB 3.28Å; S136-L140 WeakPolarHBondContact O-CB 3.49Å; S136-L140 PolarHBondContact O-N 3.17Å |
| 137 | A | 97.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 34% | 0.339 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L116 A133 V134 L140 A141 | L116-A137 HydrophobicContact CD1-CB 3.77Å; L116-A137 HydrophobicContact CG-CB 4.26Å; A133-A137 PolarHBondContact O-N 3.25Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 3.46Å; V134-A137 VanDerWaalsContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 2.84Å; A137-A141 PolarHBondContact O-N 3.18Å |
| 138 | I | 98.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 40% | 0.395 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 173.9 | -56.2 | 168.1 | 0 | 0 | 0 | 109.9 | L44 V134 F135 L140 A141 V142 | L44-I138 HydrophobicContact CD2-CB 3.96Å; L44-I138 HydrophobicContact CD2-CG2 3.64Å; V134-I138 HydrophobicContact CG1-CD1 4.21Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.5Å; F135-I138 HydrophobicContact CD1-CD1 4.13Å; F135-I138 PolarHBondContact O-N 3.27Å; I138-L140 PolarHBondContact O-N 3Å; I138-A141 WeakPolarHBondContact O-CB 3.23Å; I138-A141 PolarHBondContact O-N 3.33Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 2.61Å |
| 139 | A | 97 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L44 W112 F135 S136 A141 V142 Y143 | L44-A139 HydrophobicContact CB-CB 4.27Å; L44-A139 VanDerWaalsContact CD2-CA 3.48Å; L44-A139 HydrophobicContact CD2-CB 3.87Å; W112-A139 HydrophobicContact CD2-CB 3.61Å; W112-A139 HydrophobicContact CE3-CB 3.7Å; W112-A139 HydrophobicContact CG-CB 4.23Å; W112-A139 HydrophobicContact CH2-CB 3.92Å; W112-A139 HydrophobicContact CZ2-CB 3.82Å; W112-A139 HydrophobicContact CZ3-CB 3.87Å; F135-A139 WeakPolarHBondContact O-CB 3.25Å; F135-A139 PolarHBondContact O-N 3.47Å; S136-A139 PolarHBondContact O-N 3.24Å; A139-A141 VanDerWaalsContact C-N 3.31Å; A139-A141 PolarHBondContact O-N 2.97Å; A139-V142 PolarHBondContact O-N 2.86Å; A139-V142 VanDerWaalsContact O-N 3.13Å; A139-Y143 VanDerWaalsContact O-CD2 3.32Å; A139-Y143 WeakPolarHBondContact O-CD2 3.4Å; A139-Y143 PolarHBondContact O-N 3.39Å |
| 140 | L | 97.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.6 | -47.2 | 174 | 179.2 | 65.6 | 0 | 0 | 0 | 111.5 | T109 W112 F113 L116 S136 A137 I138 V142 Y143 I144 | T109-L140 HydrophobicContact CG2-CD1 3.77Å; T109-L140 WeakPolarHBondContact O-CD1 3.49Å; W112-L140 HydrophobicContact CB-CB 4.22Å; W112-L140 HydrophobicContact CB-CD1 4.17Å; F113-L140 HydrophobicContact CB-CD1 3.95Å; F113-L140 HydrophobicContact CB-CD2 4.33Å; F113-L140 HydrophobicContact CD2-CD2 3.82Å; L116-L140 HydrophobicContact CD1-CD2 3.82Å; S136-L140 VanDerWaalsContact O-CB 3.28Å; S136-L140 WeakPolarHBondContact O-CB 3.49Å; S136-L140 PolarHBondContact O-N 3.17Å; A137-L140 PolarHBondContact O-N 2.84Å; I138-L140 PolarHBondContact O-N 3Å; L140-V142 PolarHBondContact O-N 3.46Å; L140-Y143 PolarHBondContact O-N 2.86Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.39Å |
| 141 | A | 97 | Very high | 91.7 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A137 I138 A139 Y143 I144 T145 | A137-A141 PolarHBondContact O-N 3.18Å; I138-A141 WeakPolarHBondContact O-CB 3.23Å; I138-A141 PolarHBondContact O-N 3.33Å; A139-A141 VanDerWaalsContact C-N 3.31Å; A139-A141 PolarHBondContact O-N 2.97Å; A141-Y143 PolarHBondContact O-N 2.94Å; A141-I144 PolarHBondContact O-N 2.96Å; A141-T145 VanDerWaalsContact O-CG2 3.31Å; A141-T145 WeakPolarHBondContact O-CG2 3.36Å; A141-T145 PolarHBondContact O-N 3.46Å; A141-T145 PolarHBondContact O-OG1 3.35Å |
| 142 | V | 95.9 | Very high | 90.4 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | L37 C40 Q41 L44 I138 A139 L140 I144 T145 E146 | L37-V142 HydrophobicContact CD2-CG1 4.3Å; C40-V142 HydrophobicContact CB-CG1 4.25Å; Q41-V142 HydrophobicContact CG-CG1 3.76Å; L44-V142 HydrophobicContact CD2-CG2 4.25Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 2.61Å; A139-V142 PolarHBondContact O-N 2.86Å; A139-V142 VanDerWaalsContact O-N 3.13Å; L140-V142 PolarHBondContact O-N 3.46Å; V142-I144 PolarHBondContact O-N 3Å; V142-T145 WeakPolarHBondContact CA-OG1 3.15Å; V142-T145 PolarHBondContact O-N 3.08Å; V142-T145 PolarHBondContact O-OG1 2.89Å; V142-E146 PolarHBondContact O-N 3.04Å |
| 143 | Y | 94.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.9 | -90.7 | -93.3 | 0 | 0 | 0 | 112.5 | Q41 L105 C108 W112 A139 L140 A141 T145 E146 L147 | Q41-Y143 HydrophobicContact CB-CE2 3.9Å; Q41-Y143 HydrophobicContact CG-CD2 3.88Å; Q41-Y143 HydrophobicContact CG-CE2 3.44Å; Q41-Y143 VanDerWaalsContact CG-CE2 3.44Å; L105-Y143 HydrophobicContact CD2-CD1 3.71Å; L105-Y143 HydrophobicContact CD2-CE1 3.72Å; C108-Y143 HydrophobicContact CB-CD1 3.78Å; C108-Y143 HydrophobicContact CB-CE1 3.27Å; W112-Y143 AromaticContact CD1-CD2 3.41Å; W112-Y143 VanDerWaalsContact CD1-CD2 3.41Å; W112-Y143 AromaticContact CD1-CE2 3.45Å; W112-Y143 VanDerWaalsContact CD1-CE2 3.45Å; W112-Y143 AromaticContact CD1-CG 3.94Å; W112-Y143 HydrophobicContact CG-CD2 4.41Å; W112-Y143 AromaticContact NE1-CD2 3.51Å; W112-Y143 AromaticContact NE1-CE2 3.06Å; W112-Y143 AromaticContact NE1-CZ 3.66Å; A139-Y143 VanDerWaalsContact O-CD2 3.32Å; A139-Y143 WeakPolarHBondContact O-CD2 3.4Å; A139-Y143 PolarHBondContact O-N 3.39Å; L140-Y143 PolarHBondContact O-N 2.86Å; A141-Y143 PolarHBondContact O-N 2.94Å; Y143-T145 PolarHBondContact O-N 3.45Å; Y143-E146 PolarHBondContact O-N 3.42Å; Y143-L147 WeakPolarHBondContact O-CB 3.43Å; Y143-L147 PolarHBondContact O-N 3.5Å |
| 144 | I | 94.8 | Very high | 86.5 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.4 | -69.6 | 169.6 | 0 | 0 | 0 | 110.8 | T109 L140 A141 V142 L147 A148 | T109-I144 HydrophobicContact CG2-CG1 3.8Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.39Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.39Å; A141-I144 PolarHBondContact O-N 2.96Å; V142-I144 PolarHBondContact O-N 3Å; I144-L147 PolarHBondContact O-N 2.83Å; I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.42Å; I144-A148 PolarHBondContact O-N 3.37Å |
| 145 | T | 92.2 | Very high | 84.1 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.8 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | A141 V142 Y143 A148 T149 | A141-T145 VanDerWaalsContact O-CG2 3.31Å; A141-T145 WeakPolarHBondContact O-CG2 3.36Å; A141-T145 PolarHBondContact O-N 3.46Å; A141-T145 PolarHBondContact O-OG1 3.35Å; V142-T145 WeakPolarHBondContact CA-OG1 3.15Å; V142-T145 PolarHBondContact O-N 3.08Å; V142-T145 PolarHBondContact O-OG1 2.89Å; Y143-T145 PolarHBondContact O-N 3.45Å; T145-A148 PolarHBondContact O-N 3.49Å; T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 VanDerWaalsContact O-CG2 3.29Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 2.72Å; T145-T149 PolarHBondContact O-OG1 3.12Å |
| 146 | E | 90.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 174 | -164.7 | 172.9 | 144.8 | 0 | 0 | 110.8 | L37 K38 Q41 L105 V142 Y143 A148 T149 R150 | L37-E146 HydrophobicContact CB-CG 4.43Å; L37-E146 HydrophobicContact CD1-CB 4.11Å; L37-E146 HydrophobicContact CD1-CG 4.2Å; K38-E146 IonicContact NZ-OE1 2.67Å; K38-E146 PolarHBondContact NZ-OE1 2.91Å; Q41-E146 VanDerWaalsContact CD-OE2 3.23Å; Q41-E146 PolarHBondContact NE2-OE2 3.41Å; Q41-E146 PolarHBondContact OE1-OE2 2.9Å; L105-E146 HydrophobicContact CD1-CB 4.27Å; L105-E146 HydrophobicContact CD1-CG 3.9Å; V142-E146 PolarHBondContact O-N 3.04Å; Y143-E146 PolarHBondContact O-N 3.42Å; E146-A148 PolarHBondContact O-N 2.95Å; E146-T149 WeakPolarHBondContact CA-OG1 3.31Å; E146-T149 PolarHBondContact O-N 2.88Å; E146-T149 PolarHBondContact O-OG1 2.85Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.74Å; E146-R150 IonicContact OE1-NH1 2.89Å; E146-R150 PolarHBondContact OE1-NH1 3.42Å; E146-R150 IonicContact OE1-NH2 3.67Å; E146-R150 PolarHBondContact OE1-NH2 3.32Å |
| 147 | L | 87.5 | Confident | 80.2 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.8 | -163.3 | 67.5 | 0 | 0 | 0 | 111.8 | F102 L105 Y143 I144 R150 F151 | F102-L147 HydrophobicContact CD2-CD1 3.46Å; F102-L147 VanDerWaalsContact CD2-CD1 3.46Å; F102-L147 HydrophobicContact CE2-CD1 3.47Å; F102-L147 VanDerWaalsContact CE2-CD1 3.47Å; F102-L147 HydrophobicContact CE2-CG 4.29Å; L105-L147 HydrophobicContact CB-CD1 4.06Å; L105-L147 HydrophobicContact CD1-CD1 4.34Å; Y143-L147 WeakPolarHBondContact O-CB 3.43Å; Y143-L147 PolarHBondContact O-N 3.5Å; I144-L147 PolarHBondContact O-N 2.83Å; L147-R150 PolarHBondContact O-N 3.2Å; L147-F151 PolarHBondContact O-N 3.43Å; L147-F151 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 86.1 | Confident | 78.4 | Confident | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I144 T145 E146 F151 R152 | I144-A148 VanDerWaalsContact O-CB 3.3Å; I144-A148 WeakPolarHBondContact O-CB 3.42Å; I144-A148 PolarHBondContact O-N 3.37Å; T145-A148 PolarHBondContact O-N 3.49Å; E146-A148 PolarHBondContact O-N 2.95Å; A148-F151 CarbonylContact O-C 3.5Å; A148-F151 PolarHBondContact O-N 3.12Å; A148-R152 WeakPolarHBondContact O-CG 3.27Å; A148-R152 PolarHBondContact O-N 3.23Å |
| 149 | T | 81.6 | Confident | 76.2 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 176.7 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | L33 T145 E146 T165 | L33-T149 HydrophobicContact CD2-CG2 4.2Å; T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 VanDerWaalsContact O-CG2 3.29Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 2.72Å; T145-T149 PolarHBondContact O-OG1 3.12Å; E146-T149 WeakPolarHBondContact CA-OG1 3.31Å; E146-T149 PolarHBondContact O-N 2.88Å; E146-T149 PolarHBondContact O-OG1 2.85Å; T149-T165 PolarHBondContact O-OG1 3.41Å |
| 150 | R | 73.5 | Confident | 74 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 2% | 0.019 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 176 | -71.9 | -131.9 | 176.6 | 78.1 | 17.5 | 114.2 | S34 E101 E146 L147 M164 | S34-R150 PolarHBondContact OG-NH2 3.38Å; E101-R150 IonicContact OE1-CZ 3.05Å; E101-R150 IonicContact OE1-NE 3.06Å; E101-R150 IonicContact OE1-NH1 3.05Å; E101-R150 PolarHBondContact OE1-NH1 3.3Å; E101-R150 IonicContact OE1-NH2 2.83Å; E101-R150 PolarHBondContact OE1-NH2 3.39Å; E101-R150 IonicContact OE2-CZ 3.97Å; E101-R150 IonicContact OE2-NE 3.79Å; E101-R150 PolarHBondContact OE2-NE 2.82Å; E101-R150 IonicContact OE2-NH1 3.48Å; E101-R150 IonicContact OE2-NH2 2.74Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.74Å; E146-R150 IonicContact OE1-NH1 2.89Å; E146-R150 PolarHBondContact OE1-NH1 3.42Å; E146-R150 IonicContact OE1-NH2 3.67Å; E146-R150 PolarHBondContact OE1-NH2 3.32Å; L147-R150 PolarHBondContact O-N 3.2Å; R150-M164 VanDerWaalsContact O-CE 3.23Å; R150-M164 WeakPolarHBondContact O-CE 3.07Å |
| 151 | F | 68.1 | Low | 72 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 25% | 0.254 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 40.2 | -178.6 | -73.3 | -98.4 | 0 | 0 | 0 | 112.2 | F102 L147 A148 C153 I162 M164 | F102-F151 HydrophobicContact CB-CE2 3.76Å; F102-F151 HydrophobicContact CB-CZ 3.75Å; F102-F151 HydrophobicContact CD1-CE2 4.44Å; F102-F151 AromaticContact CD1-CZ 3.99Å; F102-F151 HydrophobicContact CD1-CZ 3.99Å; F102-F151 AromaticContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CD2 3.66Å; F102-F151 HydrophobicContact CD2-CE1 4.27Å; F102-F151 AromaticContact CD2-CE2 2.91Å; F102-F151 HydrophobicContact CD2-CE2 2.91Å; F102-F151 AromaticContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CD2-CZ 3.27Å; F102-F151 HydrophobicContact CE1-CZ 4.38Å; F102-F151 AromaticContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CD2 3.8Å; F102-F151 HydrophobicContact CE2-CE1 4.26Å; F102-F151 AromaticContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CE2 3.45Å; F102-F151 VanDerWaalsContact CE2-CE2 3.45Å; F102-F151 HydrophobicContact CE2-CG 4.4Å; F102-F151 AromaticContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CE2-CZ 3.68Å; F102-F151 HydrophobicContact CG-CE1 4.46Å; F102-F151 AromaticContact CG-CE2 3.46Å; F102-F151 HydrophobicContact CG-CE2 3.46Å; F102-F151 VanDerWaalsContact CG-CE2 3.46Å; F102-F151 AromaticContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CG-CZ 3.38Å; F102-F151 HydrophobicContact CZ-CE2 4.41Å; F102-F151 HydrophobicContact CZ-CZ 4.23Å; L147-F151 PolarHBondContact O-N 3.43Å; L147-F151 VanDerWaalsContact O-N 3.08Å; A148-F151 CarbonylContact O-C 3.5Å; A148-F151 PolarHBondContact O-N 3.12Å; F151-C153 PolarHBondContact O-N 2.96Å; F151-C153 PolarHBondContact O-SG 3.48Å; F151-I162 HydrophobicContact CD1-CG2 3.73Å; F151-I162 HydrophobicContact CE1-CG2 4.22Å; F151-M164 HydrophobicContact CB-CE 4.47Å; F151-M164 HydrophobicContact CD1-CE 3.26Å; F151-M164 HydrophobicContact CD2-CE 3.76Å; F151-M164 HydrophobicContact CE1-CE 3.13Å; F151-M164 HydrophobicContact CE1-SD 4.09Å; F151-M164 HydrophobicContact CE2-CE 3.56Å; F151-M164 HydrophobicContact CG-CE 3.58Å; F151-M164 HydrophobicContact CZ-CE 3.28Å; F151-M164 HydrophobicContact CZ-SD 3.98Å |
| 152 | R | 64.8 | Low | 69.9 | Low | 185 Ų | 185 | 78.2 Ų | 78.2 | 70% | 0.698 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 92 | 167.2 | -64.1 | -172.2 | 78.8 | -157.5 | 4 | 107.9 | A148 E154 | A148-R152 WeakPolarHBondContact O-CG 3.27Å; A148-R152 PolarHBondContact O-N 3.23Å; R152-E154 PolarHBondContact O-N 3.46Å |
| 153 | C | 53.8 | Low | 68 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.3 | 176.3 | -50.7 | 0 | 0 | 0 | 0 | 108.5 | F151 F160 I161 | F151-C153 PolarHBondContact O-N 2.96Å; F151-C153 PolarHBondContact O-SG 3.48Å; C153-F160 HydrophobicContact CB-CD1 4.14Å; C153-F160 HydrophobicContact CB-CD2 3.8Å; C153-F160 HydrophobicContact CB-CE1 3.44Å; C153-F160 VanDerWaalsContact CB-CE1 3.44Å; C153-F160 HydrophobicContact CB-CE2 3.03Å; C153-F160 HydrophobicContact CB-CG 4.33Å; C153-F160 HydrophobicContact CB-CZ 2.87Å; C153-F160 WeakPolarHBondContact SG-CE1 3.48Å; C153-F160 WeakPolarHBondContact SG-CZ 3.38Å; C153-I161 WeakPolarHBondContact CA-O 3.47Å |
| 154 | E | 54.4 | Low | 66 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.7 | 179.9 | -161.4 | 171.7 | 148.3 | 0 | 0 | 107.6 | R152 R156 I161 | R152-E154 PolarHBondContact O-N 3.46Å; E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 PolarHBondContact O-N 3.35Å; E154-R156 VanDerWaalsContact O-N 3.09Å; E154-R156 IonicContact OE1-NE 3.64Å; E154-I161 PolarHBondContact N-O 3.35Å; E154-I161 PolarHBondContact O-N 3.25Å |
| 155 | R | 45.6 | Very low | 64.2 | Low | 221 Ų | 221 | 81 Ų | 81 | 83% | 0.834 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 103.3 | 165.4 | -86.5 | -170.5 | 176.3 | 151.7 | -0.9 | 107.4 | ||
| 156 | R | 50 | Low | 62.3 | Low | 162 Ų | 162 | 79.4 Ų | 79.4 | 61% | 0.611 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 102.8 | 166.1 | -77.1 | -171.2 | 174.7 | -173.1 | 0.4 | 107.9 | E154 G159 I161 | E154-R156 HydrophobicContact CG-CG 4.32Å; E154-R156 PolarHBondContact O-N 3.35Å; E154-R156 VanDerWaalsContact O-N 3.09Å; E154-R156 IonicContact OE1-NE 3.64Å; R156-G159 PolarHBondContact N-O 3.49Å; R156-G159 PolarHBondContact O-N 3.21Å; R156-I161 HydrophobicContact CB-CD1 4.35Å |
| 157 | G | 62.7 | Low | 60.1 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -133.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | G159 | G157-G159 VanDerWaalsContact C-N 3.3Š|
| 158 | N | 60.1 | Low | 57.8 | Low | 186 Ų | 186 | 86.8 Ų | 86.8 | 100% | 0.995 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.2 | 178.4 | -76.6 | 23.2 | 0 | 0 | 0 | 113.5 | ||
| 159 | G | 51.6 | Low | 55.6 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R156 G157 | R156-G159 PolarHBondContact N-O 3.49Å; R156-G159 PolarHBondContact O-N 3.21Å; G157-G159 VanDerWaalsContact C-N 3.3Å |
| 160 | F | 50.6 | Low | 53.4 | Low | 125 Ų | 125 | 92 Ų | 92 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 107.5 | 171.9 | -174.8 | -107.9 | 0 | 0 | 0 | 108.4 | C153 I162 | C153-F160 HydrophobicContact CB-CD1 4.14Å; C153-F160 HydrophobicContact CB-CD2 3.8Å; C153-F160 HydrophobicContact CB-CE1 3.44Å; C153-F160 VanDerWaalsContact CB-CE1 3.44Å; C153-F160 HydrophobicContact CB-CE2 3.03Å; C153-F160 HydrophobicContact CB-CG 4.33Å; C153-F160 HydrophobicContact CB-CZ 2.87Å; C153-F160 WeakPolarHBondContact SG-CE1 3.48Å; C153-F160 WeakPolarHBondContact SG-CZ 3.38Å; F160-I162 HydrophobicContact CD1-CD1 4.2Å; F160-I162 HydrophobicContact CD1-CG1 3.61Å; F160-I162 HydrophobicContact CE1-CD1 3.85Å; F160-I162 HydrophobicContact CE1-CG1 3.46Å; F160-I162 VanDerWaalsContact CE1-CG1 3.46Å |
| 161 | I | 55.1 | Low | 51.6 | Low | 60 Ų | 60 | 98 Ų | 98 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.6 | 171.7 | -67.2 | 167.2 | 0 | 0 | 0 | 107.1 | C153 E154 R156 T163 | C153-I161 WeakPolarHBondContact CA-O 3.47Å; E154-I161 PolarHBondContact N-O 3.35Å; E154-I161 PolarHBondContact O-N 3.25Å; R156-I161 HydrophobicContact CB-CD1 4.35Å; I161-T163 PolarHBondContact O-N 3.02Å |
| 162 | I | 54.1 | Low | 50 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 40% | 0.395 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 94.7 | 168.7 | -54.2 | -176.9 | 0 | 0 | 0 | 106.3 | F151 F160 M164 | F151-I162 HydrophobicContact CD1-CG2 3.73Å; F151-I162 HydrophobicContact CE1-CG2 4.22Å; F160-I162 HydrophobicContact CD1-CD1 4.2Å; F160-I162 HydrophobicContact CD1-CG1 3.61Å; F160-I162 HydrophobicContact CE1-CD1 3.85Å; F160-I162 HydrophobicContact CE1-CG1 3.46Å; F160-I162 VanDerWaalsContact CE1-CG1 3.46Å; I162-M164 VanDerWaalsContact C-N 3.34Å; I162-M164 HydrophobicContact CG2-CE 3.38Å; I162-M164 HydrophobicContact CG2-CG 4.31Å; I162-M164 HydrophobicContact CG2-SD 4.39Å; I162-M164 PolarHBondContact O-N 3.22Å |
| 163 | T | 55.2 | Low | 48.6 | Very low | 50 Ų | 50 | 95 Ų | 95 | 31% | 0.307 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 95.5 | 173.1 | -58 | 0 | 0 | 0 | 0 | 107.9 | I161 T165 | I161-T163 PolarHBondContact O-N 3.02Å; T163-T165 HydrophobicContact CG2-CG2 4.37Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-T165 VanDerWaalsContact O-N 3.08Å |
| 164 | M | 53.6 | Low | 47.9 | Very low | 61 Ų | 61 | 101.6 Ų | 101.6 | 30% | 0.3 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.8 | 98.1 | 171.9 | -61 | -92.5 | 85.9 | 0 | 0 | 107.8 | I98 R150 F151 I162 G166 | I98-M164 HydrophobicContact CD1-CB 4.47Å; I98-M164 HydrophobicContact CD1-SD 3.83Å; I98-M164 HydrophobicContact CG1-CB 4.34Å; I98-M164 HydrophobicContact CG1-CG 4.18Å; I98-M164 HydrophobicContact CG1-SD 3.27Å; I98-M164 WeakPolarHBondContact CG1-SD 3.37Å; R150-M164 VanDerWaalsContact O-CE 3.23Å; R150-M164 WeakPolarHBondContact O-CE 3.07Å; F151-M164 HydrophobicContact CB-CE 4.47Å; F151-M164 HydrophobicContact CD1-CE 3.26Å; F151-M164 HydrophobicContact CD2-CE 3.76Å; F151-M164 HydrophobicContact CE1-CE 3.13Å; F151-M164 HydrophobicContact CE1-SD 4.09Å; F151-M164 HydrophobicContact CE2-CE 3.56Å; F151-M164 HydrophobicContact CG-CE 3.58Å; F151-M164 HydrophobicContact CZ-CE 3.28Å; F151-M164 HydrophobicContact CZ-SD 3.98Å; I162-M164 VanDerWaalsContact C-N 3.34Å; I162-M164 HydrophobicContact CG2-CE 3.38Å; I162-M164 HydrophobicContact CG2-CG 4.31Å; I162-M164 HydrophobicContact CG2-SD 4.39Å; I162-M164 PolarHBondContact O-N 3.22Å; M164-G166 PolarHBondContact O-N 2.93Å |
| 165 | T | 56.1 | Low | 46.8 | Very low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | trans | -73.3 | 70.8 | 167.1 | 63.4 | 0 | 0 | 0 | 0 | 108.5 | T149 T163 | T149-T165 PolarHBondContact O-OG1 3.41Å; T163-T165 HydrophobicContact CG2-CG2 4.37Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-T165 VanDerWaalsContact O-N 3.08Å | ||
| 166 | G | 53.3 | Low | 46.4 | Very low | 31 Ų | 31 | 93.6 Ų | 93.6 | 32% | 0.32 | 54% | 0.544 | S | S | . | . | trans | -67.3 | 167.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | M164 M168 | M164-G166 PolarHBondContact O-N 2.93Å; G166-M168 PolarHBondContact O-N 3.39Å | ||
| 167 | V | 44.2 | Very low | 45.9 | Very low | 53 Ų | 53 | 90.6 Ų | 90.6 | 32% | 0.321 | 55% | 0.546 | S | S | . | . | trans | -54.5 | 107 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 107 | F29 Y85 T169 | F29-V167 HydrophobicContact CD2-CG2 3.66Å; F29-V167 HydrophobicContact CE2-CG2 3.6Å; Y85-V167 HydrophobicContact CD1-CG2 4.14Å; Y85-V167 HydrophobicContact CE1-CG2 4.46Å; V167-T169 PolarHBondContact O-N 3.3Å | ||
| 168 | M | 39.6 | Very low | 44.5 | Very low | 143 Ų | 143 | 94.1 Ų | 94.1 | 70% | 0.704 | 55% | 0.554 | S | S | * | * | trans | -57.7 | 106.4 | 172.2 | -76.4 | -82.5 | 155 | 0 | 0 | 105.6 | G166 T170 | G166-M168 PolarHBondContact O-N 3.39Å; M168-T170 VanDerWaalsContact C-N 3.27Å; M168-T170 PolarHBondContact O-N 3.2Å | ||
| 169 | T | 39 | Very low | 43.6 | Very low | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | trans | -64.6 | 101.9 | 166.9 | 46.1 | 0 | 0 | 0 | 0 | 104.7 | V167 H171 | V167-T169 PolarHBondContact O-N 3.3Å; T169-H171 PolarHBondContact O-N 3.47Å | ||
| 170 | T | 35.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 96.7 Ų | 96.7 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | trans | -60.1 | 91.8 | 168.7 | 49 | 0 | 0 | 0 | 0 | 106 | M168 A172 | M168-T170 VanDerWaalsContact C-N 3.27Å; M168-T170 PolarHBondContact O-N 3.2Å; T170-A172 PolarHBondContact O-N 3.21Å | ||
| 171 | H | 35 | Very low | 42.1 | Very low | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.606 | 58% | 0.579 | S | S | * | * | trans | -63.3 | 96.4 | 154.3 | -81.7 | -79.2 | 0 | 0 | 0 | 103.8 | R15 T169 T173 | R15-H171 PolarHBondContact NH1-ND1 2.94Å; T169-H171 PolarHBondContact O-N 3.47Å; H171-T173 PolarHBondContact O-N 2.84Å; H171-T173 PolarHBondContact O-OG1 3.36Å | ||
| 172 | A | 35.6 | Very low | 40.9 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | trans | -61.4 | 89.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | T170 H174 | T170-A172 PolarHBondContact O-N 3.21Å; A172-H174 PolarHBondContact O-N 3.36Å | ||
| 173 | T | 35.7 | Very low | 39.7 | Very low | 95 Ų | 95 | 103 Ų | 103 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | trans | -69.1 | 89.8 | 165.5 | -43.5 | 0 | 0 | 0 | 0 | 103.9 | R15 H171 G175 | R15-T173 VanDerWaalsContact NH2-CG2 3.31Å; H171-T173 PolarHBondContact O-N 2.84Å; H171-T173 PolarHBondContact O-OG1 3.36Å; T173-G175 VanDerWaalsContact C-N 3.28Å; T173-G175 PolarHBondContact O-N 2.9Å | ||
| 174 | H | 38.2 | Very low | 38.7 | Very low | 182 Ų | 182 | 107 Ų | 107 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -58.5 | 106.6 | 163.5 | -149.6 | -72.4 | 0 | 0 | 0 | 104.2 | A172 | A172-H174 PolarHBondContact O-N 3.36Š| ||
| 175 | G | 32.5 | Very low | 37.6 | Very low | 44 Ų | 44 | 107.7 Ų | 107.7 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 136.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | T173 | T173-G175 VanDerWaalsContact C-N 3.28Å; T173-G175 PolarHBondContact O-N 2.9Å |
| 176 | P | 37 | Very low | 36.4 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.8 | 176.6 | 21.8 | -30.6 | 0 | 0 | 0 | 108 | T178 | P176-T178 PolarHBondContact O-N 3.01Å; P176-T178 VanDerWaalsContact O-N 3.11Å |
| 177 | P | 38.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 127 | 176.5 | 19 | -29.9 | 0 | 0 | 0 | 108.2 | F179 | P177-F179 VanDerWaalsContact C-N 3.34Å; P177-F179 HydrophobicContact CB-CE2 4.47Å; P177-F179 HydrophobicContact CG-CE2 4.06Å; P177-F179 VanDerWaalsContact O-CD2 3.28Å; P177-F179 WeakPolarHBondContact O-CD2 3.38Å; P177-F179 PolarHBondContact O-N 3.25Å |
| 178 | T | 33.5 | Very low | 34.7 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -54 | 93.2 | -175.1 | -51.1 | 0 | 0 | 0 | 0 | 110.2 | P176 | P176-T178 PolarHBondContact O-N 3.01Å; P176-T178 VanDerWaalsContact O-N 3.11Å | ||
| 179 | F | 41.9 | Very low | 34.3 | Very low | 182 Ų | 182 | 124 Ų | 124 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -89.2 | 112.7 | 161.2 | -74 | -75 | 0 | 0 | 0 | 106.5 | P177 Q181 | P177-F179 VanDerWaalsContact C-N 3.34Å; P177-F179 HydrophobicContact CB-CE2 4.47Å; P177-F179 HydrophobicContact CG-CE2 4.06Å; P177-F179 VanDerWaalsContact O-CD2 3.28Å; P177-F179 WeakPolarHBondContact O-CD2 3.38Å; P177-F179 PolarHBondContact O-N 3.25Å; F179-Q181 PolarHBondContact O-N 3.32Å | ||
| 180 | A | 32.8 | Very low | 34 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -50.4 | 108.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 181 | Q | 37.8 | Very low | 33.9 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 131.1 | 177.5 | -138.2 | -165.9 | -68.7 | 0 | 0 | 109.5 | F179 | F179-Q181 PolarHBondContact O-N 3.32Š|
| 182 | P | 30 | Very low | 33.9 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 153.7 | 175.5 | -15.8 | 30.2 | 0 | 0 | 0 | 112.7 | ||
| 183 | A | 30 | Very low | 33.6 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 158.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 184 | P | 33.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 131.2 | -159.5 | 0.8 | 17.1 | 0 | 0 | 0 | 113.7 | ||
| 185 | G | 30.4 | Very low | 33.1 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 124.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 186 | H | 30.4 | Very low | 33.1 | Very low | 182 Ų | 182 | 137 Ų | 137 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 132.5 | 167.8 | -103.6 | -67.6 | 0 | 0 | 0 | 113.2 | ||
| 187 | M | 33 | Very low | 32.9 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -168.3 | 103.9 | 145.7 | -107.8 | 172 | -77 | 0 | 0 | 108.5 | ||||
| 188 | Q | 29.5 | Very low | 32.6 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 85.3 | 117.4 | 101.9 | -83.6 | -172.8 | -49.2 | 0 | 0 | 113.1 | |||||
| 189 | A | 30.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -81.6 | 110.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | E | 33.6 | Very low | 32.3 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -92.3 | 140.2 | 173.4 | -154.2 | 109.4 | 168 | 0 | 0 | 110.5 | ||||
| 191 | S | 32.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -59.1 | 141.2 | -171.6 | 45.4 | 0 | 0 | 0 | 0 | 115 | D193 | S191-D193 PolarHBondContact O-N 3.21Š| ||
| 192 | V | 36 | Very low | 32 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 100 | -179.1 | 178 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 193 | D | 29.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -93 | 124.2 | 160.7 | -95.3 | -33.7 | 0 | 0 | 0 | 109.7 | S191 H195 | S191-D193 PolarHBondContact O-N 3.21Å; D193-H195 PolarHBondContact O-N 3.15Å | ||
| 194 | P | 32.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -78.7 | 69.4 | -176.6 | 31.8 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 195 | H | 31 | Very low | 32.6 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -77.4 | 126.1 | 164.9 | -89.7 | -75.3 | 0 | 0 | 0 | 109.9 | D193 G197 | D193-H195 PolarHBondContact O-N 3.15Å; H195-G197 VanDerWaalsContact C-N 3.29Å; H195-G197 PolarHBondContact O-N 2.94Å | ||
| 196 | I | 33.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -65.3 | 88 | 177.3 | -55.7 | 171.2 | 0 | 0 | 0 | 107.7 | ||||
| 197 | G | 32.2 | Very low | 33.2 | Very low | 60 Ų | 60 | 129.5 Ų | 129.5 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | trans | -75 | 125.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H195 S199 | H195-G197 VanDerWaalsContact C-N 3.29Å; H195-G197 PolarHBondContact O-N 2.94Å; G197-S199 PolarHBondContact O-N 2.91Å | ||
| 198 | F | 32.4 | Very low | 33.5 | Very low | 212 Ų | 212 | 125.3 Ų | 125.3 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -67.2 | 77.2 | 158.8 | -110.9 | -97.1 | 0 | 0 | 0 | 107.8 | G200 | F198-G200 PolarHBondContact O-N 2.88Š| ||
| 199 | S | 35.4 | Very low | 34.1 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 67.3 | -179.1 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | G197 | G197-S199 PolarHBondContact O-N 2.91Š| ||
| 200 | G | 33.3 | Very low | 34.5 | Very low | 48 Ų | 48 | 125.7 Ų | 125.7 | 50% | 0.495 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -60.9 | 131.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | F198 Y202 | F198-G200 PolarHBondContact O-N 2.88Å; G200-Y202 PolarHBondContact O-N 3.09Å |
| 201 | A | 33.3 | Very low | 34.5 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -63.2 | 81 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | Y | 31.5 | Very low | 34.6 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 52% | 0.522 | 73% | 0.726 | S | S | . | * | trans | -72.6 | 131.7 | 165.4 | -85 | -76.8 | 0 | 0 | 0 | 107.5 | G200 E206 | G200-Y202 PolarHBondContact O-N 3.09Å; Y202-E206 HydrophobicContact CD1-CB 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.16Å; Y202-E206 HydrophobicContact CE1-CB 3.92Å; Y202-E206 HydrophobicContact CG-CB 4.2Å | ||
| 203 | A | 34.7 | Very low | 34.3 | Very low | 60 Ų | 60 | 126.5 Ų | 126.5 | 50% | 0.496 | 73% | 0.725 | S | S | . | * | trans | -63 | 151.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G205 E206 | A203-G205 PolarHBondContact O-N 3.28Å; A203-E206 PolarHBondContact N-OE2 3.26Å; A203-E206 PolarHBondContact O-N 3.12Å | ||
| 204 | P | 34.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 94% | 0.935 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 111.4 | 178.1 | -19.6 | 30.1 | 0 | 0 | 0 | 110.1 | ||
| 205 | G | 35.8 | Very low | 35.1 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.3 | -15.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A203 R207 | A203-G205 PolarHBondContact O-N 3.28Å; G205-R207 PolarHBondContact O-N 3.47Å; G205-R207 VanDerWaalsContact O-N 3.14Å |
| 206 | E | 36.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | trans | -83.5 | 94.3 | 177.2 | -82.6 | 167.8 | 134.2 | 0 | 0 | 110.7 | Y202 A203 | Y202-E206 HydrophobicContact CD1-CB 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.16Å; Y202-E206 HydrophobicContact CE1-CB 3.92Å; Y202-E206 HydrophobicContact CG-CB 4.2Å; A203-E206 PolarHBondContact N-OE2 3.26Å; A203-E206 PolarHBondContact O-N 3.12Å | ||
| 207 | R | 37.6 | Very low | 35.4 | Very low | 201 Ų | 201 | 127.1 Ų | 127.1 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | -71.8 | 123.2 | 172.2 | -170.1 | 174.8 | -168.1 | -117.5 | 2.8 | 108.3 | G205 D209 E210 | G205-R207 PolarHBondContact O-N 3.47Å; G205-R207 VanDerWaalsContact O-N 3.14Å; R207-D209 PolarHBondContact O-N 3.2Å; R207-E210 IonicContact NH1-OE1 3.47Å | ||
| 208 | A | 39 | Very low | 35.5 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -45.9 | 111.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E210 | A208-E210 PolarHBondContact O-N 2.99Š| ||
| 209 | D | 41.7 | Very low | 35.7 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -57.2 | 119.7 | -173.6 | 7.9 | -44.7 | 0 | 0 | 0 | 109.2 | R207 G211 | R207-D209 PolarHBondContact O-N 3.2Å; D209-G211 PolarHBondContact O-N 3.3Å | ||
| 210 | E | 39.1 | Very low | 35.7 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -48.5 | 133.3 | 177.1 | -81.8 | 162.3 | 166.2 | 0 | 0 | 110.4 | R207 A208 Y212 | R207-E210 IonicContact NH1-OE1 3.47Å; A208-E210 PolarHBondContact O-N 2.99Å; E210-Y212 PolarHBondContact O-N 2.79Å | ||
| 211 | G | 33.8 | Very low | 35.9 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -43.3 | 127.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | D209 I213 | D209-G211 PolarHBondContact O-N 3.3Å; G211-I213 PolarHBondContact O-N 3.03Å | ||
| 212 | Y | 34.4 | Very low | 36.1 | Very low | 215 Ų | 215 | 135.6 Ų | 135.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -55.8 | 103.9 | 174.3 | -145.6 | -93.8 | 0 | 0 | 0 | 109.5 | E210 M214 | E210-Y212 PolarHBondContact O-N 2.79Å; Y212-M214 HydrophobicContact CD1-CG 4.45Å; Y212-M214 PolarHBondContact O-N 3.1Å; Y212-M214 VanDerWaalsContact O-N 3.12Å | ||
| 213 | I | 30.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 103.7 | 168.7 | -58.3 | 176.6 | 0 | 0 | 0 | 105.8 | G211 | G211-I213 PolarHBondContact O-N 3.03Š| ||
| 214 | M | 32.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -67.7 | 138.5 | 171.3 | -52.7 | -153.9 | -64.6 | 0 | 0 | 108.5 | Y212 | Y212-M214 HydrophobicContact CD1-CG 4.45Å; Y212-M214 PolarHBondContact O-N 3.1Å; Y212-M214 VanDerWaalsContact O-N 3.12Å | ||
| 215 | P | 44.1 | Very low | 36.7 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 100% | 1.279 | 78% | 0.783 | S | S | * | * | trans | -62.3 | 0 | -174.9 | 26.6 | -35.2 | 0 | 0 | 0 | 113.7 |
Retrieved 215 of 215 residues in 142.2 ms
(Link to these results)