| 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 | V | 41.2 | Very low | 47.8 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 100% | 1.127 | 82% | 0.815 | S | S | * | * | 0 | 75.9 | 0 | -164.2 | 0 | 0 | 0 | 0 | 107.3 | M3 | V1-M3 HydrophobicContact CG1-CB 4.41Š| |||
| 2 | R | 52.7 | Low | 47.9 | Very low | 261 Ų | 261 | 155.8 Ų | 155.8 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | cis | 55.1 | 44.5 | 47.8 | -131 | -175.8 | -163.3 | -172.6 | 4.9 | 113.6 | ||||
| 3 | M | 44 | Very low | 47.9 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 73% | 0.729 | 82% | 0.816 | S | S | * | * | trans | -152.7 | 23.3 | 173.3 | -136.3 | -177.1 | 98.9 | 0 | 0 | 114.8 | V1 | V1-M3 HydrophobicContact CG1-CB 4.41Š| ||
| 4 | L | 47.1 | Very low | 48.2 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -118.6 | 1.4 | 176 | -81.5 | 162.7 | 0 | 0 | 0 | 113.6 | ||
| 5 | L | 49 | Very low | 48.1 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -109.9 | 15.3 | -174.4 | -120.6 | 138.6 | 0 | 0 | 0 | 113.2 | ||
| 6 | H | 47.9 | Very low | 48 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -119 | -0.5 | -179.5 | -72.9 | 9.3 | 0 | 0 | 0 | 113.7 | ||
| 7 | L | 48.1 | Very low | 47.8 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -94.8 | -9.1 | -177.8 | -90.9 | 146.7 | 0 | 0 | 0 | 114.1 | ||
| 8 | S | 51 | Low | 47.3 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -95.6 | -1.1 | -179.4 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 9 | L | 47.2 | Very low | 47 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -110.1 | 1.8 | -177 | -102.8 | 105.9 | 0 | 0 | 0 | 115.9 | ||
| 10 | L | 46.9 | Very low | 46.7 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -99.5 | 4 | -179.2 | -90 | 154.4 | 0 | 0 | 0 | 114.6 | ||
| 11 | A | 51.2 | Low | 46.7 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -96.1 | 8.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 12 | L | 48.6 | Very low | 46.9 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -117.5 | 36.6 | 173.9 | -88.7 | 119.5 | 0 | 0 | 0 | 111.8 | A14 | L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.31Å; L12-A14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | G | 47.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -79.3 | 80.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A15 | G13-A15 PolarHBondContact O-N 3.38Š|
| 14 | A | 52.4 | Low | 48 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | 10.5 | 95.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116 | L12 Y16 | L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.31Å; L12-A14 VanDerWaalsContact O-N 3.11Å; A14-Y16 PolarHBondContact O-N 3.41Å | ||
| 15 | A | 47 | Very low | 49.4 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -65.9 | 63.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109 | G13 M17 | G13-A15 PolarHBondContact O-N 3.38Å; A15-M17 PolarHBondContact O-N 2.82Å | ||
| 16 | Y | 45.8 | Very low | 50.8 | Low | 173 Ų | 173 | 123.8 Ų | 123.8 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -90.8 | 66.7 | 159.3 | -148.2 | -91.2 | 0 | 0 | 0 | 105.8 | A14 Y18 | A14-Y16 PolarHBondContact O-N 3.41Å; Y16-Y18 AromaticContact CD1-CD2 3.57Å; Y16-Y18 HydrophobicContact CD1-CD2 3.57Å; Y16-Y18 AromaticContact CD1-CE2 3.6Å; Y16-Y18 HydrophobicContact CD1-CE2 3.6Å; Y16-Y18 HydrophobicContact CD1-CG 4.23Å; Y16-Y18 HydrophobicContact CE1-CD1 4.41Å; Y16-Y18 AromaticContact CE1-CD2 3.87Å; Y16-Y18 HydrophobicContact CE1-CD2 3.87Å; Y16-Y18 HydrophobicContact CE1-CE1 4.23Å; Y16-Y18 AromaticContact CE1-CE2 3.65Å; Y16-Y18 HydrophobicContact CE1-CE2 3.65Å; Y16-Y18 HydrophobicContact CE1-CG 4.24Å; Y16-Y18 AromaticContact CE1-CZ 3.85Å; Y16-Y18 PolarHBondContact O-N 3.2Å | ||
| 17 | M | 44.3 | Very low | 52.7 | Low | 168 Ų | 168 | 120.4 Ų | 120.4 | 83% | 0.828 | 71% | 0.71 | S | S | * | * | trans | -61 | 96.1 | 156.5 | -72.1 | -67.5 | -74.3 | 0 | 0 | 103.9 | A15 A19 | A15-M17 PolarHBondContact O-N 2.82Å; M17-A19 VanDerWaalsContact C-N 3.32Å; M17-A19 PolarHBondContact O-N 3.22Å | ||
| 18 | Y | 40.2 | Very low | 54.8 | Low | 179 Ų | 179 | 115.7 Ų | 115.7 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | -45.1 | 113 | 156.7 | -95.1 | -91.4 | 0 | 0 | 0 | 104.4 | Y16 V20 | Y16-Y18 AromaticContact CD1-CD2 3.57Å; Y16-Y18 HydrophobicContact CD1-CD2 3.57Å; Y16-Y18 AromaticContact CD1-CE2 3.6Å; Y16-Y18 HydrophobicContact CD1-CE2 3.6Å; Y16-Y18 HydrophobicContact CD1-CG 4.23Å; Y16-Y18 HydrophobicContact CE1-CD1 4.41Å; Y16-Y18 AromaticContact CE1-CD2 3.87Å; Y16-Y18 HydrophobicContact CE1-CD2 3.87Å; Y16-Y18 HydrophobicContact CE1-CE1 4.23Å; Y16-Y18 AromaticContact CE1-CE2 3.65Å; Y16-Y18 HydrophobicContact CE1-CE2 3.65Å; Y16-Y18 HydrophobicContact CE1-CG 4.24Å; Y16-Y18 AromaticContact CE1-CZ 3.85Å; Y16-Y18 PolarHBondContact O-N 3.2Å; Y18-V20 PolarHBondContact O-N 3.18Å | ||
| 19 | A | 41.1 | Very low | 56.8 | Low | 90 Ų | 90 | 112 Ų | 112 | 74% | 0.744 | 67% | 0.665 | S | S | * | * | trans | -60.9 | 87.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 103.9 | M17 P21 | M17-A19 VanDerWaalsContact C-N 3.32Å; M17-A19 PolarHBondContact O-N 3.22Å; A19-P21 WeakPolarHBondContact O-CD 3.45Å | ||
| 20 | V | 40.3 | Very low | 59.2 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | trans | -52.6 | 114.9 | 159.8 | 178.9 | 0 | 0 | 0 | 0 | 101.9 | Y18 T22 | Y18-V20 PolarHBondContact O-N 3.18Å; V20-T22 PolarHBondContact O-N 3.08Å | ||
| 21 | P | 47.3 | Very low | 61.6 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | trans | -50.8 | 115.6 | 173.8 | -20 | 30.9 | 0 | 0 | 0 | 104.1 | A19 E23 | A19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-E23 PolarHBondContact O-N 3.21Å | ||
| 22 | T | 45 | Very low | 63.7 | Low | 135 Ų | 135 | 106.2 Ų | 106.2 | 83% | 0.828 | 62% | 0.615 | S | S | * | * | trans | -60.4 | 95.6 | 174.6 | 22.2 | 0 | 0 | 0 | 0 | 104.2 | V20 I24 | V20-T22 PolarHBondContact O-N 3.08Å; T22-I24 PolarHBondContact O-N 3.45Å | ||
| 23 | E | 57.5 | Low | 66 | Low | 178 Ų | 178 | 98.4 Ų | 98.4 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | trans | -55.4 | 113 | 177 | -73.2 | -169.8 | 162.3 | 0 | 0 | 104.4 | P21 P25 | P21-E23 PolarHBondContact O-N 3.21Å; E23-P25 VanDerWaalsContact O-CD 3.29Å; E23-P25 WeakPolarHBondContact O-CD 3.49Å | ||
| 24 | I | 61.3 | Low | 68.4 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | trans | -54.4 | 121.9 | 174.8 | -62.8 | 171.7 | 0 | 0 | 0 | 104.5 | T22 T26 A28 L29 | T22-I24 PolarHBondContact O-N 3.45Å; I24-T26 PolarHBondContact O-N 3.43Å; I24-T26 VanDerWaalsContact O-N 3.13Å; I24-A28 HydrophobicContact CG2-CB 4.04Å; I24-L29 HydrophobicContact CG2-CB 4.15Å | ||
| 25 | P | 76.9 | Confident | 70.6 | Confident | 80 Ų | 80 | 98.9 Ų | 98.9 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | trans | -50.2 | 128.8 | 179.5 | -27.7 | 34.1 | 0 | 0 | 0 | 108.5 | E23 S27 A28 L29 | E23-P25 VanDerWaalsContact O-CD 3.29Å; E23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-S27 PolarHBondContact O-N 3.06Å; P25-A28 HydrophobicContact CB-CB 4.41Å; P25-A28 WeakPolarHBondContact O-CA 3.38Å; P25-A28 WeakPolarHBondContact O-CB 3.41Å; P25-A28 PolarHBondContact O-N 3.22Å; P25-L29 PolarHBondContact O-N 3.37Å; P25-L29 VanDerWaalsContact O-N 3.12Å | ||
| 26 | T | 79.9 | Confident | 73 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 32% | 0.319 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -52.2 | -32.1 | -175.8 | -43.8 | 0 | 0 | 0 | 0 | 110.9 | I24 L29 V30 Y97 | I24-T26 PolarHBondContact O-N 3.43Å; I24-T26 VanDerWaalsContact O-N 3.13Å; T26-L29 PolarHBondContact O-N 3.21Å; T26-V30 HydrophobicContact CG2-CG2 4.45Å; T26-V30 WeakPolarHBondContact O-CB 3.5Å; T26-V30 VanDerWaalsContact O-CG2 3.23Å; T26-V30 WeakPolarHBondContact O-CG2 3.45Å; T26-V30 PolarHBondContact O-N 3Å; T26-Y97 HydrophobicContact CG2-CD1 4.19Å; T26-Y97 HydrophobicContact CG2-CE1 4.32Å; T26-Y97 HydrophobicContact CG2-CG 4.32Å |
| 27 | S | 87.6 | Confident | 75.4 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 173.3 | 57 | 0 | 0 | 0 | 0 | 114.3 | P25 K31 | P25-S27 PolarHBondContact O-N 3.06Å; S27-K31 WeakPolarHBondContact O-CB 3.49Å; S27-K31 PolarHBondContact O-N 3.26Å |
| 28 | A | 91.4 | Very high | 78 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I24 P25 K31 E32 | I24-A28 HydrophobicContact CG2-CB 4.04Å; P25-A28 HydrophobicContact CB-CB 4.41Å; P25-A28 WeakPolarHBondContact O-CA 3.38Å; P25-A28 WeakPolarHBondContact O-CB 3.41Å; P25-A28 PolarHBondContact O-N 3.22Å; A28-K31 PolarHBondContact O-N 3.3Å; A28-E32 WeakPolarHBondContact O-CB 3.32Å; A28-E32 PolarHBondContact O-N 3.39Å |
| 29 | L | 93.9 | Very high | 80.7 | Confident | 14 Ų | 14 | 83.7 Ų | 83.7 | 7% | 0.073 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.6 | -174.4 | 69.9 | 0 | 0 | 0 | 111.5 | I24 P25 T26 E32 T33 N90 L93 I94 | I24-L29 HydrophobicContact CG2-CB 4.15Å; P25-L29 PolarHBondContact O-N 3.37Å; P25-L29 VanDerWaalsContact O-N 3.12Å; T26-L29 PolarHBondContact O-N 3.21Å; L29-E32 PolarHBondContact O-N 2.93Å; L29-T33 WeakPolarHBondContact O-CB 3.24Å; L29-T33 PolarHBondContact O-N 3.41Å; L29-T33 PolarHBondContact O-OG1 2.73Å; L29-N90 HydrophobicContact CD1-CB 4.02Å; L29-N90 VanDerWaalsContact CD1-CG 3.49Å; L29-L93 HydrophobicContact CD1-CD1 4.38Å; L29-L93 HydrophobicContact CD2-CB 3.81Å; L29-L93 HydrophobicContact CD2-CD1 4.42Å; L29-I94 HydrophobicContact CD2-CG1 3.91Å; L29-I94 HydrophobicContact CG-CG1 4.37Å |
| 30 | V | 95.9 | Very high | 83.3 | Confident | 58 Ų | 58 | 80 Ų | 80 | 35% | 0.352 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177 | 168.7 | 0 | 0 | 0 | 0 | 111 | T26 E32 T33 L34 I94 | T26-V30 HydrophobicContact CG2-CG2 4.45Å; T26-V30 WeakPolarHBondContact O-CB 3.5Å; T26-V30 VanDerWaalsContact O-CG2 3.23Å; T26-V30 WeakPolarHBondContact O-CG2 3.45Å; T26-V30 PolarHBondContact O-N 3Å; V30-E32 PolarHBondContact O-N 3.02Å; V30-T33 PolarHBondContact O-N 2.93Å; V30-L34 HydrophobicContact CG1-CD1 4.17Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.31Å; V30-I94 HydrophobicContact CG2-CD1 3.99Å; V30-I94 HydrophobicContact CG2-CG1 4.35Å |
| 31 | K | 97.2 | Very high | 85.9 | Confident | 162 Ų | 162 | 83 Ų | 83 | 70% | 0.704 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 177.8 | -174.5 | 178.6 | -179.2 | -179.7 | 0 | 112 | S27 A28 L34 A35 | S27-K31 WeakPolarHBondContact O-CB 3.49Å; S27-K31 PolarHBondContact O-N 3.26Å; A28-K31 PolarHBondContact O-N 3.3Å; K31-L34 PolarHBondContact O-N 3.36Å; K31-A35 PolarHBondContact O-N 3.47Å |
| 32 | E | 96.3 | Very high | 88.2 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 175 | -178.9 | -174.5 | -153.6 | 0 | 0 | 111.7 | A28 L29 V30 L34 A35 L36 R86 N90 | A28-E32 WeakPolarHBondContact O-CB 3.32Å; A28-E32 PolarHBondContact O-N 3.39Å; L29-E32 PolarHBondContact O-N 2.93Å; V30-E32 PolarHBondContact O-N 3.02Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.48Å; E32-A35 WeakPolarHBondContact O-CB 3.18Å; E32-A35 PolarHBondContact O-N 2.71Å; E32-A35 VanDerWaalsContact O-N 3.12Å; E32-L36 HydrophobicContact CG-CD1 4.05Å; E32-L36 HydrophobicContact CG-CG 4.45Å; E32-L36 WeakPolarHBondContact O-CG 3.41Å; E32-L36 PolarHBondContact O-N 3.21Å; E32-R86 IonicContact OE1-CZ 2.96Å; E32-R86 IonicContact OE1-NE 2.92Å; E32-R86 PolarHBondContact OE1-NE 3.47Å; E32-R86 IonicContact OE1-NH2 3.12Å; E32-R86 PolarHBondContact OE1-NH2 3.1Å; E32-N90 PolarHBondContact OE2-ND2 2.98Å |
| 33 | T | 97.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 81.1 Ų | 81.1 | 6% | 0.055 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 179.5 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | L29 V30 L36 L37 L87 N90 L91 I94 | L29-T33 WeakPolarHBondContact O-CB 3.24Å; L29-T33 PolarHBondContact O-N 3.41Å; L29-T33 PolarHBondContact O-OG1 2.73Å; V30-T33 PolarHBondContact O-N 2.93Å; T33-L36 PolarHBondContact O-N 2.92Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 PolarHBondContact O-N 3.21Å; T33-L87 HydrophobicContact CG2-CD1 3.83Å; T33-N90 HydrophobicContact CG2-CB 4.22Å; T33-N90 VanDerWaalsContact OG1-CB 3.25Å; T33-N90 WeakPolarHBondContact OG1-CB 3.44Å; T33-N90 PolarHBondContact OG1-ND2 3.24Å; T33-L91 HydrophobicContact CG2-CD2 3.73Å; T33-L91 HydrophobicContact CG2-CG 3.95Å; T33-I94 HydrophobicContact CG2-CD1 4.11Å |
| 34 | L | 98.2 | Very high | 92.3 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 58% | 0.581 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 174.2 | -74 | 169.8 | 0 | 0 | 0 | 112.1 | V30 K31 E32 L37 S38 | V30-L34 HydrophobicContact CG1-CD1 4.17Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.31Å; K31-L34 PolarHBondContact O-N 3.36Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-S38 PolarHBondContact O-N 3.47Å |
| 35 | A | 97.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 74 Ų | 74 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K31 E32 L37 S38 T39 | K31-A35 PolarHBondContact O-N 3.47Å; E32-A35 WeakPolarHBondContact O-CB 3.18Å; E32-A35 PolarHBondContact O-N 2.71Å; E32-A35 VanDerWaalsContact O-N 3.12Å; A35-L37 PolarHBondContact O-N 2.84Å; A35-S38 WeakPolarHBondContact O-CB 3.35Å; A35-S38 PolarHBondContact O-N 3.24Å; A35-T39 PolarHBondContact O-N 3.11Å; A35-T39 PolarHBondContact O-OG1 3.08Å; A35-T39 VanDerWaalsContact O-OG1 3.11Å |
| 36 | L | 97.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.2 | -71.5 | 169.3 | 0 | 0 | 0 | 111.9 | E32 T33 S38 T39 H40 R86 L87 | E32-L36 HydrophobicContact CG-CD1 4.05Å; E32-L36 HydrophobicContact CG-CG 4.45Å; E32-L36 WeakPolarHBondContact O-CG 3.41Å; E32-L36 PolarHBondContact O-N 3.21Å; T33-L36 PolarHBondContact O-N 2.92Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.06Å; L36-T39 PolarHBondContact O-N 3.49Å; L36-H40 PolarHBondContact O-N 3.29Å; L36-H40 PolarHBondContact O-ND1 3.29Å; L36-R86 HydrophobicContact CD1-CB 4.16Å; L36-R86 HydrophobicContact CD1-CG 3.82Å; L36-L87 HydrophobicContact CB-CB 4.12Å; L36-L87 HydrophobicContact CB-CD1 3.97Å |
| 37 | L | 97.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.3 | 179.7 | 63.9 | 0 | 0 | 0 | 111.3 | T33 L34 A35 R41 L44 L87 | T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 PolarHBondContact O-N 3.21Å; L34-L37 PolarHBondContact O-N 3.35Å; A35-L37 PolarHBondContact O-N 2.84Å; L37-R41 PolarHBondContact O-N 3.34Å; L37-L44 HydrophobicContact CD1-CD1 3.77Å; L37-L87 HydrophobicContact CB-CD1 4.11Å; L37-L87 HydrophobicContact CD1-CD2 4.35Å |
| 38 | S | 97.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 77.7 Ų | 77.7 | 63% | 0.629 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62 | -50.6 | 175.9 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | L34 A35 L36 H40 R41 | L34-S38 PolarHBondContact O-N 3.47Å; A35-S38 WeakPolarHBondContact O-CB 3.35Å; A35-S38 PolarHBondContact O-N 3.24Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.06Å; S38-H40 VanDerWaalsContact C-N 3.31Å; S38-H40 PolarHBondContact O-N 3.19Å; S38-R41 WeakPolarHBondContact O-CB 3.39Å; S38-R41 PolarHBondContact O-N 2.92Å |
| 39 | T | 97.1 | Very high | 95.8 | Very high | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | -178.9 | -59 | 0 | 0 | 0 | 0 | 112.9 | A35 L36 | A35-T39 PolarHBondContact O-N 3.11Å; A35-T39 PolarHBondContact O-OG1 3.08Å; A35-T39 VanDerWaalsContact O-OG1 3.11Å; L36-T39 PolarHBondContact O-N 3.49Å |
| 40 | H | 95.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 82.6 Ų | 82.6 | 6% | 0.06 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.9 | -176.6 | -62.6 | 88 | 0 | 0 | 0 | 113.6 | L36 S38 T42 L43 L44 T83 V84 L87 | L36-H40 PolarHBondContact O-N 3.29Å; L36-H40 PolarHBondContact O-ND1 3.29Å; S38-H40 VanDerWaalsContact C-N 3.31Å; S38-H40 PolarHBondContact O-N 3.19Å; H40-T42 VanDerWaalsContact C-N 3.3Å; H40-T42 PolarHBondContact O-N 3.41Å; H40-L43 WeakPolarHBondContact O-CB 3.43Å; H40-L43 PolarHBondContact O-N 3.21Å; H40-L44 HydrophobicContact CB-CD1 4.18Å; H40-L44 HydrophobicContact CB-CG 4.31Å; H40-L44 WeakPolarHBondContact O-CG 3.26Å; H40-L44 PolarHBondContact O-N 2.77Å; H40-T83 PolarHBondContact CE1-O 3.19Å; H40-T83 PolarHBondContact CE1-OG1 3.39Å; H40-T83 WeakPolarHBondContact NE2-CB 3.4Å; H40-T83 PolarHBondContact NE2-OG1 3.48Å; H40-V84 HydrophobicContact CB-CG2 4.29Å; H40-V84 PolarHBondContact NE2-N 3.2Å; H40-L87 HydrophobicContact CB-CD2 4.43Å |
| 41 | R | 95.9 | Very high | 95.9 | Very high | 173 Ų | 173 | 90.3 Ų | 90.3 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -53.5 | -45.4 | -173.9 | -169.9 | 176.7 | -176 | 111.5 | 0.4 | 112.9 | L37 S38 L43 L44 I45 | L37-R41 PolarHBondContact O-N 3.34Å; S38-R41 WeakPolarHBondContact O-CB 3.39Å; S38-R41 PolarHBondContact O-N 2.92Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.25Å; R41-L44 PolarHBondContact O-N 3.39Å; R41-I45 HydrophobicContact CG-CG2 4.49Å; R41-I45 WeakPolarHBondContact O-CG1 3.42Å; R41-I45 WeakPolarHBondContact O-CG2 3.37Å; R41-I45 PolarHBondContact O-N 2.99Å |
| 42 | T | 94.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 85.3 Ų | 85.3 | 72% | 0.718 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | 179.6 | -50.7 | 0 | 0 | 0 | 0 | 112.6 | H40 | H40-T42 VanDerWaalsContact C-N 3.3Å; H40-T42 PolarHBondContact O-N 3.41Å |
| 43 | L | 94.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 87.3 Ų | 87.3 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -47 | 175.5 | 175.3 | 67.2 | 0 | 0 | 0 | 110.8 | H40 R41 I45 G46 T78 V84 | H40-L43 WeakPolarHBondContact O-CB 3.43Å; H40-L43 PolarHBondContact O-N 3.21Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.25Å; L43-I45 VanDerWaalsContact C-N 3.31Å; L43-I45 PolarHBondContact O-N 2.99Å; L43-G46 PolarHBondContact O-N 3.23Å; L43-G46 VanDerWaalsContact O-N 3.08Å; L43-T78 HydrophobicContact CD2-CG2 4.15Å; L43-T78 HydrophobicContact CG-CG2 4.33Å; L43-V84 HydrophobicContact CD2-CB 3.97Å; L43-V84 HydrophobicContact CD2-CG1 4.16Å; L43-V84 HydrophobicContact CD2-CG2 3.93Å |
| 44 | L | 94.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 92.7 Ų | 92.7 | 11% | 0.11 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -68 | -28.3 | -174 | -64.1 | 169.9 | 0 | 0 | 0 | 113.2 | L37 H40 R41 G46 L74 T78 V84 L87 F88 | L37-L44 HydrophobicContact CD1-CD1 3.77Å; H40-L44 HydrophobicContact CB-CD1 4.18Å; H40-L44 HydrophobicContact CB-CG 4.31Å; H40-L44 WeakPolarHBondContact O-CG 3.26Å; H40-L44 PolarHBondContact O-N 2.77Å; R41-L44 PolarHBondContact O-N 3.39Å; L44-G46 VanDerWaalsContact C-N 3.32Å; L44-L74 HydrophobicContact CB-CD2 4.49Å; L44-L74 HydrophobicContact CD2-CD2 4.04Å; L44-L74 HydrophobicContact CD2-CG 4.17Å; L44-T78 HydrophobicContact CD2-CG2 4.31Å; L44-V84 HydrophobicContact CD2-CG2 4.26Å; L44-L87 HydrophobicContact CD1-CD2 3.76Å; L44-F88 HydrophobicContact CD2-CZ 3.91Å |
| 45 | I | 95.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 89.7 Ų | 89.7 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.9 | 174.9 | 69.4 | -179.1 | 0 | 0 | 0 | 113.3 | R41 L43 N47 | R41-I45 HydrophobicContact CG-CG2 4.49Å; R41-I45 WeakPolarHBondContact O-CG1 3.42Å; R41-I45 WeakPolarHBondContact O-CG2 3.37Å; R41-I45 PolarHBondContact O-N 2.99Å; L43-I45 VanDerWaalsContact C-N 3.31Å; L43-I45 PolarHBondContact O-N 2.99Å; I45-N47 PolarHBondContact O-N 2.87Å |
| 46 | G | 92.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 94.3 Ų | 94.3 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | trans | -63.4 | -22.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L43 L44 | L43-G46 PolarHBondContact O-N 3.23Å; L43-G46 VanDerWaalsContact O-N 3.08Å; L44-G46 VanDerWaalsContact C-N 3.32Å | ||
| 47 | N | 93.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 97 Ų | 97 | 33% | 0.332 | 53% | 0.528 | S | S | . | . | trans | -95.9 | 91.8 | 171.3 | -173.4 | -13.6 | 0 | 0 | 0 | 110.6 | I45 T49 L50 | I45-N47 PolarHBondContact O-N 2.87Å; N47-T49 PolarHBondContact O-N 3.41Å; N47-T49 PolarHBondContact OD1-N 3.04Å; N47-T49 PolarHBondContact OD1-OG1 3.14Å; N47-L50 HydrophobicContact CB-CB 4.26Å; N47-L50 PolarHBondContact O-N 2.99Å; N47-L50 PolarHBondContact OD1-N 3.04Å | ||
| 48 | E | 92.6 | Very high | 95 | Very high | 180 Ų | 180 | 101.7 Ų | 101.7 | 84% | 0.841 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | -176.8 | -60.3 | -175.1 | 169.3 | 0 | 0 | 114.3 | ||
| 49 | T | 95.8 | Very high | 94.7 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 71% | 0.712 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -17.3 | -179 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | N47 R51 | N47-T49 PolarHBondContact O-N 3.41Å; N47-T49 PolarHBondContact OD1-N 3.04Å; N47-T49 PolarHBondContact OD1-OG1 3.14Å; T49-R51 PolarHBondContact O-N 3.48Å |
| 50 | L | 95.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 100.6 Ų | 100.6 | 25% | 0.251 | 52% | 0.522 | S | S | . | . | trans | -65.7 | 129.5 | -175.5 | -173.2 | 61.1 | 0 | 0 | 0 | 110.8 | N47 I52 T73 L74 Q77 | N47-L50 HydrophobicContact CB-CB 4.26Å; N47-L50 PolarHBondContact O-N 2.99Å; N47-L50 PolarHBondContact OD1-N 3.04Å; L50-I52 HydrophobicContact CD2-CD1 3.89Å; L50-I52 HydrophobicContact CD2-CG1 4.24Å; L50-I52 HydrophobicContact CG-CD1 4.29Å; L50-I52 HydrophobicContact CG-CG1 4.1Å; L50-T73 HydrophobicContact CD1-CG2 4Å; L50-L74 HydrophobicContact CD2-CD1 4.17Å; L50-Q77 HydrophobicContact CD1-CG 4.13Å; L50-Q77 HydrophobicContact CD2-CB 4.19Å; L50-Q77 HydrophobicContact CD2-CG 4.13Å | ||
| 51 | R | 96.7 | Very high | 94.4 | Very high | 220 Ų | 220 | 108.1 Ų | 108.1 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | trans | -112.6 | 121.1 | 175.8 | -60.1 | -60.5 | -176.1 | 155.1 | -0.9 | 109.2 | T49 | T49-R51 PolarHBondContact O-N 3.48Š| ||
| 52 | I | 97.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 104.4 Ų | 104.4 | 29% | 0.292 | 55% | 0.55 | S | S | . | . | trans | -120.8 | 135.2 | 177.3 | -62.8 | 173.4 | 0 | 0 | 0 | 107.6 | L50 V54 G70 T73 L74 | L50-I52 HydrophobicContact CD2-CD1 3.89Å; L50-I52 HydrophobicContact CD2-CG1 4.24Å; L50-I52 HydrophobicContact CG-CD1 4.29Å; L50-I52 HydrophobicContact CG-CG1 4.1Å; I52-V54 PolarHBondContact O-N 3.3Å; I52-G70 VanDerWaalsContact CG2-CA 3.47Å; I52-T73 HydrophobicContact CG1-CG2 4.39Å; I52-L74 HydrophobicContact CD1-CB 3.92Å; I52-L74 HydrophobicContact CD1-CD1 4.21Å | ||
| 53 | P | 95.6 | Very high | 94.5 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | trans | -56.9 | 133.5 | 174.8 | -24.4 | 34.4 | 0 | 0 | 0 | 111.9 | ||||
| 54 | V | 97.2 | Very high | 94.6 | Very high | 122 Ų | 122 | 96.4 Ų | 96.4 | 74% | 0.739 | 51% | 0.505 | S | S | * | . | trans | -123.4 | 120 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | I52 V56 | I52-V54 PolarHBondContact O-N 3.3Å; V54-V56 PolarHBondContact O-N 3.23Å | ||
| 55 | P | 95.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 100.9 Ų | 100.9 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | trans | -57.3 | 135 | 176.5 | -26.4 | 35.4 | 0 | 0 | 0 | 111.9 | H57 C63 | P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 PolarHBondContact O-N 3.2Å; P55-C63 HydrophobicContact CB-CB 4.25Å; P55-C63 HydrophobicContact CG-CB 3.6Å | ||
| 56 | V | 94.9 | Very high | 94.8 | Very high | 152 Ų | 152 | 99.6 Ų | 99.6 | 92% | 0.921 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -78.3 | -14.1 | -178.9 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | V54 | V54-V56 PolarHBondContact O-N 3.23Š|
| 57 | H | 91 | Very high | 95.1 | Very high | 79 Ų | 79 | 99.8 Ų | 99.8 | 37% | 0.366 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -115.3 | 164.9 | -179.7 | 63.8 | 57.2 | 0 | 0 | 0 | 111.9 | P55 H59 C63 | P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 PolarHBondContact O-N 3.2Å; H57-H59 PolarHBondContact ND1-N 3.42Å; H57-C63 PolarHBondContact CE1-SG 3.26Å |
| 58 | K | 91.2 | Very high | 95.3 | Very high | 181 Ų | 181 | 98.1 Ų | 98.1 | 79% | 0.787 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -91.9 | 5.2 | -176.3 | -63.9 | -178.3 | -178.9 | 174 | 0 | 115.2 | H60 | K58-H60 PolarHBondContact O-CE1 3.47Å; K58-H60 VanDerWaalsContact O-CE1 3.3Å; K58-H60 PolarHBondContact O-N 2.72Å; K58-H60 PolarHBondContact O-ND1 3.35Å |
| 59 | H | 92 | Very high | 95.5 | Very high | 44 Ų | 44 | 95.9 Ų | 95.9 | 20% | 0.204 | 48% | 0.483 | C | S | . | . | trans | -76.2 | 68.2 | 175.3 | -55.3 | -53.4 | 0 | 0 | 0 | 112.3 | H57 Q61 L62 W130 | H57-H59 PolarHBondContact ND1-N 3.42Å; H59-Q61 PolarHBondContact O-N 2.99Å; H59-Q61 VanDerWaalsContact O-N 3.1Å; H59-L62 HydrophobicContact CB-CB 4.48Å; H59-L62 HydrophobicContact CB-CD1 3.62Å; H59-L62 HydrophobicContact CB-CG 3.89Å; H59-L62 WeakPolarHBondContact O-CB 3.46Å; H59-L62 PolarHBondContact O-N 2.98Å; H59-W130 VanDerWaalsContact CE1-CB 3.49Å; H59-W130 WeakPolarHBondContact CE1-CB 3.16Å; H59-W130 AromaticContact CE1-CD1 3.63Å; H59-W130 AromaticContact CE1-CD2 3.94Å; H59-W130 AromaticContact CE1-CG 3.37Å; H59-W130 AromaticContact ND1-CD1 3.58Å; H59-W130 AromaticContact ND1-CD2 3.82Å; H59-W130 AromaticContact ND1-CE2 3.97Å; H59-W130 AromaticContact ND1-CG 3.6Å; H59-W130 AromaticContact ND1-NE1 3.79Å | ||
| 60 | H | 93.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 90.6 Ų | 90.6 | 61% | 0.606 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -54.1 | -33.9 | -173.8 | -54.1 | 99.5 | 0 | 0 | 0 | 114 | K58 L62 C63 | K58-H60 PolarHBondContact O-CE1 3.47Å; K58-H60 VanDerWaalsContact O-CE1 3.3Å; K58-H60 PolarHBondContact O-N 2.72Å; K58-H60 PolarHBondContact O-ND1 3.35Å; H60-L62 PolarHBondContact O-N 3.25Å; H60-C63 PolarHBondContact O-N 2.88Å |
| 61 | Q | 92.9 | Very high | 95.7 | Very high | 171 Ų | 171 | 89.8 Ų | 89.8 | 80% | 0.799 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -63.6 | -28.3 | -179.2 | -64.4 | -179.4 | 4.9 | 0 | 0 | 112.7 | H59 C63 | H59-Q61 PolarHBondContact O-N 2.99Å; H59-Q61 VanDerWaalsContact O-N 3.1Å; Q61-C63 VanDerWaalsContact C-N 3.34Å |
| 62 | L | 94.6 | Very high | 95.7 | Very high | 95 Ų | 95 | 81 Ų | 81 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -74.7 | -25.2 | 178.3 | -57 | -177.6 | 0 | 0 | 0 | 112.6 | H59 H60 W130 | H59-L62 HydrophobicContact CB-CB 4.48Å; H59-L62 HydrophobicContact CB-CD1 3.62Å; H59-L62 HydrophobicContact CB-CG 3.89Å; H59-L62 WeakPolarHBondContact O-CB 3.46Å; H59-L62 PolarHBondContact O-N 2.98Å; H60-L62 PolarHBondContact O-N 3.25Å; L62-W130 HydrophobicContact CD1-CH2 3.92Å; L62-W130 HydrophobicContact CD1-CZ3 4.07Å; L62-W130 HydrophobicContact CD2-CH2 3.93Å; L62-W130 HydrophobicContact CD2-CZ2 4.41Å; L62-W130 HydrophobicContact CG-CH2 4.33Å |
| 63 | C | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 80.9 Ų | 80.9 | 10% | 0.095 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -110.7 | 24.2 | -172.2 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | P55 H57 H60 Q61 E65 E66 I67 | P55-C63 HydrophobicContact CB-CB 4.25Å; P55-C63 HydrophobicContact CG-CB 3.6Å; H57-C63 PolarHBondContact CE1-SG 3.26Å; H60-C63 PolarHBondContact O-N 2.88Å; Q61-C63 VanDerWaalsContact C-N 3.34Å; C63-E65 PolarHBondContact O-N 3.3Å; C63-E66 VanDerWaalsContact CA-OE2 3.24Å; C63-E66 WeakPolarHBondContact CA-OE2 3.14Å; C63-E66 PolarHBondContact O-N 2.96Å; C63-I67 HydrophobicContact CB-CD1 4.42Å; C63-I67 WeakPolarHBondContact O-CB 3.49Å; C63-I67 WeakPolarHBondContact O-CD1 3.43Å; C63-I67 WeakPolarHBondContact O-CG1 3.44Å; C63-I67 PolarHBondContact O-N 3.1Å |
| 64 | T | 97 | Very high | 95.8 | Very high | 21 Ų | 21 | 78.2 Ų | 78.2 | 13% | 0.129 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -34 | -176.2 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | F68 I98 K102 | T64-F68 WeakPolarHBondContact O-CD2 3.34Å; T64-F68 PolarHBondContact O-N 3.26Å; T64-F68 VanDerWaalsContact O-N 3.14Å; T64-I98 HydrophobicContact CG2-CG2 4.32Å; T64-K102 VanDerWaalsContact OG1-CE 3.27Å; T64-K102 WeakPolarHBondContact OG1-CE 3.27Å; T64-K102 PolarHBondContact OG1-NZ 3.48Å |
| 65 | E | 96.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 75.9 Ų | 75.9 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72 | -46.7 | -179.8 | -75.3 | 168.5 | -152.2 | 0 | 0 | 112 | C63 I67 F68 Q69 K102 | C63-E65 PolarHBondContact O-N 3.3Å; E65-I67 VanDerWaalsContact C-N 3.3Å; E65-I67 PolarHBondContact O-N 3.04Å; E65-F68 PolarHBondContact O-N 3.03Å; E65-Q69 WeakPolarHBondContact O-CB 3.47Å; E65-Q69 WeakPolarHBondContact O-CG 3.41Å; E65-Q69 PolarHBondContact O-N 3.32Å; E65-K102 IonicContact OE1-NZ 2.75Å; E65-K102 PolarHBondContact OE1-NZ 3Å |
| 66 | E | 98.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 77.5 Ų | 77.5 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.7 | -66.3 | 72 | -159.8 | 0 | 0 | 111.1 | C63 Q69 G70 | C63-E66 VanDerWaalsContact CA-OE2 3.24Å; C63-E66 WeakPolarHBondContact CA-OE2 3.14Å; C63-E66 PolarHBondContact O-N 2.96Å; E66-Q69 PolarHBondContact O-N 3.17Å; E66-G70 PolarHBondContact O-N 2.89Å |
| 67 | I | 98.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 75.4 Ų | 75.4 | 32% | 0.323 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 176 | -70.9 | 164.5 | 0 | 0 | 0 | 110.5 | C63 E65 G70 I71 | C63-I67 HydrophobicContact CB-CD1 4.42Å; C63-I67 WeakPolarHBondContact O-CB 3.49Å; C63-I67 WeakPolarHBondContact O-CD1 3.43Å; C63-I67 WeakPolarHBondContact O-CG1 3.44Å; C63-I67 PolarHBondContact O-N 3.1Å; E65-I67 VanDerWaalsContact C-N 3.3Å; E65-I67 PolarHBondContact O-N 3.04Å; I67-G70 PolarHBondContact O-N 3.11Å; I67-I71 HydrophobicContact CG2-CD1 4.06Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3.42Å |
| 68 | F | 98.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 72.3 Ų | 72.3 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.4 | -27.3 | -178.2 | -78.9 | -65.8 | 0 | 0 | 0 | 113.7 | T64 E65 I71 G72 L91 I94 K95 I98 | T64-F68 WeakPolarHBondContact O-CD2 3.34Å; T64-F68 PolarHBondContact O-N 3.26Å; T64-F68 VanDerWaalsContact O-N 3.14Å; E65-F68 PolarHBondContact O-N 3.03Å; F68-I71 HydrophobicContact CD1-CD1 3.62Å; F68-I71 HydrophobicContact CE1-CD1 3.79Å; F68-I71 HydrophobicContact CG-CD1 4.44Å; F68-I71 PolarHBondContact O-N 3.43Å; F68-G72 PolarHBondContact O-N 3.3Å; F68-L91 WeakPolarHBondContact CE1-O 3.4Å; F68-I94 HydrophobicContact CZ-CG2 4.26Å; F68-K95 HydrophobicContact CB-CD 3.95Å; F68-K95 HydrophobicContact CB-CG 4.41Å; F68-K95 HydrophobicContact CD1-CB 3.73Å; F68-K95 HydrophobicContact CD1-CD 3.83Å; F68-K95 HydrophobicContact CD1-CG 3.82Å; F68-K95 HydrophobicContact CD2-CB 4.25Å; F68-K95 HydrophobicContact CD2-CD 4.26Å; F68-K95 HydrophobicContact CD2-CG 3.78Å; F68-K95 HydrophobicContact CE1-CB 3.47Å; F68-K95 VanDerWaalsContact CE1-CB 3.47Å; F68-K95 HydrophobicContact CE1-CD 4.47Å; F68-K95 HydrophobicContact CE1-CG 4.02Å; F68-K95 HydrophobicContact CE2-CB 4.03Å; F68-K95 HydrophobicContact CE2-CG 3.98Å; F68-K95 HydrophobicContact CG-CB 4.14Å; F68-K95 HydrophobicContact CG-CD 3.74Å; F68-K95 HydrophobicContact CG-CG 3.72Å; F68-K95 HydrophobicContact CZ-CB 3.64Å; F68-K95 HydrophobicContact CZ-CG 4.1Å; F68-I98 HydrophobicContact CE2-CD1 3.68Å; F68-I98 HydrophobicContact CZ-CD1 3.97Å |
| 69 | Q | 97.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 67.3 Ų | 67.3 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 167.9 | -74 | 176.2 | 5.7 | 0 | 0 | 110.8 | E65 E66 I71 G72 T73 | E65-Q69 WeakPolarHBondContact O-CB 3.47Å; E65-Q69 WeakPolarHBondContact O-CG 3.41Å; E65-Q69 PolarHBondContact O-N 3.32Å; E66-Q69 PolarHBondContact O-N 3.17Å; Q69-I71 VanDerWaalsContact C-N 3.32Å; Q69-I71 PolarHBondContact O-N 2.85Å; Q69-G72 PolarHBondContact O-N 3.36Å; Q69-G72 VanDerWaalsContact O-N 3.1Å; Q69-T73 PolarHBondContact O-N 3.49Å; Q69-T73 PolarHBondContact O-OG1 3.24Å |
| 70 | G | 97.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 71 Ų | 71 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I52 E66 I67 T73 L74 | I52-G70 VanDerWaalsContact CG2-CA 3.47Å; E66-G70 PolarHBondContact O-N 2.89Å; I67-G70 PolarHBondContact O-N 3.11Å; G70-T73 PolarHBondContact O-N 2.93Å; G70-L74 WeakPolarHBondContact O-CB 3.31Å; G70-L74 PolarHBondContact O-N 3.49Å |
| 71 | I | 97.8 | Very high | 94 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 172.4 | -69.6 | 163.6 | 0 | 0 | 0 | 110.9 | I67 F68 Q69 T73 L74 E75 F88 L91 | I67-I71 HydrophobicContact CG2-CD1 4.06Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3.42Å; F68-I71 HydrophobicContact CD1-CD1 3.62Å; F68-I71 HydrophobicContact CE1-CD1 3.79Å; F68-I71 HydrophobicContact CG-CD1 4.44Å; F68-I71 PolarHBondContact O-N 3.43Å; Q69-I71 VanDerWaalsContact C-N 3.32Å; Q69-I71 PolarHBondContact O-N 2.85Å; I71-T73 VanDerWaalsContact C-N 3.35Å; I71-T73 PolarHBondContact O-N 3.3Å; I71-L74 PolarHBondContact O-N 3.43Å; I71-E75 WeakPolarHBondContact O-CB 3.46Å; I71-E75 PolarHBondContact O-N 2.68Å; I71-F88 HydrophobicContact CG2-CD1 4.21Å; I71-F88 HydrophobicContact CG2-CE1 4.46Å; I71-L91 HydrophobicContact CD1-CD1 4.26Å; I71-L91 HydrophobicContact CD1-CD2 4.08Å; I71-L91 HydrophobicContact CG1-CD1 4.4Å; I71-L91 HydrophobicContact CG2-CB 4.35Å; I71-L91 HydrophobicContact CG2-CD1 3.9Å |
| 72 | G | 97.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F68 Q69 S76 | F68-G72 PolarHBondContact O-N 3.3Å; Q69-G72 PolarHBondContact O-N 3.36Å; Q69-G72 VanDerWaalsContact O-N 3.1Å; G72-S76 PolarHBondContact O-N 2.92Å |
| 73 | T | 97.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 171.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | L50 I52 Q69 G70 I71 E75 S76 Q77 | L50-T73 HydrophobicContact CD1-CG2 4Å; I52-T73 HydrophobicContact CG1-CG2 4.39Å; Q69-T73 PolarHBondContact O-N 3.49Å; Q69-T73 PolarHBondContact O-OG1 3.24Å; G70-T73 PolarHBondContact O-N 2.93Å; I71-T73 VanDerWaalsContact C-N 3.35Å; I71-T73 PolarHBondContact O-N 3.3Å; T73-E75 PolarHBondContact O-N 2.86Å; T73-S76 PolarHBondContact O-N 2.99Å; T73-S76 PolarHBondContact O-OG 3.29Å; T73-Q77 WeakPolarHBondContact O-CG 3.25Å; T73-Q77 PolarHBondContact O-N 3.36Å |
| 74 | L | 96.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 179.2 | -173.8 | 61.2 | 0 | 0 | 0 | 112.1 | L44 L50 I52 G70 I71 S76 Q77 T78 F88 | L44-L74 HydrophobicContact CB-CD2 4.49Å; L44-L74 HydrophobicContact CD2-CD2 4.04Å; L44-L74 HydrophobicContact CD2-CG 4.17Å; L50-L74 HydrophobicContact CD2-CD1 4.17Å; I52-L74 HydrophobicContact CD1-CB 3.92Å; I52-L74 HydrophobicContact CD1-CD1 4.21Å; G70-L74 WeakPolarHBondContact O-CB 3.31Å; G70-L74 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 3.43Å; L74-S76 PolarHBondContact O-N 3.42Å; L74-Q77 PolarHBondContact O-N 3.41Å; L74-T78 WeakPolarHBondContact O-CB 3.3Å; L74-T78 PolarHBondContact O-N 2.9Å; L74-T78 VanDerWaalsContact O-N 3.08Å; L74-T78 PolarHBondContact O-OG1 2.99Å; L74-F88 HydrophobicContact CG-CZ 4.45Å |
| 75 | E | 95.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 64 Ų | 64 | 34% | 0.341 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 176.8 | -176.1 | 174.5 | -157.6 | 0 | 0 | 111.7 | I71 T73 Q77 T78 F88 | I71-E75 WeakPolarHBondContact O-CB 3.46Å; I71-E75 PolarHBondContact O-N 2.68Å; T73-E75 PolarHBondContact O-N 2.86Å; E75-Q77 PolarHBondContact O-N 3.32Å; E75-T78 PolarHBondContact O-N 3.44Å; E75-F88 HydrophobicContact CB-CD1 3.74Å; E75-F88 HydrophobicContact CB-CD2 4.41Å; E75-F88 HydrophobicContact CB-CE1 3.66Å; E75-F88 HydrophobicContact CB-CE2 4.33Å; E75-F88 HydrophobicContact CB-CG 4.14Å; E75-F88 HydrophobicContact CB-CZ 3.98Å; E75-F88 HydrophobicContact CG-CB 4.3Å; E75-F88 HydrophobicContact CG-CD1 3.95Å; E75-F88 HydrophobicContact CG-CD2 3.98Å; E75-F88 HydrophobicContact CG-CE1 4.25Å; E75-F88 HydrophobicContact CG-CE2 4.26Å; E75-F88 HydrophobicContact CG-CG 3.82Å; E75-F88 HydrophobicContact CG-CZ 4.4Å; E75-F88 WeakPolarHBondContact OE1-CB 3.46Å |
| 76 | S | 94.8 | Very high | 93 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 58% | 0.58 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.2 | -23.4 | 179.8 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | G72 T73 L74 | G72-S76 PolarHBondContact O-N 2.92Å; T73-S76 PolarHBondContact O-N 2.99Å; T73-S76 PolarHBondContact O-OG 3.29Å; L74-S76 PolarHBondContact O-N 3.42Å |
| 77 | Q | 91.5 | Very high | 93 | Very high | 108 Ų | 108 | 61.5 Ų | 61.5 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -100.8 | -8.5 | -179.2 | -62.4 | -59.6 | -58.3 | 0 | 0 | 112.9 | L50 T73 L74 E75 | L50-Q77 HydrophobicContact CD1-CG 4.13Å; L50-Q77 HydrophobicContact CD2-CB 4.19Å; L50-Q77 HydrophobicContact CD2-CG 4.13Å; T73-Q77 WeakPolarHBondContact O-CG 3.25Å; T73-Q77 PolarHBondContact O-N 3.36Å; L74-Q77 PolarHBondContact O-N 3.41Å; E75-Q77 PolarHBondContact O-N 3.32Å |
| 78 | T | 92.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -90.3 | 132.3 | -179.5 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | L43 L44 L74 E75 Q80 V84 F88 | L43-T78 HydrophobicContact CD2-CG2 4.15Å; L43-T78 HydrophobicContact CG-CG2 4.33Å; L44-T78 HydrophobicContact CD2-CG2 4.31Å; L74-T78 WeakPolarHBondContact O-CB 3.3Å; L74-T78 PolarHBondContact O-N 2.9Å; L74-T78 VanDerWaalsContact O-N 3.08Å; L74-T78 PolarHBondContact O-OG1 2.99Å; E75-T78 PolarHBondContact O-N 3.44Å; T78-Q80 PolarHBondContact O-N 2.89Å; T78-V84 HydrophobicContact CG2-CG1 4.28Å; T78-V84 HydrophobicContact CG2-CG2 4.11Å; T78-F88 HydrophobicContact CG2-CE2 4Å; T78-F88 HydrophobicContact CG2-CZ 4.4Å |
| 79 | A | 84.3 | Confident | 92.8 | Very high | 76 Ų | 76 | 64.3 Ų | 64.3 | 63% | 0.628 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 123.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 80 | Q | 80.5 | Confident | 92.8 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 147.4 | 180 | -64.5 | -70.9 | -28.7 | 0 | 0 | 110.3 | T78 | T78-Q80 PolarHBondContact O-N 2.89Š|
| 81 | G | 78.1 | Confident | 92.7 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 117.9 | 151.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | V84 E85 | G81-V84 WeakPolarHBondContact O-CG1 3.45Å; G81-E85 WeakPolarHBondContact CA-OE1 3.3Å; G81-E85 PolarHBondContact N-OE1 3.32Å |
| 82 | G | 83.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 62 Ų | 62 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -154.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V84 E85 | G82-V84 PolarHBondContact O-N 2.89Å; G82-E85 PolarHBondContact O-N 3Å |
| 83 | T | 89.4 | Confident | 92.6 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 56% | 0.564 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.6 | -10.7 | -172.8 | 45.6 | 0 | 0 | 0 | 0 | 114.1 | H40 R86 | H40-T83 PolarHBondContact CE1-O 3.19Å; H40-T83 PolarHBondContact CE1-OG1 3.39Å; H40-T83 WeakPolarHBondContact NE2-CB 3.4Å; H40-T83 PolarHBondContact NE2-OG1 3.48Å; T83-R86 WeakPolarHBondContact O-CB 3.49Å; T83-R86 PolarHBondContact O-N 2.92Å |
| 84 | V | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.7 | -28 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | H40 L43 L44 T78 G81 G82 R86 L87 F88 | H40-V84 HydrophobicContact CB-CG2 4.29Å; H40-V84 PolarHBondContact NE2-N 3.2Å; L43-V84 HydrophobicContact CD2-CB 3.97Å; L43-V84 HydrophobicContact CD2-CG1 4.16Å; L43-V84 HydrophobicContact CD2-CG2 3.93Å; L44-V84 HydrophobicContact CD2-CG2 4.26Å; T78-V84 HydrophobicContact CG2-CG1 4.28Å; T78-V84 HydrophobicContact CG2-CG2 4.11Å; G81-V84 WeakPolarHBondContact O-CG1 3.45Å; G82-V84 PolarHBondContact O-N 2.89Å; V84-R86 PolarHBondContact O-N 3.45Å; V84-L87 HydrophobicContact CG2-CD2 4.46Å; V84-L87 VanDerWaalsContact O-CB 3.26Å; V84-L87 WeakPolarHBondContact O-CB 3.41Å; V84-L87 PolarHBondContact O-N 3.12Å; V84-F88 HydrophobicContact CG2-CD2 4.29Å; V84-F88 HydrophobicContact CG2-CE2 3.8Å; V84-F88 WeakPolarHBondContact O-CD2 3.39Å; V84-F88 PolarHBondContact O-N 3.18Å |
| 85 | E | 94.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 64.5 Ų | 64.5 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -35.2 | 173.7 | -67.8 | -178 | 175.8 | 0 | 0 | 111.5 | G81 G82 L87 F88 K89 | G81-E85 WeakPolarHBondContact CA-OE1 3.3Å; G81-E85 PolarHBondContact N-OE1 3.32Å; G82-E85 PolarHBondContact O-N 3Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.99Å; E85-F88 PolarHBondContact O-N 3.46Å; E85-K89 VanDerWaalsContact O-CB 3.31Å; E85-K89 WeakPolarHBondContact O-CB 3.46Å; E85-K89 PolarHBondContact O-N 2.97Å |
| 86 | R | 95.4 | Very high | 92.6 | Very high | 142 Ų | 142 | 68.5 Ų | 68.5 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 175.3 | -168 | 176 | -178.3 | 151.7 | 0.3 | 111.6 | E32 L36 T83 V84 N90 | E32-R86 IonicContact OE1-CZ 2.96Å; E32-R86 IonicContact OE1-NE 2.92Å; E32-R86 PolarHBondContact OE1-NE 3.47Å; E32-R86 IonicContact OE1-NH2 3.12Å; E32-R86 PolarHBondContact OE1-NH2 3.1Å; L36-R86 HydrophobicContact CD1-CB 4.16Å; L36-R86 HydrophobicContact CD1-CG 3.82Å; T83-R86 WeakPolarHBondContact O-CB 3.49Å; T83-R86 PolarHBondContact O-N 2.92Å; V84-R86 PolarHBondContact O-N 3.45Å; R86-N90 WeakPolarHBondContact O-CB 3.35Å; R86-N90 VanDerWaalsContact O-CG 3.29Å; R86-N90 PolarHBondContact O-N 2.62Å; R86-N90 PolarHBondContact O-OD1 3.24Å |
| 87 | L | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -52.9 | 174.6 | 173.4 | 62.2 | 0 | 0 | 0 | 110.7 | T33 L36 L37 H40 L44 V84 E85 K89 N90 L91 | T33-L87 HydrophobicContact CG2-CD1 3.83Å; L36-L87 HydrophobicContact CB-CB 4.12Å; L36-L87 HydrophobicContact CB-CD1 3.97Å; L37-L87 HydrophobicContact CB-CD1 4.11Å; L37-L87 HydrophobicContact CD1-CD2 4.35Å; H40-L87 HydrophobicContact CB-CD2 4.43Å; L44-L87 HydrophobicContact CD1-CD2 3.76Å; V84-L87 HydrophobicContact CG2-CD2 4.46Å; V84-L87 VanDerWaalsContact O-CB 3.26Å; V84-L87 WeakPolarHBondContact O-CB 3.41Å; V84-L87 PolarHBondContact O-N 3.12Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.99Å; L87-K89 PolarHBondContact O-N 3.24Å; L87-N90 PolarHBondContact O-N 3.43Å; L87-L91 HydrophobicContact CD1-CD1 4.11Å; L87-L91 HydrophobicContact CD1-CG 4.38Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.5Å |
| 88 | F | 97.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | -178.8 | -67.1 | -61.2 | 0 | 0 | 0 | 112.7 | L44 I71 L74 E75 T78 V84 E85 N90 L91 S92 | L44-F88 HydrophobicContact CD2-CZ 3.91Å; I71-F88 HydrophobicContact CG2-CD1 4.21Å; I71-F88 HydrophobicContact CG2-CE1 4.46Å; L74-F88 HydrophobicContact CG-CZ 4.45Å; E75-F88 HydrophobicContact CB-CD1 3.74Å; E75-F88 HydrophobicContact CB-CD2 4.41Å; E75-F88 HydrophobicContact CB-CE1 3.66Å; E75-F88 HydrophobicContact CB-CE2 4.33Å; E75-F88 HydrophobicContact CB-CG 4.14Å; E75-F88 HydrophobicContact CB-CZ 3.98Å; E75-F88 HydrophobicContact CG-CB 4.3Å; E75-F88 HydrophobicContact CG-CD1 3.95Å; E75-F88 HydrophobicContact CG-CD2 3.98Å; E75-F88 HydrophobicContact CG-CE1 4.25Å; E75-F88 HydrophobicContact CG-CE2 4.26Å; E75-F88 HydrophobicContact CG-CG 3.82Å; E75-F88 HydrophobicContact CG-CZ 4.4Å; E75-F88 WeakPolarHBondContact OE1-CB 3.46Å; T78-F88 HydrophobicContact CG2-CE2 4Å; T78-F88 HydrophobicContact CG2-CZ 4.4Å; V84-F88 HydrophobicContact CG2-CD2 4.29Å; V84-F88 HydrophobicContact CG2-CE2 3.8Å; V84-F88 WeakPolarHBondContact O-CD2 3.39Å; V84-F88 PolarHBondContact O-N 3.18Å; E85-F88 PolarHBondContact O-N 3.46Å; F88-N90 VanDerWaalsContact C-N 3.35Å; F88-N90 PolarHBondContact O-N 2.76Å; F88-L91 HydrophobicContact CD1-CD1 4.26Å; F88-L91 PolarHBondContact O-N 2.84Å; F88-S92 WeakPolarHBondContact O-CB 3.39Å; F88-S92 PolarHBondContact O-N 3.09Å |
| 89 | K | 96.1 | Very high | 92.9 | Very high | 143 Ų | 143 | 68.8 Ų | 68.8 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.1 | -45.2 | 172.1 | -175.7 | 177.7 | 179.5 | 178.6 | 0 | 111.8 | E85 L87 S92 L93 | E85-K89 VanDerWaalsContact O-CB 3.31Å; E85-K89 WeakPolarHBondContact O-CB 3.46Å; E85-K89 PolarHBondContact O-N 2.97Å; L87-K89 PolarHBondContact O-N 3.24Å; K89-S92 PolarHBondContact O-N 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.42Å; K89-L93 PolarHBondContact O-N 3.03Å |
| 90 | N | 96.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 178.1 | -77.2 | 12.1 | 0 | 0 | 0 | 111.7 | L29 E32 T33 R86 L87 F88 S92 L93 I94 | L29-N90 HydrophobicContact CD1-CB 4.02Å; L29-N90 VanDerWaalsContact CD1-CG 3.49Å; E32-N90 PolarHBondContact OE2-ND2 2.98Å; T33-N90 HydrophobicContact CG2-CB 4.22Å; T33-N90 VanDerWaalsContact OG1-CB 3.25Å; T33-N90 WeakPolarHBondContact OG1-CB 3.44Å; T33-N90 PolarHBondContact OG1-ND2 3.24Å; R86-N90 WeakPolarHBondContact O-CB 3.35Å; R86-N90 VanDerWaalsContact O-CG 3.29Å; R86-N90 PolarHBondContact O-N 2.62Å; R86-N90 PolarHBondContact O-OD1 3.24Å; L87-N90 PolarHBondContact O-N 3.43Å; F88-N90 VanDerWaalsContact C-N 3.35Å; F88-N90 PolarHBondContact O-N 2.76Å; N90-S92 VanDerWaalsContact C-N 3.32Å; N90-S92 PolarHBondContact O-N 2.61Å; N90-L93 PolarHBondContact O-N 3.31Å; N90-I94 WeakPolarHBondContact O-CG1 3.41Å; N90-I94 PolarHBondContact O-N 3.13Å |
| 91 | L | 97.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 174.8 | -70.2 | 168.4 | 0 | 0 | 0 | 112 | T33 F68 I71 L87 F88 I94 K95 | T33-L91 HydrophobicContact CG2-CD2 3.73Å; T33-L91 HydrophobicContact CG2-CG 3.95Å; F68-L91 WeakPolarHBondContact CE1-O 3.4Å; I71-L91 HydrophobicContact CD1-CD1 4.26Å; I71-L91 HydrophobicContact CD1-CD2 4.08Å; I71-L91 HydrophobicContact CG1-CD1 4.4Å; I71-L91 HydrophobicContact CG2-CB 4.35Å; I71-L91 HydrophobicContact CG2-CD1 3.9Å; L87-L91 HydrophobicContact CD1-CD1 4.11Å; L87-L91 HydrophobicContact CD1-CG 4.38Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.5Å; F88-L91 HydrophobicContact CD1-CD1 4.26Å; F88-L91 PolarHBondContact O-N 2.84Å; L91-I94 PolarHBondContact O-N 2.9Å; L91-K95 PolarHBondContact O-N 3.05Å |
| 92 | S | 96.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 54% | 0.538 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | F88 K89 N90 K95 K96 | F88-S92 WeakPolarHBondContact O-CB 3.39Å; F88-S92 PolarHBondContact O-N 3.09Å; K89-S92 PolarHBondContact O-N 3.31Å; N90-S92 VanDerWaalsContact C-N 3.32Å; N90-S92 PolarHBondContact O-N 2.61Å; S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.04Å; S92-K96 PolarHBondContact O-N 3Å |
| 93 | L | 96.4 | Very high | 95.4 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 173.7 | -69.9 | 173.6 | 0 | 0 | 0 | 112 | L29 K89 N90 K96 Y97 | L29-L93 HydrophobicContact CD1-CD1 4.38Å; L29-L93 HydrophobicContact CD2-CB 3.81Å; L29-L93 HydrophobicContact CD2-CD1 4.42Å; K89-L93 WeakPolarHBondContact O-CG 3.42Å; K89-L93 PolarHBondContact O-N 3.03Å; N90-L93 PolarHBondContact O-N 3.31Å; L93-K96 PolarHBondContact O-N 3.36Å; L93-Y97 PolarHBondContact O-N 2.84Å |
| 94 | I | 96.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 72.7 Ų | 72.7 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.3 | -66.3 | 165.1 | 0 | 0 | 0 | 110.4 | L29 V30 T33 F68 N90 L91 K96 Y97 I98 | L29-I94 HydrophobicContact CD2-CG1 3.91Å; L29-I94 HydrophobicContact CG-CG1 4.37Å; V30-I94 HydrophobicContact CG2-CD1 3.99Å; V30-I94 HydrophobicContact CG2-CG1 4.35Å; T33-I94 HydrophobicContact CG2-CD1 4.11Å; F68-I94 HydrophobicContact CZ-CG2 4.26Å; N90-I94 WeakPolarHBondContact O-CG1 3.41Å; N90-I94 PolarHBondContact O-N 3.13Å; L91-I94 PolarHBondContact O-N 2.9Å; I94-K96 PolarHBondContact O-N 3.34Å; I94-Y97 WeakPolarHBondContact O-CB 3.43Å; I94-Y97 PolarHBondContact O-N 2.93Å; I94-I98 HydrophobicContact CG2-CD1 3.93Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.29Å |
| 95 | K | 96.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 77.8 Ų | 77.8 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 174.7 | -169.7 | -179.2 | -176.3 | -64.5 | 0 | 111.4 | F68 L91 S92 Y97 I98 D99 | F68-K95 HydrophobicContact CB-CD 3.95Å; F68-K95 HydrophobicContact CB-CG 4.41Å; F68-K95 HydrophobicContact CD1-CB 3.73Å; F68-K95 HydrophobicContact CD1-CD 3.83Å; F68-K95 HydrophobicContact CD1-CG 3.82Å; F68-K95 HydrophobicContact CD2-CB 4.25Å; F68-K95 HydrophobicContact CD2-CD 4.26Å; F68-K95 HydrophobicContact CD2-CG 3.78Å; F68-K95 HydrophobicContact CE1-CB 3.47Å; F68-K95 VanDerWaalsContact CE1-CB 3.47Å; F68-K95 HydrophobicContact CE1-CD 4.47Å; F68-K95 HydrophobicContact CE1-CG 4.02Å; F68-K95 HydrophobicContact CE2-CB 4.03Å; F68-K95 HydrophobicContact CE2-CG 3.98Å; F68-K95 HydrophobicContact CG-CB 4.14Å; F68-K95 HydrophobicContact CG-CD 3.74Å; F68-K95 HydrophobicContact CG-CG 3.72Å; F68-K95 HydrophobicContact CZ-CB 3.64Å; F68-K95 HydrophobicContact CZ-CG 4.1Å; L91-K95 PolarHBondContact O-N 3.05Å; S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.04Å; K95-Y97 VanDerWaalsContact C-N 3.25Å; K95-Y97 PolarHBondContact O-N 3.15Å; K95-I98 PolarHBondContact O-N 2.97Å; K95-I98 VanDerWaalsContact O-N 3.09Å; K95-D99 IonicContact NZ-OD1 2.83Å; K95-D99 IonicContact NZ-OD2 2.66Å; K95-D99 PolarHBondContact NZ-OD2 3.29Å; K95-D99 PolarHBondContact O-N 3.42Å |
| 96 | K | 95.9 | Very high | 95.6 | Very high | 158 Ų | 158 | 76.5 Ų | 76.5 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59 | -38.9 | 179.9 | -173.8 | -179.7 | 178.8 | -176.5 | 0 | 111.7 | S92 L93 I94 G100 | S92-K96 PolarHBondContact O-N 3Å; L93-K96 PolarHBondContact O-N 3.36Å; I94-K96 PolarHBondContact O-N 3.34Å; K96-G100 PolarHBondContact O-N 3.09Å |
| 97 | Y | 94.4 | Very high | 95.5 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 173.3 | 171.3 | -93.2 | 0 | 0 | 0 | 111.5 | T26 L93 I94 K95 D99 G100 Q101 | T26-Y97 HydrophobicContact CG2-CD1 4.19Å; T26-Y97 HydrophobicContact CG2-CE1 4.32Å; T26-Y97 HydrophobicContact CG2-CG 4.32Å; L93-Y97 PolarHBondContact O-N 2.84Å; I94-Y97 WeakPolarHBondContact O-CB 3.43Å; I94-Y97 PolarHBondContact O-N 2.93Å; K95-Y97 VanDerWaalsContact C-N 3.25Å; K95-Y97 PolarHBondContact O-N 3.15Å; Y97-D99 PolarHBondContact O-N 3.02Å; Y97-G100 WeakPolarHBondContact O-CA 3.5Å; Y97-G100 PolarHBondContact O-N 3.2Å; Y97-G100 VanDerWaalsContact O-N 3.13Å; Y97-Q101 HydrophobicContact CD1-CG 4.32Å; Y97-Q101 HydrophobicContact CE1-CG 3.85Å; Y97-Q101 HydrophobicContact CE2-CG 4.3Å; Y97-Q101 VanDerWaalsContact CE2-NE2 3.28Å; Y97-Q101 WeakPolarHBondContact O-CG 3.44Å; Y97-Q101 PolarHBondContact O-N 2.91Å |
| 98 | I | 95.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 82.2 Ų | 82.2 | 23% | 0.226 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 179 | -69 | 165.4 | 0 | 0 | 0 | 111.2 | T64 F68 I94 K95 G100 Q101 K102 | T64-I98 HydrophobicContact CG2-CG2 4.32Å; F68-I98 HydrophobicContact CE2-CD1 3.68Å; F68-I98 HydrophobicContact CZ-CD1 3.97Å; I94-I98 HydrophobicContact CG2-CD1 3.93Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.29Å; K95-I98 PolarHBondContact O-N 2.97Å; K95-I98 VanDerWaalsContact O-N 3.09Å; I98-G100 PolarHBondContact O-N 3.4Å; I98-Q101 PolarHBondContact O-N 3.41Å; I98-K102 PolarHBondContact O-N 3.44Å |
| 99 | D | 95.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 93.4 Ų | 93.4 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 176.4 | -68.8 | -18.4 | 0 | 0 | 0 | 111.2 | K95 Y97 K103 | K95-D99 IonicContact NZ-OD1 2.83Å; K95-D99 IonicContact NZ-OD2 2.66Å; K95-D99 PolarHBondContact NZ-OD2 3.29Å; K95-D99 PolarHBondContact O-N 3.42Å; Y97-D99 PolarHBondContact O-N 3.02Å; D99-K103 WeakPolarHBondContact O-CG 3.48Å; D99-K103 PolarHBondContact O-N 2.98Å |
| 100 | G | 95.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 93.6 Ų | 93.6 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K96 Y97 I98 K103 | K96-G100 PolarHBondContact O-N 3.09Å; Y97-G100 WeakPolarHBondContact O-CA 3.5Å; Y97-G100 PolarHBondContact O-N 3.2Å; Y97-G100 VanDerWaalsContact O-N 3.13Å; I98-G100 PolarHBondContact O-N 3.4Å; G100-K103 PolarHBondContact O-N 2.93Å |
| 101 | Q | 94.3 | Very high | 95.6 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176 | -62.4 | -56.8 | -33.3 | 0 | 0 | 111.7 | Y97 I98 K103 K104 | Y97-Q101 HydrophobicContact CD1-CG 4.32Å; Y97-Q101 HydrophobicContact CE1-CG 3.85Å; Y97-Q101 HydrophobicContact CE2-CG 4.3Å; Y97-Q101 VanDerWaalsContact CE2-NE2 3.28Å; Y97-Q101 WeakPolarHBondContact O-CG 3.44Å; Y97-Q101 PolarHBondContact O-N 2.91Å; I98-Q101 PolarHBondContact O-N 3.41Å; Q101-K103 VanDerWaalsContact C-N 3.26Å; Q101-K103 PolarHBondContact O-N 3.35Å; Q101-K104 WeakPolarHBondContact O-CB 3.23Å; Q101-K104 PolarHBondContact O-N 3Å |
| 102 | K | 94.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 106 Ų | 106 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.8 | -39.1 | 176.2 | -75 | -176.1 | 172.7 | -176.2 | 0 | 112.3 | T64 E65 I98 K104 C105 | T64-K102 VanDerWaalsContact OG1-CE 3.27Å; T64-K102 WeakPolarHBondContact OG1-CE 3.27Å; T64-K102 PolarHBondContact OG1-NZ 3.48Å; E65-K102 IonicContact OE1-NZ 2.75Å; E65-K102 PolarHBondContact OE1-NZ 3Å; I98-K102 PolarHBondContact O-N 3.44Å; K102-K104 PolarHBondContact O-N 2.87Å; K102-C105 WeakPolarHBondContact O-CB 3.41Å; K102-C105 PolarHBondContact O-N 2.98Å; K102-C105 PolarHBondContact O-SG 3.48Å |
| 103 | K | 94.7 | Very high | 95.7 | Very high | 168 Ų | 168 | 106.8 Ų | 106.8 | 73% | 0.73 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -29.4 | 176.7 | -72 | 175.2 | -177.5 | -176.8 | 0 | 113.1 | D99 G100 Q101 C105 | D99-K103 WeakPolarHBondContact O-CG 3.48Å; D99-K103 PolarHBondContact O-N 2.98Å; G100-K103 PolarHBondContact O-N 2.93Å; Q101-K103 VanDerWaalsContact C-N 3.26Å; Q101-K103 PolarHBondContact O-N 3.35Å; K103-C105 VanDerWaalsContact C-N 3.31Å; K103-C105 PolarHBondContact O-N 3.39Å |
| 104 | K | 94.7 | Very high | 95.8 | Very high | 118 Ų | 118 | 106.5 Ų | 106.5 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.5 | -19.3 | 179.2 | -61.6 | -178.8 | 179.2 | -179.7 | 0 | 113.4 | Q101 K102 G106 E107 | Q101-K104 WeakPolarHBondContact O-CB 3.23Å; Q101-K104 PolarHBondContact O-N 3Å; K102-K104 PolarHBondContact O-N 2.87Å; K104-G106 PolarHBondContact O-N 3.41Å; K104-E107 PolarHBondContact O-N 3.12Å |
| 105 | C | 94.6 | Very high | 95.9 | Very high | 109 Ų | 109 | 111.3 Ų | 111.3 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.5 | -177.8 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | K102 K103 | K102-C105 WeakPolarHBondContact O-CB 3.41Å; K102-C105 PolarHBondContact O-N 2.98Å; K102-C105 PolarHBondContact O-SG 3.48Å; K103-C105 VanDerWaalsContact C-N 3.31Å; K103-C105 PolarHBondContact O-N 3.39Å |
| 106 | G | 92.8 | Very high | 96 | Very high | 67 Ų | 67 | 112.1 Ų | 112.1 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 8.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K104 | K104-G106 PolarHBondContact O-N 3.41Š|
| 107 | E | 93.9 | Very high | 96.1 | Very high | 148 Ų | 148 | 108.8 Ų | 108.8 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -36.7 | -174.2 | -178.5 | 172.2 | -151 | 0 | 0 | 111.8 | K104 | K104-E107 PolarHBondContact O-N 3.12Š|
| 108 | E | 95.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 111 Ų | 111 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | trans | -113.6 | 130.3 | -175.6 | -165.8 | 168 | -160.4 | 0 | 0 | 112.6 | R110 | E108-R110 HydrophobicContact CG-CG 4.26Å; E108-R110 IonicContact OE1-CZ 3.56Å; E108-R110 IonicContact OE1-NE 3.05Å; E108-R110 PolarHBondContact OE1-NE 3.19Å; E108-R110 VanDerWaalsContact OE1-NE 3.12Å; E108-R110 IonicContact OE1-NH1 3.12Å; E108-R110 PolarHBondContact OE1-NH1 3.29Å; E108-R110 VanDerWaalsContact OE1-NH1 3.12Å; E108-R110 IonicContact OE1-NH2 2.95Å; E108-R110 PolarHBondContact OE1-NH2 3.24Å; E108-R110 IonicContact OE2-CZ 2.68Å; E108-R110 IonicContact OE2-NE 2.61Å; E108-R110 PolarHBondContact OE2-NE 3.49Å; E108-R110 IonicContact OE2-NH2 2.76Å; E108-R110 PolarHBondContact OE2-NH2 3.32Å | ||
| 109 | R | 96.9 | Very high | 96.4 | Very high | 241 Ų | 241 | 111.8 Ų | 111.8 | 91% | 0.909 | 54% | 0.54 | S | S | * | . | trans | -97.5 | 117.4 | 173.4 | -60.9 | -177.5 | 77 | 99.1 | -1.3 | 109.3 | ||||
| 110 | R | 96.9 | Very high | 96.6 | Very high | 147 Ų | 147 | 116.3 Ų | 116.3 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | trans | -109.4 | 170.8 | -177.8 | -64.3 | -63.6 | -162.8 | 171.7 | 1 | 111.8 | E108 Q114 | E108-R110 HydrophobicContact CG-CG 4.26Å; E108-R110 IonicContact OE1-CZ 3.56Å; E108-R110 IonicContact OE1-NE 3.05Å; E108-R110 PolarHBondContact OE1-NE 3.19Å; E108-R110 VanDerWaalsContact OE1-NE 3.12Å; E108-R110 IonicContact OE1-NH1 3.12Å; E108-R110 PolarHBondContact OE1-NH1 3.29Å; E108-R110 VanDerWaalsContact OE1-NH1 3.12Å; E108-R110 IonicContact OE1-NH2 2.95Å; E108-R110 PolarHBondContact OE1-NH2 3.24Å; E108-R110 IonicContact OE2-CZ 2.68Å; E108-R110 IonicContact OE2-NE 2.61Å; E108-R110 PolarHBondContact OE2-NE 3.49Å; E108-R110 IonicContact OE2-NH2 2.76Å; E108-R110 PolarHBondContact OE2-NH2 3.32Å; R110-Q114 HydrophobicContact CB-CB 4.05Å | ||
| 111 | R | 98.4 | Very high | 96.7 | Very high | 194 Ų | 194 | 121.1 Ų | 121.1 | 73% | 0.732 | 57% | 0.574 | S | S | * | * | trans | -70.8 | 158.9 | 175 | -67 | -176.2 | -177.3 | -169.1 | 1.4 | 110.8 | N113 Q114 F115 | R111-N113 VanDerWaalsContact C-N 3.29Å; R111-N113 WeakPolarHBondContact CB-OD1 3.49Å; R111-N113 PolarHBondContact O-N 2.94Å; R111-Q114 PolarHBondContact O-N 3.26Å; R111-Q114 VanDerWaalsContact O-N 3.15Å; R111-F115 PolarHBondContact O-N 2.99Å; R111-F115 VanDerWaalsContact O-N 3.14Å | ||
| 112 | V | 98.4 | Very high | 96.8 | Very high | 109 Ų | 109 | 122 Ų | 122 | 66% | 0.661 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -55.8 | -41.4 | -177.3 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | Q114 F115 L116 | V112-Q114 PolarHBondContact O-N 3.28Å; V112-F115 WeakPolarHBondContact O-CB 3.49Å; V112-F115 PolarHBondContact O-N 3.42Å; V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 3.33Å |
| 113 | N | 98.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 122.9 Ų | 122.9 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.6 | -45.7 | 179.2 | 66.2 | -52.3 | 0 | 0 | 0 | 112.2 | R111 F115 L116 D117 | R111-N113 VanDerWaalsContact C-N 3.29Å; R111-N113 WeakPolarHBondContact CB-OD1 3.49Å; R111-N113 PolarHBondContact O-N 2.94Å; N113-F115 VanDerWaalsContact C-N 3.29Å; N113-F115 PolarHBondContact O-N 2.88Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.14Å; N113-D117 PolarHBondContact O-N 3.38Å |
| 114 | Q | 98.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 116.5 Ų | 116.5 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.1 | -35.1 | 178.3 | -58 | 177.2 | -79.7 | 0 | 0 | 112 | R110 R111 V112 Y118 | R110-Q114 HydrophobicContact CB-CB 4.05Å; R111-Q114 PolarHBondContact O-N 3.26Å; R111-Q114 VanDerWaalsContact O-N 3.15Å; V112-Q114 PolarHBondContact O-N 3.28Å; Q114-Y118 PolarHBondContact O-N 2.84Å; Q114-Y118 VanDerWaalsContact O-N 3.15Å |
| 115 | F | 98.2 | Very high | 96.8 | Very high | 125 Ų | 125 | 113.6 Ų | 113.6 | 55% | 0.548 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 173.3 | 172.3 | -97 | 0 | 0 | 0 | 111.7 | R111 V112 N113 D117 Y118 L119 | R111-F115 PolarHBondContact O-N 2.99Å; R111-F115 VanDerWaalsContact O-N 3.14Å; V112-F115 WeakPolarHBondContact O-CB 3.49Å; V112-F115 PolarHBondContact O-N 3.42Å; N113-F115 VanDerWaalsContact C-N 3.29Å; N113-F115 PolarHBondContact O-N 2.88Å; F115-D117 VanDerWaalsContact C-N 3.35Å; F115-Y118 PolarHBondContact O-N 3.31Å; F115-L119 HydrophobicContact CE1-CD2 4.25Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 PolarHBondContact O-N 3.15Å |
| 116 | L | 98.7 | Very high | 96.7 | Very high | 91 Ų | 91 | 110.6 Ų | 110.6 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 177.2 | -68.4 | 177.6 | 0 | 0 | 0 | 111.9 | V112 N113 L119 Q120 | V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 3.33Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.14Å; L116-L119 HydrophobicContact CD2-CD2 4.3Å; L116-L119 PolarHBondContact O-N 2.96Å; L116-Q120 WeakPolarHBondContact O-CB 3.37Å; L116-Q120 PolarHBondContact O-N 2.87Å |
| 117 | D | 98.6 | Very high | 96.5 | Very high | 89 Ų | 89 | 113.7 Ų | 113.7 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.6 | -49 | 172.8 | -62.7 | -28.3 | 0 | 0 | 0 | 110.4 | N113 F115 L119 Q120 E121 | N113-D117 PolarHBondContact O-N 3.38Å; F115-D117 VanDerWaalsContact C-N 3.35Å; D117-L119 PolarHBondContact O-N 3.06Å; D117-Q120 PolarHBondContact O-N 2.96Å; D117-E121 PolarHBondContact O-N 2.81Å |
| 118 | Y | 98.2 | Very high | 96.3 | Very high | 158 Ų | 158 | 111.7 Ų | 111.7 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 176.7 | -170.7 | -96 | 0 | 0 | 0 | 113 | Q114 F115 Q120 E121 F122 | Q114-Y118 PolarHBondContact O-N 2.84Å; Q114-Y118 VanDerWaalsContact O-N 3.15Å; F115-Y118 PolarHBondContact O-N 3.31Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Y118-E121 PolarHBondContact O-N 3.13Å; Y118-F122 WeakPolarHBondContact O-CB 3.44Å; Y118-F122 PolarHBondContact O-N 2.91Å |
| 119 | L | 98.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 112.6 Ų | 112.6 | 32% | 0.319 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176 | 177.7 | 62.1 | 0 | 0 | 0 | 111.4 | F115 L116 D117 F122 L123 | F115-L119 HydrophobicContact CE1-CD2 4.25Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 PolarHBondContact O-N 3.15Å; L116-L119 HydrophobicContact CD2-CD2 4.3Å; L116-L119 PolarHBondContact O-N 2.96Å; D117-L119 PolarHBondContact O-N 3.06Å; L119-F122 HydrophobicContact CD1-CD1 4.23Å; L119-F122 PolarHBondContact O-N 3.14Å; L119-L123 HydrophobicContact CD1-CD1 4.3Å; L119-L123 HydrophobicContact CD1-CG 4.27Å; L119-L123 HydrophobicContact CG-CD1 4.16Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 2.68Å |
| 120 | Q | 98.3 | Very high | 95.3 | Very high | 149 Ų | 149 | 104.2 Ų | 104.2 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 176.3 | -177.7 | 175.8 | -36.4 | 0 | 0 | 111.2 | L116 D117 Y118 L123 G124 | L116-Q120 WeakPolarHBondContact O-CB 3.37Å; L116-Q120 PolarHBondContact O-N 2.87Å; D117-Q120 PolarHBondContact O-N 2.96Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Q120-L123 PolarHBondContact O-N 2.83Å; Q120-G124 PolarHBondContact O-N 3.45Å |
| 121 | E | 97.8 | Very high | 94.1 | Very high | 132 Ų | 132 | 103.7 Ų | 103.7 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 173 | -70.9 | 177.4 | -170 | 0 | 0 | 111.5 | D117 Y118 G124 V125 | D117-E121 PolarHBondContact O-N 2.81Å; Y118-E121 PolarHBondContact O-N 3.13Å; E121-G124 PolarHBondContact O-N 3.2Å; E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 3.15Å |
| 122 | F | 96.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 99.6 Ų | 99.6 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 177.4 | 170.1 | -103.7 | 0 | 0 | 0 | 112.6 | Y118 L119 G124 V125 M126 | Y118-F122 WeakPolarHBondContact O-CB 3.44Å; Y118-F122 PolarHBondContact O-N 2.91Å; L119-F122 HydrophobicContact CD1-CD1 4.23Å; L119-F122 PolarHBondContact O-N 3.14Å; F122-G124 VanDerWaalsContact C-N 3.27Å; F122-G124 PolarHBondContact O-N 3.43Å; F122-V125 PolarHBondContact O-N 3.38Å; F122-M126 HydrophobicContact CD1-SD 4.08Å; F122-M126 HydrophobicContact CE1-CG 4.3Å; F122-M126 HydrophobicContact CE1-SD 3.3Å; F122-M126 WeakPolarHBondContact CE1-SD 3.29Å; F122-M126 HydrophobicContact CE2-CG 4.26Å; F122-M126 HydrophobicContact CE2-SD 4.09Å; F122-M126 HydrophobicContact CZ-CG 4.06Å; F122-M126 HydrophobicContact CZ-SD 3.3Å; F122-M126 WeakPolarHBondContact CZ-SD 3.21Å; F122-M126 WeakPolarHBondContact O-CG 3.45Å; F122-M126 PolarHBondContact O-N 3.26Å |
| 123 | L | 96.1 | Very high | 90.6 | Very high | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 177.2 | -69.1 | 172.7 | 0 | 0 | 0 | 111.8 | L119 Q120 M126 N127 | L119-L123 HydrophobicContact CD1-CD1 4.3Å; L119-L123 HydrophobicContact CD1-CG 4.27Å; L119-L123 HydrophobicContact CG-CD1 4.16Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 2.68Å; Q120-L123 PolarHBondContact O-N 2.83Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 3.14Å; L123-N127 WeakPolarHBondContact O-CB 3.48Å; L123-N127 PolarHBondContact O-N 2.96Å |
| 124 | G | 95.9 | Very high | 88.2 | Confident | 34 Ų | 34 | 107.3 Ų | 107.3 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.4 | -51.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q120 E121 F122 M126 N127 T128 | Q120-G124 PolarHBondContact O-N 3.45Å; E121-G124 PolarHBondContact O-N 3.2Å; F122-G124 VanDerWaalsContact C-N 3.27Å; F122-G124 PolarHBondContact O-N 3.43Å; G124-M126 VanDerWaalsContact C-N 3.34Å; G124-M126 PolarHBondContact O-N 2.66Å; G124-N127 PolarHBondContact O-N 3.12Å; G124-N127 VanDerWaalsContact O-N 3.15Å; G124-T128 PolarHBondContact O-N 2.71Å; G124-T128 PolarHBondContact O-OG1 2.91Å; G124-T128 VanDerWaalsContact O-OG1 3.09Å |
| 125 | V | 93.4 | Very high | 87.7 | Confident | 58 Ų | 58 | 108.9 Ų | 108.9 | 35% | 0.352 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.5 | -43.8 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | E121 F122 N127 T128 E129 | E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 3.15Å; F122-V125 PolarHBondContact O-N 3.38Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.12Å; V125-T128 PolarHBondContact O-N 2.88Å; V125-E129 HydrophobicContact CG1-CB 4.33Å; V125-E129 HydrophobicContact CG1-CG 4.36Å; V125-E129 WeakPolarHBondContact O-CB 3.19Å; V125-E129 PolarHBondContact O-N 2.83Å |
| 126 | M | 91.1 | Very high | 87.2 | Confident | 45 Ų | 45 | 108 Ų | 108 | 22% | 0.222 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -58.7 | -44 | 175.6 | -72.1 | -175.3 | 68 | 0 | 0 | 111.7 | F122 L123 G124 W130 | F122-M126 HydrophobicContact CD1-SD 4.08Å; F122-M126 HydrophobicContact CE1-CG 4.3Å; F122-M126 HydrophobicContact CE1-SD 3.3Å; F122-M126 WeakPolarHBondContact CE1-SD 3.29Å; F122-M126 HydrophobicContact CE2-CG 4.26Å; F122-M126 HydrophobicContact CE2-SD 4.09Å; F122-M126 HydrophobicContact CZ-CG 4.06Å; F122-M126 HydrophobicContact CZ-SD 3.3Å; F122-M126 WeakPolarHBondContact CZ-SD 3.21Å; F122-M126 WeakPolarHBondContact O-CG 3.45Å; F122-M126 PolarHBondContact O-N 3.26Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 3.14Å; G124-M126 VanDerWaalsContact C-N 3.34Å; G124-M126 PolarHBondContact O-N 2.66Å; M126-W130 HydrophobicContact CB-CD2 4.44Å; M126-W130 HydrophobicContact CE-CE3 3.9Å; M126-W130 HydrophobicContact CE-CZ3 3.8Å; M126-W130 HydrophobicContact CG-CD2 4.02Å; M126-W130 HydrophobicContact CG-CE3 3.95Å; M126-W130 HydrophobicContact CG-CH2 4.2Å; M126-W130 HydrophobicContact CG-CZ2 4.29Å; M126-W130 HydrophobicContact CG-CZ3 4.05Å; M126-W130 VanDerWaalsContact O-CB 3.25Å; M126-W130 WeakPolarHBondContact O-CB 3.38Å; M126-W130 PolarHBondContact O-N 2.83Å; M126-W130 HydrophobicContact SD-CZ3 4.29Å |
| 127 | N | 89.6 | Confident | 86.5 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.9 | -33.3 | -178.3 | -177.6 | 76.3 | 0 | 0 | 0 | 113.3 | L123 G124 V125 | L123-N127 WeakPolarHBondContact O-CB 3.48Å; L123-N127 PolarHBondContact O-N 2.96Å; G124-N127 PolarHBondContact O-N 3.12Å; G124-N127 VanDerWaalsContact O-N 3.15Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.12Å |
| 128 | T | 89.4 | Confident | 85.8 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -95 | -35.2 | -175.3 | 56.3 | 0 | 0 | 0 | 0 | 114 | G124 V125 | G124-T128 PolarHBondContact O-N 2.71Å; G124-T128 PolarHBondContact O-OG1 2.91Å; G124-T128 VanDerWaalsContact O-OG1 3.09Å; V125-T128 PolarHBondContact O-N 2.88Å |
| 129 | E | 86.4 | Confident | 85.1 | Confident | 137 Ų | 137 | 107.1 Ų | 107.1 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -106 | -21.1 | -172 | -61.3 | -177.2 | -166.6 | 0 | 0 | 112.8 | V125 | V125-E129 HydrophobicContact CG1-CB 4.33Å; V125-E129 HydrophobicContact CG1-CG 4.36Å; V125-E129 WeakPolarHBondContact O-CB 3.19Å; V125-E129 PolarHBondContact O-N 2.83Å |
| 130 | W | 84.4 | Confident | 84.2 | Confident | 64 Ų | 64 | 110.2 Ų | 110.2 | 24% | 0.242 | 58% | 0.584 | C | S | . | * | trans | -95.8 | 117.1 | -178.7 | -56.8 | 15.7 | 0 | 0 | 0 | 110.5 | H59 L62 M126 I132 | H59-W130 VanDerWaalsContact CE1-CB 3.49Å; H59-W130 WeakPolarHBondContact CE1-CB 3.16Å; H59-W130 AromaticContact CE1-CD1 3.63Å; H59-W130 AromaticContact CE1-CD2 3.94Å; H59-W130 AromaticContact CE1-CG 3.37Å; H59-W130 AromaticContact ND1-CD1 3.58Å; H59-W130 AromaticContact ND1-CD2 3.82Å; H59-W130 AromaticContact ND1-CE2 3.97Å; H59-W130 AromaticContact ND1-CG 3.6Å; H59-W130 AromaticContact ND1-NE1 3.79Å; L62-W130 HydrophobicContact CD1-CH2 3.92Å; L62-W130 HydrophobicContact CD1-CZ3 4.07Å; L62-W130 HydrophobicContact CD2-CH2 3.93Å; L62-W130 HydrophobicContact CD2-CZ2 4.41Å; L62-W130 HydrophobicContact CG-CH2 4.33Å; M126-W130 HydrophobicContact CB-CD2 4.44Å; M126-W130 HydrophobicContact CE-CE3 3.9Å; M126-W130 HydrophobicContact CE-CZ3 3.8Å; M126-W130 HydrophobicContact CG-CD2 4.02Å; M126-W130 HydrophobicContact CG-CE3 3.95Å; M126-W130 HydrophobicContact CG-CH2 4.2Å; M126-W130 HydrophobicContact CG-CZ2 4.29Å; M126-W130 HydrophobicContact CG-CZ3 4.05Å; M126-W130 VanDerWaalsContact O-CB 3.25Å; M126-W130 WeakPolarHBondContact O-CB 3.38Å; M126-W130 PolarHBondContact O-N 2.83Å; M126-W130 HydrophobicContact SD-CZ3 4.29Å; W130-I132 VanDerWaalsContact C-N 3.29Å; W130-I132 HydrophobicContact CB-CG1 4.45Å; W130-I132 PolarHBondContact O-N 3.31Å | ||
| 131 | I | 71.5 | Confident | 83.2 | Confident | 136 Ų | 136 | 107.4 Ų | 107.4 | 70% | 0.697 | 58% | 0.576 | S | S | * | * | trans | -73.5 | 93.8 | 167.3 | -55.5 | 176.4 | 0 | 0 | 0 | 105.7 | E133 | I131-E133 VanDerWaalsContact C-N 3.25Å; I131-E133 HydrophobicContact CG2-CG 3.98Å; I131-E133 PolarHBondContact O-N 2.79Å | ||
| 132 | I | 66.1 | Low | 82.1 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | trans | -75.8 | 86.6 | 172 | -55.1 | 174.8 | 0 | 0 | 0 | 106.3 | W130 S134 | W130-I132 VanDerWaalsContact C-N 3.29Å; W130-I132 HydrophobicContact CB-CG1 4.45Å; W130-I132 PolarHBondContact O-N 3.31Å; I132-S134 PolarHBondContact O-N 3.28Å; I132-S134 VanDerWaalsContact O-N 3.11Å; I132-S134 PolarHBondContact O-OG 3.11Å | ||
| 133 | E | 57.7 | Low | 80.9 | Confident | 179 Ų | 179 | 106.5 Ų | 106.5 | 84% | 0.836 | 59% | 0.586 | S | S | * | * | trans | -63.1 | 112.8 | 164.9 | -68 | -173.5 | 175 | 0 | 0 | 106.9 | I131 | I131-E133 VanDerWaalsContact C-N 3.25Å; I131-E133 HydrophobicContact CG2-CG 3.98Å; I131-E133 PolarHBondContact O-N 2.79Å | ||
| 134 | S | 49.3 | Very low | 79.5 | Confident | 183 Ų | 183 | 107.5 Ų | 107.5 | 100% | 1.28 | 59% | 0.594 | S | S | * | * | trans | -88.8 | 0 | -179.3 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | I132 | I132-S134 PolarHBondContact O-N 3.28Å; I132-S134 VanDerWaalsContact O-N 3.11Å; I132-S134 PolarHBondContact O-OG 3.11Å |
Retrieved 134 of 134 residues in 75.1 ms
(Link to these results)