| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 41.3 | Very low | 247 Ų | 247 | 160.2 Ų | 160.2 | 100% | 1.217 | 85% | 0.852 | S | S | * | * | 0 | 90.3 | 0 | -66 | 170 | 116.9 | 0 | 0 | 106.5 | |||||
| 2 | S | 35.4 | Very low | 41.9 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -97 | 118.5 | -173.1 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | A | 36.3 | Very low | 43.2 | Very low | 91 Ų | 91 | 161.2 Ų | 161.2 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 4 | P | 44.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 164.1 Ų | 164.1 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 150.6 | 179.1 | -5.3 | 23 | 0 | 0 | 0 | 111.3 | L6 | P4-L6 PolarHBondContact O-N 3.15Å; P4-L6 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 41.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 158.3 Ų | 158.3 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -67.9 | 100.8 | -173.3 | -61.6 | 168.3 | 0 | 0 | 0 | 111.9 | Q7 | L5-Q7 PolarHBondContact O-N 3.15Å; L5-Q7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | L | 44.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | trans | -76.2 | 85.3 | 144.4 | -75.5 | 176.1 | 0 | 0 | 0 | 106.8 | P4 R8 | P4-L6 PolarHBondContact O-N 3.15Å; P4-L6 VanDerWaalsContact O-N 3.15Å; L6-R8 PolarHBondContact O-N 2.92Å | ||
| 7 | Q | 44.9 | Very low | 44.6 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | trans | -62.4 | 103.6 | 173 | -161.3 | 160.8 | -4.5 | 0 | 0 | 107.4 | L5 Y9 | L5-Q7 PolarHBondContact O-N 3.15Å; L5-Q7 VanDerWaalsContact O-N 3.15Å; Q7-Y9 PolarHBondContact O-N 3.19Å; Q7-Y9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | R | 46.7 | Very low | 45.1 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -47.8 | 115.2 | 174.1 | -70.8 | 176.9 | 176.6 | 161.4 | -1.6 | 108.6 | L6 | L6-R8 PolarHBondContact O-N 2.92Š| ||
| 9 | Y | 30.8 | Very low | 45.2 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | trans | -54.9 | 132.5 | 161.5 | -79.5 | -92 | 0 | 0 | 0 | 108.4 | Q7 V11 | Q7-Y9 PolarHBondContact O-N 3.19Å; Q7-Y9 VanDerWaalsContact O-N 3.08Å; Y9-V11 PolarHBondContact O-N 3.23Å; Y9-V11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | P | 42.8 | Very low | 45.5 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -67.3 | 113.3 | 176.8 | 25.6 | -30.1 | 0 | 0 | 0 | 109.2 | E12 | P10-E12 VanDerWaalsContact C-N 3.33Å; P10-E12 PolarHBondContact O-N 3.26Å; P10-E12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | V | 50.5 | Low | 45.8 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 88.9 | 166.1 | 178.7 | 0 | 0 | 0 | 0 | 107 | Y9 K13 | Y9-V11 PolarHBondContact O-N 3.23Å; Y9-V11 VanDerWaalsContact O-N 3.13Å; V11-K13 PolarHBondContact O-N 3.04Å | ||
| 12 | E | 48.6 | Very low | 46.6 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 63% | 0.631 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 112 | 172.1 | -170.9 | 176.5 | 164.2 | 0 | 0 | 109 | P10 R14 | P10-E12 VanDerWaalsContact C-N 3.33Å; P10-E12 PolarHBondContact O-N 3.26Å; P10-E12 VanDerWaalsContact O-N 3.1Å; E12-R14 PolarHBondContact O-N 3.37Å; E12-R14 IonicContact OE1-CZ 3.35Å; E12-R14 IonicContact OE1-NE 3Å; E12-R14 PolarHBondContact OE1-NE 3.07Å; E12-R14 IonicContact OE1-NH2 2.86Å; E12-R14 PolarHBondContact OE1-NH2 2.94Å | ||
| 13 | K | 58.4 | Low | 47.5 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 99.7 | 169.1 | -74.3 | -161.6 | 177.4 | -174.4 | 0 | 109 | V11 | V11-K13 PolarHBondContact O-N 3.04Š| ||
| 14 | R | 49.5 | Very low | 48.3 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -129.7 | 129.1 | 163.9 | -151.2 | 176.7 | -65.7 | -132.4 | 2.3 | 109.3 | E12 | E12-R14 PolarHBondContact O-N 3.37Å; E12-R14 IonicContact OE1-CZ 3.35Å; E12-R14 IonicContact OE1-NE 3Å; E12-R14 PolarHBondContact OE1-NE 3.07Å; E12-R14 IonicContact OE1-NH2 2.86Å; E12-R14 PolarHBondContact OE1-NH2 2.94Å | ||
| 15 | G | 50.9 | Low | 49.1 | Very low | 77 Ų | 77 | 156.7 Ų | 156.7 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -54.7 | 145.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A17 | G15-A17 PolarHBondContact O-N 3Š| ||
| 16 | M | 44.5 | Very low | 49.9 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -82.6 | 94.3 | 178 | -65.4 | -177.2 | -174.4 | 0 | 0 | 110.4 | ||||
| 17 | A | 51.5 | Low | 50.5 | Low | 90 Ų | 90 | 150.9 Ų | 150.9 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -80.9 | 119 | 150 | 0 | 0 | 0 | 0 | 0 | 107 | G15 D19 | G15-A17 PolarHBondContact O-N 3Å; A17-D19 VanDerWaalsContact C-N 3.34Å; A17-D19 PolarHBondContact O-N 3.02Å; A17-D19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | V | 53.3 | Low | 51.5 | Low | 108 Ų | 108 | 146.4 Ų | 146.4 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | trans | -85.4 | 79.2 | -175.4 | -164.4 | 0 | 0 | 0 | 0 | 109.2 | H20 | V18-H20 WeakPolarHBondContact CG1-CE1 3.38Å; V18-H20 PolarHBondContact O-N 3.11Å | ||
| 19 | D | 46.8 | Very low | 52.4 | Low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -81.3 | 109.7 | 168.1 | -108.2 | -46.5 | 0 | 0 | 0 | 109.5 | A17 A21 | A17-D19 VanDerWaalsContact C-N 3.34Å; A17-D19 PolarHBondContact O-N 3.02Å; A17-D19 VanDerWaalsContact O-N 3.07Å; D19-A21 PolarHBondContact O-N 3.1Å | ||
| 20 | H | 51.2 | Low | 54 | Low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | trans | -76.1 | 47.8 | 175.6 | -73.2 | 78.9 | 0 | 0 | 0 | 111.5 | V18 K22 | V18-H20 WeakPolarHBondContact CG1-CE1 3.38Å; V18-H20 PolarHBondContact O-N 3.11Å; H20-K22 PolarHBondContact O-N 2.93Å | ||
| 21 | A | 52.4 | Low | 55.1 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | trans | -84.4 | 113.9 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | D19 N23 | D19-A21 PolarHBondContact O-N 3.1Å; A21-N23 VanDerWaalsContact C-N 3.29Å; A21-N23 PolarHBondContact O-N 3.18Å | ||
| 22 | K | 52.2 | Low | 56 | Low | 204 Ų | 204 | 126.3 Ų | 126.3 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -53.3 | 87.9 | 171.1 | -76.9 | 174.1 | 175.7 | 172.7 | 0 | 110.8 | H20 | H20-K22 PolarHBondContact O-N 2.93Š| ||
| 23 | N | 54.8 | Low | 56.9 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | -118.7 | 67.8 | 163.4 | -107.5 | -30.5 | 0 | 0 | 0 | 107.5 | A21 K25 | A21-N23 VanDerWaalsContact C-N 3.29Å; A21-N23 PolarHBondContact O-N 3.18Å; N23-K25 PolarHBondContact O-N 3.05Å | ||
| 24 | K | 54 | Low | 57.5 | Low | 201 Ų | 201 | 116.3 Ų | 116.3 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | -74.8 | 84.4 | 168.7 | -70.4 | -171.9 | 179.8 | -178.8 | 0 | 107.2 | ||||
| 25 | K | 60.5 | Low | 58.5 | Low | 177 Ų | 177 | 110.5 Ų | 110.5 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | trans | -58.1 | 132 | 164.8 | -75.5 | -178.3 | 178.5 | 174.6 | 0 | 107.4 | N23 V27 | N23-K25 PolarHBondContact O-N 3.05Å; K25-V27 PolarHBondContact O-N 3.14Å | ||
| 26 | P | 58.3 | Low | 59.5 | Low | 108 Ų | 108 | 109.2 Ų | 109.2 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | trans | -61.8 | 123.8 | 174.7 | 24.8 | -30.6 | 0 | 0 | 0 | 107.8 | V28 | P26-V28 PolarHBondContact O-N 3.21Š| ||
| 27 | V | 57.9 | Low | 60.9 | Low | 93 Ų | 93 | 102.4 Ų | 102.4 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | trans | -67.1 | 114.7 | 171.6 | 178.1 | 0 | 0 | 0 | 0 | 106.2 | K25 D31 V32 | K25-V27 PolarHBondContact O-N 3.14Å; V27-D31 HydrophobicContact CG1-CB 4.05Å; V27-V32 HydrophobicContact CG1-CG1 3.72Å | ||
| 28 | V | 65.5 | Low | 61.6 | Low | 69 Ų | 69 | 102.9 Ų | 102.9 | 42% | 0.418 | 55% | 0.548 | S | S | . | . | trans | -89.4 | 158.2 | 177.2 | -68.2 | 0 | 0 | 0 | 0 | 109.7 | P26 S30 D31 | P26-V28 PolarHBondContact O-N 3.21Å; V28-S30 PolarHBondContact O-N 3.5Å; V28-S30 VanDerWaalsContact O-N 3.14Å; V28-D31 HydrophobicContact CG2-CB 4.47Å; V28-D31 VanDerWaalsContact CG2-CG 3.5Å; V28-D31 VanDerWaalsContact CG2-OD2 3.23Å; V28-D31 WeakPolarHBondContact CG2-OD2 3.43Å; V28-D31 PolarHBondContact N-OD2 3.13Å; V28-D31 VanDerWaalsContact O-CB 3.28Å; V28-D31 WeakPolarHBondContact O-CB 3.39Å; V28-D31 PolarHBondContact O-N 3.35Å | ||
| 29 | F | 64.9 | Low | 62.4 | Low | 14 Ų | 14 | 103.7 Ų | 103.7 | 6% | 0.061 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -52.9 | -38.2 | 179.9 | 179.7 | -102 | 0 | 0 | 0 | 112.5 | D31 V32 S33 M56 Y60 L63 F92 | F29-D31 PolarHBondContact O-N 3.1Å; F29-D31 VanDerWaalsContact O-N 3.16Å; F29-V32 HydrophobicContact CD2-CG2 4.35Å; F29-V32 VanDerWaalsContact O-CG2 3.23Å; F29-V32 WeakPolarHBondContact O-CG2 3.23Å; F29-V32 PolarHBondContact O-N 3.08Å; F29-S33 WeakPolarHBondContact CE1-OG 3.33Å; F29-S33 WeakPolarHBondContact O-CB 3.4Å; F29-S33 PolarHBondContact O-N 3.37Å; F29-S33 PolarHBondContact O-OG 3.1Å; F29-S33 VanDerWaalsContact O-OG 3.09Å; F29-M56 HydrophobicContact CE1-CE 4.1Å; F29-M56 HydrophobicContact CE2-CE 3.69Å; F29-M56 HydrophobicContact CZ-CE 3.14Å; F29-Y60 HydrophobicContact CD2-CD1 4.08Å; F29-Y60 AromaticContact CD2-CE1 3.59Å; F29-Y60 HydrophobicContact CD2-CE1 3.59Å; F29-Y60 HydrophobicContact CE1-CE1 4.04Å; F29-Y60 AromaticContact CE1-CZ 3.91Å; F29-Y60 VanDerWaalsContact CE1-OH 3.3Å; F29-Y60 WeakPolarHBondContact CE1-OH 3.28Å; F29-Y60 AromaticContact CE2-CD1 3.61Å; F29-Y60 HydrophobicContact CE2-CD1 3.61Å; F29-Y60 HydrophobicContact CE2-CD2 4.42Å; F29-Y60 AromaticContact CE2-CE1 3.01Å; F29-Y60 HydrophobicContact CE2-CE1 3.01Å; F29-Y60 AromaticContact CE2-CE2 4Å; F29-Y60 HydrophobicContact CE2-CE2 4Å; F29-Y60 HydrophobicContact CE2-CG 4.25Å; F29-Y60 AromaticContact CE2-CZ 3.3Å; F29-Y60 HydrophobicContact CG-CE1 4.3Å; F29-Y60 HydrophobicContact CZ-CD1 4.26Å; F29-Y60 AromaticContact CZ-CE1 3.27Å; F29-Y60 HydrophobicContact CZ-CE1 3.27Å; F29-Y60 AromaticContact CZ-CE2 3.86Å; F29-Y60 HydrophobicContact CZ-CE2 3.86Å; F29-Y60 AromaticContact CZ-CZ 3.06Å; F29-Y60 WeakPolarHBondContact CZ-OH 3.32Å; F29-L63 HydrophobicContact CB-CD1 4.13Å; F29-L63 HydrophobicContact CD2-CD1 3.49Å; F29-L63 VanDerWaalsContact CD2-CD1 3.49Å; F29-L63 HydrophobicContact CE2-CD1 4.4Å; F29-L63 HydrophobicContact CG-CD1 4.31Å; F29-F92 HydrophobicContact CB-CD1 4.08Å; F29-F92 HydrophobicContact CB-CE1 3.69Å; F29-F92 HydrophobicContact CB-CZ 4.28Å; F29-F92 AromaticContact CD1-CD1 3.97Å; F29-F92 HydrophobicContact CD1-CD1 3.97Å; F29-F92 HydrophobicContact CD1-CE1 4.43Å; F29-F92 HydrophobicContact CD1-CG 4.44Å; F29-F92 HydrophobicContact CE1-CB 4.46Å; F29-F92 AromaticContact CG-CD1 3.92Å; F29-F92 HydrophobicContact CG-CD1 3.92Å; F29-F92 AromaticContact CG-CE1 3.95Å; F29-F92 HydrophobicContact CG-CE1 3.95Å; F29-F92 HydrophobicContact CG-CG 4.45Å; F29-F92 HydrophobicContact CG-CZ 4.48Å |
| 30 | S | 64.7 | Low | 63.9 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.7 | -26.1 | 175.2 | -14.8 | 0 | 0 | 0 | 0 | 113.9 | V28 V32 | V28-S30 PolarHBondContact O-N 3.5Å; V28-S30 VanDerWaalsContact O-N 3.14Å; S30-V32 VanDerWaalsContact C-N 3.33Å |
| 31 | D | 67.2 | Low | 65.1 | Low | 110 Ų | 110 | 93.7 Ų | 93.7 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -79 | -19.6 | 178.8 | -60.3 | -32.3 | 0 | 0 | 0 | 112.1 | V27 V28 F29 | V27-D31 HydrophobicContact CG1-CB 4.05Å; V28-D31 HydrophobicContact CG2-CB 4.47Å; V28-D31 VanDerWaalsContact CG2-CG 3.5Å; V28-D31 VanDerWaalsContact CG2-OD2 3.23Å; V28-D31 WeakPolarHBondContact CG2-OD2 3.43Å; V28-D31 PolarHBondContact N-OD2 3.13Å; V28-D31 VanDerWaalsContact O-CB 3.28Å; V28-D31 WeakPolarHBondContact O-CB 3.39Å; V28-D31 PolarHBondContact O-N 3.35Å; F29-D31 PolarHBondContact O-N 3.1Å; F29-D31 VanDerWaalsContact O-N 3.16Å |
| 32 | V | 68.3 | Low | 66.1 | Low | 57 Ų | 57 | 96 Ų | 96 | 35% | 0.345 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -115.9 | -7.3 | -176.8 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | V27 F29 S30 N59 L63 | V27-V32 HydrophobicContact CG1-CG1 3.72Å; F29-V32 HydrophobicContact CD2-CG2 4.35Å; F29-V32 VanDerWaalsContact O-CG2 3.23Å; F29-V32 WeakPolarHBondContact O-CG2 3.23Å; F29-V32 PolarHBondContact O-N 3.08Å; S30-V32 VanDerWaalsContact C-N 3.33Å; V32-N59 PolarHBondContact O-ND2 2.72Å; V32-L63 HydrophobicContact CG2-CD1 4.22Å |
| 33 | S | 67.9 | Low | 67.3 | Low | 13 Ų | 13 | 91.6 Ų | 91.6 | 9% | 0.091 | 49% | 0.485 | C | S | . | . | trans | -104.9 | 135.2 | 178.7 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | F29 M56 | F29-S33 WeakPolarHBondContact CE1-OG 3.33Å; F29-S33 WeakPolarHBondContact O-CB 3.4Å; F29-S33 PolarHBondContact O-N 3.37Å; F29-S33 PolarHBondContact O-OG 3.1Å; F29-S33 VanDerWaalsContact O-OG 3.09Å; S33-M56 VanDerWaalsContact CB-CE 3.43Å | ||
| 34 | L | 70.9 | Confident | 68.5 | Low | 112 Ų | 112 | 86.1 Ų | 86.1 | 59% | 0.586 | 46% | 0.455 | S | S | * | . | trans | -102.7 | 114.7 | 168.5 | -68 | 170.6 | 0 | 0 | 0 | 108.4 | Y52 | L34-Y52 HydrophobicContact CB-CE2 4.39Å; L34-Y52 WeakPolarHBondContact O-CE2 3.19Å; L34-Y52 PolarHBondContact O-OH 3.3Å | ||
| 35 | D | 71.4 | Confident | 69.8 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 134.9 | 173.2 | -75.8 | -43.4 | 0 | 0 | 0 | 110.1 | S89 | D35-S89 WeakPolarHBondContact OD2-CB 3.45Š|
| 36 | F | 72.1 | Confident | 70.6 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 141.4 | 176.9 | -69.4 | -73.9 | 0 | 0 | 0 | 111.6 | E40 W41 L44 Y52 | F36-E40 HydrophobicContact CB-CB 4.21Å; F36-E40 HydrophobicContact CD1-CB 4.03Å; F36-W41 HydrophobicContact CB-CB 4.24Å; F36-W41 HydrophobicContact CB-CE3 4.33Å; F36-W41 AromaticContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CZ3 4.23Å; F36-W41 HydrophobicContact CG-CE3 4.44Å; F36-L44 HydrophobicContact CD1-CD1 4.43Å; F36-L44 HydrophobicContact CD2-CD1 3.99Å; F36-L44 HydrophobicContact CE1-CD1 4.33Å; F36-L44 HydrophobicContact CE2-CD1 3.86Å; F36-L44 HydrophobicContact CG-CD1 4.26Å; F36-L44 HydrophobicContact CZ-CD1 4.05Å; F36-Y52 HydrophobicContact CD2-CD1 4.46Å; F36-Y52 HydrophobicContact CD2-CD2 4.3Å; F36-Y52 HydrophobicContact CD2-CE1 4.11Å; F36-Y52 HydrophobicContact CD2-CE2 4.01Å; F36-Y52 HydrophobicContact CD2-CG 4.48Å; F36-Y52 AromaticContact CD2-CZ 3.91Å; F36-Y52 HydrophobicContact CE2-CD1 4.23Å; F36-Y52 AromaticContact CE2-CD2 3.49Å; F36-Y52 HydrophobicContact CE2-CD2 3.49Å; F36-Y52 VanDerWaalsContact CE2-CD2 3.49Å; F36-Y52 HydrophobicContact CE2-CE1 4.21Å; F36-Y52 AromaticContact CE2-CE2 3.54Å; F36-Y52 HydrophobicContact CE2-CE2 3.54Å; F36-Y52 AromaticContact CE2-CG 3.83Å; F36-Y52 HydrophobicContact CE2-CG 3.83Å; F36-Y52 AromaticContact CE2-CZ 3.92Å; F36-Y52 HydrophobicContact CZ-CD2 4.38Å |
| 37 | S | 72.5 | Confident | 71.5 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 173.2 | 172.6 | 92.4 | 0 | 0 | 0 | 0 | 113.3 | E39 E40 W41 R86 | S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 WeakPolarHBondContact CB-OE2 3.42Å; S37-E39 PolarHBondContact O-N 3.25Å; S37-E39 PolarHBondContact OG-N 2.99Å; S37-E39 PolarHBondContact OG-OE2 3.38Å; S37-E40 PolarHBondContact N-OE2 2.99Å; S37-E40 PolarHBondContact O-N 2.86Å; S37-E40 WeakPolarHBondContact OG-CG 3.16Å; S37-E40 PolarHBondContact OG-N 3.45Å; S37-W41 PolarHBondContact O-N 2.88Å; S37-W41 VanDerWaalsContact O-N 3.16Å; S37-R86 VanDerWaalsContact C-NH2 3.28Å; S37-R86 PolarHBondContact O-NH2 3Å |
| 38 | Q | 66.1 | Low | 72.4 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 174.3 | -166.9 | 72 | 24.6 | 0 | 0 | 112.2 | E42 R86 | Q38-E42 PolarHBondContact NE2-OE1 3.32Å; Q38-E42 WeakPolarHBondContact O-CG 3.3Å; Q38-E42 PolarHBondContact O-N 3.5Å; Q38-R86 VanDerWaalsContact C-NH1 3.27Å; Q38-R86 VanDerWaalsContact CA-CZ 3.42Å; Q38-R86 PolarHBondContact O-NH1 3.38Å; Q38-R86 VanDerWaalsContact OE1-NH1 3.16Å |
| 39 | E | 71.4 | Confident | 73 | Confident | 125 Ų | 125 | 73.6 Ų | 73.6 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.7 | -43.2 | -174.4 | -54.8 | 71.4 | -150.8 | 0 | 0 | 110.2 | S37 E42 C43 | S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 WeakPolarHBondContact CB-OE2 3.42Å; S37-E39 PolarHBondContact O-N 3.25Å; S37-E39 PolarHBondContact OG-N 2.99Å; S37-E39 PolarHBondContact OG-OE2 3.38Å; E39-E42 PolarHBondContact O-N 3.11Å; E39-C43 PolarHBondContact O-N 2.79Å; E39-C43 VanDerWaalsContact O-N 3.1Å; E39-C43 PolarHBondContact O-SG 3.29Å |
| 40 | E | 76.8 | Confident | 73.7 | Confident | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | -178.1 | -70.5 | 173.9 | 147.3 | 0 | 0 | 112.6 | F36 S37 E42 C43 L44 | F36-E40 HydrophobicContact CB-CB 4.21Å; F36-E40 HydrophobicContact CD1-CB 4.03Å; S37-E40 PolarHBondContact N-OE2 2.99Å; S37-E40 PolarHBondContact O-N 2.86Å; S37-E40 WeakPolarHBondContact OG-CG 3.16Å; S37-E40 PolarHBondContact OG-N 3.45Å; E40-E42 PolarHBondContact O-N 3.27Å; E40-C43 WeakPolarHBondContact O-CB 3.43Å; E40-C43 PolarHBondContact O-N 2.89Å; E40-L44 PolarHBondContact O-N 3.16Å |
| 41 | W | 77.9 | Confident | 74.4 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 178.5 | 179.9 | -88 | 0 | 0 | 0 | 112.9 | F36 S37 C43 L44 R49 Y52 R86 F88 | F36-W41 HydrophobicContact CB-CB 4.24Å; F36-W41 HydrophobicContact CB-CE3 4.33Å; F36-W41 AromaticContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CZ3 4.23Å; F36-W41 HydrophobicContact CG-CE3 4.44Å; S37-W41 PolarHBondContact O-N 2.88Å; S37-W41 VanDerWaalsContact O-N 3.16Å; W41-C43 PolarHBondContact O-N 3.35Å; W41-L44 HydrophobicContact CD2-CD1 4.27Å; W41-L44 HydrophobicContact CE3-CD1 3.74Å; W41-L44 HydrophobicContact CZ3-CD1 4.27Å; W41-L44 WeakPolarHBondContact O-CB 3.49Å; W41-L44 PolarHBondContact O-N 2.63Å; W41-R49 HydrophobicContact CD2-CG 4.2Å; W41-R49 HydrophobicContact CH2-CB 4.16Å; W41-R49 HydrophobicContact CH2-CG 4.29Å; W41-R49 HydrophobicContact CZ2-CB 4Å; W41-R49 HydrophobicContact CZ2-CG 3.95Å; W41-R49 PolarHBondContact O-NE 2.86Å; W41-R49 PolarHBondContact O-NH2 3.21Å; W41-Y52 AromaticContact CH2-CD1 3.87Å; W41-Y52 HydrophobicContact CH2-CD1 3.87Å; W41-Y52 HydrophobicContact CH2-CE1 4.2Å; W41-Y52 AromaticContact CZ3-CD1 3.38Å; W41-Y52 HydrophobicContact CZ3-CD1 3.38Å; W41-Y52 AromaticContact CZ3-CE1 3.54Å; W41-Y52 HydrophobicContact CZ3-CE1 3.54Å; W41-Y52 HydrophobicContact CZ3-CG 4.36Å; W41-R86 HydrophobicContact CB-CB 4.33Å; W41-R86 HydrophobicContact CB-CG 4.32Å; W41-R86 HydrophobicContact CD2-CB 3.83Å; W41-R86 HydrophobicContact CD2-CG 3.64Å; W41-R86 HydrophobicContact CE3-CB 4.01Å; W41-R86 HydrophobicContact CE3-CG 4.31Å; W41-R86 HydrophobicContact CG-CB 4.06Å; W41-R86 HydrophobicContact CG-CG 3.7Å; W41-R86 HydrophobicContact CZ2-CG 4.2Å; W41-F88 AromaticContact CH2-CE2 3.74Å; W41-F88 HydrophobicContact CH2-CE2 3.74Å; W41-F88 HydrophobicContact CH2-CZ 4.06Å; W41-F88 AromaticContact CZ3-CE2 3.96Å; W41-F88 HydrophobicContact CZ3-CE2 3.96Å |
| 42 | E | 73.7 | Confident | 74.9 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.5 | -30.9 | 175.1 | -78.4 | 178.4 | -163.2 | 0 | 0 | 111.6 | Q38 E39 E40 R49 R86 | Q38-E42 PolarHBondContact NE2-OE1 3.32Å; Q38-E42 WeakPolarHBondContact O-CG 3.3Å; Q38-E42 PolarHBondContact O-N 3.5Å; E39-E42 PolarHBondContact O-N 3.11Å; E40-E42 PolarHBondContact O-N 3.27Å; E42-R49 VanDerWaalsContact C-NH2 3.35Å; E42-R49 VanDerWaalsContact CA-NH2 3.28Å; E42-R49 PolarHBondContact O-NH2 3.08Å; E42-R86 IonicContact OE1-NH1 3.99Å |
| 43 | C | 77.4 | Confident | 75.3 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 75% | 0.75 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.6 | -18.4 | 173 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | E39 E40 W41 | E39-C43 PolarHBondContact O-N 2.79Å; E39-C43 VanDerWaalsContact O-N 3.1Å; E39-C43 PolarHBondContact O-SG 3.29Å; E40-C43 WeakPolarHBondContact O-CB 3.43Å; E40-C43 PolarHBondContact O-N 2.89Å; W41-C43 PolarHBondContact O-N 3.35Å |
| 44 | L | 78.6 | Confident | 75.8 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -69.6 | 132.4 | 176.1 | -66.8 | 174.6 | 0 | 0 | 0 | 111.1 | F36 E40 W41 Q48 R49 | F36-L44 HydrophobicContact CD1-CD1 4.43Å; F36-L44 HydrophobicContact CD2-CD1 3.99Å; F36-L44 HydrophobicContact CE1-CD1 4.33Å; F36-L44 HydrophobicContact CE2-CD1 3.86Å; F36-L44 HydrophobicContact CG-CD1 4.26Å; F36-L44 HydrophobicContact CZ-CD1 4.05Å; E40-L44 PolarHBondContact O-N 3.16Å; W41-L44 HydrophobicContact CD2-CD1 4.27Å; W41-L44 HydrophobicContact CE3-CD1 3.74Å; W41-L44 HydrophobicContact CZ3-CD1 4.27Å; W41-L44 WeakPolarHBondContact O-CB 3.49Å; W41-L44 PolarHBondContact O-N 2.63Å; L44-Q48 HydrophobicContact CB-CB 4.28Å; L44-Q48 HydrophobicContact CD2-CB 4.08Å; L44-R49 HydrophobicContact CB-CG 3.62Å; L44-R49 HydrophobicContact CD1-CG 4.21Å; L44-R49 VanDerWaalsContact O-CZ 3.3Å; L44-R49 PolarHBondContact O-NE 2.79Å; L44-R49 VanDerWaalsContact O-NE 3.11Å; L44-R49 PolarHBondContact O-NH2 3.48Å; L44-R49 VanDerWaalsContact O-NH2 3.1Å |
| 45 | G | 81.8 | Confident | 76.2 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | -65.9 | 158.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A47 Q48 R49 | G45-A47 VanDerWaalsContact C-N 3.29Å; G45-A47 PolarHBondContact O-N 3.22Å; G45-Q48 PolarHBondContact O-N 2.72Å; G45-R49 PolarHBondContact O-N 3.5Å | ||
| 46 | P | 76.4 | Confident | 76.5 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 66% | 0.662 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.3 | -45.9 | 179.6 | -26.8 | 33.9 | 0 | 0 | 0 | 113.3 | Q48 R49 D50 | P46-Q48 VanDerWaalsContact C-N 3.33Å; P46-Q48 PolarHBondContact O-N 3.38Å; P46-R49 PolarHBondContact O-N 2.72Å; P46-D50 PolarHBondContact O-N 2.88Å |
| 47 | A | 78.4 | Confident | 76.5 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.9 | -32.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G45 L51 | G45-A47 VanDerWaalsContact C-N 3.29Å; G45-A47 PolarHBondContact O-N 3.22Å; A47-L51 WeakPolarHBondContact O-CB 3.27Å; A47-L51 PolarHBondContact O-N 3.26Å |
| 48 | Q | 76.7 | Confident | 76.7 | Confident | 110 Ų | 110 | 74 Ų | 74 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74 | -37.2 | 176.8 | -74.3 | 175.7 | -28.4 | 0 | 0 | 111.7 | L44 G45 P46 D50 Y52 | L44-Q48 HydrophobicContact CB-CB 4.28Å; L44-Q48 HydrophobicContact CD2-CB 4.08Å; G45-Q48 PolarHBondContact O-N 2.72Å; P46-Q48 VanDerWaalsContact C-N 3.33Å; P46-Q48 PolarHBondContact O-N 3.38Å; Q48-D50 VanDerWaalsContact C-N 3.32Å; Q48-Y52 WeakPolarHBondContact O-CB 3.42Å; Q48-Y52 PolarHBondContact O-N 3.07Å |
| 49 | R | 77.6 | Confident | 77.1 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 174.9 | -66 | 179.6 | -174.9 | 160.7 | 11.5 | 111.6 | W41 E42 L44 G45 P46 K53 | W41-R49 HydrophobicContact CD2-CG 4.2Å; W41-R49 HydrophobicContact CH2-CB 4.16Å; W41-R49 HydrophobicContact CH2-CG 4.29Å; W41-R49 HydrophobicContact CZ2-CB 4Å; W41-R49 HydrophobicContact CZ2-CG 3.95Å; W41-R49 PolarHBondContact O-NE 2.86Å; W41-R49 PolarHBondContact O-NH2 3.21Å; E42-R49 VanDerWaalsContact C-NH2 3.35Å; E42-R49 VanDerWaalsContact CA-NH2 3.28Å; E42-R49 PolarHBondContact O-NH2 3.08Å; L44-R49 HydrophobicContact CB-CG 3.62Å; L44-R49 HydrophobicContact CD1-CG 4.21Å; L44-R49 VanDerWaalsContact O-CZ 3.3Å; L44-R49 PolarHBondContact O-NE 2.79Å; L44-R49 VanDerWaalsContact O-NE 3.11Å; L44-R49 PolarHBondContact O-NH2 3.48Å; L44-R49 VanDerWaalsContact O-NH2 3.1Å; G45-R49 PolarHBondContact O-N 3.5Å; P46-R49 PolarHBondContact O-N 2.72Å; R49-K53 VanDerWaalsContact O-CG 3.3Å; R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 3.42Å; R49-K53 VanDerWaalsContact O-N 3.08Å |
| 50 | D | 78.9 | Confident | 77.1 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70 | -46.5 | 177.4 | -68.3 | -19.9 | 0 | 0 | 0 | 111.1 | P46 Q48 Y52 K53 D54 | P46-D50 PolarHBondContact O-N 2.88Å; Q48-D50 VanDerWaalsContact C-N 3.32Å; D50-Y52 VanDerWaalsContact C-N 3.3Å; D50-Y52 PolarHBondContact O-N 3.41Å; D50-K53 WeakPolarHBondContact O-CB 3.4Å; D50-K53 PolarHBondContact O-N 2.95Å; D50-K53 VanDerWaalsContact O-N 3.11Å; D50-K53 IonicContact OD1-NZ 3.38Å; D50-K53 PolarHBondContact OD1-NZ 2.89Å; D50-D54 PolarHBondContact O-N 3.3Å |
| 51 | L | 79.7 | Confident | 76.8 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.5 | -43.1 | 174.2 | -179.3 | 65 | 0 | 0 | 0 | 112.3 | A47 K53 D54 V55 | A47-L51 WeakPolarHBondContact O-CB 3.27Å; A47-L51 PolarHBondContact O-N 3.26Å; L51-K53 PolarHBondContact O-N 3.21Å; L51-D54 PolarHBondContact O-N 2.84Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.4Å |
| 52 | Y | 78.3 | Confident | 76.7 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 9% | 0.086 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 177.9 | 170.9 | -98.1 | 0 | 0 | 0 | 112 | L34 F36 W41 Q48 D50 D54 V55 M56 F88 | L34-Y52 HydrophobicContact CB-CE2 4.39Å; L34-Y52 WeakPolarHBondContact O-CE2 3.19Å; L34-Y52 PolarHBondContact O-OH 3.3Å; F36-Y52 HydrophobicContact CD2-CD1 4.46Å; F36-Y52 HydrophobicContact CD2-CD2 4.3Å; F36-Y52 HydrophobicContact CD2-CE1 4.11Å; F36-Y52 HydrophobicContact CD2-CE2 4.01Å; F36-Y52 HydrophobicContact CD2-CG 4.48Å; F36-Y52 AromaticContact CD2-CZ 3.91Å; F36-Y52 HydrophobicContact CE2-CD1 4.23Å; F36-Y52 AromaticContact CE2-CD2 3.49Å; F36-Y52 HydrophobicContact CE2-CD2 3.49Å; F36-Y52 VanDerWaalsContact CE2-CD2 3.49Å; F36-Y52 HydrophobicContact CE2-CE1 4.21Å; F36-Y52 AromaticContact CE2-CE2 3.54Å; F36-Y52 HydrophobicContact CE2-CE2 3.54Å; F36-Y52 AromaticContact CE2-CG 3.83Å; F36-Y52 HydrophobicContact CE2-CG 3.83Å; F36-Y52 AromaticContact CE2-CZ 3.92Å; F36-Y52 HydrophobicContact CZ-CD2 4.38Å; W41-Y52 AromaticContact CH2-CD1 3.87Å; W41-Y52 HydrophobicContact CH2-CD1 3.87Å; W41-Y52 HydrophobicContact CH2-CE1 4.2Å; W41-Y52 AromaticContact CZ3-CD1 3.38Å; W41-Y52 HydrophobicContact CZ3-CD1 3.38Å; W41-Y52 AromaticContact CZ3-CE1 3.54Å; W41-Y52 HydrophobicContact CZ3-CE1 3.54Å; W41-Y52 HydrophobicContact CZ3-CG 4.36Å; Q48-Y52 WeakPolarHBondContact O-CB 3.42Å; Q48-Y52 PolarHBondContact O-N 3.07Å; D50-Y52 VanDerWaalsContact C-N 3.3Å; D50-Y52 PolarHBondContact O-N 3.41Å; Y52-D54 VanDerWaalsContact C-N 3.32Å; Y52-D54 PolarHBondContact O-N 2.99Å; Y52-V55 PolarHBondContact O-N 3.46Å; Y52-M56 HydrophobicContact CD1-CG 4.11Å; Y52-M56 HydrophobicContact CD2-CG 4.04Å; Y52-M56 HydrophobicContact CD2-SD 4.44Å; Y52-M56 HydrophobicContact CE1-CG 3.74Å; Y52-M56 HydrophobicContact CE2-CG 3.62Å; Y52-M56 HydrophobicContact CE2-SD 3.73Å; Y52-M56 HydrophobicContact CG-CG 4.3Å; Y52-M56 VanDerWaalsContact CZ-CG 3.46Å; Y52-M56 WeakPolarHBondContact O-CB 2.96Å; Y52-M56 VanDerWaalsContact O-CG 3.23Å; Y52-M56 WeakPolarHBondContact O-CG 3.25Å; Y52-M56 PolarHBondContact O-N 2.88Å; Y52-F88 HydrophobicContact CD1-CD2 4.33Å; Y52-F88 AromaticContact CD1-CE2 3.93Å; Y52-F88 HydrophobicContact CD1-CE2 3.93Å; Y52-F88 HydrophobicContact CD1-CZ 4.43Å; Y52-F88 AromaticContact CE1-CD2 3.31Å; Y52-F88 HydrophobicContact CE1-CD2 3.31Å; Y52-F88 AromaticContact CE1-CE2 3.28Å; Y52-F88 HydrophobicContact CE1-CE2 3.28Å; Y52-F88 HydrophobicContact CE1-CG 4.21Å; Y52-F88 HydrophobicContact CE1-CZ 4.12Å; Y52-F88 AromaticContact CZ-CD2 3.88Å |
| 53 | K | 75.8 | Confident | 76.4 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 172.9 | -73.8 | 166.6 | -172 | 162.5 | 0 | 111.7 | R49 D50 L51 M56 L57 F88 | R49-K53 VanDerWaalsContact O-CG 3.3Å; R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 3.42Å; R49-K53 VanDerWaalsContact O-N 3.08Å; D50-K53 WeakPolarHBondContact O-CB 3.4Å; D50-K53 PolarHBondContact O-N 2.95Å; D50-K53 VanDerWaalsContact O-N 3.11Å; D50-K53 IonicContact OD1-NZ 3.38Å; D50-K53 PolarHBondContact OD1-NZ 2.89Å; L51-K53 PolarHBondContact O-N 3.21Å; K53-M56 PolarHBondContact O-N 3.29Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 VanDerWaalsContact O-CG 3.27Å; K53-L57 WeakPolarHBondContact O-CG 3.23Å; K53-L57 PolarHBondContact O-N 2.52Å; K53-F88 HydrophobicContact CG-CE1 4.18Å; K53-F88 HydrophobicContact CG-CZ 3.78Å |
| 54 | D | 79.2 | Confident | 75.7 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 179.5 | -67.9 | -18.8 | 0 | 0 | 0 | 110.9 | D50 L51 Y52 M56 L57 E58 | D50-D54 PolarHBondContact O-N 3.3Å; L51-D54 PolarHBondContact O-N 2.84Å; Y52-D54 VanDerWaalsContact C-N 3.32Å; Y52-D54 PolarHBondContact O-N 2.99Å; D54-M56 PolarHBondContact O-N 3.29Å; D54-L57 PolarHBondContact O-N 3.41Å; D54-E58 PolarHBondContact O-N 2.93Å |
| 55 | V | 79.9 | Confident | 75.1 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L51 Y52 E58 N59 | L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.4Å; Y52-V55 PolarHBondContact O-N 3.46Å; V55-E58 PolarHBondContact O-N 3Å; V55-N59 WeakPolarHBondContact O-CB 3.38Å; V55-N59 VanDerWaalsContact O-CG 3.27Å; V55-N59 PolarHBondContact O-N 3.35Å |
| 56 | M | 77.3 | Confident | 74.3 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.9 | -70.9 | -45.2 | -58.3 | 0 | 0 | 112.1 | F29 S33 Y52 K53 D54 N59 Y60 F88 | F29-M56 HydrophobicContact CE1-CE 4.1Å; F29-M56 HydrophobicContact CE2-CE 3.69Å; F29-M56 HydrophobicContact CZ-CE 3.14Å; S33-M56 VanDerWaalsContact CB-CE 3.43Å; Y52-M56 HydrophobicContact CD1-CG 4.11Å; Y52-M56 HydrophobicContact CD2-CG 4.04Å; Y52-M56 HydrophobicContact CD2-SD 4.44Å; Y52-M56 HydrophobicContact CE1-CG 3.74Å; Y52-M56 HydrophobicContact CE2-CG 3.62Å; Y52-M56 HydrophobicContact CE2-SD 3.73Å; Y52-M56 HydrophobicContact CG-CG 4.3Å; Y52-M56 VanDerWaalsContact CZ-CG 3.46Å; Y52-M56 WeakPolarHBondContact O-CB 2.96Å; Y52-M56 VanDerWaalsContact O-CG 3.23Å; Y52-M56 WeakPolarHBondContact O-CG 3.25Å; Y52-M56 PolarHBondContact O-N 2.88Å; K53-M56 PolarHBondContact O-N 3.29Å; D54-M56 PolarHBondContact O-N 3.29Å; M56-N59 PolarHBondContact O-N 2.99Å; M56-Y60 HydrophobicContact CE-CE2 4.46Å; M56-Y60 WeakPolarHBondContact O-CD2 3.46Å; M56-Y60 PolarHBondContact O-N 3.05Å; M56-F88 HydrophobicContact CB-CD1 4.26Å; M56-F88 HydrophobicContact CB-CG 4.46Å; M56-F88 HydrophobicContact CE-CB 4.24Å; M56-F88 HydrophobicContact CG-CG 4.28Å |
| 57 | L | 73.1 | Confident | 73.5 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175 | -79 | 168.9 | 0 | 0 | 0 | 112 | K53 D54 Y60 S61 I77 V80 | K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 VanDerWaalsContact O-CG 3.27Å; K53-L57 WeakPolarHBondContact O-CG 3.23Å; K53-L57 PolarHBondContact O-N 2.52Å; D54-L57 PolarHBondContact O-N 3.41Å; L57-Y60 PolarHBondContact O-N 3.09Å; L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.4Å; L57-I77 HydrophobicContact CD2-CG2 4.04Å; L57-V80 HydrophobicContact CD2-CB 3.96Å; L57-V80 HydrophobicContact CD2-CG1 3.36Å; L57-V80 HydrophobicContact CG-CG1 3.66Å |
| 58 | E | 75.7 | Confident | 72.3 | Confident | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 176.6 | -168.1 | 176.4 | 165.6 | 0 | 0 | 111.2 | D54 V55 Y60 S61 N62 | D54-E58 PolarHBondContact O-N 2.93Å; V55-E58 PolarHBondContact O-N 3Å; E58-Y60 VanDerWaalsContact C-N 3.34Å; E58-Y60 PolarHBondContact O-N 3.44Å; E58-S61 PolarHBondContact O-N 2.89Å; E58-N62 WeakPolarHBondContact O-CB 3.47Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.4Å |
| 59 | N | 74.8 | Confident | 71.2 | Confident | 39 Ų | 39 | 71 Ų | 71 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 174.9 | -74.3 | -14.2 | 0 | 0 | 0 | 112.3 | V32 V55 M56 L63 | V32-N59 PolarHBondContact O-ND2 2.72Å; V55-N59 WeakPolarHBondContact O-CB 3.38Å; V55-N59 VanDerWaalsContact O-CG 3.27Å; V55-N59 PolarHBondContact O-N 3.35Å; M56-N59 PolarHBondContact O-N 2.99Å; N59-L63 WeakPolarHBondContact O-CG 3.28Å; N59-L63 PolarHBondContact O-N 3.33Å |
| 60 | Y | 70.6 | Confident | 69.9 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.012 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.7 | -75.8 | -58 | 0 | 0 | 0 | 112.3 | F29 M56 L57 E58 N62 L63 L64 V80 F88 F92 | F29-Y60 HydrophobicContact CD2-CD1 4.08Å; F29-Y60 AromaticContact CD2-CE1 3.59Å; F29-Y60 HydrophobicContact CD2-CE1 3.59Å; F29-Y60 HydrophobicContact CE1-CE1 4.04Å; F29-Y60 AromaticContact CE1-CZ 3.91Å; F29-Y60 VanDerWaalsContact CE1-OH 3.3Å; F29-Y60 WeakPolarHBondContact CE1-OH 3.28Å; F29-Y60 AromaticContact CE2-CD1 3.61Å; F29-Y60 HydrophobicContact CE2-CD1 3.61Å; F29-Y60 HydrophobicContact CE2-CD2 4.42Å; F29-Y60 AromaticContact CE2-CE1 3.01Å; F29-Y60 HydrophobicContact CE2-CE1 3.01Å; F29-Y60 AromaticContact CE2-CE2 4Å; F29-Y60 HydrophobicContact CE2-CE2 4Å; F29-Y60 HydrophobicContact CE2-CG 4.25Å; F29-Y60 AromaticContact CE2-CZ 3.3Å; F29-Y60 HydrophobicContact CG-CE1 4.3Å; F29-Y60 HydrophobicContact CZ-CD1 4.26Å; F29-Y60 AromaticContact CZ-CE1 3.27Å; F29-Y60 HydrophobicContact CZ-CE1 3.27Å; F29-Y60 AromaticContact CZ-CE2 3.86Å; F29-Y60 HydrophobicContact CZ-CE2 3.86Å; F29-Y60 AromaticContact CZ-CZ 3.06Å; F29-Y60 WeakPolarHBondContact CZ-OH 3.32Å; M56-Y60 HydrophobicContact CE-CE2 4.46Å; M56-Y60 WeakPolarHBondContact O-CD2 3.46Å; M56-Y60 PolarHBondContact O-N 3.05Å; L57-Y60 PolarHBondContact O-N 3.09Å; E58-Y60 VanDerWaalsContact C-N 3.34Å; E58-Y60 PolarHBondContact O-N 3.44Å; Y60-N62 VanDerWaalsContact C-N 3.26Å; Y60-N62 PolarHBondContact O-N 3.32Å; Y60-L63 PolarHBondContact O-N 2.92Å; Y60-L64 WeakPolarHBondContact O-CB 3.25Å; Y60-L64 WeakPolarHBondContact O-CD1 3.08Å; Y60-L64 WeakPolarHBondContact O-CG 3.44Å; Y60-L64 PolarHBondContact O-N 2.92Å; Y60-V80 HydrophobicContact CD2-CG1 4.37Å; Y60-V80 HydrophobicContact CD2-CG2 4.1Å; Y60-V80 HydrophobicContact CE2-CG1 4.28Å; Y60-V80 HydrophobicContact CE2-CG2 3.64Å; Y60-F88 PolarHBondContact OH-O 3.15Å; Y60-F92 AromaticContact CD1-CD2 3.41Å; Y60-F92 HydrophobicContact CD1-CD2 3.41Å; Y60-F92 VanDerWaalsContact CD1-CD2 3.41Å; Y60-F92 AromaticContact CD1-CE2 3.67Å; Y60-F92 HydrophobicContact CD1-CE2 3.67Å; Y60-F92 HydrophobicContact CD1-CG 4.2Å; Y60-F92 HydrophobicContact CE1-CB 3.43Å; Y60-F92 VanDerWaalsContact CE1-CB 3.43Å; Y60-F92 HydrophobicContact CE1-CD1 4.27Å; Y60-F92 AromaticContact CE1-CD2 3Å; Y60-F92 HydrophobicContact CE1-CD2 3Å; Y60-F92 AromaticContact CE1-CE2 3.66Å; Y60-F92 HydrophobicContact CE1-CE2 3.66Å; Y60-F92 AromaticContact CE1-CG 3.34Å; Y60-F92 HydrophobicContact CE1-CG 3.34Å; Y60-F92 VanDerWaalsContact OH-CB 3.24Å; Y60-F92 WeakPolarHBondContact OH-CB 3.43Å |
| 61 | S | 72 | Confident | 68.5 | Low | 61 Ų | 61 | 73.2 Ų | 73.2 | 43% | 0.427 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 179 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | L57 E58 L64 S65 | L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.4Å; E58-S61 PolarHBondContact O-N 2.89Å; S61-L64 PolarHBondContact O-N 2.91Å; S61-S65 PolarHBondContact O-N 3.43Å |
| 62 | N | 74.3 | Confident | 67.3 | Low | 81 Ų | 81 | 69.3 Ų | 69.3 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 178.8 | -69.1 | -19.9 | 0 | 0 | 0 | 112.1 | E58 Y60 L64 S65 V66 | E58-N62 WeakPolarHBondContact O-CB 3.47Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.4Å; Y60-N62 VanDerWaalsContact C-N 3.26Å; Y60-N62 PolarHBondContact O-N 3.32Å; N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.9Å; N62-S65 WeakPolarHBondContact O-CB 3.45Å; N62-S65 PolarHBondContact O-N 2.83Å; N62-S65 VanDerWaalsContact O-N 3.16Å; N62-V66 WeakPolarHBondContact O-CG2 3.42Å; N62-V66 PolarHBondContact O-N 3.37Å |
| 63 | L | 66.9 | Low | 66.2 | Low | 51 Ų | 51 | 69.8 Ų | 69.8 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 174 | -74.1 | 167.4 | 0 | 0 | 0 | 112.3 | F29 V32 N59 Y60 S65 V66 G67 | F29-L63 HydrophobicContact CB-CD1 4.13Å; F29-L63 HydrophobicContact CD2-CD1 3.49Å; F29-L63 VanDerWaalsContact CD2-CD1 3.49Å; F29-L63 HydrophobicContact CE2-CD1 4.4Å; F29-L63 HydrophobicContact CG-CD1 4.31Å; V32-L63 HydrophobicContact CG2-CD1 4.22Å; N59-L63 WeakPolarHBondContact O-CG 3.28Å; N59-L63 PolarHBondContact O-N 3.33Å; Y60-L63 PolarHBondContact O-N 2.92Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-V66 PolarHBondContact O-N 2.91Å; L63-G67 PolarHBondContact O-N 3.33Å |
| 64 | L | 64.8 | Low | 65.3 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 23% | 0.23 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.4 | -30.8 | 172.5 | -67.6 | 165.7 | 0 | 0 | 0 | 112.5 | Y60 S61 N62 V66 I77 | Y60-L64 WeakPolarHBondContact O-CB 3.25Å; Y60-L64 WeakPolarHBondContact O-CD1 3.08Å; Y60-L64 WeakPolarHBondContact O-CG 3.44Å; Y60-L64 PolarHBondContact O-N 2.92Å; S61-L64 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.9Å; L64-V66 PolarHBondContact O-N 3.36Å; L64-I77 HydrophobicContact CD1-CD1 3.84Å; L64-I77 HydrophobicContact CD1-CG1 4.23Å |
| 65 | S | 64.7 | Low | 64.4 | Low | 104 Ų | 104 | 69.6 Ų | 69.6 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.4 | -24.3 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | S61 N62 L63 | S61-S65 PolarHBondContact O-N 3.43Å; N62-S65 WeakPolarHBondContact O-CB 3.45Å; N62-S65 PolarHBondContact O-N 2.83Å; N62-S65 VanDerWaalsContact O-N 3.16Å; L63-S65 VanDerWaalsContact C-N 3.33Å |
| 66 | V | 65 | Low | 63.5 | Low | 127 Ų | 127 | 66.7 Ų | 66.7 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -97.1 | -28.2 | 179.6 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | N62 L63 L64 | N62-V66 WeakPolarHBondContact O-CG2 3.42Å; N62-V66 PolarHBondContact O-N 3.37Å; L63-V66 PolarHBondContact O-N 2.91Å; L64-V66 PolarHBondContact O-N 3.36Å |
| 67 | G | 60 | Low | 62.9 | Low | 36 Ų | 36 | 69.4 Ų | 69.4 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -89 | 128.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 D69 | L63-G67 PolarHBondContact O-N 3.33Å; G67-D69 PolarHBondContact O-N 2.83Å |
| 68 | K | 53.4 | Low | 62.5 | Low | 199 Ų | 199 | 70.8 Ų | 70.8 | 87% | 0.865 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -72.1 | 7.1 | -176.4 | -75 | 177.6 | 175.9 | 175.4 | 0 | 115.4 | ||
| 69 | D | 52.8 | Low | 62 | Low | 110 Ų | 110 | 65.8 Ų | 65.8 | 59% | 0.588 | 40% | 0.399 | S | S | * | . | trans | -105.5 | 88.4 | -169.5 | -61.1 | -34.7 | 0 | 0 | 0 | 111.7 | G67 C71 I72 | G67-D69 PolarHBondContact O-N 2.83Å; D69-C71 PolarHBondContact O-N 3.22Å; D69-I72 HydrophobicContact CB-CD1 4.32Å | ||
| 70 | T | 50.9 | Low | 61.4 | Low | 118 Ų | 118 | 64 Ų | 64 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.5 | -169.2 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | S73 | T70-S73 PolarHBondContact O-OG 3.23Š|
| 71 | C | 48.6 | Very low | 61.1 | Low | 75 Ų | 75 | 66.5 Ų | 66.5 | 51% | 0.507 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -22.6 | -175.9 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | D69 S73 C100 | D69-C71 PolarHBondContact O-N 3.22Å; C71-S73 VanDerWaalsContact C-N 3.33Å; C71-C100 PolarHBondContact O-SG 3.16Å |
| 72 | I | 54.3 | Low | 60.7 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 15% | 0.154 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -81.3 | -18.2 | -177.1 | -56.8 | 172.1 | 0 | 0 | 0 | 111.4 | D69 A76 C95 | D69-I72 HydrophobicContact CB-CD1 4.32Å; I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.91Å; I72-C95 HydrophobicContact CG2-CB 4.32Å; I72-C95 WeakPolarHBondContact CG2-O 3.47Å |
| 73 | S | 56.2 | Low | 60 | Low | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.5 | -53.5 | -166.2 | 62.7 | 0 | 0 | 0 | 0 | 115.3 | T70 C71 I77 | T70-S73 PolarHBondContact O-OG 3.23Å; C71-S73 VanDerWaalsContact C-N 3.33Å; S73-I77 WeakPolarHBondContact O-CD1 3.43Å; S73-I77 VanDerWaalsContact O-CG1 3.25Å; S73-I77 WeakPolarHBondContact O-CG1 3.23Å; S73-I77 PolarHBondContact O-N 3.46Å; S73-I77 VanDerWaalsContact O-N 3.15Å |
| 74 | S | 57.6 | Low | 59.7 | Low | 80 Ų | 80 | 64.6 Ų | 64.6 | 56% | 0.559 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.3 | -34.6 | -170 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | S78 | S74-S78 VanDerWaalsContact O-CB 3.28Å; S74-S78 WeakPolarHBondContact O-CB 3.37Å; S74-S78 PolarHBondContact O-N 3.25Å; S74-S78 PolarHBondContact O-OG 3.09Å |
| 75 | A | 59.9 | Low | 59.4 | Low | 45 Ų | 45 | 64.9 Ų | 64.9 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.9 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | S78 A79 | A75-S78 PolarHBondContact O-N 2.75Å; A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.31Å; A75-A79 PolarHBondContact O-N 3.05Å |
| 76 | A | 61.2 | Low | 59.2 | Low | 5 Ų | 5 | 60.8 Ų | 60.8 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I72 S78 A79 V80 C95 | I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.91Å; A76-S78 VanDerWaalsContact C-N 3.31Å; A76-S78 PolarHBondContact O-N 2.87Å; A76-A79 PolarHBondContact O-N 3.1Å; A76-V80 WeakPolarHBondContact O-CB 3.3Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.23Å; A76-V80 PolarHBondContact O-N 3.16Å; A76-C95 VanDerWaalsContact CA-SG 3.57Å; A76-C95 HydrophobicContact CB-CB 3.75Å |
| 77 | I | 63.6 | Low | 59 | Low | 58 Ų | 58 | 58.5 Ų | 58.5 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.9 | -69.7 | 168.5 | 0 | 0 | 0 | 110.7 | L57 L64 S73 S81 | L57-I77 HydrophobicContact CD2-CG2 4.04Å; L64-I77 HydrophobicContact CD1-CD1 3.84Å; L64-I77 HydrophobicContact CD1-CG1 4.23Å; S73-I77 WeakPolarHBondContact O-CD1 3.43Å; S73-I77 VanDerWaalsContact O-CG1 3.25Å; S73-I77 WeakPolarHBondContact O-CG1 3.23Å; S73-I77 PolarHBondContact O-N 3.46Å; S73-I77 VanDerWaalsContact O-N 3.15Å; I77-S81 VanDerWaalsContact O-CB 3.28Å; I77-S81 WeakPolarHBondContact O-CB 3.06Å; I77-S81 PolarHBondContact O-N 3.31Å; I77-S81 PolarHBondContact O-OG 2.85Å |
| 78 | S | 66.1 | Low | 59.2 | Low | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | S74 A75 A76 S81 A82 | S74-S78 VanDerWaalsContact O-CB 3.28Å; S74-S78 WeakPolarHBondContact O-CB 3.37Å; S74-S78 PolarHBondContact O-N 3.25Å; S74-S78 PolarHBondContact O-OG 3.09Å; A75-S78 PolarHBondContact O-N 2.75Å; A76-S78 VanDerWaalsContact C-N 3.31Å; A76-S78 PolarHBondContact O-N 2.87Å; S78-S81 PolarHBondContact O-N 2.95Å; S78-A82 VanDerWaalsContact O-CB 3.25Å; S78-A82 WeakPolarHBondContact O-CB 3.28Å; S78-A82 PolarHBondContact O-N 3.21Å |
| 79 | A | 63.9 | Low | 59.6 | Low | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A75 A76 A82 S83 F103 | A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.31Å; A75-A79 PolarHBondContact O-N 3.05Å; A76-A79 PolarHBondContact O-N 3.1Å; A79-A82 PolarHBondContact O-N 2.94Å; A79-S83 WeakPolarHBondContact O-CA 2.83Å; A79-S83 WeakPolarHBondContact O-CB 3.24Å; A79-S83 PolarHBondContact O-N 3.14Å; A79-F103 HydrophobicContact CB-CE1 4.43Å |
| 80 | V | 61.9 | Low | 60 | Low | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176 | 163.2 | 0 | 0 | 0 | 0 | 111.5 | L57 Y60 A76 S83 F88 A91 | L57-V80 HydrophobicContact CD2-CB 3.96Å; L57-V80 HydrophobicContact CD2-CG1 3.36Å; L57-V80 HydrophobicContact CG-CG1 3.66Å; Y60-V80 HydrophobicContact CD2-CG1 4.37Å; Y60-V80 HydrophobicContact CD2-CG2 4.1Å; Y60-V80 HydrophobicContact CE2-CG1 4.28Å; Y60-V80 HydrophobicContact CE2-CG2 3.64Å; A76-V80 WeakPolarHBondContact O-CB 3.3Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.23Å; A76-V80 PolarHBondContact O-N 3.16Å; V80-S83 WeakPolarHBondContact O-CB 3.14Å; V80-S83 PolarHBondContact O-N 3.22Å; V80-F88 HydrophobicContact CB-CD1 4.42Å; V80-F88 HydrophobicContact CG1-CD1 3.74Å; V80-F88 HydrophobicContact CG1-CE1 3.72Å; V80-F88 HydrophobicContact CG2-CD1 4.13Å; V80-A91 HydrophobicContact CG2-CB 4.43Å |
| 81 | S | 64.4 | Low | 60.5 | Low | 54 Ų | 54 | 41.4 Ų | 41.4 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | I77 S78 | I77-S81 VanDerWaalsContact O-CB 3.28Å; I77-S81 WeakPolarHBondContact O-CB 3.06Å; I77-S81 PolarHBondContact O-N 3.31Å; I77-S81 PolarHBondContact O-OG 2.85Å; S78-S81 PolarHBondContact O-N 2.95Å |
| 82 | A | 63.3 | Low | 60.9 | Low | 65 Ų | 65 | 39.7 Ų | 39.7 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -81.3 | -19.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S78 A79 S84 | S78-A82 VanDerWaalsContact O-CB 3.25Å; S78-A82 WeakPolarHBondContact O-CB 3.28Å; S78-A82 PolarHBondContact O-N 3.21Å; A79-A82 PolarHBondContact O-N 2.94Å; A82-S84 PolarHBondContact O-N 3.49Å |
| 83 | S | 61.5 | Low | 61 | Low | 11 Ų | 11 | 43.4 Ų | 43.4 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | trans | -67.5 | 123.7 | -176 | 178 | 0 | 0 | 0 | 0 | 111.3 | A79 V80 S85 | A79-S83 WeakPolarHBondContact O-CA 2.83Å; A79-S83 WeakPolarHBondContact O-CB 3.24Å; A79-S83 PolarHBondContact O-N 3.14Å; V80-S83 WeakPolarHBondContact O-CB 3.14Å; V80-S83 PolarHBondContact O-N 3.22Å; S83-S85 VanDerWaalsContact OG-CA 3.23Å; S83-S85 WeakPolarHBondContact OG-CA 3.24Å; S83-S85 WeakPolarHBondContact OG-CB 3.46Å; S83-S85 PolarHBondContact OG-N 2.75Å; S83-S85 PolarHBondContact OG-O 2.74Å | ||
| 84 | S | 60.2 | Low | 61.1 | Low | 77 Ų | 77 | 43.5 Ų | 43.5 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | trans | -84.3 | -2.5 | 157.2 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | A82 R120 | A82-S84 PolarHBondContact O-N 3.49Å; S84-R120 PolarHBondContact OG-NH1 3.45Å | ||
| 85 | S | 58.7 | Low | 60.8 | Low | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | trans | -78.9 | 163.4 | 179.9 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | S83 F88 | S83-S85 VanDerWaalsContact OG-CA 3.23Å; S83-S85 WeakPolarHBondContact OG-CA 3.24Å; S83-S85 WeakPolarHBondContact OG-CB 3.46Å; S83-S85 PolarHBondContact OG-N 2.75Å; S83-S85 PolarHBondContact OG-O 2.74Å; S85-F88 WeakPolarHBondContact O-CE2 3.46Å; S85-F88 VanDerWaalsContact O-CZ 3.25Å; S85-F88 WeakPolarHBondContact O-CZ 3.4Å | ||
| 86 | R | 60.6 | Low | 60.3 | Low | 18 Ų | 18 | 43.4 Ų | 43.4 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -124.7 | -14.1 | -155.1 | -38.9 | -174.8 | -74 | 123.8 | 84 | 110.3 | S37 Q38 W41 E42 F88 | S37-R86 VanDerWaalsContact C-NH2 3.28Å; S37-R86 PolarHBondContact O-NH2 3Å; Q38-R86 VanDerWaalsContact C-NH1 3.27Å; Q38-R86 VanDerWaalsContact CA-CZ 3.42Å; Q38-R86 PolarHBondContact O-NH1 3.38Å; Q38-R86 VanDerWaalsContact OE1-NH1 3.16Å; W41-R86 HydrophobicContact CB-CB 4.33Å; W41-R86 HydrophobicContact CB-CG 4.32Å; W41-R86 HydrophobicContact CD2-CB 3.83Å; W41-R86 HydrophobicContact CD2-CG 3.64Å; W41-R86 HydrophobicContact CE3-CB 4.01Å; W41-R86 HydrophobicContact CE3-CG 4.31Å; W41-R86 HydrophobicContact CG-CB 4.06Å; W41-R86 HydrophobicContact CG-CG 3.7Å; W41-R86 HydrophobicContact CZ2-CG 4.2Å; E42-R86 IonicContact OE1-NH1 3.99Å; R86-F88 WeakPolarHBondContact O-CD2 3.18Å; R86-F88 PolarHBondContact O-N 3.05Å |
| 87 | N | 60.2 | Low | 59.8 | Low | 80 Ų | 80 | 49.1 Ų | 49.1 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | trans | -95.4 | 74.4 | 174.7 | -58.6 | -43.1 | 0 | 0 | 0 | 108.1 | S89 A90 A91 | N87-S89 VanDerWaalsContact C-N 3.29Å; N87-A90 HydrophobicContact CB-CB 3.84Å; N87-A90 PolarHBondContact O-N 3.42Å; N87-A91 PolarHBondContact O-N 2.69Å; N87-A91 VanDerWaalsContact O-N 3.1Å | ||
| 88 | F | 63.8 | Low | 58.9 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 179.3 | -70.9 | -92.8 | 0 | 0 | 0 | 109.9 | W41 Y52 K53 M56 Y60 V80 S85 R86 A90 A91 F92 | W41-F88 AromaticContact CH2-CE2 3.74Å; W41-F88 HydrophobicContact CH2-CE2 3.74Å; W41-F88 HydrophobicContact CH2-CZ 4.06Å; W41-F88 AromaticContact CZ3-CE2 3.96Å; W41-F88 HydrophobicContact CZ3-CE2 3.96Å; Y52-F88 HydrophobicContact CD1-CD2 4.33Å; Y52-F88 AromaticContact CD1-CE2 3.93Å; Y52-F88 HydrophobicContact CD1-CE2 3.93Å; Y52-F88 HydrophobicContact CD1-CZ 4.43Å; Y52-F88 AromaticContact CE1-CD2 3.31Å; Y52-F88 HydrophobicContact CE1-CD2 3.31Å; Y52-F88 AromaticContact CE1-CE2 3.28Å; Y52-F88 HydrophobicContact CE1-CE2 3.28Å; Y52-F88 HydrophobicContact CE1-CG 4.21Å; Y52-F88 HydrophobicContact CE1-CZ 4.12Å; Y52-F88 AromaticContact CZ-CD2 3.88Å; K53-F88 HydrophobicContact CG-CE1 4.18Å; K53-F88 HydrophobicContact CG-CZ 3.78Å; M56-F88 HydrophobicContact CB-CD1 4.26Å; M56-F88 HydrophobicContact CB-CG 4.46Å; M56-F88 HydrophobicContact CE-CB 4.24Å; M56-F88 HydrophobicContact CG-CG 4.28Å; Y60-F88 PolarHBondContact OH-O 3.15Å; V80-F88 HydrophobicContact CB-CD1 4.42Å; V80-F88 HydrophobicContact CG1-CD1 3.74Å; V80-F88 HydrophobicContact CG1-CE1 3.72Å; V80-F88 HydrophobicContact CG2-CD1 4.13Å; S85-F88 WeakPolarHBondContact O-CE2 3.46Å; S85-F88 VanDerWaalsContact O-CZ 3.25Å; S85-F88 WeakPolarHBondContact O-CZ 3.4Å; R86-F88 WeakPolarHBondContact O-CD2 3.18Å; R86-F88 PolarHBondContact O-N 3.05Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 2.83Å; F88-A91 WeakPolarHBondContact O-CB 3.27Å; F88-A91 PolarHBondContact O-N 3.41Å; F88-A91 VanDerWaalsContact O-N 3.09Å; F88-F92 PolarHBondContact O-N 3.03Å |
| 89 | S | 61.5 | Low | 57.9 | Low | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.7 | -44.6 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | D35 N87 F92 Q93 | D35-S89 WeakPolarHBondContact OD2-CB 3.45Å; N87-S89 VanDerWaalsContact C-N 3.29Å; S89-F92 WeakPolarHBondContact O-CB 3.29Å; S89-F92 PolarHBondContact O-N 3.38Å; S89-Q93 WeakPolarHBondContact O-CB 3.48Å; S89-Q93 PolarHBondContact O-N 2.89Å |
| 90 | A | 61.7 | Low | 57.2 | Low | 57 Ų | 57 | 54.8 Ų | 54.8 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N87 F88 F92 Q93 A94 | N87-A90 HydrophobicContact CB-CB 3.84Å; N87-A90 PolarHBondContact O-N 3.42Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 2.83Å; A90-F92 VanDerWaalsContact C-N 3.3Å; A90-F92 PolarHBondContact O-N 3.21Å; A90-Q93 PolarHBondContact O-N 3.08Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.49Å; A90-A94 PolarHBondContact O-N 3.3Å |
| 91 | A | 60.3 | Low | 56.4 | Low | 17 Ų | 17 | 59.5 Ų | 59.5 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V80 N87 F88 C95 | V80-A91 HydrophobicContact CG2-CB 4.43Å; N87-A91 PolarHBondContact O-N 2.69Å; N87-A91 VanDerWaalsContact O-N 3.1Å; F88-A91 WeakPolarHBondContact O-CB 3.27Å; F88-A91 PolarHBondContact O-N 3.41Å; F88-A91 VanDerWaalsContact O-N 3.09Å; A91-C95 PolarHBondContact O-N 3.45Å; A91-C95 VanDerWaalsContact O-N 3.17Å; A91-C95 PolarHBondContact O-SG 3.47Å |
| 92 | F | 57.3 | Low | 55.5 | Low | 38 Ų | 38 | 62.2 Ų | 62.2 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.2 | -48.3 | 173.4 | -178.9 | -115.6 | 0 | 0 | 0 | 113 | F29 Y60 F88 S89 A90 A94 C95 H96 | F29-F92 HydrophobicContact CB-CD1 4.08Å; F29-F92 HydrophobicContact CB-CE1 3.69Å; F29-F92 HydrophobicContact CB-CZ 4.28Å; F29-F92 AromaticContact CD1-CD1 3.97Å; F29-F92 HydrophobicContact CD1-CD1 3.97Å; F29-F92 HydrophobicContact CD1-CE1 4.43Å; F29-F92 HydrophobicContact CD1-CG 4.44Å; F29-F92 HydrophobicContact CE1-CB 4.46Å; F29-F92 AromaticContact CG-CD1 3.92Å; F29-F92 HydrophobicContact CG-CD1 3.92Å; F29-F92 AromaticContact CG-CE1 3.95Å; F29-F92 HydrophobicContact CG-CE1 3.95Å; F29-F92 HydrophobicContact CG-CG 4.45Å; F29-F92 HydrophobicContact CG-CZ 4.48Å; Y60-F92 AromaticContact CD1-CD2 3.41Å; Y60-F92 HydrophobicContact CD1-CD2 3.41Å; Y60-F92 VanDerWaalsContact CD1-CD2 3.41Å; Y60-F92 AromaticContact CD1-CE2 3.67Å; Y60-F92 HydrophobicContact CD1-CE2 3.67Å; Y60-F92 HydrophobicContact CD1-CG 4.2Å; Y60-F92 HydrophobicContact CE1-CB 3.43Å; Y60-F92 VanDerWaalsContact CE1-CB 3.43Å; Y60-F92 HydrophobicContact CE1-CD1 4.27Å; Y60-F92 AromaticContact CE1-CD2 3Å; Y60-F92 HydrophobicContact CE1-CD2 3Å; Y60-F92 AromaticContact CE1-CE2 3.66Å; Y60-F92 HydrophobicContact CE1-CE2 3.66Å; Y60-F92 AromaticContact CE1-CG 3.34Å; Y60-F92 HydrophobicContact CE1-CG 3.34Å; Y60-F92 VanDerWaalsContact OH-CB 3.24Å; Y60-F92 WeakPolarHBondContact OH-CB 3.43Å; F88-F92 PolarHBondContact O-N 3.03Å; S89-F92 WeakPolarHBondContact O-CB 3.29Å; S89-F92 PolarHBondContact O-N 3.38Å; A90-F92 VanDerWaalsContact C-N 3.3Å; A90-F92 PolarHBondContact O-N 3.21Å; F92-A94 PolarHBondContact O-N 2.82Å; F92-C95 CarbonylContact O-C 3.59Å; F92-C95 PolarHBondContact O-N 3.25Å; F92-C95 VanDerWaalsContact O-N 3.08Å; F92-H96 VanDerWaalsContact O-CB 3.27Å; F92-H96 WeakPolarHBondContact O-CB 3.46Å; F92-H96 PolarHBondContact O-N 3.4Å |
| 93 | Q | 57.8 | Low | 54.2 | Low | 108 Ų | 108 | 63.3 Ų | 63.3 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 177.6 | -151 | 98.5 | -16.7 | 0 | 0 | 110.9 | S89 A90 C95 H96 L97 | S89-Q93 WeakPolarHBondContact O-CB 3.48Å; S89-Q93 PolarHBondContact O-N 2.89Å; A90-Q93 PolarHBondContact O-N 3.08Å; Q93-C95 VanDerWaalsContact C-N 3.33Å; Q93-C95 PolarHBondContact O-N 2.79Å; Q93-H96 PolarHBondContact O-N 3.34Å; Q93-L97 HydrophobicContact CG-CD1 3.75Å; Q93-L97 WeakPolarHBondContact O-CB 3.39Å; Q93-L97 PolarHBondContact O-N 3.17Å |
| 94 | A | 56.6 | Low | 53.2 | Low | 35 Ų | 35 | 66.7 Ų | 66.7 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A90 F92 N98 F103 | A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.49Å; A90-A94 PolarHBondContact O-N 3.3Å; F92-A94 PolarHBondContact O-N 2.82Å; A94-N98 PolarHBondContact O-ND2 3.31Å; A94-N98 VanDerWaalsContact O-ND2 3.1Å; A94-F103 HydrophobicContact CB-CE2 4.3Å |
| 95 | C | 51.7 | Low | 52 | Low | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -77 | -35.3 | 173.9 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | I72 A76 A91 F92 Q93 | I72-C95 HydrophobicContact CG2-CB 4.32Å; I72-C95 WeakPolarHBondContact CG2-O 3.47Å; A76-C95 VanDerWaalsContact CA-SG 3.57Å; A76-C95 HydrophobicContact CB-CB 3.75Å; A91-C95 PolarHBondContact O-N 3.45Å; A91-C95 VanDerWaalsContact O-N 3.17Å; A91-C95 PolarHBondContact O-SG 3.47Å; F92-C95 CarbonylContact O-C 3.59Å; F92-C95 PolarHBondContact O-N 3.25Å; F92-C95 VanDerWaalsContact O-N 3.08Å; Q93-C95 VanDerWaalsContact C-N 3.33Å; Q93-C95 PolarHBondContact O-N 2.79Å |
| 96 | H | 50.6 | Low | 51.2 | Low | 111 Ų | 111 | 71.6 Ų | 71.6 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.6 | -31.4 | -178.3 | -171.5 | -86.5 | 0 | 0 | 0 | 113 | F92 Q93 | F92-H96 VanDerWaalsContact O-CB 3.27Å; F92-H96 WeakPolarHBondContact O-CB 3.46Å; F92-H96 PolarHBondContact O-N 3.4Å; Q93-H96 PolarHBondContact O-N 3.34Å |
| 97 | L | 49.2 | Very low | 50.1 | Low | 125 Ų | 125 | 79.2 Ų | 79.2 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.5 | -178.6 | -81.5 | 155.9 | 0 | 0 | 0 | 114.7 | Q93 | Q93-L97 HydrophobicContact CG-CD1 3.75Å; Q93-L97 WeakPolarHBondContact O-CB 3.39Å; Q93-L97 PolarHBondContact O-N 3.17Å |
| 98 | N | 44.8 | Very low | 48.6 | Very low | 79 Ų | 79 | 84.7 Ų | 84.7 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -122.8 | 95.8 | -177.8 | -70.9 | -67.2 | 0 | 0 | 0 | 110.6 | A94 C100 | A94-N98 PolarHBondContact O-ND2 3.31Å; A94-N98 VanDerWaalsContact O-ND2 3.1Å; N98-C100 PolarHBondContact O-N 2.92Å |
| 99 | S | 46.2 | Very low | 47.2 | Very low | 111 Ų | 111 | 92.1 Ų | 92.1 | 78% | 0.776 | 51% | 0.506 | S | S | * | . | trans | -44.2 | 112.1 | 158.4 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | S101 | S99-S101 PolarHBondContact O-N 3.45Š| ||
| 100 | C | 49.1 | Very low | 46 | Very low | 71 Ų | 71 | 98.9 Ų | 98.9 | 48% | 0.48 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -29.9 | 118.8 | -169.9 | -69.9 | 0 | 0 | 0 | 0 | 115.3 | C71 N98 | C71-C100 PolarHBondContact O-SG 3.16Å; N98-C100 PolarHBondContact O-N 2.92Å |
| 101 | S | 44.1 | Very low | 44.7 | Very low | 102 Ų | 102 | 99.4 Ų | 99.4 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 175.3 | -13.1 | 152.4 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | S99 | S99-S101 PolarHBondContact O-N 3.45Š|
| 102 | L | 45.3 | Very low | 43.4 | Very low | 111 Ų | 111 | 102.1 Ų | 102.1 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | trans | -109.6 | -2 | -168.6 | -71.9 | 171.3 | 0 | 0 | 0 | 117.7 | A104 | L102-A104 PolarHBondContact O-N 3.28Å; L102-A104 VanDerWaalsContact O-N 3.1Å | ||
| 103 | F | 36.9 | Very low | 42.5 | Very low | 88 Ų | 88 | 107.5 Ų | 107.5 | 39% | 0.386 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | -7.2 | -178.9 | -135.2 | -91.4 | 0 | 0 | 0 | 114 | A79 A94 W107 | A79-F103 HydrophobicContact CB-CE1 4.43Å; A94-F103 HydrophobicContact CB-CE2 4.3Å; F103-W107 HydrophobicContact CD1-CE3 4.46Å; F103-W107 HydrophobicContact CE1-CD2 4.25Å; F103-W107 AromaticContact CE1-CE3 3.44Å; F103-W107 HydrophobicContact CE1-CE3 3.44Å; F103-W107 VanDerWaalsContact CE1-CE3 3.44Å; F103-W107 AromaticContact CE1-CZ3 3.74Å; F103-W107 HydrophobicContact CE1-CZ3 3.74Å; F103-W107 AromaticContact CZ-CE3 3.62Å; F103-W107 HydrophobicContact CZ-CE3 3.62Å; F103-W107 HydrophobicContact CZ-CH2 4.49Å; F103-W107 AromaticContact CZ-CZ3 3.46Å; F103-W107 HydrophobicContact CZ-CZ3 3.46Å; F103-W107 VanDerWaalsContact CZ-CZ3 3.46Å |
| 104 | A | 39.6 | Very low | 41.5 | Very low | 81 Ų | 81 | 113.5 Ų | 113.5 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -20 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L102 | L102-A104 PolarHBondContact O-N 3.28Å; L102-A104 VanDerWaalsContact O-N 3.1Å |
| 105 | N | 36.8 | Very low | 40.6 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -113.2 | -9.1 | -164.2 | -66.4 | -27.7 | 0 | 0 | 0 | 116.8 | ||
| 106 | T | 42 | Very low | 40.4 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -112.4 | -24.3 | -173.9 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | F108 Q109 | T106-F108 PolarHBondContact O-N 3.15Å; T106-Q109 PolarHBondContact O-N 3.48Å |
| 107 | W | 35.6 | Very low | 39.9 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -16.2 | -177.9 | -145.1 | -78.1 | 0 | 0 | 0 | 113.5 | F103 | F103-W107 HydrophobicContact CD1-CE3 4.46Å; F103-W107 HydrophobicContact CE1-CD2 4.25Å; F103-W107 AromaticContact CE1-CE3 3.44Å; F103-W107 HydrophobicContact CE1-CE3 3.44Å; F103-W107 VanDerWaalsContact CE1-CE3 3.44Å; F103-W107 AromaticContact CE1-CZ3 3.74Å; F103-W107 HydrophobicContact CE1-CZ3 3.74Å; F103-W107 AromaticContact CZ-CE3 3.62Å; F103-W107 HydrophobicContact CZ-CE3 3.62Å; F103-W107 HydrophobicContact CZ-CH2 4.49Å; F103-W107 AromaticContact CZ-CZ3 3.46Å; F103-W107 HydrophobicContact CZ-CZ3 3.46Å; F103-W107 VanDerWaalsContact CZ-CZ3 3.46Å |
| 108 | F | 30.8 | Very low | 39.2 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -5.4 | -179.6 | -142.9 | -95 | 0 | 0 | 0 | 114 | T106 | T106-F108 PolarHBondContact O-N 3.15Š|
| 109 | Q | 33.4 | Very low | 39.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -104.7 | -5.2 | -173 | -75.6 | -76.6 | 32.9 | 0 | 0 | 115.8 | T106 | T106-Q109 PolarHBondContact O-N 3.48Š|
| 110 | L | 36.8 | Very low | 38.7 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -114.7 | 30.9 | -177.6 | -69.6 | 178.3 | 0 | 0 | 0 | 114.9 | ||
| 111 | G | 32.9 | Very low | 38 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -138.1 | 4.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | N113 | G111-N113 VanDerWaalsContact C-N 3.34Å; G111-N113 PolarHBondContact O-N 3.05Å | ||
| 112 | G | 34.6 | Very low | 37.5 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -83.6 | 58.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 113 | N | 37.9 | Very low | 36.8 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | 175.8 | 104.5 | 143.6 | -107.9 | -52.3 | 0 | 0 | 0 | 111.1 | G111 | G111-N113 VanDerWaalsContact C-N 3.34Å; G111-N113 PolarHBondContact O-N 3.05Å | ||
| 114 | R | 37.2 | Very low | 36.3 | Very low | 235 Ų | 235 | 151.4 Ų | 151.4 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | S | Bend | -175.9 | 111 | 124.7 | -101.3 | -176.2 | -78.8 | -156.9 | 2.5 | 109.8 | |||
| 115 | S | 37.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 45.8 | 99.8 | 143.7 | -155.1 | 0 | 0 | 0 | 0 | 117.7 | R117 | S115-R117 PolarHBondContact O-N 3.28Š| ||
| 116 | L | 47.5 | Very low | 35.9 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -15 | 104.2 | 150 | -64 | 163 | 0 | 0 | 0 | 115.4 | ||||
| 117 | R | 40.8 | Very low | 35.3 | Very low | 239 Ų | 239 | 155 Ų | 155 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -176.6 | 86.6 | 140.8 | -107.6 | -179 | -93.5 | -161.9 | -4.8 | 109.8 | S115 | S115-R117 PolarHBondContact O-N 3.28Š| ||
| 118 | D | 34.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -154.7 | 139 | 158.1 | -143.9 | -21 | 0 | 0 | 0 | 113.2 | R120 | D118-R120 PolarHBondContact O-N 2.95Š| ||
| 119 | R | 41.9 | Very low | 35.4 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -74.5 | 33.6 | -170.6 | -69.7 | -178.3 | 177.9 | -164 | -0.4 | 113.5 | ||
| 120 | R | 37.9 | Very low | 35.5 | Very low | 136 Ų | 136 | 145 Ų | 145 | 51% | 0.513 | 77% | 0.77 | S | S | . | * | trans | -107 | 5 | -165.8 | -139.5 | 170.5 | 179.4 | -169.5 | -7.4 | 115.7 | S84 D118 R122 | S84-R120 PolarHBondContact OG-NH1 3.45Å; D118-R120 PolarHBondContact O-N 2.95Å; R120-R122 PolarHBondContact O-N 3.33Å | ||
| 121 | L | 34.1 | Very low | 35.4 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 7.1 | -177 | -64.3 | 178 | 0 | 0 | 0 | 115.6 | W123 | L121-W123 VanDerWaalsContact C-N 3.28Å; L121-W123 PolarHBondContact O-N 3.1Å |
| 122 | R | 34.7 | Very low | 35.8 | Very low | 212 Ų | 212 | 144 Ų | 144 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -19 | 178.4 | -96.4 | -172.8 | -84.9 | -127.9 | 1.4 | 114.6 | R120 | R120-R122 PolarHBondContact O-N 3.33Š|
| 123 | W | 28.6 | Very low | 36 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -90.5 | -22.3 | -176.5 | -160.1 | 53 | 0 | 0 | 0 | 114 | L121 V125 A126 | L121-W123 VanDerWaalsContact C-N 3.28Å; L121-W123 PolarHBondContact O-N 3.1Å; W123-V125 PolarHBondContact O-N 3.1Å; W123-A126 PolarHBondContact O-N 2.96Å |
| 124 | A | 27.9 | Very low | 35.6 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -19.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 125 | V | 34.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -14.1 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | W123 | W123-V125 PolarHBondContact O-N 3.1Š|
| 126 | A | 31.8 | Very low | 35.7 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -6.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | W123 | W123-A126 PolarHBondContact O-N 2.96Š|
| 127 | K | 29.4 | Very low | 35 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 22.1 | -178.4 | -154.1 | 100.6 | -179.5 | 174.6 | 0 | 113.7 | ||
| 128 | A | 28.7 | Very low | 34.9 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -100.2 | 3.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 129 | S | 40.3 | Very low | 35.2 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -120.4 | 83.1 | -177.6 | -146.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 130 | S | 36.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 163.9 | 104 | 158.5 | -89.4 | 0 | 0 | 0 | 0 | 105.7 | ||
| 131 | S | 35 | Very low | 35 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -167.1 | 140.9 | 22.1 | -54.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 132 | S | 41.5 | Very low | 35.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 18.8 | 131.9 | 158.5 | -68.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 133 | L | 38.5 | Very low | 35.4 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | -157 | 122.4 | 64.1 | -74 | 161.6 | 0 | 0 | 0 | 111.2 | |||||
| 134 | A | 29.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 171.8 | 106 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 135 | V | 34.6 | Very low | 36.2 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -103.3 | 129.2 | 153.1 | -172.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 136 | P | 41.4 | Very low | 36.3 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | -134.6 | 138.8 | 104.9 | 10.5 | 12 | 0 | 0 | 0 | 114.5 | |||||
| 137 | V | 33.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | 84.6 | 107.5 | 133.8 | -177.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 138 | L | 38.8 | Very low | 37 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | -70.9 | 167.3 | 163.1 | -72.9 | 165.2 | 0 | 0 | 0 | 112.6 | ||||
| 139 | T | 40.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | trans | 94.5 | 116.7 | 170.5 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 140 | S | 34.3 | Very low | 37.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | cis | -153.7 | 143.9 | 34.9 | -68.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 141 | L | 40.5 | Very low | 37.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -89.4 | 157 | 150.4 | -81.5 | 165.8 | 0 | 0 | 0 | 108.6 | ||||
| 142 | A | 36.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | trans | 77.1 | 116.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 143 | W | 41.4 | Very low | 37.2 | Very low | 327 Ų | 327 | 150.4 Ų | 150.4 | 100% | 1.239 | 86% | 0.86 | S | S | * | * | cis | -148.7 | 0 | 37.3 | -143.4 | -25.2 | 0 | 0 | 0 | 110.5 |
Retrieved 143 of 143 residues in 258.2 ms
(Link to these results)