| 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 | 45.1 | Very low | 51.4 | Low | 238 Ų | 238 | 139.2 Ų | 139.2 | 100% | 1.172 | 78% | 0.781 | S | S | * | * | 0 | 92.4 | 0 | -72.6 | 178.3 | 149.4 | 0 | 0 | 108.2 | |||||
| 2 | C | 45.7 | Very low | 51.5 | Low | 137 Ų | 137 | 133.6 Ų | 133.6 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 128.8 | -177.7 | -67.4 | 0 | 0 | 0 | 0 | 110 | ||
| 3 | K | 48.3 | Very low | 51.4 | Low | 209 Ų | 209 | 131.4 Ų | 131.4 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 144 | -163.4 | -66.3 | 172.6 | 175.4 | 176.1 | 0 | 111.7 | ||
| 4 | G | 46.8 | Very low | 51.1 | Low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 161.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S6 | G4-S6 PolarHBondContact O-N 2.81Å; G4-S6 PolarHBondContact O-OG 2.92Å |
| 5 | L | 55.9 | Low | 51.1 | Low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -54.1 | 61.3 | -179.5 | -61.4 | 164.5 | 0 | 0 | 0 | 114.7 | ||
| 6 | S | 55.3 | Low | 51.2 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -108 | 10.5 | -174.6 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | G4 | G4-S6 PolarHBondContact O-N 2.81Å; G4-S6 PolarHBondContact O-OG 2.92Å | ||
| 7 | Y | 57.5 | Low | 51.2 | Low | 227 Ų | 227 | 135.9 Ų | 135.9 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -133.8 | 55.3 | -178.8 | -97.2 | -90.6 | 0 | 0 | 0 | 113.1 | ||||
| 8 | L | 53 | Low | 51.3 | Low | 111 Ų | 111 | 132.3 Ų | 132.3 | 58% | 0.581 | 74% | 0.74 | S | S | * | * | trans | -113.2 | 125.8 | 167.1 | -78.5 | 167.5 | 0 | 0 | 0 | 110.5 | ||||
| 9 | P | 54.2 | Low | 51.2 | Low | 78 Ų | 78 | 133.6 Ų | 133.6 | 51% | 0.506 | 74% | 0.742 | S | S | . | * | trans | -57.5 | 144.7 | 175.5 | -23.2 | 32.6 | 0 | 0 | 0 | 112.3 | S11 C12 | P9-S11 PolarHBondContact O-N 2.98Å; P9-S11 VanDerWaalsContact O-N 3.08Å; P9-C12 WeakPolarHBondContact O-CB 3.48Å; P9-C12 PolarHBondContact O-N 3.08Å | ||
| 10 | S | 53.8 | Low | 51.1 | Low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -60.4 | -19.9 | -178.3 | 39.7 | 0 | 0 | 0 | 0 | 114.2 | C12 | S10-C12 VanDerWaalsContact C-N 3.29Å; S10-C12 PolarHBondContact O-N 3.49Å |
| 11 | S | 50.3 | Low | 50.9 | Low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -74.7 | -13.5 | 172.3 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | P9 | P9-S11 PolarHBondContact O-N 2.98Å; P9-S11 VanDerWaalsContact O-N 3.08Å |
| 12 | C | 51.8 | Low | 51 | Low | 72 Ų | 72 | 135 Ų | 135 | 49% | 0.486 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -93.7 | -15.3 | 177.1 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | P9 S10 | P9-C12 WeakPolarHBondContact O-CB 3.48Å; P9-C12 PolarHBondContact O-N 3.08Å; S10-C12 VanDerWaalsContact C-N 3.29Å; S10-C12 PolarHBondContact O-N 3.49Å |
| 13 | L | 50.2 | Low | 50.7 | Low | 105 Ų | 105 | 135.7 Ų | 135.7 | 55% | 0.55 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -91 | -23.6 | -179.2 | -128.2 | 102.6 | 0 | 0 | 0 | 113.6 | A16 | L13-A16 PolarHBondContact O-N 3.44Å |
| 14 | E | 48.2 | Very low | 50.3 | Low | 158 Ų | 158 | 127.7 Ų | 127.7 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -74.9 | -21.5 | 179.9 | -75.5 | -111.4 | 123.2 | 0 | 0 | 113.5 | ||
| 15 | K | 49.9 | Very low | 50.3 | Low | 189 Ų | 189 | 131.7 Ų | 131.7 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -88 | -4.6 | 172.4 | -81.8 | -176.5 | 175.8 | -178.9 | 0 | 114.4 | ||
| 16 | A | 53.6 | Low | 49.6 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -97.6 | 13.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L13 | L13-A16 PolarHBondContact O-N 3.44Š|
| 17 | K | 51.3 | Low | 49 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -102.6 | 5.7 | 174.5 | -72 | -175.1 | 177.6 | 174.6 | 0 | 114.5 | ||
| 18 | G | 51.8 | Low | 48.1 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -119.3 | 6.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 19 | M | 50.3 | Low | 47.8 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 78% | 0.778 | 68% | 0.677 | S | S | * | * | trans | -115.2 | 67.2 | -179.4 | -80.9 | 170.4 | 31.5 | 0 | 0 | 111.3 | V21 | M19-V21 PolarHBondContact O-N 2.99Š| ||
| 20 | R | 49.5 | Very low | 47.6 | Very low | 240 Ų | 240 | 129.5 Ų | 129.5 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | trans | -85.3 | 79.4 | 147 | -72.6 | -173.1 | -174.2 | -174.5 | 2.2 | 106.4 | K22 | R20-K22 PolarHBondContact O-N 3.41Š| ||
| 21 | V | 46.4 | Very low | 47.4 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | trans | -57.9 | 115.4 | 163 | -138.3 | 0 | 0 | 0 | 0 | 104.6 | M19 L23 | M19-V21 PolarHBondContact O-N 2.99Å; V21-L23 PolarHBondContact O-N 3.5Å | ||
| 22 | K | 47.6 | Very low | 46.9 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -60 | 93.8 | 177.2 | -77.5 | -179.9 | 176.3 | 178 | 0 | 107.5 | R20 S24 H25 | R20-K22 PolarHBondContact O-N 3.41Å; K22-S24 PolarHBondContact O-N 3.16Å; K22-H25 PolarHBondContact O-N 3.06Å | ||
| 23 | L | 39.9 | Very low | 46.4 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 50.9 | 163.5 | -160.4 | 78 | 0 | 0 | 0 | 108.9 | V21 L26 | V21-L23 PolarHBondContact O-N 3.5Å; L23-L26 HydrophobicContact CD1-CD1 4.43Å |
| 24 | S | 40 | Very low | 45.7 | Very low | 41 Ų | 41 | 144.5 Ų | 144.5 | 29% | 0.287 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.2 | -30.4 | 165.9 | 65.4 | 0 | 0 | 0 | 0 | 109.6 | K22 L26 A27 E28 | K22-S24 PolarHBondContact O-N 3.16Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.47Å; S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 VanDerWaalsContact O-N 3.12Å; S24-E28 WeakPolarHBondContact O-CB 3.42Å; S24-E28 VanDerWaalsContact O-CD 3.24Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.48Å; S24-E28 VanDerWaalsContact O-OE2 3.11Å |
| 25 | H | 44.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -11.4 | -179.4 | -112.8 | 74.5 | 0 | 0 | 0 | 115.7 | K22 E28 | K22-H25 PolarHBondContact O-N 3.06Å; H25-E28 VanDerWaalsContact CA-OE2 3.32Å; H25-E28 WeakPolarHBondContact CA-OE2 3.35Å; H25-E28 IonicContact CE1-OE2 3.78Å; H25-E28 IonicContact CG-OE2 3.37Å; H25-E28 PolarHBondContact N-OE2 3.16Å; H25-E28 IonicContact ND1-OE2 3.16Å; H25-E28 PolarHBondContact ND1-OE2 2.96Å; H25-E28 VanDerWaalsContact ND1-OE2 3.16Å |
| 26 | L | 42.8 | Very low | 45.3 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -13.8 | 171.7 | -81.4 | 159.9 | 0 | 0 | 0 | 113.1 | L23 S24 | L23-L26 HydrophobicContact CD1-CD1 4.43Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.47Å |
| 27 | A | 41.6 | Very low | 45.1 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -12.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | S24 I29 | S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 VanDerWaalsContact O-N 3.12Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 3.32Å |
| 28 | E | 40.1 | Very low | 44.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 56% | 0.556 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 7.7 | -179.7 | -79.2 | 159.2 | 166.6 | 0 | 0 | 114.4 | S24 H25 | S24-E28 WeakPolarHBondContact O-CB 3.42Å; S24-E28 VanDerWaalsContact O-CD 3.24Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.48Å; S24-E28 VanDerWaalsContact O-OE2 3.11Å; H25-E28 VanDerWaalsContact CA-OE2 3.32Å; H25-E28 WeakPolarHBondContact CA-OE2 3.35Å; H25-E28 IonicContact CE1-OE2 3.78Å; H25-E28 IonicContact CG-OE2 3.37Å; H25-E28 PolarHBondContact N-OE2 3.16Å; H25-E28 IonicContact ND1-OE2 3.16Å; H25-E28 PolarHBondContact ND1-OE2 2.96Å; H25-E28 VanDerWaalsContact ND1-OE2 3.16Å |
| 29 | I | 46.6 | Very low | 44.9 | Very low | 135 Ų | 135 | 144 Ų | 144 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -13.9 | 170.5 | -61.9 | 180 | 0 | 0 | 0 | 112.1 | A27 | A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 3.32Å |
| 30 | H | 49.2 | Very low | 45.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -112 | 5.3 | -170.3 | -99.2 | -88.5 | 0 | 0 | 0 | 117.7 | ||
| 31 | H | 49.7 | Very low | 45.9 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -154.9 | 83.4 | 179.1 | -142.6 | 71.7 | 0 | 0 | 0 | 115.5 | ||
| 32 | K | 39.8 | Very low | 47.2 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | trans | 139 | 113 | 138.1 | -83.4 | -179.1 | 170.3 | 177.7 | 0 | 113.4 | ||||
| 33 | Q | 40.4 | Very low | 49.1 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 90% | 0.902 | 64% | 0.636 | S | S | * | * | trans | 151 | 118 | 130.6 | -84.8 | 176.2 | -13.7 | 0 | 0 | 106.7 | ||||
| 34 | K | 36.6 | Very low | 51.7 | Low | 155 Ų | 155 | 118.2 Ų | 118.2 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | cis | -157.9 | 115 | 43.5 | -147.5 | 175.5 | -179.1 | -170.9 | 0 | 108.3 | Q36 | K34-Q36 VanDerWaalsContact C-N 3.27Å; K34-Q36 HydrophobicContact CB-CG 4.3Å; K34-Q36 HydrophobicContact CD-CG 3.8Å; K34-Q36 HydrophobicContact CG-CG 3.86Å; K34-Q36 VanDerWaalsContact NZ-NE2 3.14Å; K34-Q36 PolarHBondContact O-N 3.44Å | ||
| 35 | V | 47.2 | Very low | 54.2 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | trans | -71.1 | 96.6 | 159 | 173.7 | 0 | 0 | 0 | 0 | 104.8 | I40 | V35-I40 HydrophobicContact CB-CD1 4.39Å; V35-I40 HydrophobicContact CG1-CD1 3.91Å | ||
| 36 | Q | 41.8 | Very low | 56.4 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | trans | -89.7 | 125.2 | 164.3 | -75.7 | -172.5 | -44.3 | 0 | 0 | 107.1 | K34 G38 I40 | K34-Q36 VanDerWaalsContact C-N 3.27Å; K34-Q36 HydrophobicContact CB-CG 4.3Å; K34-Q36 HydrophobicContact CD-CG 3.8Å; K34-Q36 HydrophobicContact CG-CG 3.86Å; K34-Q36 VanDerWaalsContact NZ-NE2 3.14Å; K34-Q36 PolarHBondContact O-N 3.44Å; Q36-G38 PolarHBondContact O-N 3.23Å; Q36-G38 VanDerWaalsContact O-N 3.14Å; Q36-I40 WeakPolarHBondContact O-CD1 3.35Å | ||
| 37 | D | 48.8 | Very low | 58.9 | Low | 178 Ų | 178 | 112.2 Ų | 112.2 | 95% | 0.952 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -57.6 | 109.8 | -179.7 | -152.3 | 3 | 0 | 0 | 0 | 109.5 | ||
| 38 | G | 47.3 | Very low | 61.4 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | S | Bend | trans | 163.7 | 75.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q36 I40 | Q36-G38 PolarHBondContact O-N 3.23Å; Q36-G38 VanDerWaalsContact O-N 3.14Å; G38-I40 VanDerWaalsContact C-N 3.27Å; G38-I40 WeakPolarHBondContact O-CA 3.32Å; G38-I40 PolarHBondContact O-N 3.32Å |
| 39 | K | 52.5 | Low | 63.8 | Low | 186 Ų | 186 | 107 Ų | 107 | 81% | 0.809 | 55% | 0.55 | S | S | * | . | trans | 19.8 | 63.6 | 170.7 | -145.7 | 176.9 | -171.2 | -176.5 | 0 | 114.3 | L41 | K39-L41 PolarHBondContact O-N 3.34Š| ||
| 40 | I | 57.7 | Low | 65.9 | Low | 64 Ų | 64 | 101.3 Ų | 101.3 | 33% | 0.328 | 52% | 0.522 | S | S | . | . | trans | -62.1 | 137.2 | -170.5 | -61 | 174.5 | 0 | 0 | 0 | 108.6 | V35 Q36 G38 Q42 | V35-I40 HydrophobicContact CB-CD1 4.39Å; V35-I40 HydrophobicContact CG1-CD1 3.91Å; Q36-I40 WeakPolarHBondContact O-CD1 3.35Å; G38-I40 VanDerWaalsContact C-N 3.27Å; G38-I40 WeakPolarHBondContact O-CA 3.32Å; G38-I40 PolarHBondContact O-N 3.32Å; I40-Q42 HydrophobicContact CB-CG 4.31Å; I40-Q42 HydrophobicContact CG2-CG 4.35Å; I40-Q42 WeakPolarHBondContact O-CG 3.36Å; I40-Q42 PolarHBondContact O-N 2.87Å | ||
| 41 | L | 63.3 | Low | 67.9 | Low | 10 Ų | 10 | 102 Ų | 102 | 5% | 0.052 | 52% | 0.522 | C | S | . | . | trans | -61.2 | 80.7 | 169.3 | -64.2 | 164.3 | 0 | 0 | 0 | 109.1 | K39 L47 F148 | K39-L41 PolarHBondContact O-N 3.34Å; L41-L47 HydrophobicContact CB-CD1 4.44Å; L41-L47 HydrophobicContact CD1-CD1 3.51Å; L41-L47 VanDerWaalsContact CD2-CA 3.48Å; L41-L47 HydrophobicContact CD2-CB 3.9Å; L41-L47 HydrophobicContact CD2-CD1 3.55Å; L41-L47 HydrophobicContact CD2-CG 4.34Å; L41-L47 HydrophobicContact CG-CD1 4Å; L41-F148 HydrophobicContact CD1-CE1 4.42Å | ||
| 42 | Q | 72.9 | Confident | 69.9 | Low | 160 Ų | 160 | 97.5 Ų | 97.5 | 75% | 0.748 | 50% | 0.503 | S | S | * | . | trans | -80.1 | -26 | -174 | -73.5 | -176.9 | 10.6 | 0 | 0 | 112.4 | I40 | I40-Q42 HydrophobicContact CB-CG 4.31Å; I40-Q42 HydrophobicContact CG2-CG 4.35Å; I40-Q42 WeakPolarHBondContact O-CG 3.36Å; I40-Q42 PolarHBondContact O-N 2.87Å | ||
| 43 | D | 88.6 | Confident | 72.4 | Confident | 66 Ų | 66 | 88.9 Ų | 88.9 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -144.6 | 165.5 | 179.2 | 53 | 51.6 | 0 | 0 | 0 | 111.2 | E45 T46 L47 | D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.18Å; D43-E45 PolarHBondContact OD1-N 3.25Å; D43-T46 PolarHBondContact O-N 3.12Å; D43-T46 WeakPolarHBondContact OD1-CB 3.49Å; D43-T46 PolarHBondContact OD1-N 2.98Å; D43-T46 PolarHBondContact OD1-OG1 2.99Å; D43-L47 PolarHBondContact O-N 3.24Å |
| 44 | L | 93.6 | Very high | 75 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -33.3 | -179.1 | 179.3 | 60.1 | 0 | 0 | 0 | 111.3 | L47 L48 F57 Y137 M140 A141 F145 | L44-L47 HydrophobicContact CD1-CD2 3.74Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L44-L47 PolarHBondContact O-N 3.27Å; L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.94Å; L44-L48 HydrophobicContact CG-CD1 3.97Å; L44-L48 HydrophobicContact CG-CG 4.16Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.04Å; L44-L48 PolarHBondContact O-N 3.27Å; L44-F57 HydrophobicContact CD1-CD1 4.22Å; L44-F57 HydrophobicContact CD1-CE1 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.01Å; L44-Y137 HydrophobicContact CB-CE2 4.15Å; L44-Y137 HydrophobicContact CD2-CD2 3.85Å; L44-Y137 HydrophobicContact CD2-CE2 3.58Å; L44-Y137 HydrophobicContact CD2-CG 4.44Å; L44-Y137 HydrophobicContact CG-CD2 4.37Å; L44-Y137 HydrophobicContact CG-CE2 3.68Å; L44-M140 HydrophobicContact CD2-CB 3.91Å; L44-A141 HydrophobicContact CD2-CB 3.86Å; L44-F145 HydrophobicContact CB-CD1 4.13Å; L44-F145 HydrophobicContact CB-CD2 4.28Å; L44-F145 HydrophobicContact CB-CE1 4.36Å; L44-F145 HydrophobicContact CB-CG 4.09Å; L44-F145 HydrophobicContact CD1-CB 4.31Å; L44-F145 HydrophobicContact CD1-CD2 3.92Å; L44-F145 HydrophobicContact CD1-CG 4.2Å |
| 45 | E | 93.4 | Very high | 77.8 | Confident | 144 Ų | 144 | 78 Ų | 78 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 178.3 | -174.6 | 175.8 | -179.7 | 0 | 0 | 111.6 | D43 L47 L48 G49 Y137 | D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.18Å; D43-E45 PolarHBondContact OD1-N 3.25Å; E45-L47 VanDerWaalsContact C-N 3.25Å; E45-L47 PolarHBondContact O-N 3Å; E45-L48 PolarHBondContact O-N 2.96Å; E45-G49 PolarHBondContact O-N 2.97Å; E45-Y137 PolarHBondContact N-OH 3.13Å |
| 46 | T | 91.4 | Very high | 80.1 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 36% | 0.362 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | D43 S50 | D43-T46 PolarHBondContact O-N 3.12Å; D43-T46 WeakPolarHBondContact OD1-CB 3.49Å; D43-T46 PolarHBondContact OD1-N 2.98Å; D43-T46 PolarHBondContact OD1-OG1 2.99Å; T46-S50 PolarHBondContact O-N 2.92Å |
| 47 | L | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 174.5 | -178.5 | 77.5 | 0 | 0 | 0 | 112.6 | L41 D43 L44 E45 G49 S50 L54 F57 F145 F148 | L41-L47 HydrophobicContact CB-CD1 4.44Å; L41-L47 HydrophobicContact CD1-CD1 3.51Å; L41-L47 VanDerWaalsContact CD2-CA 3.48Å; L41-L47 HydrophobicContact CD2-CB 3.9Å; L41-L47 HydrophobicContact CD2-CD1 3.55Å; L41-L47 HydrophobicContact CD2-CG 4.34Å; L41-L47 HydrophobicContact CG-CD1 4Å; D43-L47 PolarHBondContact O-N 3.24Å; L44-L47 HydrophobicContact CD1-CD2 3.74Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L44-L47 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.25Å; E45-L47 PolarHBondContact O-N 3Å; L47-G49 VanDerWaalsContact C-N 3.26Å; L47-G49 PolarHBondContact O-N 3.34Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.11Å; L47-L54 PolarHBondContact O-N 2.96Å; L47-F57 HydrophobicContact CD2-CB 3.61Å; L47-F57 HydrophobicContact CD2-CD1 3.81Å; L47-F57 HydrophobicContact CD2-CD2 3.75Å; L47-F57 HydrophobicContact CD2-CE1 4.4Å; L47-F57 HydrophobicContact CD2-CE2 4.36Å; L47-F57 HydrophobicContact CD2-CG 3.44Å; L47-F57 VanDerWaalsContact CD2-CG 3.44Å; L47-F57 HydrophobicContact CG-CB 4.2Å; L47-F57 HydrophobicContact CG-CG 4.49Å; L47-F145 HydrophobicContact CB-CE2 4.29Å; L47-F145 HydrophobicContact CD2-CD2 3.76Å; L47-F145 HydrophobicContact CD2-CE2 3.76Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CE1 3.51Å; L47-F148 HydrophobicContact CD1-CZ 3.88Å; L47-F148 HydrophobicContact CD2-CD1 4.08Å; L47-F148 HydrophobicContact CD2-CE1 3.93Å; L47-F148 HydrophobicContact CG-CE1 4.4Å |
| 48 | L | 94.2 | Very high | 85.1 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.2 | -30 | -178.4 | -64 | 179.2 | 0 | 0 | 0 | 111.8 | L44 E45 S50 L54 F57 L70 W73 Y137 | L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.94Å; L44-L48 HydrophobicContact CG-CD1 3.97Å; L44-L48 HydrophobicContact CG-CG 4.16Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.04Å; L44-L48 PolarHBondContact O-N 3.27Å; E45-L48 PolarHBondContact O-N 2.96Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.39Å; L48-L54 HydrophobicContact CD2-CD1 3.66Å; L48-F57 HydrophobicContact CD2-CD1 4.13Å; L48-L70 HydrophobicContact CD2-CD1 3.46Å; L48-L70 VanDerWaalsContact CD2-CD1 3.46Å; L48-W73 HydrophobicContact CB-CH2 4.11Å; L48-W73 HydrophobicContact CB-CZ3 4.13Å; L48-W73 HydrophobicContact CD1-CD2 3.98Å; L48-W73 HydrophobicContact CD1-CE3 3.95Å; L48-W73 HydrophobicContact CD1-CH2 3.83Å; L48-W73 HydrophobicContact CD1-CZ2 3.84Å; L48-W73 HydrophobicContact CD1-CZ3 3.87Å; L48-W73 HydrophobicContact CG-CZ3 4.46Å; L48-Y137 HydrophobicContact CD1-CD2 4.09Å; L48-Y137 HydrophobicContact CD1-CE2 3.9Å |
| 49 | G | 91.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 75% | 0.753 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -73.5 | -15.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E45 L47 | E45-G49 PolarHBondContact O-N 2.97Å; L47-G49 VanDerWaalsContact C-N 3.26Å; L47-G49 PolarHBondContact O-N 3.34Å |
| 50 | S | 90.6 | Very high | 89.6 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | trans | -92.7 | 125.8 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | T46 L47 L48 I52 G53 L54 Y161 | T46-S50 PolarHBondContact O-N 2.92Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.11Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.39Å; S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 3.47Å; S50-I52 PolarHBondContact OG-N 2.89Å; S50-G53 PolarHBondContact O-N 3.26Å; S50-G53 PolarHBondContact OG-N 3.15Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 PolarHBondContact O-N 3.3Å; S50-Y161 WeakPolarHBondContact CB-OH 3.47Å; S50-Y161 PolarHBondContact OG-OH 3.43Å | ||
| 51 | K | 90.9 | Very high | 91.5 | Very high | 178 Ų | 178 | 48.1 Ų | 48.1 | 77% | 0.774 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.7 | -42.1 | 174.3 | -172.2 | 177.8 | -179.6 | -178.9 | 0 | 112.4 | Q55 | K51-Q55 WeakPolarHBondContact O-CG 3.37Å; K51-Q55 PolarHBondContact O-N 2.84Å |
| 52 | I | 91.4 | Very high | 93.2 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.9 | -46.8 | 179.9 | -62.5 | 174.6 | 0 | 0 | 0 | 109.8 | S50 L54 Q55 A56 A157 A160 Y161 | S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 3.47Å; S50-I52 PolarHBondContact OG-N 2.89Å; I52-L54 PolarHBondContact O-N 3.45Å; I52-Q55 PolarHBondContact O-N 2.81Å; I52-A56 PolarHBondContact O-N 3.41Å; I52-A157 HydrophobicContact CG2-CB 4.39Å; I52-A160 HydrophobicContact CG2-CB 4.36Å; I52-Y161 HydrophobicContact CB-CE2 4.28Å; I52-Y161 HydrophobicContact CG2-CE2 4.31Å |
| 53 | G | 92.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S50 Q55 A56 F57 | S50-G53 PolarHBondContact O-N 3.26Å; S50-G53 PolarHBondContact OG-N 3.15Å; G53-Q55 PolarHBondContact O-N 2.67Å; G53-A56 PolarHBondContact O-N 3.27Å; G53-F57 WeakPolarHBondContact O-CB 3.49Å; G53-F57 PolarHBondContact O-N 2.74Å |
| 54 | L | 95.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 176 | -177.2 | 68.8 | 0 | 0 | 0 | 112.3 | L47 L48 S50 I52 F57 R58 L70 L74 | L47-L54 PolarHBondContact O-N 2.96Å; L48-L54 HydrophobicContact CD2-CD1 3.66Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 PolarHBondContact O-N 3.3Å; I52-L54 PolarHBondContact O-N 3.45Å; L54-F57 PolarHBondContact O-N 2.87Å; L54-R58 WeakPolarHBondContact O-CB 3.15Å; L54-R58 PolarHBondContact O-N 2.59Å; L54-L70 HydrophobicContact CD1-CD1 3.81Å; L54-L70 HydrophobicContact CD1-CD2 4.04Å; L54-L70 HydrophobicContact CD1-CG 4.38Å; L54-L74 HydrophobicContact CD1-CD1 4.38Å; L54-L74 HydrophobicContact CD1-CD2 4.31Å; L54-L74 HydrophobicContact CD2-CD2 4.32Å |
| 55 | Q | 95.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 58.3 Ų | 58.3 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 178.4 | -70.4 | -45.9 | -63.5 | 0 | 0 | 112.3 | K51 I52 G53 R58 G59 | K51-Q55 WeakPolarHBondContact O-CG 3.37Å; K51-Q55 PolarHBondContact O-N 2.84Å; I52-Q55 PolarHBondContact O-N 2.81Å; G53-Q55 PolarHBondContact O-N 2.67Å; Q55-R58 PolarHBondContact O-N 3.08Å; Q55-G59 PolarHBondContact O-N 3.36Å |
| 56 | A | 95.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I52 G53 G59 F60 F148 A157 | I52-A56 PolarHBondContact O-N 3.41Å; G53-A56 PolarHBondContact O-N 3.27Å; A56-G59 PolarHBondContact O-N 2.76Å; A56-F60 PolarHBondContact O-N 3.43Å; A56-F148 HydrophobicContact CB-CE2 4.08Å; A56-F148 HydrophobicContact CB-CZ 4.15Å; A56-A157 HydrophobicContact CB-CB 3.56Å |
| 57 | F | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.3 | -168.9 | -129.3 | 0 | 0 | 0 | 111.8 | L44 L47 L48 G53 L54 G59 F60 L61 L70 M140 F145 F148 | L44-F57 HydrophobicContact CD1-CD1 4.22Å; L44-F57 HydrophobicContact CD1-CE1 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.01Å; L47-F57 HydrophobicContact CD2-CB 3.61Å; L47-F57 HydrophobicContact CD2-CD1 3.81Å; L47-F57 HydrophobicContact CD2-CD2 3.75Å; L47-F57 HydrophobicContact CD2-CE1 4.4Å; L47-F57 HydrophobicContact CD2-CE2 4.36Å; L47-F57 HydrophobicContact CD2-CG 3.44Å; L47-F57 VanDerWaalsContact CD2-CG 3.44Å; L47-F57 HydrophobicContact CG-CB 4.2Å; L47-F57 HydrophobicContact CG-CG 4.49Å; L48-F57 HydrophobicContact CD2-CD1 4.13Å; G53-F57 WeakPolarHBondContact O-CB 3.49Å; G53-F57 PolarHBondContact O-N 2.74Å; L54-F57 PolarHBondContact O-N 2.87Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.36Å; F57-F60 HydrophobicContact CD2-CD1 4.1Å; F57-F60 HydrophobicContact CE2-CD1 4.04Å; F57-F60 HydrophobicContact CE2-CE1 4.42Å; F57-F60 WeakPolarHBondContact O-CB 3.4Å; F57-F60 PolarHBondContact O-N 3.19Å; F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CD1-CG 4.46Å; F57-L61 HydrophobicContact CD2-CG 4.45Å; F57-L61 HydrophobicContact CE1-CD1 3.67Å; F57-L61 HydrophobicContact CE1-CD2 4.47Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD2 4.15Å; F57-L61 HydrophobicContact CE2-CG 4.22Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 4Å; F57-L61 HydrophobicContact CZ-CD2 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.11Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 2.92Å; F57-L70 HydrophobicContact CD1-CD1 4.49Å; F57-L70 HydrophobicContact CD1-CD2 4.22Å; F57-M140 HydrophobicContact CE1-SD 3.94Å; F57-M140 HydrophobicContact CZ-CB 4.41Å; F57-M140 HydrophobicContact CZ-SD 4.44Å; F57-F145 HydrophobicContact CE2-CB 4.49Å; F57-F145 HydrophobicContact CZ-CB 4.44Å; F57-F148 HydrophobicContact CB-CE2 4.33Å; F57-F148 HydrophobicContact CB-CZ 4.47Å; F57-F148 HydrophobicContact CD2-CB 3.73Å; F57-F148 AromaticContact CD2-CD1 3.98Å; F57-F148 HydrophobicContact CD2-CD1 3.98Å; F57-F148 AromaticContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CE2 4.36Å; F57-F148 AromaticContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CE2-CB 3.73Å; F57-F148 HydrophobicContact CE2-CG 4.06Å |
| 58 | R | 97.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 172.1 | -179.3 | -179.3 | -85 | 159.5 | -10.1 | 111.8 | L54 Q55 F60 L61 R62 L70 E71 L74 | L54-R58 WeakPolarHBondContact O-CB 3.15Å; L54-R58 PolarHBondContact O-N 2.59Å; Q55-R58 PolarHBondContact O-N 3.08Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.41Å; R58-L61 PolarHBondContact O-N 2.92Å; R58-R62 PolarHBondContact O-N 3.43Å; R58-L70 HydrophobicContact CB-CD2 3.72Å; R58-L70 HydrophobicContact CG-CD2 4.35Å; R58-E71 IonicContact CZ-OE1 3.69Å; R58-E71 IonicContact NE-OE1 2.73Å; R58-E71 PolarHBondContact NE-OE1 2.93Å; R58-E71 IonicContact NH2-OE1 3.37Å; R58-E71 PolarHBondContact NH2-OE1 2.97Å; R58-E71 IonicContact NH2-OE2 3.66Å; R58-E71 PolarHBondContact NH2-OE2 3.22Å; R58-E71 VanDerWaalsContact NH2-OE2 3.13Å; R58-L74 VanDerWaalsContact NH2-CD1 3.32Å |
| 59 | G | 97.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q55 A56 F57 R62 S63 | Q55-G59 PolarHBondContact O-N 3.36Å; A56-G59 PolarHBondContact O-N 2.76Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.36Å; G59-R62 PolarHBondContact O-N 3.24Å; G59-S63 PolarHBondContact O-N 3.16Å; G59-S63 VanDerWaalsContact O-N 3.1Å |
| 60 | F | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 174.8 | 169.3 | -98.2 | 0 | 0 | 0 | 112.6 | A56 F57 R58 R62 S63 E64 S144 R147 F148 H153 | A56-F60 PolarHBondContact O-N 3.43Å; F57-F60 HydrophobicContact CD2-CD1 4.1Å; F57-F60 HydrophobicContact CE2-CD1 4.04Å; F57-F60 HydrophobicContact CE2-CE1 4.42Å; F57-F60 WeakPolarHBondContact O-CB 3.4Å; F57-F60 PolarHBondContact O-N 3.19Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.41Å; F60-R62 VanDerWaalsContact C-N 3.28Å; F60-R62 PolarHBondContact O-N 3.01Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 PolarHBondContact O-OG 3.04Å; F60-E64 VanDerWaalsContact CE1-OE2 3.27Å; F60-E64 WeakPolarHBondContact CE1-OE2 3.38Å; F60-E64 VanDerWaalsContact CE2-CD 3.49Å; F60-E64 HydrophobicContact CE2-CG 4.31Å; F60-E64 VanDerWaalsContact CE2-OE1 3.3Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CZ-CG 4.33Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.27Å; F60-E64 WeakPolarHBondContact CZ-OE2 3.31Å; F60-E64 PolarHBondContact O-N 3.45Å; F60-S144 VanDerWaalsContact CE1-O 3.24Å; F60-S144 WeakPolarHBondContact CE1-O 3.12Å; F60-R147 HydrophobicContact CZ-CB 3.71Å; F60-F148 HydrophobicContact CB-CD2 3.66Å; F60-F148 HydrophobicContact CB-CE2 4.32Å; F60-F148 HydrophobicContact CD1-CB 3.64Å; F60-F148 HydrophobicContact CD1-CD2 4.09Å; F60-F148 HydrophobicContact CD1-CG 4.32Å; F60-F148 HydrophobicContact CD2-CB 4.44Å; F60-F148 HydrophobicContact CD2-CD2 4.39Å; F60-F148 HydrophobicContact CE1-CB 3.72Å; F60-F148 HydrophobicContact CG-CB 4.01Å; F60-F148 AromaticContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CG 4.4Å; F60-F148 HydrophobicContact CZ-CB 4.16Å; F60-F148 VanDerWaalsContact CZ-N 3.31Å; F60-H153 HydrophobicContact CB-CB 4.03Å; F60-H153 AromaticContact CD2-ND1 3.83Å |
| 61 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 179.7 | -67.9 | 175.2 | 0 | 0 | 0 | 112.2 | F57 R58 S63 E64 F65 S66 E67 L70 M140 S144 | F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CD1-CG 4.46Å; F57-L61 HydrophobicContact CD2-CG 4.45Å; F57-L61 HydrophobicContact CE1-CD1 3.67Å; F57-L61 HydrophobicContact CE1-CD2 4.47Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD2 4.15Å; F57-L61 HydrophobicContact CE2-CG 4.22Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 4Å; F57-L61 HydrophobicContact CZ-CD2 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.11Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 2.92Å; R58-L61 PolarHBondContact O-N 2.92Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.36Å; L61-E64 CarbonylContact O-C 3.37Å; L61-E64 PolarHBondContact O-N 2.7Å; L61-E64 VanDerWaalsContact O-N 3.14Å; L61-F65 PolarHBondContact O-N 3.39Å; L61-S66 WeakPolarHBondContact CD2-OG 3.24Å; L61-S66 PolarHBondContact O-N 3.2Å; L61-S66 PolarHBondContact O-OG 3.41Å; L61-E67 HydrophobicContact CB-CB 4.16Å; L61-L70 HydrophobicContact CD1-CB 3.48Å; L61-L70 VanDerWaalsContact CD1-CB 3.48Å; L61-L70 HydrophobicContact CD1-CD2 4.01Å; L61-L70 HydrophobicContact CD1-CG 4.33Å; L61-M140 HydrophobicContact CD1-SD 4.16Å; L61-S144 VanDerWaalsContact CD2-CB 3.47Å |
| 62 | R | 97.9 | Very high | 97 | Very high | 137 Ų | 137 | 43.3 Ų | 43.3 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.2 | -42 | 173.4 | -175.5 | 177.1 | -64.5 | 148.7 | 6.8 | 112.2 | R58 G59 F60 E64 F65 E67 | R58-R62 PolarHBondContact O-N 3.43Å; G59-R62 PolarHBondContact O-N 3.24Å; F60-R62 VanDerWaalsContact C-N 3.28Å; F60-R62 PolarHBondContact O-N 3.01Å; R62-E64 PolarHBondContact O-N 3.47Å; R62-E64 VanDerWaalsContact O-N 3.17Å; R62-F65 PolarHBondContact O-N 3.08Å; R62-F65 VanDerWaalsContact O-N 3.16Å; R62-E67 HydrophobicContact CB-CB 4.5Å; R62-E67 WeakPolarHBondContact CB-OE2 3.4Å; R62-E67 IonicContact CZ-OE2 3.57Å; R62-E67 IonicContact NE-OE1 3.1Å; R62-E67 IonicContact NE-OE2 2.74Å; R62-E67 PolarHBondContact NE-OE2 2.7Å; R62-E67 IonicContact NH2-OE2 2.62Å; R62-E67 PolarHBondContact NH2-OE2 3.47Å |
| 63 | S | 97.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -19.4 | 178.2 | 78.7 | 0 | 0 | 0 | 0 | 113.1 | G59 F60 L61 | G59-S63 PolarHBondContact O-N 3.16Å; G59-S63 VanDerWaalsContact O-N 3.1Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 PolarHBondContact O-OG 3.04Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.36Å |
| 64 | E | 97.2 | Very high | 97.6 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 12.8 | 179.6 | -60 | -171.8 | 148.8 | 0 | 0 | 113.1 | F60 L61 R62 S66 R147 | F60-E64 VanDerWaalsContact CE1-OE2 3.27Å; F60-E64 WeakPolarHBondContact CE1-OE2 3.38Å; F60-E64 VanDerWaalsContact CE2-CD 3.49Å; F60-E64 HydrophobicContact CE2-CG 4.31Å; F60-E64 VanDerWaalsContact CE2-OE1 3.3Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CZ-CG 4.33Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.27Å; F60-E64 WeakPolarHBondContact CZ-OE2 3.31Å; F60-E64 PolarHBondContact O-N 3.45Å; L61-E64 CarbonylContact O-C 3.37Å; L61-E64 PolarHBondContact O-N 2.7Å; L61-E64 VanDerWaalsContact O-N 3.14Å; R62-E64 PolarHBondContact O-N 3.47Å; R62-E64 VanDerWaalsContact O-N 3.17Å; E64-S66 VanDerWaalsContact C-N 3.27Å; E64-S66 PolarHBondContact O-N 3.03Å; E64-R147 IonicContact OE1-CZ 2.75Å; E64-R147 IonicContact OE1-NH1 2.7Å; E64-R147 PolarHBondContact OE1-NH1 3.22Å; E64-R147 IonicContact OE2-CZ 3.03Å; E64-R147 IonicContact OE2-NH1 2.75Å; E64-R147 PolarHBondContact OE2-NH1 3.3Å; E64-R147 IonicContact OE2-NH2 3.93Å; E64-R147 PolarHBondContact OE2-NH2 2.75Å |
| 65 | F | 96.6 | Very high | 97.8 | Very high | 185 Ų | 185 | 43.3 Ų | 43.3 | 81% | 0.811 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.4 | 178.3 | -49.7 | -86 | 0 | 0 | 0 | 113.4 | L61 R62 | L61-F65 PolarHBondContact O-N 3.39Å; R62-F65 PolarHBondContact O-N 3.08Å; R62-F65 VanDerWaalsContact O-N 3.16Å |
| 66 | S | 98.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 39 Ų | 39 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -132.2 | 21.3 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | L61 E64 E68 N69 | L61-S66 WeakPolarHBondContact CD2-OG 3.24Å; L61-S66 PolarHBondContact O-N 3.2Å; L61-S66 PolarHBondContact O-OG 3.41Å; E64-S66 VanDerWaalsContact C-N 3.27Å; E64-S66 PolarHBondContact O-N 3.03Å; S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 WeakPolarHBondContact CA-OE2 3.36Å; S66-E68 PolarHBondContact O-N 3.13Å; S66-N69 PolarHBondContact O-N 3.07Å; S66-N69 PolarHBondContact O-ND2 3.43Å | ||
| 67 | E | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.7 | -176.7 | 68.2 | 176.8 | 179.9 | 0 | 0 | 113.6 | L61 R62 N69 L70 E71 | L61-E67 HydrophobicContact CB-CB 4.16Å; R62-E67 HydrophobicContact CB-CB 4.5Å; R62-E67 WeakPolarHBondContact CB-OE2 3.4Å; R62-E67 IonicContact CZ-OE2 3.57Å; R62-E67 IonicContact NE-OE1 3.1Å; R62-E67 IonicContact NE-OE2 2.74Å; R62-E67 PolarHBondContact NE-OE2 2.7Å; R62-E67 IonicContact NH2-OE2 2.62Å; R62-E67 PolarHBondContact NH2-OE2 3.47Å; E67-N69 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 3.41Å; E67-L70 VanDerWaalsContact O-N 3.08Å; E67-E71 PolarHBondContact O-N 2.75Å |
| 68 | E | 98.5 | Very high | 98 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56 | -34.5 | 176.9 | 71.8 | -66 | 156.4 | 0 | 0 | 112.6 | S66 L70 E71 F72 L105 V107 | S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 WeakPolarHBondContact CA-OE2 3.36Å; S66-E68 PolarHBondContact O-N 3.13Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.42Å; E68-E71 PolarHBondContact O-N 2.89Å; E68-F72 VanDerWaalsContact O-CB 3.26Å; E68-F72 WeakPolarHBondContact O-CB 3.09Å; E68-F72 PolarHBondContact O-N 2.99Å; E68-L105 HydrophobicContact CB-CB 3.87Å; E68-L105 HydrophobicContact CB-CD2 4.47Å; E68-V107 HydrophobicContact CB-CG1 4.44Å; E68-V107 HydrophobicContact CG-CG1 4.1Å |
| 69 | N | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.7 | -62.4 | -64.6 | 0 | 0 | 0 | 112 | S66 E67 W73 I136 M140 | S66-N69 PolarHBondContact O-N 3.07Å; S66-N69 PolarHBondContact O-ND2 3.43Å; E67-N69 PolarHBondContact O-N 2.88Å; N69-W73 WeakPolarHBondContact O-CB 3.48Å; N69-W73 PolarHBondContact O-N 3.34Å; N69-W73 VanDerWaalsContact O-N 3.15Å; N69-I136 HydrophobicContact CB-CG2 3.61Å; N69-I136 VanDerWaalsContact O-CG2 3.29Å; N69-I136 WeakPolarHBondContact O-CG2 3.34Å; N69-M140 HydrophobicContact CB-CG 3.71Å; N69-M140 HydrophobicContact CB-SD 3.71Å |
| 70 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.9 | -43 | 178.8 | 178.2 | 61.3 | 0 | 0 | 0 | 111.3 | L48 L54 F57 R58 L61 E67 E68 F72 W73 L74 M140 | L48-L70 HydrophobicContact CD2-CD1 3.46Å; L48-L70 VanDerWaalsContact CD2-CD1 3.46Å; L54-L70 HydrophobicContact CD1-CD1 3.81Å; L54-L70 HydrophobicContact CD1-CD2 4.04Å; L54-L70 HydrophobicContact CD1-CG 4.38Å; F57-L70 HydrophobicContact CD1-CD1 4.49Å; F57-L70 HydrophobicContact CD1-CD2 4.22Å; R58-L70 HydrophobicContact CB-CD2 3.72Å; R58-L70 HydrophobicContact CG-CD2 4.35Å; L61-L70 HydrophobicContact CD1-CB 3.48Å; L61-L70 VanDerWaalsContact CD1-CB 3.48Å; L61-L70 HydrophobicContact CD1-CD2 4.01Å; L61-L70 HydrophobicContact CD1-CG 4.33Å; E67-L70 PolarHBondContact O-N 3.41Å; E67-L70 VanDerWaalsContact O-N 3.08Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.42Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 2.72Å; L70-W73 PolarHBondContact O-N 3.24Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CG 4.17Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.35Å; L70-L74 PolarHBondContact O-N 3.41Å; L70-M140 HydrophobicContact CB-SD 4.12Å |
| 71 | E | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.3 | -64.1 | -50 | 130.6 | 0 | 0 | 111.6 | R58 E67 E68 L74 A75 F98 | R58-E71 IonicContact CZ-OE1 3.69Å; R58-E71 IonicContact NE-OE1 2.73Å; R58-E71 PolarHBondContact NE-OE1 2.93Å; R58-E71 IonicContact NH2-OE1 3.37Å; R58-E71 PolarHBondContact NH2-OE1 2.97Å; R58-E71 IonicContact NH2-OE2 3.66Å; R58-E71 PolarHBondContact NH2-OE2 3.22Å; R58-E71 VanDerWaalsContact NH2-OE2 3.13Å; E67-E71 PolarHBondContact O-N 2.75Å; E68-E71 PolarHBondContact O-N 2.89Å; E71-L74 PolarHBondContact O-N 3.19Å; E71-A75 WeakPolarHBondContact O-CB 3.44Å; E71-A75 PolarHBondContact O-N 3.05Å; E71-F98 HydrophobicContact CB-CE1 3.85Å; E71-F98 HydrophobicContact CB-CZ 3.91Å |
| 72 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172.9 | 171.6 | -108.9 | 0 | 0 | 0 | 111.9 | E68 L70 L74 A75 C76 I94 F98 I99 V107 A132 I136 | E68-F72 VanDerWaalsContact O-CB 3.26Å; E68-F72 WeakPolarHBondContact O-CB 3.09Å; E68-F72 PolarHBondContact O-N 2.99Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 2.72Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.13Å; F72-A75 PolarHBondContact O-N 3Å; F72-C76 WeakPolarHBondContact CE2-SG 3.41Å; F72-C76 WeakPolarHBondContact CZ-SG 3.26Å; F72-C76 PolarHBondContact O-N 3.46Å; F72-C76 PolarHBondContact O-SG 2.99Å; F72-I94 HydrophobicContact CD2-CG2 4.08Å; F72-I94 HydrophobicContact CE2-CG2 3.73Å; F72-F98 HydrophobicContact CB-CB 4.24Å; F72-F98 HydrophobicContact CB-CD1 3.75Å; F72-F98 HydrophobicContact CB-CD2 4.36Å; F72-F98 HydrophobicContact CB-CE1 4.15Å; F72-F98 HydrophobicContact CB-CG 3.87Å; F72-F98 HydrophobicContact CD2-CB 3.6Å; F72-F98 AromaticContact CD2-CD2 3.98Å; F72-F98 HydrophobicContact CD2-CD2 3.98Å; F72-F98 AromaticContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CE2-CB 4.39Å; F72-F98 HydrophobicContact CG-CB 4.22Å; F72-F98 HydrophobicContact CG-CG 4.28Å; F72-I99 HydrophobicContact CD2-CD1 4.34Å; F72-I99 HydrophobicContact CE2-CD1 3.61Å; F72-I99 HydrophobicContact CE2-CG1 4.27Å; F72-I99 HydrophobicContact CZ-CD1 3.91Å; F72-V107 HydrophobicContact CB-CG1 3.62Å; F72-V107 HydrophobicContact CD1-CG1 4.23Å; F72-V107 HydrophobicContact CD1-CG2 4.17Å; F72-V107 HydrophobicContact CD2-CG2 4.43Å; F72-V107 HydrophobicContact CE1-CG2 4.39Å; F72-V107 HydrophobicContact CG-CG1 3.94Å; F72-V107 HydrophobicContact CG-CG2 4.17Å; F72-A132 HydrophobicContact CE1-CB 4.27Å; F72-A132 HydrophobicContact CZ-CB 3.86Å; F72-I136 HydrophobicContact CD1-CB 3.92Å; F72-I136 HydrophobicContact CD1-CG1 3.64Å; F72-I136 HydrophobicContact CD1-CG2 4.05Å; F72-I136 HydrophobicContact CE1-CB 4.14Å; F72-I136 HydrophobicContact CE1-CG1 3.67Å |
| 73 | W | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.6 | -175.7 | 92.6 | 0 | 0 | 0 | 111.8 | L48 N69 L70 C76 E77 Q133 Y137 M140 | L48-W73 HydrophobicContact CB-CH2 4.11Å; L48-W73 HydrophobicContact CB-CZ3 4.13Å; L48-W73 HydrophobicContact CD1-CD2 3.98Å; L48-W73 HydrophobicContact CD1-CE3 3.95Å; L48-W73 HydrophobicContact CD1-CH2 3.83Å; L48-W73 HydrophobicContact CD1-CZ2 3.84Å; L48-W73 HydrophobicContact CD1-CZ3 3.87Å; L48-W73 HydrophobicContact CG-CZ3 4.46Å; N69-W73 WeakPolarHBondContact O-CB 3.48Å; N69-W73 PolarHBondContact O-N 3.34Å; N69-W73 VanDerWaalsContact O-N 3.15Å; L70-W73 PolarHBondContact O-N 3.24Å; W73-C76 WeakPolarHBondContact O-CB 3.46Å; W73-C76 PolarHBondContact O-N 3.06Å; W73-E77 HydrophobicContact CD2-CG 4.28Å; W73-E77 HydrophobicContact CE3-CG 3.91Å; W73-E77 HydrophobicContact CH2-CG 3.53Å; W73-E77 HydrophobicContact CZ2-CG 3.92Å; W73-E77 HydrophobicContact CZ3-CG 3.53Å; W73-E77 PolarHBondContact O-N 2.9Å; W73-E77 VanDerWaalsContact O-N 3.12Å; W73-Q133 VanDerWaalsContact CD1-CG 3.41Å; W73-Q133 HydrophobicContact CG-CG 4.12Å; W73-Q133 PolarHBondContact O-NE2 3.24Å; W73-Q133 VanDerWaalsContact O-NE2 3.12Å; W73-Y137 AromaticContact NE1-CD2 3.59Å; W73-M140 HydrophobicContact CB-CE 3.98Å; W73-M140 HydrophobicContact CG-CE 4.24Å |
| 74 | L | 98.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.6 | -69.9 | 170.8 | 0 | 0 | 0 | 112.4 | L54 R58 L70 E71 F72 C76 E77 D78 | L54-L74 HydrophobicContact CD1-CD1 4.38Å; L54-L74 HydrophobicContact CD1-CD2 4.31Å; L54-L74 HydrophobicContact CD2-CD2 4.32Å; R58-L74 VanDerWaalsContact NH2-CD1 3.32Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CG 4.17Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.35Å; L70-L74 PolarHBondContact O-N 3.41Å; E71-L74 PolarHBondContact O-N 3.19Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.13Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.27Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 3.24Å; L74-D78 PolarHBondContact O-N 3.45Å |
| 75 | A | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E71 F72 Y79 I94 F98 | E71-A75 WeakPolarHBondContact O-CB 3.44Å; E71-A75 PolarHBondContact O-N 3.05Å; F72-A75 PolarHBondContact O-N 3Å; A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.15Å; A75-Y79 PolarHBondContact O-N 3.31Å; A75-I94 HydrophobicContact CB-CD1 4.19Å; A75-I94 HydrophobicContact CB-CG1 3.89Å; A75-F98 HydrophobicContact CB-CE2 4.09Å |
| 76 | C | 98.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 172.9 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | F72 W73 L74 Y79 R80 F129 Q133 | F72-C76 WeakPolarHBondContact CE2-SG 3.41Å; F72-C76 WeakPolarHBondContact CZ-SG 3.26Å; F72-C76 PolarHBondContact O-N 3.46Å; F72-C76 PolarHBondContact O-SG 2.99Å; W73-C76 WeakPolarHBondContact O-CB 3.46Å; W73-C76 PolarHBondContact O-N 3.06Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.27Å; C76-Y79 PolarHBondContact O-N 2.92Å; C76-R80 PolarHBondContact O-N 3.35Å; C76-F129 HydrophobicContact CB-CB 4.36Å; C76-Q133 HydrophobicContact CB-CB 4.02Å; C76-Q133 VanDerWaalsContact CB-CD 3.4Å; C76-Q133 HydrophobicContact CB-CG 3.69Å |
| 77 | E | 97.6 | Very high | 96.5 | Very high | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 175 | -73 | -58.5 | 96.2 | 0 | 0 | 111.6 | W73 L74 R80 V81 Q133 | W73-E77 HydrophobicContact CD2-CG 4.28Å; W73-E77 HydrophobicContact CE3-CG 3.91Å; W73-E77 HydrophobicContact CH2-CG 3.53Å; W73-E77 HydrophobicContact CZ2-CG 3.92Å; W73-E77 HydrophobicContact CZ3-CG 3.53Å; W73-E77 PolarHBondContact O-N 2.9Å; W73-E77 VanDerWaalsContact O-N 3.12Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 3.24Å; E77-R80 WeakPolarHBondContact O-CB 3.19Å; E77-R80 PolarHBondContact O-N 2.8Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NE 3.33Å; E77-R80 IonicContact OE1-NH2 3.36Å; E77-R80 PolarHBondContact OE1-NH2 3.14Å; E77-V81 PolarHBondContact O-N 3.37Å; E77-Q133 PolarHBondContact OE1-NE2 2.91Å |
| 78 | D | 97.4 | Very high | 96.3 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 179 | 175.2 | 51.4 | 0 | 0 | 0 | 111.6 | L74 R80 V81 S82 K90 | L74-D78 PolarHBondContact O-N 3.45Å; D78-R80 PolarHBondContact O-N 3.26Å; D78-V81 WeakPolarHBondContact O-CG2 3.31Å; D78-S82 PolarHBondContact O-N 3.29Å; D78-S82 PolarHBondContact O-OG 3.17Å; D78-K90 IonicContact OD1-NZ 2.67Å; D78-K90 PolarHBondContact OD1-NZ 3.15Å; D78-K90 WeakPolarHBondContact OD2-CE 3.33Å; D78-K90 IonicContact OD2-NZ 3.95Å; D78-K90 PolarHBondContact OD2-NZ 3.24Å |
| 79 | Y | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.5 | 170.2 | -91.3 | 0 | 0 | 0 | 112.4 | A75 C76 V81 S82 Q87 K90 A91 I94 C125 F129 | A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.15Å; A75-Y79 PolarHBondContact O-N 3.31Å; C76-Y79 PolarHBondContact O-N 2.92Å; Y79-V81 VanDerWaalsContact C-N 3.27Å; Y79-V81 PolarHBondContact O-N 3.28Å; Y79-S82 VanDerWaalsContact O-CB 3.3Å; Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.78Å; Y79-Q87 HydrophobicContact CE2-CB 3.86Å; Y79-Q87 HydrophobicContact CE2-CG 4.01Å; Y79-Q87 WeakPolarHBondContact CE2-O 3.5Å; Y79-K90 HydrophobicContact CD2-CB 3.95Å; Y79-A91 HydrophobicContact CD2-CB 4.43Å; Y79-A91 HydrophobicContact CE2-CB 3.82Å; Y79-I94 HydrophobicContact CD2-CD1 4.35Å; Y79-I94 HydrophobicContact CG-CD1 4.17Å; Y79-C125 WeakPolarHBondContact CE1-O 3.32Å; Y79-C125 PolarHBondContact OH-O 2.87Å; Y79-F129 AromaticContact CD1-CD2 3.58Å; Y79-F129 HydrophobicContact CD1-CD2 3.58Å; Y79-F129 AromaticContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CD2 4.4Å; Y79-F129 AromaticContact CD2-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CE2 3.93Å; Y79-F129 AromaticContact CE1-CD2 3.73Å; Y79-F129 HydrophobicContact CE1-CD2 3.73Å; Y79-F129 AromaticContact CE1-CE2 3.91Å; Y79-F129 HydrophobicContact CE1-CE2 3.91Å; Y79-F129 AromaticContact CE2-CE2 3.93Å; Y79-F129 HydrophobicContact CE2-CE2 3.93Å; Y79-F129 AromaticContact CG-CD2 3.93Å; Y79-F129 HydrophobicContact CG-CD2 3.93Å; Y79-F129 AromaticContact CG-CE2 3.94Å; Y79-F129 HydrophobicContact CG-CE2 3.94Å; Y79-F129 AromaticContact CZ-CE2 3.91Å |
| 80 | R | 96.3 | Very high | 96.1 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | -175.8 | -165.5 | -157.8 | -47.4 | -78.5 | -4.3 | 112.5 | C76 E77 D78 N130 | C76-R80 PolarHBondContact O-N 3.35Å; E77-R80 WeakPolarHBondContact O-CB 3.19Å; E77-R80 PolarHBondContact O-N 2.8Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NE 3.33Å; E77-R80 IonicContact OE1-NH2 3.36Å; E77-R80 PolarHBondContact OE1-NH2 3.14Å; D78-R80 PolarHBondContact O-N 3.26Å; R80-N130 PolarHBondContact NH1-OD1 3.32Å |
| 81 | V | 96.1 | Very high | 96 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 70% | 0.697 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -0.3 | -178.5 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | E77 D78 Y79 | E77-V81 PolarHBondContact O-N 3.37Å; D78-V81 WeakPolarHBondContact O-CG2 3.31Å; Y79-V81 VanDerWaalsContact C-N 3.27Å; Y79-V81 PolarHBondContact O-N 3.28Å |
| 82 | S | 95.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -75.3 | 145.8 | -177.2 | -70.9 | 0 | 0 | 0 | 0 | 112.8 | D78 Y79 Q87 K90 | D78-S82 PolarHBondContact O-N 3.29Å; D78-S82 PolarHBondContact O-OG 3.17Å; Y79-S82 VanDerWaalsContact O-CB 3.3Å; Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.78Å; S82-Q87 PolarHBondContact O-NE2 3.06Å; S82-K90 VanDerWaalsContact OG-CD 3.24Å; S82-K90 WeakPolarHBondContact OG-CD 3.06Å; S82-K90 VanDerWaalsContact OG-CE 3.31Å; S82-K90 WeakPolarHBondContact OG-CE 3.31Å; S82-K90 PolarHBondContact OG-NZ 2.85Å |
| 83 | P | 93.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | trans | -65.1 | 150 | 174.6 | 29.4 | -35.3 | 0 | 0 | 0 | 111 | N85 M86 Q87 | P83-N85 WeakPolarHBondContact CB-OD1 3.49Å; P83-N85 WeakPolarHBondContact CG-OD1 3.3Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-N85 VanDerWaalsContact O-N 3.08Å; P83-M86 HydrophobicContact CG-CB 4.28Å; P83-M86 HydrophobicContact CG-CG 3.97Å; P83-M86 HydrophobicContact CG-SD 3.96Å; P83-M86 PolarHBondContact O-N 2.9Å; P83-Q87 PolarHBondContact O-N 2.65Å | ||
| 84 | S | 89.4 | Confident | 95.9 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.3 | -29.6 | -172.9 | -54.1 | 0 | 0 | 0 | 0 | 114.3 | M86 Q87 | S84-M86 PolarHBondContact O-N 3.05Å; S84-Q87 PolarHBondContact O-N 3.47Å |
| 85 | N | 91.9 | Very high | 95.8 | Very high | 131 Ų | 131 | 58.3 Ų | 58.3 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.8 | -19.6 | 176.1 | 69.1 | -39.4 | 0 | 0 | 0 | 113.5 | P83 | P83-N85 WeakPolarHBondContact CB-OD1 3.49Å; P83-N85 WeakPolarHBondContact CG-OD1 3.3Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-N85 VanDerWaalsContact O-N 3.08Å |
| 86 | M | 94.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -99.2 | -19.7 | 176.6 | -65.1 | -171.8 | 76.9 | 0 | 0 | 113.2 | P83 S84 K88 T89 K90 | P83-M86 HydrophobicContact CG-CB 4.28Å; P83-M86 HydrophobicContact CG-CG 3.97Å; P83-M86 HydrophobicContact CG-SD 3.96Å; P83-M86 PolarHBondContact O-N 2.9Å; S84-M86 PolarHBondContact O-N 3.05Å; M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.1Å; M86-T89 PolarHBondContact O-N 2.98Å; M86-K90 PolarHBondContact O-N 2.88Å |
| 87 | Q | 92.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56 | -44.8 | -175.5 | -78.6 | 177.9 | -17.1 | 0 | 0 | 112.1 | Y79 S82 P83 S84 T89 K90 A91 | Y79-Q87 HydrophobicContact CE2-CB 3.86Å; Y79-Q87 HydrophobicContact CE2-CG 4.01Å; Y79-Q87 WeakPolarHBondContact CE2-O 3.5Å; S82-Q87 PolarHBondContact O-NE2 3.06Å; P83-Q87 PolarHBondContact O-N 2.65Å; S84-Q87 PolarHBondContact O-N 3.47Å; Q87-T89 PolarHBondContact O-N 3.35Å; Q87-K90 PolarHBondContact O-N 3.48Å; Q87-A91 VanDerWaalsContact O-CB 3.27Å; Q87-A91 WeakPolarHBondContact O-CB 3.39Å; Q87-A91 PolarHBondContact O-N 3.41Å |
| 88 | K | 94.1 | Very high | 95.8 | Very high | 137 Ų | 137 | 62.3 Ų | 62.3 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.5 | -49.7 | 178.9 | -169.5 | 169.3 | -175.2 | 167.8 | 0 | 112.5 | M86 K90 A91 S92 L124 | M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.1Å; K88-K90 PolarHBondContact O-N 3.34Å; K88-A91 PolarHBondContact O-N 3.43Å; K88-S92 PolarHBondContact O-N 3.48Å; K88-S92 PolarHBondContact O-OG 3.04Å; K88-L124 HydrophobicContact CB-CD1 4.28Å; K88-L124 HydrophobicContact CG-CD1 4.44Å |
| 89 | T | 95.7 | Very high | 95.7 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 179.3 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | M86 Q87 S92 S93 | M86-T89 PolarHBondContact O-N 2.98Å; Q87-T89 PolarHBondContact O-N 3.35Å; T89-S92 PolarHBondContact O-N 3.24Å; T89-S93 PolarHBondContact O-N 3.32Å |
| 90 | K | 97.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -41.9 | 179.3 | -72.3 | -169.1 | -178.6 | -168.7 | 0 | 112.2 | D78 Y79 S82 M86 Q87 K88 S92 S93 I94 | D78-K90 IonicContact OD1-NZ 2.67Å; D78-K90 PolarHBondContact OD1-NZ 3.15Å; D78-K90 WeakPolarHBondContact OD2-CE 3.33Å; D78-K90 IonicContact OD2-NZ 3.95Å; D78-K90 PolarHBondContact OD2-NZ 3.24Å; Y79-K90 HydrophobicContact CD2-CB 3.95Å; S82-K90 VanDerWaalsContact OG-CD 3.24Å; S82-K90 WeakPolarHBondContact OG-CD 3.06Å; S82-K90 VanDerWaalsContact OG-CE 3.31Å; S82-K90 WeakPolarHBondContact OG-CE 3.31Å; S82-K90 PolarHBondContact OG-NZ 2.85Å; M86-K90 PolarHBondContact O-N 2.88Å; Q87-K90 PolarHBondContact O-N 3.48Å; K88-K90 PolarHBondContact O-N 3.34Å; K90-S92 PolarHBondContact O-N 3.41Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.28Å; K90-S93 VanDerWaalsContact O-N 3.16Å; K90-I94 VanDerWaalsContact O-CG1 3.31Å; K90-I94 WeakPolarHBondContact O-CG1 3.36Å; K90-I94 PolarHBondContact O-N 2.98Å |
| 91 | A | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y79 Q87 K88 S93 I94 Y95 M121 L124 F129 | Y79-A91 HydrophobicContact CD2-CB 4.43Å; Y79-A91 HydrophobicContact CE2-CB 3.82Å; Q87-A91 VanDerWaalsContact O-CB 3.27Å; Q87-A91 WeakPolarHBondContact O-CB 3.39Å; Q87-A91 PolarHBondContact O-N 3.41Å; K88-A91 PolarHBondContact O-N 3.43Å; A91-S93 VanDerWaalsContact C-N 3.3Å; A91-S93 PolarHBondContact O-N 3.44Å; A91-I94 PolarHBondContact O-N 3.45Å; A91-Y95 WeakPolarHBondContact O-CB 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; A91-M121 HydrophobicContact CB-SD 4.39Å; A91-L124 HydrophobicContact CB-CD1 3.41Å; A91-L124 VanDerWaalsContact CB-CD1 3.41Å; A91-L124 HydrophobicContact CB-CD2 3.63Å; A91-L124 HydrophobicContact CB-CG 4.17Å; A91-F129 HydrophobicContact CB-CE2 4.01Å; A91-F129 HydrophobicContact CB-CZ 3.89Å |
| 92 | S | 96.2 | Very high | 95 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | K88 T89 K90 N96 | K88-S92 PolarHBondContact O-N 3.48Å; K88-S92 PolarHBondContact O-OG 3.04Å; T89-S92 PolarHBondContact O-N 3.24Å; K90-S92 PolarHBondContact O-N 3.41Å; S92-N96 WeakPolarHBondContact O-CB 3.29Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.98Å; S92-N96 VanDerWaalsContact O-N 3.08Å; S92-N96 PolarHBondContact O-ND2 2.92Å |
| 93 | S | 97.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | T89 K90 A91 Y95 N96 Q97 | T89-S93 PolarHBondContact O-N 3.32Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.28Å; K90-S93 VanDerWaalsContact O-N 3.16Å; A91-S93 VanDerWaalsContact C-N 3.3Å; A91-S93 PolarHBondContact O-N 3.44Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 3.22Å; S93-N96 PolarHBondContact O-N 3.46Å; S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 PolarHBondContact O-N 3.23Å |
| 94 | I | 98.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 178.9 | -70.8 | 166.3 | 0 | 0 | 0 | 110.1 | F72 A75 Y79 K90 A91 N96 Q97 F98 I99 F129 | F72-I94 HydrophobicContact CD2-CG2 4.08Å; F72-I94 HydrophobicContact CE2-CG2 3.73Å; A75-I94 HydrophobicContact CB-CD1 4.19Å; A75-I94 HydrophobicContact CB-CG1 3.89Å; Y79-I94 HydrophobicContact CD2-CD1 4.35Å; Y79-I94 HydrophobicContact CG-CD1 4.17Å; K90-I94 VanDerWaalsContact O-CG1 3.31Å; K90-I94 WeakPolarHBondContact O-CG1 3.36Å; K90-I94 PolarHBondContact O-N 2.98Å; A91-I94 PolarHBondContact O-N 3.45Å; I94-N96 PolarHBondContact O-N 2.88Å; I94-Q97 PolarHBondContact O-N 3.12Å; I94-F98 HydrophobicContact CG2-CD2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.25Å; I94-F98 PolarHBondContact O-N 3.12Å; I94-I99 HydrophobicContact CG2-CG1 4.45Å; I94-F129 HydrophobicContact CB-CE1 4.36Å; I94-F129 HydrophobicContact CB-CE2 4.43Å; I94-F129 HydrophobicContact CB-CZ 4.04Å; I94-F129 HydrophobicContact CD1-CD2 4.15Å; I94-F129 HydrophobicContact CD1-CE2 3.85Å; I94-F129 HydrophobicContact CD1-CZ 4.32Å; I94-F129 HydrophobicContact CG2-CD1 4.04Å; I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.34Å; I94-F129 HydrophobicContact CG2-CZ 3.86Å |
| 95 | Y | 96.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 62 Ų | 62 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -59.7 | -50.5 | -179.4 | -173.2 | -88.7 | 0 | 0 | 0 | 111.8 | A91 S93 Q97 I99 N100 L118 M121 | A91-Y95 WeakPolarHBondContact O-CB 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 3.22Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.78Å; Y95-I99 HydrophobicContact CD2-CB 3.92Å; Y95-I99 HydrophobicContact CD2-CG2 3.85Å; Y95-I99 HydrophobicContact CE2-CB 4.26Å; Y95-I99 HydrophobicContact CE2-CG2 3.79Å; Y95-I99 HydrophobicContact CG-CB 4.38Å; Y95-I99 PolarHBondContact O-N 2.7Å; Y95-N100 HydrophobicContact CD1-CB 4.32Å; Y95-N100 HydrophobicContact CE1-CB 3.95Å; Y95-N100 PolarHBondContact O-N 2.99Å; Y95-L118 HydrophobicContact CE1-CD1 4.44Å; Y95-L118 HydrophobicContact CE2-CB 4.1Å; Y95-L118 HydrophobicContact CE2-CD1 4.22Å; Y95-M121 HydrophobicContact CD2-CG 4.37Å; Y95-M121 HydrophobicContact CD2-SD 4.24Å; Y95-M121 HydrophobicContact CG-SD 4.49Å |
| 96 | N | 96.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -70.9 | -27.4 | -177.4 | -70.1 | -37.8 | 0 | 0 | 0 | 113.6 | S92 S93 I94 A103 P104 | S92-N96 WeakPolarHBondContact O-CB 3.29Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.98Å; S92-N96 VanDerWaalsContact O-N 3.08Å; S92-N96 PolarHBondContact O-ND2 2.92Å; S93-N96 PolarHBondContact O-N 3.46Å; I94-N96 PolarHBondContact O-N 2.88Å; N96-A103 WeakPolarHBondContact O-CB 3.35Å; N96-P104 WeakPolarHBondContact O-CD 3.43Å |
| 97 | Q | 98.1 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -88.7 | -31.1 | -176.7 | -170.7 | 168.1 | 42.9 | 0 | 0 | 113 | S93 I94 Y95 A103 L105 | S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 PolarHBondContact O-N 3.23Å; I94-Q97 PolarHBondContact O-N 3.12Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.78Å; Q97-A103 WeakPolarHBondContact O-CB 3.31Å; Q97-L105 HydrophobicContact CG-CD1 4.11Å; Q97-L105 CarbonylContact O-C 3.27Å; Q97-L105 WeakPolarHBondContact O-CA 3.38Å; Q97-L105 WeakPolarHBondContact O-CB 3.26Å; Q97-L105 PolarHBondContact O-N 3.47Å; Q97-L105 VanDerWaalsContact O-N 3.12Å |
| 98 | F | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -130.6 | -21.9 | -170.4 | -53.9 | -77.4 | 0 | 0 | 0 | 116 | E71 F72 A75 I94 L105 E106 V107 | E71-F98 HydrophobicContact CB-CE1 3.85Å; E71-F98 HydrophobicContact CB-CZ 3.91Å; F72-F98 HydrophobicContact CB-CB 4.24Å; F72-F98 HydrophobicContact CB-CD1 3.75Å; F72-F98 HydrophobicContact CB-CD2 4.36Å; F72-F98 HydrophobicContact CB-CE1 4.15Å; F72-F98 HydrophobicContact CB-CG 3.87Å; F72-F98 HydrophobicContact CD2-CB 3.6Å; F72-F98 AromaticContact CD2-CD2 3.98Å; F72-F98 HydrophobicContact CD2-CD2 3.98Å; F72-F98 AromaticContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CE2-CB 4.39Å; F72-F98 HydrophobicContact CG-CB 4.22Å; F72-F98 HydrophobicContact CG-CG 4.28Å; A75-F98 HydrophobicContact CB-CE2 4.09Å; I94-F98 HydrophobicContact CG2-CD2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.25Å; I94-F98 PolarHBondContact O-N 3.12Å; F98-L105 WeakPolarHBondContact CA-O 3.39Å; F98-L105 HydrophobicContact CD1-CB 3.81Å; F98-L105 WeakPolarHBondContact CD1-O 3.09Å; F98-L105 HydrophobicContact CE1-CB 3.88Å; F98-L105 HydrophobicContact CE1-CD1 3.9Å; F98-L105 HydrophobicContact CZ-CD1 4.45Å; F98-E106 WeakPolarHBondContact O-CA 3.5Å; F98-V107 HydrophobicContact CB-CG1 4.37Å; F98-V107 HydrophobicContact CB-CG2 4.34Å; F98-V107 HydrophobicContact CD1-CG1 4.39Å; F98-V107 WeakPolarHBondContact O-CG2 3Å; F98-V107 PolarHBondContact O-N 2.62Å |
| 99 | I | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -111.2 | -37.4 | -166.6 | -53.5 | -66 | 0 | 0 | 0 | 113.3 | F72 I94 Y95 V107 L109 R114 L117 | F72-I99 HydrophobicContact CD2-CD1 4.34Å; F72-I99 HydrophobicContact CE2-CD1 3.61Å; F72-I99 HydrophobicContact CE2-CG1 4.27Å; F72-I99 HydrophobicContact CZ-CD1 3.91Å; I94-I99 HydrophobicContact CG2-CG1 4.45Å; Y95-I99 HydrophobicContact CD2-CB 3.92Å; Y95-I99 HydrophobicContact CD2-CG2 3.85Å; Y95-I99 HydrophobicContact CE2-CB 4.26Å; Y95-I99 HydrophobicContact CE2-CG2 3.79Å; Y95-I99 HydrophobicContact CG-CB 4.38Å; Y95-I99 PolarHBondContact O-N 2.7Å; I99-V107 HydrophobicContact CD1-CG2 4.04Å; I99-L109 HydrophobicContact CD1-CD1 3.37Å; I99-R114 HydrophobicContact CG2-CB 4.46Å; I99-R114 HydrophobicContact CG2-CG 4.03Å; I99-R114 WeakPolarHBondContact O-CD 3.45Å; I99-L117 HydrophobicContact CD1-CD1 4.03Å; I99-L117 HydrophobicContact CG1-CD1 4.35Å; I99-L117 HydrophobicContact CG2-CD1 3.94Å |
| 100 | N | 93.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -55.8 | 136.8 | 176.5 | -177.2 | 21.8 | 0 | 0 | 0 | 110.1 | Y95 D102 A103 | Y95-N100 HydrophobicContact CD1-CB 4.32Å; Y95-N100 HydrophobicContact CE1-CB 3.95Å; Y95-N100 PolarHBondContact O-N 2.99Å; N100-D102 PolarHBondContact O-N 3.3Å; N100-A103 HydrophobicContact CB-CB 4.18Å; N100-A103 WeakPolarHBondContact O-CB 3.49Å; N100-A103 PolarHBondContact O-N 3.01Å |
| 101 | P | 89.4 | Confident | 96.1 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -10.1 | 177.6 | -31.2 | 37.4 | 0 | 0 | 0 | 117 | ||
| 102 | D | 92.1 | Very high | 96 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 19.2 | 174 | -60.5 | -58.7 | 0 | 0 | 0 | 112 | N100 | N100-D102 PolarHBondContact O-N 3.3Š|
| 103 | A | 96.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | trans | -65.7 | 138.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N96 Q97 N100 L105 E106 | N96-A103 WeakPolarHBondContact O-CB 3.35Å; Q97-A103 WeakPolarHBondContact O-CB 3.31Å; N100-A103 HydrophobicContact CB-CB 4.18Å; N100-A103 WeakPolarHBondContact O-CB 3.49Å; N100-A103 PolarHBondContact O-N 3.01Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.13Å; A103-E106 HydrophobicContact CB-CB 4.12Å; A103-E106 PolarHBondContact O-N 2.64Å | ||
| 104 | P | 97.3 | Very high | 95.7 | Very high | 105 Ų | 105 | 57 Ų | 57 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.1 | -177.3 | 26.8 | -35.6 | 0 | 0 | 0 | 113.2 | N96 | N96-P104 WeakPolarHBondContact O-CD 3.43Š|
| 105 | L | 97.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 63.2 Ų | 63.2 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 42.4 | 177.1 | -59.1 | 176 | 0 | 0 | 0 | 109.8 | E68 Q97 F98 A103 V107 | E68-L105 HydrophobicContact CB-CB 3.87Å; E68-L105 HydrophobicContact CB-CD2 4.47Å; Q97-L105 HydrophobicContact CG-CD1 4.11Å; Q97-L105 CarbonylContact O-C 3.27Å; Q97-L105 WeakPolarHBondContact O-CA 3.38Å; Q97-L105 WeakPolarHBondContact O-CB 3.26Å; Q97-L105 PolarHBondContact O-N 3.47Å; Q97-L105 VanDerWaalsContact O-N 3.12Å; F98-L105 WeakPolarHBondContact CA-O 3.39Å; F98-L105 HydrophobicContact CD1-CB 3.81Å; F98-L105 WeakPolarHBondContact CD1-O 3.09Å; F98-L105 HydrophobicContact CE1-CB 3.88Å; F98-L105 HydrophobicContact CE1-CD1 3.9Å; F98-L105 HydrophobicContact CZ-CD1 4.45Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.13Å; L105-V107 PolarHBondContact O-N 3.23Å |
| 106 | E | 97.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | trans | -51.7 | 125.9 | -179.1 | -169 | -171.1 | 179.6 | 0 | 0 | 111.7 | F98 A103 R114 | F98-E106 WeakPolarHBondContact O-CA 3.5Å; A103-E106 HydrophobicContact CB-CB 4.12Å; A103-E106 PolarHBondContact O-N 2.64Å; E106-R114 IonicContact OE1-NH1 3.76Å; E106-R114 PolarHBondContact OE1-NH1 3.47Å | ||
| 107 | V | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | trans | -90.5 | 149.9 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | E68 F72 F98 I99 L105 L109 I136 | E68-V107 HydrophobicContact CB-CG1 4.44Å; E68-V107 HydrophobicContact CG-CG1 4.1Å; F72-V107 HydrophobicContact CB-CG1 3.62Å; F72-V107 HydrophobicContact CD1-CG1 4.23Å; F72-V107 HydrophobicContact CD1-CG2 4.17Å; F72-V107 HydrophobicContact CD2-CG2 4.43Å; F72-V107 HydrophobicContact CE1-CG2 4.39Å; F72-V107 HydrophobicContact CG-CG1 3.94Å; F72-V107 HydrophobicContact CG-CG2 4.17Å; F98-V107 HydrophobicContact CB-CG1 4.37Å; F98-V107 HydrophobicContact CB-CG2 4.34Å; F98-V107 HydrophobicContact CD1-CG1 4.39Å; F98-V107 WeakPolarHBondContact O-CG2 3Å; F98-V107 PolarHBondContact O-N 2.62Å; I99-V107 HydrophobicContact CD1-CG2 4.04Å; L105-V107 PolarHBondContact O-N 3.23Å; V107-L109 HydrophobicContact CG2-CD1 3.82Å; V107-L109 HydrophobicContact CG2-CG 3.93Å; V107-L109 PolarHBondContact O-N 2.74Å; V107-I136 HydrophobicContact CB-CD1 3.75Å; V107-I136 HydrophobicContact CB-CG1 4.11Å; V107-I136 HydrophobicContact CG2-CD1 4.1Å; V107-I136 HydrophobicContact CG2-CG1 4.13Å | ||
| 108 | N | 96 | Very high | 95 | Very high | 124 Ų | 124 | 61.1 Ų | 61.1 | 66% | 0.663 | 34% | 0.335 | S | S | * | . | trans | -72.6 | 92.7 | -178.5 | -174.3 | 9.6 | 0 | 0 | 0 | 112.2 | L139 | N108-L139 HydrophobicContact CB-CD2 4.32Š| ||
| 109 | L | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -119.1 | 151.9 | 173.3 | -62.9 | 173.5 | 0 | 0 | 0 | 110.7 | I99 V107 T113 R114 A132 M135 I136 | I99-L109 HydrophobicContact CD1-CD1 3.37Å; V107-L109 HydrophobicContact CG2-CD1 3.82Å; V107-L109 HydrophobicContact CG2-CG 3.93Å; V107-L109 PolarHBondContact O-N 2.74Å; L109-T113 HydrophobicContact CD1-CG2 4.48Å; L109-T113 HydrophobicContact CD2-CG2 4.43Å; L109-R114 HydrophobicContact CB-CG 4.2Å; L109-R114 PolarHBondContact O-NH1 3.42Å; L109-A132 HydrophobicContact CD1-CB 3.83Å; L109-A132 HydrophobicContact CD2-CB 4.03Å; L109-M135 HydrophobicContact CD2-CB 4.1Å; L109-M135 HydrophobicContact CD2-CE 3.99Å; L109-M135 HydrophobicContact CD2-SD 4.04Å; L109-I136 HydrophobicContact CD2-CD1 3.91Å; L109-I136 HydrophobicContact CD2-CG1 4.08Å; L109-I136 HydrophobicContact CG-CD1 4.38Å | ||
| 110 | D | 93.7 | Very high | 94.5 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | trans | -72 | 159.9 | 169.6 | 59.2 | 69.2 | 0 | 0 | 0 | 111.8 | E112 T113 R114 M135 | D110-E112 VanDerWaalsContact C-N 3.31Å; D110-E112 PolarHBondContact O-N 3.1Å; D110-E112 PolarHBondContact OD1-N 3.4Å; D110-T113 PolarHBondContact O-N 3.38Å; D110-T113 VanDerWaalsContact OD1-CB 3.31Å; D110-T113 WeakPolarHBondContact OD1-CB 3.27Å; D110-T113 PolarHBondContact OD1-N 3.27Å; D110-T113 PolarHBondContact OD1-OG1 2.73Å; D110-T113 PolarHBondContact OD2-OG1 3.17Å; D110-R114 PolarHBondContact O-N 3.37Å; D110-M135 WeakPolarHBondContact OD2-CE 3.21Å | ||
| 111 | A | 93.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T113 R114 E115 | A111-T113 VanDerWaalsContact C-N 3.34Å; A111-T113 PolarHBondContact O-N 3Å; A111-R114 PolarHBondContact O-N 3.3Å; A111-E115 WeakPolarHBondContact O-CB 3.39Å; A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 3.22Å |
| 112 | E | 94.4 | Very high | 94.2 | Very high | 158 Ų | 158 | 70.7 Ų | 70.7 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 178.8 | -178.3 | 177.5 | -175.8 | 0 | 0 | 111 | D110 E115 A116 | D110-E112 VanDerWaalsContact C-N 3.31Å; D110-E112 PolarHBondContact O-N 3.1Å; D110-E112 PolarHBondContact OD1-N 3.4Å; E112-E115 PolarHBondContact O-N 3.43Å; E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 2.89Å |
| 113 | T | 94.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.6 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | L109 D110 A111 L117 A132 M135 | L109-T113 HydrophobicContact CD1-CG2 4.48Å; L109-T113 HydrophobicContact CD2-CG2 4.43Å; D110-T113 PolarHBondContact O-N 3.38Å; D110-T113 VanDerWaalsContact OD1-CB 3.31Å; D110-T113 WeakPolarHBondContact OD1-CB 3.27Å; D110-T113 PolarHBondContact OD1-N 3.27Å; D110-T113 PolarHBondContact OD1-OG1 2.73Å; D110-T113 PolarHBondContact OD2-OG1 3.17Å; A111-T113 VanDerWaalsContact C-N 3.34Å; A111-T113 PolarHBondContact O-N 3Å; T113-L117 WeakPolarHBondContact O-CG 3.44Å; T113-L117 PolarHBondContact O-N 3.32Å; T113-A132 HydrophobicContact CG2-CB 4.08Å; T113-M135 HydrophobicContact CG2-SD 4.01Å |
| 114 | R | 94.9 | Very high | 94 | Very high | 51 Ų | 51 | 69.3 Ų | 69.3 | 19% | 0.192 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.4 | -74.7 | -167 | -66.8 | -93.1 | -16.6 | 112.2 | I99 E106 L109 D110 A111 L117 L118 | I99-R114 HydrophobicContact CG2-CB 4.46Å; I99-R114 HydrophobicContact CG2-CG 4.03Å; I99-R114 WeakPolarHBondContact O-CD 3.45Å; E106-R114 IonicContact OE1-NH1 3.76Å; E106-R114 PolarHBondContact OE1-NH1 3.47Å; L109-R114 HydrophobicContact CB-CG 4.2Å; L109-R114 PolarHBondContact O-NH1 3.42Å; D110-R114 PolarHBondContact O-N 3.37Å; A111-R114 PolarHBondContact O-N 3.3Å; R114-L117 PolarHBondContact O-N 3Å; R114-L118 PolarHBondContact O-N 2.85Å |
| 115 | E | 93.7 | Very high | 93.8 | Very high | 137 Ų | 137 | 67.4 Ų | 67.4 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 178.8 | -73.3 | 174.5 | -164.3 | 0 | 0 | 111.6 | A111 E112 L117 L118 S119 | A111-E115 WeakPolarHBondContact O-CB 3.39Å; A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 3.22Å; E112-E115 PolarHBondContact O-N 3.43Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 2.83Å; E115-L118 PolarHBondContact O-N 3.42Å; E115-S119 PolarHBondContact O-N 3.17Å |
| 116 | A | 93.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E112 S119 V120 | E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 2.89Å; A116-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-OG 3.41Å; A116-V120 PolarHBondContact O-N 2.69Å |
| 117 | L | 94.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61 | -45 | 175.4 | -77.9 | 173.9 | 0 | 0 | 0 | 112.1 | I99 T113 R114 E115 S119 V120 M121 T128 F129 A132 | I99-L117 HydrophobicContact CD1-CD1 4.03Å; I99-L117 HydrophobicContact CG1-CD1 4.35Å; I99-L117 HydrophobicContact CG2-CD1 3.94Å; T113-L117 WeakPolarHBondContact O-CG 3.44Å; T113-L117 PolarHBondContact O-N 3.32Å; R114-L117 PolarHBondContact O-N 3Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 2.83Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.02Å; L117-V120 VanDerWaalsContact O-CG2 3.28Å; L117-V120 WeakPolarHBondContact O-CG2 3.24Å; L117-V120 PolarHBondContact O-N 3.44Å; L117-M121 WeakPolarHBondContact O-CE 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 2.93Å; L117-T128 HydrophobicContact CD2-CG2 4.18Å; L117-T128 WeakPolarHBondContact CD2-O 3.45Å; L117-F129 HydrophobicContact CD1-CD1 4.34Å; L117-F129 HydrophobicContact CD2-CD1 3.77Å; L117-F129 HydrophobicContact CD2-CE1 4.11Å; L117-A132 HydrophobicContact CD1-CB 3.88Å |
| 118 | L | 92.9 | Very high | 93.3 | Very high | 97 Ų | 97 | 68.2 Ų | 68.2 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 177.8 | 179.4 | 58.6 | 0 | 0 | 0 | 111.8 | Y95 R114 E115 V120 M121 | Y95-L118 HydrophobicContact CE1-CD1 4.44Å; Y95-L118 HydrophobicContact CE2-CB 4.1Å; Y95-L118 HydrophobicContact CE2-CD1 4.22Å; R114-L118 PolarHBondContact O-N 2.85Å; E115-L118 PolarHBondContact O-N 3.42Å; L118-V120 PolarHBondContact O-N 2.84Å; L118-M121 PolarHBondContact O-N 3.01Å |
| 119 | S | 92.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 63% | 0.629 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.3 | -23.6 | -177.8 | 77.6 | 0 | 0 | 0 | 0 | 114.3 | E115 A116 L117 | E115-S119 PolarHBondContact O-N 3.17Å; A116-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-OG 3.41Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.02Å |
| 120 | V | 92.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 3.3 | -177.2 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | A116 L117 L118 D122 S123 T128 | A116-V120 PolarHBondContact O-N 2.69Å; L117-V120 VanDerWaalsContact O-CG2 3.28Å; L117-V120 WeakPolarHBondContact O-CG2 3.24Å; L117-V120 PolarHBondContact O-N 3.44Å; L118-V120 PolarHBondContact O-N 2.84Å; V120-D122 PolarHBondContact O-N 3.34Å; V120-D122 VanDerWaalsContact O-N 3.15Å; V120-S123 CarbonylContact O-C 3.4Å; V120-S123 VanDerWaalsContact O-C 3.27Å; V120-S123 PolarHBondContact O-N 3.11Å; V120-T128 HydrophobicContact CG2-CG2 3.98Å |
| 121 | M | 89.6 | Confident | 93.5 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 15% | 0.148 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.5 | -178.3 | -73.5 | -61 | 101.2 | 0 | 0 | 113.9 | A91 Y95 L117 L118 L124 T128 F129 | A91-M121 HydrophobicContact CB-SD 4.39Å; Y95-M121 HydrophobicContact CD2-CG 4.37Å; Y95-M121 HydrophobicContact CD2-SD 4.24Å; Y95-M121 HydrophobicContact CG-SD 4.49Å; L117-M121 WeakPolarHBondContact O-CE 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 2.93Å; L118-M121 PolarHBondContact O-N 3.01Å; M121-L124 HydrophobicContact CE-CD2 3.75Å; M121-L124 HydrophobicContact SD-CD2 4.16Å; M121-T128 HydrophobicContact CE-CG2 3.69Å; M121-F129 HydrophobicContact CE-CE1 4.12Å; M121-F129 HydrophobicContact CE-CZ 4.07Å |
| 122 | D | 87.9 | Confident | 93.7 | Very high | 157 Ų | 157 | 64.4 Ų | 64.4 | 84% | 0.84 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -13.8 | 174 | -72.5 | -38.9 | 0 | 0 | 0 | 113.7 | V120 | V120-D122 PolarHBondContact O-N 3.34Å; V120-D122 VanDerWaalsContact O-N 3.15Å |
| 123 | S | 90.6 | Very high | 93.9 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -131.9 | 62.8 | -177 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | V120 | V120-S123 CarbonylContact O-C 3.4Å; V120-S123 VanDerWaalsContact O-C 3.27Å; V120-S123 PolarHBondContact O-N 3.11Å |
| 124 | L | 93.1 | Very high | 94 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | trans | -71.7 | 144.1 | -175.2 | -63.8 | 171.6 | 0 | 0 | 0 | 113 | K88 A91 M121 T128 | K88-L124 HydrophobicContact CB-CD1 4.28Å; K88-L124 HydrophobicContact CG-CD1 4.44Å; A91-L124 HydrophobicContact CB-CD1 3.41Å; A91-L124 VanDerWaalsContact CB-CD1 3.41Å; A91-L124 HydrophobicContact CB-CD2 3.63Å; A91-L124 HydrophobicContact CB-CG 4.17Å; M121-L124 HydrophobicContact CE-CD2 3.75Å; M121-L124 HydrophobicContact SD-CD2 4.16Å; L124-T128 HydrophobicContact CD2-CG2 3.87Å | ||
| 125 | C | 92.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 43% | 0.432 | 35% | 0.35 | S | S | . | . | trans | -139.9 | 173.2 | 170.4 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | Y79 D127 T128 | Y79-C125 WeakPolarHBondContact CE1-O 3.32Å; Y79-C125 PolarHBondContact OH-O 2.87Å; C125-D127 PolarHBondContact O-N 2.85Å; C125-D127 VanDerWaalsContact O-N 3.13Å; C125-T128 PolarHBondContact N-OG1 2.79Å; C125-T128 WeakPolarHBondContact O-CB 3.43Å; C125-T128 PolarHBondContact O-N 3.4Å; C125-T128 PolarHBondContact O-OG1 3.21Å | ||
| 126 | A | 92.7 | Very high | 94.4 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 127 | D | 93.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.8 | -175.4 | -65.8 | -38.6 | 0 | 0 | 0 | 114 | C125 F129 N130 | C125-D127 PolarHBondContact O-N 2.85Å; C125-D127 VanDerWaalsContact O-N 3.13Å; D127-F129 PolarHBondContact O-N 3.35Å; D127-N130 VanDerWaalsContact CB-ND2 3.26Å; D127-N130 WeakPolarHBondContact CB-ND2 3.24Å; D127-N130 WeakPolarHBondContact O-CB 3.43Å; D127-N130 PolarHBondContact O-N 3.11Å; D127-N130 PolarHBondContact OD1-ND2 3.01Å |
| 128 | T | 95.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -40.2 | -174.5 | -68.7 | 0 | 0 | 0 | 0 | 113.4 | L117 V120 M121 L124 C125 | L117-T128 HydrophobicContact CD2-CG2 4.18Å; L117-T128 WeakPolarHBondContact CD2-O 3.45Å; V120-T128 HydrophobicContact CG2-CG2 3.98Å; M121-T128 HydrophobicContact CE-CG2 3.69Å; L124-T128 HydrophobicContact CD2-CG2 3.87Å; C125-T128 PolarHBondContact N-OG1 2.79Å; C125-T128 WeakPolarHBondContact O-CB 3.43Å; C125-T128 PolarHBondContact O-N 3.4Å; C125-T128 PolarHBondContact O-OG1 3.21Å |
| 129 | F | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.4 | -176.3 | -59.5 | -72.8 | 0 | 0 | 0 | 114.6 | C76 Y79 A91 I94 L117 M121 D127 L131 A132 Q133 | C76-F129 HydrophobicContact CB-CB 4.36Å; Y79-F129 AromaticContact CD1-CD2 3.58Å; Y79-F129 HydrophobicContact CD1-CD2 3.58Å; Y79-F129 AromaticContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CD2 4.4Å; Y79-F129 AromaticContact CD2-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CE2 3.93Å; Y79-F129 AromaticContact CE1-CD2 3.73Å; Y79-F129 HydrophobicContact CE1-CD2 3.73Å; Y79-F129 AromaticContact CE1-CE2 3.91Å; Y79-F129 HydrophobicContact CE1-CE2 3.91Å; Y79-F129 AromaticContact CE2-CE2 3.93Å; Y79-F129 HydrophobicContact CE2-CE2 3.93Å; Y79-F129 AromaticContact CG-CD2 3.93Å; Y79-F129 HydrophobicContact CG-CD2 3.93Å; Y79-F129 AromaticContact CG-CE2 3.94Å; Y79-F129 HydrophobicContact CG-CE2 3.94Å; Y79-F129 AromaticContact CZ-CE2 3.91Å; A91-F129 HydrophobicContact CB-CE2 4.01Å; A91-F129 HydrophobicContact CB-CZ 3.89Å; I94-F129 HydrophobicContact CB-CE1 4.36Å; I94-F129 HydrophobicContact CB-CE2 4.43Å; I94-F129 HydrophobicContact CB-CZ 4.04Å; I94-F129 HydrophobicContact CD1-CD2 4.15Å; I94-F129 HydrophobicContact CD1-CE2 3.85Å; I94-F129 HydrophobicContact CD1-CZ 4.32Å; I94-F129 HydrophobicContact CG2-CD1 4.04Å; I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.34Å; I94-F129 HydrophobicContact CG2-CZ 3.86Å; L117-F129 HydrophobicContact CD1-CD1 4.34Å; L117-F129 HydrophobicContact CD2-CD1 3.77Å; L117-F129 HydrophobicContact CD2-CE1 4.11Å; M121-F129 HydrophobicContact CE-CE1 4.12Å; M121-F129 HydrophobicContact CE-CZ 4.07Å; D127-F129 PolarHBondContact O-N 3.35Å; F129-L131 PolarHBondContact O-N 3.17Å; F129-A132 PolarHBondContact O-N 3.47Å; F129-Q133 VanDerWaalsContact O-CB 3.25Å; F129-Q133 WeakPolarHBondContact O-CB 3.5Å; F129-Q133 PolarHBondContact O-N 3.41Å |
| 130 | N | 96.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.3 | -47 | -170.8 | -77.9 | -2.2 | 0 | 0 | 0 | 113.3 | R80 D127 Q133 Q134 | R80-N130 PolarHBondContact NH1-OD1 3.32Å; D127-N130 VanDerWaalsContact CB-ND2 3.26Å; D127-N130 WeakPolarHBondContact CB-ND2 3.24Å; D127-N130 WeakPolarHBondContact O-CB 3.43Å; D127-N130 PolarHBondContact O-N 3.11Å; D127-N130 PolarHBondContact OD1-ND2 3.01Å; N130-Q133 PolarHBondContact O-N 2.96Å; N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 VanDerWaalsContact O-CG 3.24Å; N130-Q134 WeakPolarHBondContact O-CG 3.25Å; N130-Q134 PolarHBondContact O-N 3.33Å |
| 131 | L | 96.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 60% | 0.602 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.8 | -53.5 | -178.8 | 177.7 | 60.4 | 0 | 0 | 0 | 111.4 | F129 Q133 Q134 M135 | F129-L131 PolarHBondContact O-N 3.17Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.48Å; L131-Q134 PolarHBondContact O-N 3.31Å; L131-M135 HydrophobicContact CD1-SD 4.49Å; L131-M135 HydrophobicContact CG-SD 4.27Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.46Å |
| 132 | A | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F72 L109 T113 L117 F129 Q134 M135 I136 | F72-A132 HydrophobicContact CE1-CB 4.27Å; F72-A132 HydrophobicContact CZ-CB 3.86Å; L109-A132 HydrophobicContact CD1-CB 3.83Å; L109-A132 HydrophobicContact CD2-CB 4.03Å; T113-A132 HydrophobicContact CG2-CB 4.08Å; L117-A132 HydrophobicContact CD1-CB 3.88Å; F129-A132 PolarHBondContact O-N 3.47Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.34Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 2.79Å; A132-I136 WeakPolarHBondContact O-CG1 3.24Å; A132-I136 PolarHBondContact O-N 3.11Å |
| 133 | Q | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.3 | -170.3 | -169 | 23.5 | 0 | 0 | 112 | W73 C76 E77 F129 N130 L131 I136 Y137 | W73-Q133 VanDerWaalsContact CD1-CG 3.41Å; W73-Q133 HydrophobicContact CG-CG 4.12Å; W73-Q133 PolarHBondContact O-NE2 3.24Å; W73-Q133 VanDerWaalsContact O-NE2 3.12Å; C76-Q133 HydrophobicContact CB-CB 4.02Å; C76-Q133 VanDerWaalsContact CB-CD 3.4Å; C76-Q133 HydrophobicContact CB-CG 3.69Å; E77-Q133 PolarHBondContact OE1-NE2 2.91Å; F129-Q133 VanDerWaalsContact O-CB 3.25Å; F129-Q133 WeakPolarHBondContact O-CB 3.5Å; F129-Q133 PolarHBondContact O-N 3.41Å; N130-Q133 PolarHBondContact O-N 2.96Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.48Å; Q133-I136 PolarHBondContact O-N 3.41Å; Q133-Y137 VanDerWaalsContact O-CB 3.32Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 3.48Å |
| 134 | Q | 97.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 177.4 | -73 | -57.6 | -46.3 | 0 | 0 | 112.8 | N130 L131 A132 S138 | N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 VanDerWaalsContact O-CG 3.24Å; N130-Q134 WeakPolarHBondContact O-CG 3.25Å; N130-Q134 PolarHBondContact O-N 3.33Å; L131-Q134 PolarHBondContact O-N 3.31Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.34Å; Q134-S138 VanDerWaalsContact O-CB 3.29Å; Q134-S138 WeakPolarHBondContact O-CB 3.31Å; Q134-S138 PolarHBondContact O-N 3.19Å; Q134-S138 PolarHBondContact O-OG 2.62Å |
| 135 | M | 97.9 | Very high | 96.7 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 173.4 | -68.6 | 169.6 | 68.9 | 0 | 0 | 111.3 | L109 D110 T113 L131 A132 S138 L139 | L109-M135 HydrophobicContact CD2-CB 4.1Å; L109-M135 HydrophobicContact CD2-CE 3.99Å; L109-M135 HydrophobicContact CD2-SD 4.04Å; D110-M135 WeakPolarHBondContact OD2-CE 3.21Å; T113-M135 HydrophobicContact CG2-SD 4.01Å; L131-M135 HydrophobicContact CD1-SD 4.49Å; L131-M135 HydrophobicContact CG-SD 4.27Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.46Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 2.79Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 3.01Å; M135-L139 PolarHBondContact O-N 3.38Å |
| 136 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 179.5 | -61.6 | -51.2 | 0 | 0 | 0 | 111.9 | N69 F72 V107 L109 A132 Q133 S138 L139 M140 | N69-I136 HydrophobicContact CB-CG2 3.61Å; N69-I136 VanDerWaalsContact O-CG2 3.29Å; N69-I136 WeakPolarHBondContact O-CG2 3.34Å; F72-I136 HydrophobicContact CD1-CB 3.92Å; F72-I136 HydrophobicContact CD1-CG1 3.64Å; F72-I136 HydrophobicContact CD1-CG2 4.05Å; F72-I136 HydrophobicContact CE1-CB 4.14Å; F72-I136 HydrophobicContact CE1-CG1 3.67Å; V107-I136 HydrophobicContact CB-CD1 3.75Å; V107-I136 HydrophobicContact CB-CG1 4.11Å; V107-I136 HydrophobicContact CG2-CD1 4.1Å; V107-I136 HydrophobicContact CG2-CG1 4.13Å; L109-I136 HydrophobicContact CD2-CD1 3.91Å; L109-I136 HydrophobicContact CD2-CG1 4.08Å; L109-I136 HydrophobicContact CG-CD1 4.38Å; A132-I136 WeakPolarHBondContact O-CG1 3.24Å; A132-I136 PolarHBondContact O-N 3.11Å; Q133-I136 PolarHBondContact O-N 3.41Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.08Å; I136-L139 HydrophobicContact CD1-CD2 4.37Å; I136-L139 WeakPolarHBondContact O-CB 3.12Å; I136-L139 PolarHBondContact O-N 2.99Å; I136-M140 HydrophobicContact CG2-CE 4.33Å; I136-M140 PolarHBondContact O-N 2.79Å |
| 137 | Y | 98.2 | Very high | 97 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 170.4 | 179.6 | -92.7 | 0 | 0 | 0 | 111.2 | L44 E45 L48 W73 Q133 L139 M140 A141 | L44-Y137 HydrophobicContact CB-CE2 4.15Å; L44-Y137 HydrophobicContact CD2-CD2 3.85Å; L44-Y137 HydrophobicContact CD2-CE2 3.58Å; L44-Y137 HydrophobicContact CD2-CG 4.44Å; L44-Y137 HydrophobicContact CG-CD2 4.37Å; L44-Y137 HydrophobicContact CG-CE2 3.68Å; E45-Y137 PolarHBondContact N-OH 3.13Å; L48-Y137 HydrophobicContact CD1-CD2 4.09Å; L48-Y137 HydrophobicContact CD1-CE2 3.9Å; W73-Y137 AromaticContact NE1-CD2 3.59Å; Q133-Y137 VanDerWaalsContact O-CB 3.32Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 3.48Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 3.16Å; Y137-M140 PolarHBondContact O-N 3.41Å; Y137-A141 HydrophobicContact CE1-CB 4.4Å; Y137-A141 VanDerWaalsContact O-CB 3.28Å; Y137-A141 WeakPolarHBondContact O-CB 3.29Å; Y137-A141 PolarHBondContact O-N 2.88Å |
| 138 | S | 97.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.9 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | Q134 M135 I136 A141 K142 | Q134-S138 VanDerWaalsContact O-CB 3.29Å; Q134-S138 WeakPolarHBondContact O-CB 3.31Å; Q134-S138 PolarHBondContact O-N 3.19Å; Q134-S138 PolarHBondContact O-OG 2.62Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 3.01Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.08Å; S138-A141 PolarHBondContact O-N 3.08Å; S138-K142 WeakPolarHBondContact O-CB 3.39Å; S138-K142 VanDerWaalsContact O-CG 3.24Å; S138-K142 WeakPolarHBondContact O-CG 3.48Å; S138-K142 PolarHBondContact O-N 3.35Å |
| 139 | L | 97.3 | Very high | 97 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -53.9 | 174 | 176.8 | 64.6 | 0 | 0 | 0 | 110.4 | N108 M135 I136 Y137 A141 K142 D143 | N108-L139 HydrophobicContact CB-CD2 4.32Å; M135-L139 PolarHBondContact O-N 3.38Å; I136-L139 HydrophobicContact CD1-CD2 4.37Å; I136-L139 WeakPolarHBondContact O-CB 3.12Å; I136-L139 PolarHBondContact O-N 2.99Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 3.16Å; L139-A141 VanDerWaalsContact C-N 3.33Å; L139-A141 PolarHBondContact O-N 2.8Å; L139-K142 PolarHBondContact O-N 3.22Å; L139-D143 PolarHBondContact O-N 3.2Å |
| 140 | M | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 177 | -70.2 | -169.9 | -69.8 | 0 | 0 | 111.8 | L44 F57 L61 N69 L70 W73 I136 Y137 K142 S144 F145 | L44-M140 HydrophobicContact CD2-CB 3.91Å; F57-M140 HydrophobicContact CE1-SD 3.94Å; F57-M140 HydrophobicContact CZ-CB 4.41Å; F57-M140 HydrophobicContact CZ-SD 4.44Å; L61-M140 HydrophobicContact CD1-SD 4.16Å; N69-M140 HydrophobicContact CB-CG 3.71Å; N69-M140 HydrophobicContact CB-SD 3.71Å; L70-M140 HydrophobicContact CB-SD 4.12Å; W73-M140 HydrophobicContact CB-CE 3.98Å; W73-M140 HydrophobicContact CG-CE 4.24Å; I136-M140 HydrophobicContact CG2-CE 4.33Å; I136-M140 PolarHBondContact O-N 2.79Å; Y137-M140 PolarHBondContact O-N 3.41Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.42Å; M140-S144 PolarHBondContact O-N 3.24Å; M140-S144 VanDerWaalsContact O-N 3.17Å; M140-F145 VanDerWaalsContact O-CB 3.28Å; M140-F145 WeakPolarHBondContact O-CB 3.42Å; M140-F145 PolarHBondContact O-N 2.99Å |
| 141 | A | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L44 Y137 S138 L139 P146 | L44-A141 HydrophobicContact CD2-CB 3.86Å; Y137-A141 HydrophobicContact CE1-CB 4.4Å; Y137-A141 VanDerWaalsContact O-CB 3.28Å; Y137-A141 WeakPolarHBondContact O-CB 3.29Å; Y137-A141 PolarHBondContact O-N 2.88Å; S138-A141 PolarHBondContact O-N 3.08Å; L139-A141 VanDerWaalsContact C-N 3.33Å; L139-A141 PolarHBondContact O-N 2.8Å; A141-P146 VanDerWaalsContact O-CD 3.3Å; A141-P146 WeakPolarHBondContact O-CD 3.31Å |
| 142 | K | 96.3 | Very high | 96.4 | Very high | 172 Ų | 172 | 53.6 Ų | 53.6 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -86.3 | -30.4 | -177.8 | -71.4 | 173.6 | -176.5 | 174.8 | 0 | 113.3 | S138 L139 M140 | S138-K142 WeakPolarHBondContact O-CB 3.39Å; S138-K142 VanDerWaalsContact O-CG 3.24Å; S138-K142 WeakPolarHBondContact O-CG 3.48Å; S138-K142 PolarHBondContact O-N 3.35Å; L139-K142 PolarHBondContact O-N 3.22Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.42Å |
| 143 | D | 96.5 | Very high | 96.1 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -69.7 | -174.3 | -178.9 | 48.2 | 0 | 0 | 0 | 113.2 | L139 F145 P146 R147 | L139-D143 PolarHBondContact O-N 3.2Å; D143-F145 PolarHBondContact O-N 3.44Å; D143-P146 WeakPolarHBondContact O-CD 3.3Å; D143-R147 PolarHBondContact O-NE 3.33Å; D143-R147 IonicContact OD1-CZ 3.88Å; D143-R147 IonicContact OD1-NE 3.13Å; D143-R147 PolarHBondContact OD1-NE 3.22Å; D143-R147 VanDerWaalsContact OD1-NE 3.1Å; D143-R147 IonicContact OD1-NH2 3.61Å; D143-R147 IonicContact OD2-CZ 3.11Å; D143-R147 IonicContact OD2-NE 3.54Å; D143-R147 IonicContact OD2-NH2 2.64Å; D143-R147 PolarHBondContact OD2-NH2 3.48Å |
| 144 | S | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | -172.1 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | F60 L61 M140 R147 F148 | F60-S144 VanDerWaalsContact CE1-O 3.24Å; F60-S144 WeakPolarHBondContact CE1-O 3.12Å; L61-S144 VanDerWaalsContact CD2-CB 3.47Å; M140-S144 PolarHBondContact O-N 3.24Å; M140-S144 VanDerWaalsContact O-N 3.17Å; S144-R147 PolarHBondContact O-N 3.35Å; S144-F148 WeakPolarHBondContact O-CB 3.33Å; S144-F148 PolarHBondContact O-N 2.76Å |
| 145 | F | 96.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -47.5 | -175.1 | 177.7 | -115.4 | 0 | 0 | 0 | 113.2 | L44 L47 F57 M140 D143 R147 F148 L149 | L44-F145 HydrophobicContact CB-CD1 4.13Å; L44-F145 HydrophobicContact CB-CD2 4.28Å; L44-F145 HydrophobicContact CB-CE1 4.36Å; L44-F145 HydrophobicContact CB-CG 4.09Å; L44-F145 HydrophobicContact CD1-CB 4.31Å; L44-F145 HydrophobicContact CD1-CD2 3.92Å; L44-F145 HydrophobicContact CD1-CG 4.2Å; L47-F145 HydrophobicContact CB-CE2 4.29Å; L47-F145 HydrophobicContact CD2-CD2 3.76Å; L47-F145 HydrophobicContact CD2-CE2 3.76Å; F57-F145 HydrophobicContact CE2-CB 4.49Å; F57-F145 HydrophobicContact CZ-CB 4.44Å; M140-F145 VanDerWaalsContact O-CB 3.28Å; M140-F145 WeakPolarHBondContact O-CB 3.42Å; M140-F145 PolarHBondContact O-N 2.99Å; D143-F145 PolarHBondContact O-N 3.44Å; F145-R147 PolarHBondContact O-N 3.33Å; F145-F148 HydrophobicContact CD2-CD1 4.15Å; F145-F148 HydrophobicContact CE2-CD1 4.27Å; F145-F148 WeakPolarHBondContact O-CB 3.34Å; F145-F148 PolarHBondContact O-N 3.24Å; F145-F148 VanDerWaalsContact O-N 3.16Å; F145-L149 HydrophobicContact CD1-CD1 4.36Å; F145-L149 HydrophobicContact CD2-CG 4.41Å; F145-L149 HydrophobicContact CE1-CD1 3.85Å; F145-L149 HydrophobicContact CE1-CG 4.39Å; F145-L149 HydrophobicContact CE2-CD1 4.34Å; F145-L149 HydrophobicContact CE2-CD2 3.84Å; F145-L149 HydrophobicContact CE2-CG 4.02Å; F145-L149 HydrophobicContact CZ-CD1 3.84Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.28Å; F145-L149 PolarHBondContact O-N 3.46Å |
| 146 | P | 95.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -28.9 | 172.7 | -26.5 | 34.4 | 0 | 0 | 0 | 114.3 | A141 D143 R150 | A141-P146 VanDerWaalsContact O-CD 3.3Å; A141-P146 WeakPolarHBondContact O-CD 3.31Å; D143-P146 WeakPolarHBondContact O-CD 3.3Å; P146-R150 PolarHBondContact O-NE 2.68Å |
| 147 | R | 96.3 | Very high | 93 | Very high | 73 Ų | 73 | 56 Ų | 56 | 28% | 0.275 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -77.5 | -41.3 | 175.1 | -66.5 | -174.1 | -67.3 | 107 | 3.1 | 110.9 | F60 E64 D143 S144 F145 L149 R150 S151 | F60-R147 HydrophobicContact CZ-CB 3.71Å; E64-R147 IonicContact OE1-CZ 2.75Å; E64-R147 IonicContact OE1-NH1 2.7Å; E64-R147 PolarHBondContact OE1-NH1 3.22Å; E64-R147 IonicContact OE2-CZ 3.03Å; E64-R147 IonicContact OE2-NH1 2.75Å; E64-R147 PolarHBondContact OE2-NH1 3.3Å; E64-R147 IonicContact OE2-NH2 3.93Å; E64-R147 PolarHBondContact OE2-NH2 2.75Å; D143-R147 PolarHBondContact O-NE 3.33Å; D143-R147 IonicContact OD1-CZ 3.88Å; D143-R147 IonicContact OD1-NE 3.13Å; D143-R147 PolarHBondContact OD1-NE 3.22Å; D143-R147 VanDerWaalsContact OD1-NE 3.1Å; D143-R147 IonicContact OD1-NH2 3.61Å; D143-R147 IonicContact OD2-CZ 3.11Å; D143-R147 IonicContact OD2-NE 3.54Å; D143-R147 IonicContact OD2-NH2 2.64Å; D143-R147 PolarHBondContact OD2-NH2 3.48Å; S144-R147 PolarHBondContact O-N 3.35Å; F145-R147 PolarHBondContact O-N 3.33Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 2.99Å; R147-R150 PolarHBondContact O-N 2.78Å; R147-R150 VanDerWaalsContact O-N 3.08Å; R147-S151 PolarHBondContact O-N 2.83Å |
| 148 | F | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.4 | -47.5 | 172 | 167.8 | -104.9 | 0 | 0 | 0 | 112 | L41 L47 A56 F57 F60 S144 F145 R150 S151 H153 C154 | L41-F148 HydrophobicContact CD1-CE1 4.42Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CE1 3.51Å; L47-F148 HydrophobicContact CD1-CZ 3.88Å; L47-F148 HydrophobicContact CD2-CD1 4.08Å; L47-F148 HydrophobicContact CD2-CE1 3.93Å; L47-F148 HydrophobicContact CG-CE1 4.4Å; A56-F148 HydrophobicContact CB-CE2 4.08Å; A56-F148 HydrophobicContact CB-CZ 4.15Å; F57-F148 HydrophobicContact CB-CE2 4.33Å; F57-F148 HydrophobicContact CB-CZ 4.47Å; F57-F148 HydrophobicContact CD2-CB 3.73Å; F57-F148 AromaticContact CD2-CD1 3.98Å; F57-F148 HydrophobicContact CD2-CD1 3.98Å; F57-F148 AromaticContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CE2 4.36Å; F57-F148 AromaticContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CE2-CB 3.73Å; F57-F148 HydrophobicContact CE2-CG 4.06Å; F60-F148 HydrophobicContact CB-CD2 3.66Å; F60-F148 HydrophobicContact CB-CE2 4.32Å; F60-F148 HydrophobicContact CD1-CB 3.64Å; F60-F148 HydrophobicContact CD1-CD2 4.09Å; F60-F148 HydrophobicContact CD1-CG 4.32Å; F60-F148 HydrophobicContact CD2-CB 4.44Å; F60-F148 HydrophobicContact CD2-CD2 4.39Å; F60-F148 HydrophobicContact CE1-CB 3.72Å; F60-F148 HydrophobicContact CG-CB 4.01Å; F60-F148 AromaticContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CG 4.4Å; F60-F148 HydrophobicContact CZ-CB 4.16Å; F60-F148 VanDerWaalsContact CZ-N 3.31Å; S144-F148 WeakPolarHBondContact O-CB 3.33Å; S144-F148 PolarHBondContact O-N 2.76Å; F145-F148 HydrophobicContact CD2-CD1 4.15Å; F145-F148 HydrophobicContact CE2-CD1 4.27Å; F145-F148 WeakPolarHBondContact O-CB 3.34Å; F145-F148 PolarHBondContact O-N 3.24Å; F145-F148 VanDerWaalsContact O-N 3.16Å; F148-R150 PolarHBondContact O-N 3.48Å; F148-R150 VanDerWaalsContact O-N 3.08Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3.36Å; F148-S151 PolarHBondContact O-N 3.03Å; F148-S151 PolarHBondContact O-OG 3.14Å; F148-H153 HydrophobicContact CD2-CB 4.29Å; F148-H153 HydrophobicContact CE2-CB 3.97Å; F148-C154 HydrophobicContact CD1-CB 4.16Å; F148-C154 HydrophobicContact CD2-CB 4.26Å; F148-C154 HydrophobicContact CE1-CB 3.77Å; F148-C154 HydrophobicContact CE2-CB 3.91Å; F148-C154 HydrophobicContact CG-CB 4.4Å; F148-C154 HydrophobicContact CZ-CB 3.65Å; F148-C154 WeakPolarHBondContact O-CB 3.16Å |
| 149 | L | 93.3 | Very high | 90.8 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.6 | -179.9 | -69.2 | 178.7 | 0 | 0 | 0 | 113.5 | F145 R147 | F145-L149 HydrophobicContact CD1-CD1 4.36Å; F145-L149 HydrophobicContact CD2-CG 4.41Å; F145-L149 HydrophobicContact CE1-CD1 3.85Å; F145-L149 HydrophobicContact CE1-CG 4.39Å; F145-L149 HydrophobicContact CE2-CD1 4.34Å; F145-L149 HydrophobicContact CE2-CD2 3.84Å; F145-L149 HydrophobicContact CE2-CG 4.02Å; F145-L149 HydrophobicContact CZ-CD1 3.84Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.28Å; F145-L149 PolarHBondContact O-N 3.46Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 2.99Å |
| 150 | R | 92.8 | Very high | 89.1 | Confident | 189 Ų | 189 | 64.1 Ų | 64.1 | 71% | 0.713 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -3.8 | 177 | -66.1 | 178 | -72.9 | -177.4 | 1.9 | 113.3 | P146 R147 F148 | P146-R150 PolarHBondContact O-NE 2.68Å; R147-R150 PolarHBondContact O-N 2.78Å; R147-R150 VanDerWaalsContact O-N 3.08Å; F148-R150 PolarHBondContact O-N 3.48Å; F148-R150 VanDerWaalsContact O-N 3.08Å |
| 151 | S | 93.8 | Very high | 87.1 | Confident | 21 Ų | 21 | 72 Ų | 72 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -87.5 | 160.9 | -176.1 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | R147 F148 H153 C154 A155 | R147-S151 PolarHBondContact O-N 2.83Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3.36Å; F148-S151 PolarHBondContact O-N 3.03Å; F148-S151 PolarHBondContact O-OG 3.14Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.35Å; S151-H153 PolarHBondContact OG-N 3.12Å; S151-C154 PolarHBondContact O-N 3.04Å; S151-A155 PolarHBondContact O-N 3.16Å |
| 152 | H | 91.8 | Very high | 86.6 | Confident | 115 Ų | 115 | 74.1 Ų | 74.1 | 53% | 0.532 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 173.1 | 64.6 | -79 | 0 | 0 | 0 | 112.5 | C154 A155 E156 | H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.22Å; H152-A155 WeakPolarHBondContact O-CB 3.47Å; H152-A155 PolarHBondContact O-N 3.41Å; H152-A155 VanDerWaalsContact O-N 3.11Å; H152-E156 IonicContact CD2-OE1 3.7Å; H152-E156 WeakPolarHBondContact O-CG 3.45Å; H152-E156 PolarHBondContact O-N 3.44Å |
| 153 | H | 90.9 | Very high | 86.1 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.4 | -42.7 | 175.9 | -61.7 | 95.8 | 0 | 0 | 0 | 112.3 | F60 F148 S151 A157 | F60-H153 HydrophobicContact CB-CB 4.03Å; F60-H153 AromaticContact CD2-ND1 3.83Å; F148-H153 HydrophobicContact CD2-CB 4.29Å; F148-H153 HydrophobicContact CE2-CB 3.97Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.35Å; S151-H153 PolarHBondContact OG-N 3.12Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.83Å |
| 154 | C | 87.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | F148 S151 H152 E156 A157 I158 | F148-C154 HydrophobicContact CD1-CB 4.16Å; F148-C154 HydrophobicContact CD2-CB 4.26Å; F148-C154 HydrophobicContact CE1-CB 3.77Å; F148-C154 HydrophobicContact CE2-CB 3.91Å; F148-C154 HydrophobicContact CG-CB 4.4Å; F148-C154 HydrophobicContact CZ-CB 3.65Å; F148-C154 WeakPolarHBondContact O-CB 3.16Å; S151-C154 PolarHBondContact O-N 3.04Å; H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.22Å; C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 2.75Å; C154-A157 WeakPolarHBondContact O-CB 3.32Å; C154-A157 PolarHBondContact O-N 2.9Å; C154-I158 WeakPolarHBondContact O-CG1 3.41Å; C154-I158 PolarHBondContact O-N 3.46Å |
| 155 | A | 82.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S151 H152 K159 | S151-A155 PolarHBondContact O-N 3.16Å; H152-A155 WeakPolarHBondContact O-CB 3.47Å; H152-A155 PolarHBondContact O-N 3.41Å; H152-A155 VanDerWaalsContact O-N 3.11Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.42Å; A155-K159 PolarHBondContact O-N 3.35Å |
| 156 | E | 78.1 | Confident | 84.1 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.6 | -42.9 | 173.7 | -73.1 | 175.3 | -174.8 | 0 | 0 | 112 | H152 C154 I158 K159 A160 | H152-E156 IonicContact CD2-OE1 3.7Å; H152-E156 WeakPolarHBondContact O-CG 3.45Å; H152-E156 PolarHBondContact O-N 3.44Å; C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 2.75Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 3.04Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-A160 PolarHBondContact O-N 3.01Å |
| 157 | A | 79.8 | Confident | 83.3 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I52 A56 H153 C154 K159 A160 Y161 | I52-A157 HydrophobicContact CG2-CB 4.39Å; A56-A157 HydrophobicContact CB-CB 3.56Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.83Å; C154-A157 WeakPolarHBondContact O-CB 3.32Å; C154-A157 PolarHBondContact O-N 2.9Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.08Å; A157-A160 PolarHBondContact O-N 3.35Å; A157-Y161 WeakPolarHBondContact O-CD2 3.19Å |
| 158 | I | 77.7 | Confident | 82.3 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 45% | 0.451 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 178.1 | -67.4 | 167.8 | 0 | 0 | 0 | 111.9 | C154 E156 A160 | C154-I158 WeakPolarHBondContact O-CG1 3.41Å; C154-I158 PolarHBondContact O-N 3.46Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 3.04Å; I158-A160 VanDerWaalsContact C-N 3.29Å |
| 159 | K | 71.4 | Confident | 81.3 | Confident | 168 Ų | 168 | 83.9 Ų | 83.9 | 73% | 0.73 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.2 | -20 | 176.7 | -71.4 | 170.5 | -173.4 | 175.4 | 0 | 113.4 | A155 E156 A157 Y161 | A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.42Å; A155-K159 PolarHBondContact O-N 3.35Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 VanDerWaalsContact O-N 3.11Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.08Å; K159-Y161 VanDerWaalsContact C-N 3.32Å |
| 160 | A | 61.3 | Low | 80.3 | Confident | 67 Ų | 67 | 84.8 Ų | 84.8 | 55% | 0.554 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I52 E156 A157 I158 | I52-A160 HydrophobicContact CG2-CB 4.36Å; E156-A160 PolarHBondContact O-N 3.01Å; A157-A160 PolarHBondContact O-N 3.35Å; I158-A160 VanDerWaalsContact C-N 3.29Å |
| 161 | Y | 55.7 | Low | 79.1 | Confident | 165 Ų | 165 | 75.4 Ų | 75.4 | 65% | 0.647 | 38% | 0.383 | S | S | * | . | trans | -87.2 | 0 | 167.8 | -88.8 | -83 | 0 | 0 | 0 | 111.2 | S50 I52 A157 K159 | S50-Y161 WeakPolarHBondContact CB-OH 3.47Å; S50-Y161 PolarHBondContact OG-OH 3.43Å; I52-Y161 HydrophobicContact CB-CE2 4.28Å; I52-Y161 HydrophobicContact CG2-CE2 4.31Å; A157-Y161 WeakPolarHBondContact O-CD2 3.19Å; K159-Y161 VanDerWaalsContact C-N 3.32Å |
Retrieved 161 of 161 residues in 45.8 ms
(Link to these results)