| 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 | 40 | Very low | 43.8 | Very low | 247 Ų | 247 | 137.2 Ų | 137.2 | 100% | 1.217 | 84% | 0.837 | S | S | * | * | 0 | 108.9 | 0 | -66.7 | -179.1 | 172.1 | 0 | 0 | 108.4 | |||||
| 2 | P | 46.1 | Very low | 44.9 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -109.3 | 147.1 | 171 | 23.7 | -6 | 0 | 0 | 0 | 113 | ||||
| 3 | A | 40.4 | Very low | 45.9 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -58.7 | 134.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S5 | A3-S5 PolarHBondContact O-N 3.5Š| ||
| 4 | G | 37.7 | Very low | 47.3 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 112.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | S | 41.4 | Very low | 48.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -90.7 | 109.2 | 172.9 | -166 | 0 | 0 | 0 | 0 | 109.6 | A3 R7 | A3-S5 PolarHBondContact O-N 3.5Å; S5-R7 PolarHBondContact O-N 3.45Å | ||
| 6 | G | 41.9 | Very low | 49.8 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 118.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H8 | G6-H8 PolarHBondContact O-N 3.35Å; G6-H8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | R | 45.6 | Very low | 50.9 | Low | 253 Ų | 253 | 129.4 Ų | 129.4 | 96% | 0.955 | 74% | 0.743 | S | S | * | * | trans | -80.4 | 90.3 | 170.1 | -82.5 | -177 | 166.4 | -174 | -4.3 | 110.1 | S5 G9 | S5-R7 PolarHBondContact O-N 3.45Å; R7-G9 PolarHBondContact O-N 3.36Å | ||
| 8 | H | 43 | Very low | 52.3 | Low | 193 Ų | 193 | 132.2 Ų | 132.2 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | trans | -71.9 | 98.9 | 161.1 | -86.9 | -94.9 | 0 | 0 | 0 | 109.6 | G6 | G6-H8 PolarHBondContact O-N 3.35Å; G6-H8 VanDerWaalsContact O-N 3.16Å | ||
| 9 | G | 44.9 | Very low | 53.4 | Low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | trans | -137.7 | 53.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R7 | R7-G9 PolarHBondContact O-N 3.36Š| ||
| 10 | L | 49.3 | Very low | 54.3 | Low | 150 Ų | 150 | 125.4 Ų | 125.4 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -147.9 | 29.7 | 178.6 | -140.4 | 92.5 | 0 | 0 | 0 | 118.4 | ||||
| 11 | P | 51.9 | Low | 55 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -95.9 | -27.5 | 172.2 | 32.7 | -31.2 | 0 | 0 | 0 | 114.5 | ||
| 12 | Q | 56.2 | Low | 56.5 | Low | 169 Ų | 169 | 112.3 Ų | 112.3 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.1 | -35.7 | -164.6 | -150.3 | 166.6 | 7.7 | 0 | 0 | 114.2 | H15 L16 | Q12-H15 PolarHBondContact O-N 3.38Å; Q12-L16 PolarHBondContact O-N 3.21Å; Q12-L16 VanDerWaalsContact O-N 3.08Å |
| 13 | G | 58.7 | Low | 57.7 | Low | 34 Ų | 34 | 112.2 Ų | 112.2 | 35% | 0.351 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.4 | -28.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C17 | G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 VanDerWaalsContact O-N 3.12Å |
| 14 | R | 64.6 | Low | 58.9 | Low | 212 Ų | 212 | 110 Ų | 110 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73 | -37.9 | 176.2 | -156.1 | 171.1 | 84.6 | 176.6 | 6.4 | 110.5 | W18 | R14-W18 VanDerWaalsContact O-CB 3.26Å; R14-W18 WeakPolarHBondContact O-CB 3.34Å; R14-W18 PolarHBondContact O-N 3.22Å |
| 15 | H | 65.1 | Low | 60.2 | Low | 117 Ų | 117 | 112 Ų | 112 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.4 | -42.9 | 175.2 | -155 | -93.5 | 0 | 0 | 0 | 111.7 | Q12 W18 L19 | Q12-H15 PolarHBondContact O-N 3.38Å; H15-W18 PolarHBondContact O-N 2.87Å; H15-L19 WeakPolarHBondContact ND1-CD1 3.46Å; H15-L19 WeakPolarHBondContact O-CB 3.38Å; H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.16Å |
| 16 | L | 69.9 | Low | 61.4 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 177.6 | -150.5 | 80.6 | 0 | 0 | 0 | 112.1 | Q12 L19 L20 L123 | Q12-L16 PolarHBondContact O-N 3.21Å; Q12-L16 VanDerWaalsContact O-N 3.08Å; L16-L19 PolarHBondContact O-N 3.14Å; L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.36Å; L16-L123 HydrophobicContact CD2-CD1 4.28Å; L16-L123 HydrophobicContact CD2-CD2 4.29Å |
| 17 | C | 69.5 | Low | 62.3 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 174.6 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | G13 L19 L20 C21 | G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 VanDerWaalsContact O-N 3.12Å; C17-L19 PolarHBondContact O-N 3.37Å; C17-L20 PolarHBondContact O-N 3.06Å; C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.31Å; C17-C21 PolarHBondContact O-SG 3.49Å; C17-C21 VanDerWaalsContact O-SG 3.35Å |
| 18 | W | 75.7 | Confident | 62.7 | Low | 180 Ų | 180 | 109.2 Ų | 109.2 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -41.4 | 178.4 | -158.8 | 83.9 | 0 | 0 | 0 | 112.3 | R14 H15 C21 A22 | R14-W18 VanDerWaalsContact O-CB 3.26Å; R14-W18 WeakPolarHBondContact O-CB 3.34Å; R14-W18 PolarHBondContact O-N 3.22Å; H15-W18 PolarHBondContact O-N 2.87Å; W18-C21 PolarHBondContact O-N 3.13Å; W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.31Å |
| 19 | L | 73.3 | Confident | 63 | Low | 85 Ų | 85 | 108 Ų | 108 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 174.7 | -73.5 | 172.1 | 0 | 0 | 0 | 111.9 | H15 L16 C17 A22 F23 | H15-L19 WeakPolarHBondContact ND1-CD1 3.46Å; H15-L19 WeakPolarHBondContact O-CB 3.38Å; H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.14Å; C17-L19 PolarHBondContact O-N 3.37Å; L19-A22 PolarHBondContact O-N 3.17Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 2.95Å |
| 20 | L | 70 | Confident | 63.1 | Low | 43 Ų | 43 | 108.8 Ų | 108.8 | 23% | 0.225 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -68.5 | -38.3 | 178.6 | -73.9 | 166.2 | 0 | 0 | 0 | 112.3 | L16 C17 T24 F120 L123 | L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.36Å; C17-L20 PolarHBondContact O-N 3.06Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.95Å; L20-F120 HydrophobicContact CB-CE1 3.52Å; L20-F120 HydrophobicContact CB-CZ 3.55Å; L20-F120 HydrophobicContact CD1-CD1 4.12Å; L20-F120 HydrophobicContact CD1-CE1 3.59Å; L20-F120 HydrophobicContact CD1-CZ 4.27Å; L20-F120 HydrophobicContact CD2-CE1 4.33Å; L20-F120 HydrophobicContact CD2-CZ 4.21Å; L20-F120 HydrophobicContact CG-CE1 4.01Å; L20-F120 HydrophobicContact CG-CZ 4.22Å; L20-L123 HydrophobicContact CD1-CD1 3.68Å |
| 21 | C | 69.7 | Low | 62.6 | Low | 59 Ų | 59 | 109.1 Ų | 109.1 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 172.5 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | C17 W18 F23 T24 L25 | C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.31Å; C17-C21 PolarHBondContact O-SG 3.49Å; C17-C21 VanDerWaalsContact O-SG 3.35Å; W18-C21 PolarHBondContact O-N 3.13Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-T24 WeakPolarHBondContact CA-OG1 3.46Å; C21-T24 PolarHBondContact O-OG1 3.17Å; C21-L25 WeakPolarHBondContact O-CB 3.38Å; C21-L25 WeakPolarHBondContact O-CG 3.29Å; C21-L25 PolarHBondContact O-N 3.24Å; C21-L25 VanDerWaalsContact O-N 3.12Å |
| 22 | A | 72 | Confident | 62.1 | Low | 38 Ų | 38 | 108 Ų | 108 | 31% | 0.314 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W18 L19 K26 | W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.31Å; L19-A22 PolarHBondContact O-N 3.17Å; A22-K26 PolarHBondContact O-N 2.91Å; A22-K26 VanDerWaalsContact O-N 3.14Å |
| 23 | F | 70.5 | Confident | 61.2 | Low | 135 Ų | 135 | 105.8 Ų | 105.8 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.5 | -41.4 | 179.2 | -166.6 | -103.8 | 0 | 0 | 0 | 112.4 | L19 C21 K26 L27 | L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 2.95Å; C21-F23 VanDerWaalsContact C-N 3.34Å; F23-K26 PolarHBondContact O-N 3.29Å; F23-L27 HydrophobicContact CD1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.42Å; F23-L27 HydrophobicContact CZ-CD1 4.29Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.15Å |
| 24 | T | 66.1 | Low | 60.2 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 33% | 0.331 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -41 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | L20 C21 K26 L27 C28 V116 F120 | L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.95Å; C21-T24 WeakPolarHBondContact CA-OG1 3.46Å; C21-T24 PolarHBondContact O-OG1 3.17Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.15Å; T24-L27 PolarHBondContact O-N 3.11Å; T24-C28 PolarHBondContact O-N 3.3Å; T24-V116 HydrophobicContact CG2-CG1 4.18Å; T24-F120 HydrophobicContact CG2-CE2 4.31Å; T24-F120 HydrophobicContact CG2-CZ 4.46Å |
| 25 | L | 65.4 | Low | 58.7 | Low | 124 Ų | 124 | 107.9 Ų | 107.9 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -34.2 | 173.6 | -82.3 | 162.3 | 0 | 0 | 0 | 112.9 | C21 | C21-L25 WeakPolarHBondContact O-CB 3.38Å; C21-L25 WeakPolarHBondContact O-CG 3.29Å; C21-L25 PolarHBondContact O-N 3.24Å; C21-L25 VanDerWaalsContact O-N 3.12Å |
| 26 | K | 67 | Low | 57.6 | Low | 164 Ų | 164 | 111.3 Ų | 111.3 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -35.6 | 177.8 | -83 | -72.1 | -179.9 | -176.6 | 0 | 113.3 | A22 F23 T24 C28 Q29 | A22-K26 PolarHBondContact O-N 2.91Å; A22-K26 VanDerWaalsContact O-N 3.14Å; F23-K26 PolarHBondContact O-N 3.29Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.15Å; K26-C28 VanDerWaalsContact C-N 3.31Å; K26-Q29 PolarHBondContact O-N 3.04Å |
| 27 | L | 59.2 | Low | 56.3 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.5 | -30.2 | 176.3 | -77.2 | 160.6 | 0 | 0 | 0 | 112.6 | F23 T24 Q29 A30 | F23-L27 HydrophobicContact CD1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.42Å; F23-L27 HydrophobicContact CZ-CD1 4.29Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.15Å; T24-L27 PolarHBondContact O-N 3.11Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 2.89Å; L27-A30 PolarHBondContact O-N 3.22Å |
| 28 | C | 55.2 | Low | 55 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 72% | 0.723 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.7 | -17.4 | -179.6 | -152 | 0 | 0 | 0 | 0 | 113.5 | T24 K26 A30 | T24-C28 PolarHBondContact O-N 3.3Å; K26-C28 VanDerWaalsContact C-N 3.31Å; C28-A30 VanDerWaalsContact C-N 3.31Å |
| 29 | Q | 49.1 | Very low | 53.4 | Low | 167 Ų | 167 | 119.1 Ų | 119.1 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 1.3 | 178.5 | -71.5 | -84.7 | 7.3 | 0 | 0 | 113.6 | K26 L27 | K26-Q29 PolarHBondContact O-N 3.04Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 2.89Å |
| 30 | A | 46.1 | Very low | 52.3 | Low | 81 Ų | 81 | 119.9 Ų | 119.9 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -1.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L27 C28 A32 | L27-A30 PolarHBondContact O-N 3.22Å; C28-A30 VanDerWaalsContact C-N 3.31Å; A30-A32 PolarHBondContact O-N 3Å |
| 31 | E | 40 | Very low | 50.7 | Low | 158 Ų | 158 | 121.8 Ų | 121.8 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | trans | -82.8 | 95.2 | 175 | -144.1 | 71.1 | -153.8 | 0 | 0 | 109.1 | ||||
| 32 | A | 41.7 | Very low | 49.3 | Very low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | trans | -65.1 | 140.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A30 V34 | A30-A32 PolarHBondContact O-N 3Å; A32-V34 PolarHBondContact O-N 3.46Å | ||
| 33 | P | 37.3 | Very low | 48.3 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | -65.6 | 129.7 | -179.6 | 27.1 | -33.4 | 0 | 0 | 0 | 110.7 | Q35 | P33-Q35 PolarHBondContact O-N 3.35Š| ||
| 34 | V | 36.9 | Very low | 47.5 | Very low | 120 Ų | 120 | 125 Ų | 125 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -59.1 | 108.3 | 168.2 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | A32 E36 | A32-V34 PolarHBondContact O-N 3.46Å; V34-E36 PolarHBondContact O-N 2.88Å | ||
| 35 | Q | 33.3 | Very low | 47.5 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -72.8 | 113.5 | 170.1 | -103.6 | -175 | 6 | 0 | 0 | 108.8 | P33 E37 | P33-Q35 PolarHBondContact O-N 3.35Å; Q35-E37 PolarHBondContact O-N 3.43Å | ||
| 36 | E | 42.5 | Very low | 48 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -75.3 | 95 | 163.9 | -145.7 | 179.8 | 158.2 | 0 | 0 | 107.1 | V34 K38 | V34-E36 PolarHBondContact O-N 2.88Å; E36-K38 PolarHBondContact O-N 3.3Å; E36-K38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | E | 42 | Very low | 48.8 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 106.2 | 171.5 | -89.2 | -143 | 98.2 | 0 | 0 | 109.6 | Q35 L39 | Q35-E37 PolarHBondContact O-N 3.43Å; E37-L39 PolarHBondContact O-N 3.3Å | ||
| 38 | K | 43 | Very low | 50.1 | Low | 187 Ų | 187 | 116.8 Ų | 116.8 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -66.4 | 96.5 | 171.7 | -175.1 | -178.3 | -177.9 | -174.1 | 0 | 109.6 | E36 S40 | E36-K38 PolarHBondContact O-N 3.3Å; E36-K38 VanDerWaalsContact O-N 3.12Å; K38-S40 PolarHBondContact O-N 2.96Å; K38-S40 VanDerWaalsContact O-N 3.16Å | ||
| 39 | L | 42.4 | Very low | 51.5 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | trans | -68.6 | 108.4 | 174.1 | -168 | 70.4 | 0 | 0 | 0 | 110.1 | E37 | E37-L39 PolarHBondContact O-N 3.3Š| ||
| 40 | S | 48.1 | Very low | 53.2 | Low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | trans | -135.3 | 93.3 | 168.6 | -77.8 | 0 | 0 | 0 | 0 | 109.1 | K38 | K38-S40 PolarHBondContact O-N 2.96Å; K38-S40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | A | 38.3 | Very low | 55.1 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 69% | 0.694 | 63% | 0.63 | S | S | * | * | trans | -163.1 | 122.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 42 | S | 40.2 | Very low | 57.3 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | trans | 32.4 | 117.6 | 155.1 | -167.3 | 0 | 0 | 0 | 0 | 120.6 | S44 N45 | S42-S44 PolarHBondContact O-N 2.9Å; S42-S44 PolarHBondContact OG-OG 3.12Å; S42-N45 PolarHBondContact O-N 3.5Å | ||
| 43 | T | 50.6 | Low | 59.4 | Low | 125 Ų | 125 | 111.3 Ų | 111.3 | 77% | 0.767 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -2.9 | 176.4 | -52.7 | 0 | 0 | 0 | 0 | 116.3 | L46 | T43-L46 HydrophobicContact CG2-CD1 3.85Š|
| 44 | S | 54 | Low | 61.7 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -11.8 | -177.5 | 63.2 | 0 | 0 | 0 | 0 | 115.7 | S42 | S42-S44 PolarHBondContact O-N 2.9Å; S42-S44 PolarHBondContact OG-OG 3.12Å |
| 45 | N | 65.7 | Low | 64.1 | Low | 145 Ų | 145 | 107.1 Ų | 107.1 | 78% | 0.775 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -125.4 | 27.5 | 178.1 | -69.5 | -70.4 | 0 | 0 | 0 | 112.3 | S42 | S42-N45 PolarHBondContact O-N 3.5Š|
| 46 | L | 76.4 | Confident | 66.8 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.346 | 56% | 0.56 | S | S | . | * | trans | -65.2 | 136.8 | 179.1 | -70 | 160.9 | 0 | 0 | 0 | 109.6 | T43 L50 V51 | T43-L46 HydrophobicContact CG2-CD1 3.85Å; L46-L50 HydrophobicContact CD2-CD2 3.74Å; L46-V51 HydrophobicContact CB-CG2 4.2Å | ||
| 47 | P | 82.8 | Confident | 68.9 | Low | 43 Ų | 43 | 96.9 Ų | 96.9 | 28% | 0.279 | 54% | 0.54 | S | S | . | . | trans | -68.6 | 147.9 | -180 | 32.5 | -37.6 | 0 | 0 | 0 | 110 | W49 L50 | P47-W49 VanDerWaalsContact CB-NE1 3.28Å; P47-W49 HydrophobicContact CG-CD2 4.49Å; P47-W49 HydrophobicContact CG-CZ2 3.99Å; P47-W49 PolarHBondContact O-N 2.84Å; P47-L50 HydrophobicContact CG-CD1 4.07Å; P47-L50 WeakPolarHBondContact O-CB 3.37Å; P47-L50 PolarHBondContact O-N 3.08Å | ||
| 48 | C | 87.1 | Confident | 71 | Confident | 18 Ų | 18 | 92 Ų | 92 | 12% | 0.122 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -61.3 | -26.4 | -165.6 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | L50 V51 E52 C85 E92 | C48-L50 PolarHBondContact O-N 3.48Å; C48-V51 PolarHBondContact O-N 3.47Å; C48-V51 VanDerWaalsContact O-N 3.16Å; C48-E52 WeakPolarHBondContact O-CB 3.37Å; C48-E52 PolarHBondContact O-N 2.96Å; C48-C85 HydrophobicContact CB-CB 3.78Å; C48-C85 WeakPolarHBondContact CB-SG 3.31Å; C48-C85 WeakPolarHBondContact SG-CB 3.26Å; C48-C85 CovalentContact SG-SG 2.02Å; C48-C85 PolarHBondContact SG-SG 3.29Å; C48-E92 WeakPolarHBondContact SG-CG 3.2Å |
| 49 | W | 83.3 | Confident | 73 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 26% | 0.258 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -72.6 | -9.7 | 177.7 | 61.9 | -88.7 | 0 | 0 | 0 | 114.9 | P47 F54 I83 C85 K94 | P47-W49 VanDerWaalsContact CB-NE1 3.28Å; P47-W49 HydrophobicContact CG-CD2 4.49Å; P47-W49 HydrophobicContact CG-CZ2 3.99Å; P47-W49 PolarHBondContact O-N 2.84Å; W49-F54 HydrophobicContact CB-CB 4.2Å; W49-F54 HydrophobicContact CB-CD1 3.68Å; W49-F54 HydrophobicContact CB-CE1 4.26Å; W49-F54 HydrophobicContact CB-CG 3.97Å; W49-I83 HydrophobicContact CB-CD1 3.41Å; W49-I83 VanDerWaalsContact CB-CD1 3.41Å; W49-I83 HydrophobicContact CD2-CD1 4.38Å; W49-I83 HydrophobicContact CG-CD1 3.5Å; W49-I83 VanDerWaalsContact CG-CD1 3.5Å; W49-C85 PolarHBondContact N-SG 3.34Å; W49-K94 HydrophobicContact CD2-CD 4Å; W49-K94 HydrophobicContact CE3-CD 3.99Å; W49-K94 HydrophobicContact CH2-CD 3.98Å; W49-K94 HydrophobicContact CZ2-CD 3.96Å; W49-K94 HydrophobicContact CZ2-CG 4.2Å; W49-K94 HydrophobicContact CZ3-CD 3.99Å |
| 50 | L | 85.6 | Confident | 75.2 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 45% | 0.45 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -83.7 | -21 | 170.4 | -110.2 | 75.4 | 0 | 0 | 0 | 112.7 | L46 P47 C48 | L46-L50 HydrophobicContact CD2-CD2 3.74Å; P47-L50 HydrophobicContact CG-CD1 4.07Å; P47-L50 WeakPolarHBondContact O-CB 3.37Å; P47-L50 PolarHBondContact O-N 3.08Å; C48-L50 PolarHBondContact O-N 3.48Å |
| 51 | V | 86.5 | Confident | 77 | Confident | 109 Ų | 109 | 83 Ų | 83 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -29.4 | -168.2 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | L46 C48 | L46-V51 HydrophobicContact CB-CG2 4.2Å; C48-V51 PolarHBondContact O-N 3.47Å; C48-V51 VanDerWaalsContact O-N 3.16Å |
| 52 | E | 85.9 | Confident | 79.4 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 24% | 0.243 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -118.9 | 155.6 | -177.9 | -53.5 | -173.9 | 154.2 | 0 | 0 | 111.1 | C48 F54 C85 S87 S88 | C48-E52 WeakPolarHBondContact O-CB 3.37Å; C48-E52 PolarHBondContact O-N 2.96Å; E52-F54 PolarHBondContact O-N 3.34Å; E52-C85 WeakPolarHBondContact OE2-CB 3.34Å; E52-S87 VanDerWaalsContact OE1-CB 3.24Å; E52-S87 WeakPolarHBondContact OE1-CB 3.45Å; E52-S87 PolarHBondContact OE1-OG 3.15Å; E52-S87 WeakPolarHBondContact OE2-CB 3.45Å; E52-S88 VanDerWaalsContact OE2-CB 3.32Å; E52-S88 WeakPolarHBondContact OE2-CB 3.32Å; E52-S88 PolarHBondContact OE2-N 3.31Å; E52-S88 PolarHBondContact OE2-OG 3.48Å |
| 53 | E | 85.3 | Confident | 81.7 | Confident | 163 Ų | 163 | 80.2 Ų | 80.2 | 76% | 0.762 | 45% | 0.449 | S | S | * | . | trans | -64.2 | 134.4 | 165.3 | -170.9 | 170.4 | -160.7 | 0 | 0 | 109.3 | S86 | E53-S86 VanDerWaalsContact O-CB 3.27Å; E53-S86 WeakPolarHBondContact O-CB 3.29Å; E53-S86 PolarHBondContact O-N 3.38Å; E53-S86 PolarHBondContact O-OG 2.99Å | ||
| 54 | F | 86.1 | Confident | 83.5 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 31% | 0.311 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.1 | -177.5 | 67.8 | -89.4 | 0 | 0 | 0 | 110.7 | W49 E52 V56 I83 | W49-F54 HydrophobicContact CB-CB 4.2Å; W49-F54 HydrophobicContact CB-CD1 3.68Å; W49-F54 HydrophobicContact CB-CE1 4.26Å; W49-F54 HydrophobicContact CB-CG 3.97Å; E52-F54 PolarHBondContact O-N 3.34Å; F54-V56 HydrophobicContact CD2-CG2 4.35Å; F54-V56 HydrophobicContact CE2-CG2 4Å; F54-I83 HydrophobicContact CB-CB 4.49Å; F54-I83 HydrophobicContact CD2-CB 3.96Å; F54-I83 HydrophobicContact CD2-CD1 4.3Å; F54-I83 HydrophobicContact CD2-CG2 3.75Å; F54-I83 HydrophobicContact CE2-CG2 4.09Å; F54-I83 HydrophobicContact CG-CD1 4.44Å |
| 55 | V | 88.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.1 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | T57 I83 T84 | V55-T57 PolarHBondContact O-N 2.96Å; V55-T57 PolarHBondContact O-OG1 3.23Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; V55-T84 PolarHBondContact N-O 3.46Å; V55-T84 PolarHBondContact O-N 2.89Å |
| 56 | V | 87.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 113.8 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | F54 T58 I83 | F54-V56 HydrophobicContact CD2-CG2 4.35Å; F54-V56 HydrophobicContact CE2-CG2 4Å; V56-T58 WeakPolarHBondContact CG1-O 3.4Å; V56-I83 HydrophobicContact CG2-CG2 4.12Å |
| 57 | T | 87.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 48% | 0.479 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -28.7 | -177 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | V55 K82 T84 | V55-T57 PolarHBondContact O-N 2.96Å; V55-T57 PolarHBondContact O-OG1 3.23Å; T57-K82 PolarHBondContact N-O 3.45Å; T57-T84 WeakPolarHBondContact OG1-CB 3.47Å; T57-T84 PolarHBondContact OG1-OG1 3.27Å |
| 58 | T | 85.5 | Confident | 86.9 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.7 | 174.5 | -49.8 | 0 | 0 | 0 | 0 | 108.9 | V56 K82 | V56-T58 WeakPolarHBondContact CG1-O 3.4Å; T58-K82 PolarHBondContact N-O 3.27Å; T58-K82 VanDerWaalsContact N-O 3.1Å; T58-K82 PolarHBondContact O-N 3.48Å |
| 59 | E | 85.7 | Confident | 86.9 | Confident | 169 Ų | 169 | 87.8 Ų | 87.8 | 79% | 0.79 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 157.2 | 177.1 | -62.6 | -176.4 | 176.2 | 0 | 0 | 111.8 | S61 | E59-S61 PolarHBondContact O-N 2.97Å; E59-S61 VanDerWaalsContact O-N 3.14Å |
| 60 | C | 88.7 | Confident | 87.1 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 116.4 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | C96 | C60-C96 WeakPolarHBondContact CA-SG 3.23Å; C60-C96 HydrophobicContact CB-CB 3.73Å; C60-C96 WeakPolarHBondContact CB-SG 3.27Å; C60-C96 WeakPolarHBondContact SG-CB 3.47Å; C60-C96 CovalentContact SG-SG 2.01Å; C60-C96 PolarHBondContact SG-SG 3.3Å |
| 61 | S | 87 | Confident | 87 | Confident | 45 Ų | 45 | 85 Ų | 85 | 32% | 0.315 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.9 | -173.2 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | E59 Y79 V80 | E59-S61 PolarHBondContact O-N 2.97Å; E59-S61 VanDerWaalsContact O-N 3.14Å; S61-Y79 VanDerWaalsContact C-CD1 3.42Å; S61-Y79 WeakPolarHBondContact O-CA 3.11Å; S61-V80 PolarHBondContact N-O 2.88Å; S61-V80 PolarHBondContact O-N 3.34Å |
| 62 | P | 88.4 | Confident | 87 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.3 | -179.9 | 26.4 | -33.6 | 0 | 0 | 0 | 110.6 | S64 Y79 | P62-S64 PolarHBondContact O-N 3.41Å; P62-Y79 HydrophobicContact CB-CD1 4.11Å; P62-Y79 HydrophobicContact CB-CE1 3.67Å; P62-Y79 HydrophobicContact CG-CE1 4.23Å |
| 63 | C | 88.3 | Confident | 86.9 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.4 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | Q67 A68 C74 G78 | C63-Q67 HydrophobicContact CB-CB 4.47Å; C63-A68 HydrophobicContact CB-CB 4.42Å; C63-C74 HydrophobicContact CB-CB 3.78Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 VanDerWaalsContact SG-CA 3.58Å; C63-C74 WeakPolarHBondContact SG-CB 3.31Å; C63-C74 CovalentContact SG-SG 2.03Å; C63-C74 PolarHBondContact SG-SG 3.34Å; C63-G78 WeakPolarHBondContact CB-O 3.37Å; C63-G78 PolarHBondContact N-O 3.46Å; C63-G78 VanDerWaalsContact SG-C 3.59Å; C63-G78 PolarHBondContact SG-O 2.94Å; C63-G78 VanDerWaalsContact SG-O 3.41Å |
| 64 | S | 88.8 | Confident | 87 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 158.2 | 168.3 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | P62 F66 Q67 A68 | P62-S64 PolarHBondContact O-N 3.41Å; S64-F66 PolarHBondContact O-N 3.31Å; S64-F66 VanDerWaalsContact O-N 3.08Å; S64-Q67 PolarHBondContact O-N 3.39Å; S64-Q67 WeakPolarHBondContact OG-CB 3.5Å; S64-Q67 WeakPolarHBondContact OG-CG 3.5Å; S64-Q67 PolarHBondContact OG-N 3.12Å; S64-A68 WeakPolarHBondContact O-CB 3.4Å; S64-A68 PolarHBondContact O-N 2.93Å |
| 65 | N | 88 | Confident | 86.8 | Confident | 144 Ų | 144 | 78.1 Ų | 78.1 | 77% | 0.77 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.5 | 178.7 | -108.8 | -86.6 | 0 | 0 | 0 | 113.3 | ||
| 66 | F | 89.6 | Confident | 86.4 | Confident | 151 Ų | 151 | 78.5 Ų | 78.5 | 66% | 0.662 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -49.6 | 175.8 | -178.9 | -103.3 | 0 | 0 | 0 | 111.4 | S64 A68 K69 T70 | S64-F66 PolarHBondContact O-N 3.31Å; S64-F66 VanDerWaalsContact O-N 3.08Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.93Å; F66-K69 PolarHBondContact O-N 3.1Å; F66-T70 HydrophobicContact CD1-CG2 4.26Å; F66-T70 HydrophobicContact CD2-CG2 4.2Å; F66-T70 HydrophobicContact CE1-CG2 3.84Å; F66-T70 HydrophobicContact CE2-CG2 3.77Å; F66-T70 HydrophobicContact CG-CG2 4.44Å; F66-T70 HydrophobicContact CZ-CG2 3.58Å; F66-T70 PolarHBondContact O-N 3.01Å; F66-T70 PolarHBondContact O-OG1 3.29Å |
| 67 | Q | 84.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 78 Ų | 78 | 28% | 0.28 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 179.3 | -75.5 | 176.8 | -4.4 | 0 | 0 | 112.7 | C63 S64 K69 T70 T71 | C63-Q67 HydrophobicContact CB-CB 4.47Å; S64-Q67 PolarHBondContact O-N 3.39Å; S64-Q67 WeakPolarHBondContact OG-CB 3.5Å; S64-Q67 WeakPolarHBondContact OG-CG 3.5Å; S64-Q67 PolarHBondContact OG-N 3.12Å; Q67-K69 PolarHBondContact O-N 3.07Å; Q67-K69 VanDerWaalsContact O-N 3.1Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.37Å; Q67-T70 PolarHBondContact O-N 3.14Å; Q67-T71 WeakPolarHBondContact O-CA 3.45Å; Q67-T71 WeakPolarHBondContact O-CB 3.41Å; Q67-T71 PolarHBondContact O-N 2.93Å; Q67-T71 PolarHBondContact O-OG1 3.42Å |
| 68 | A | 86.5 | Confident | 86 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.2 | -25 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C63 S64 F66 | C63-A68 HydrophobicContact CB-CB 4.42Å; S64-A68 WeakPolarHBondContact O-CB 3.4Å; S64-A68 PolarHBondContact O-N 2.93Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.93Å |
| 69 | K | 87.6 | Confident | 86.1 | Confident | 180 Ų | 180 | 75.2 Ų | 75.2 | 78% | 0.783 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -97.5 | -30.3 | 178.1 | -63.7 | -175.1 | -179.9 | -172.1 | 0 | 113.3 | F66 Q67 | F66-K69 PolarHBondContact O-N 3.1Å; Q67-K69 PolarHBondContact O-N 3.07Å; Q67-K69 VanDerWaalsContact O-N 3.1Å |
| 70 | T | 86.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -99 | -21 | -173.5 | 56 | 0 | 0 | 0 | 0 | 113.6 | F66 Q67 | F66-T70 HydrophobicContact CD1-CG2 4.26Å; F66-T70 HydrophobicContact CD2-CG2 4.2Å; F66-T70 HydrophobicContact CE1-CG2 3.84Å; F66-T70 HydrophobicContact CE2-CG2 3.77Å; F66-T70 HydrophobicContact CG-CG2 4.44Å; F66-T70 HydrophobicContact CZ-CG2 3.58Å; F66-T70 PolarHBondContact O-N 3.01Å; F66-T70 PolarHBondContact O-OG1 3.29Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.37Å; Q67-T70 PolarHBondContact O-N 3.14Å |
| 71 | T | 85.1 | Confident | 86.4 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 13% | 0.129 | 40% | 0.397 | C | S | . | . | trans | -113.6 | 109.2 | -176.6 | -49.1 | 0 | 0 | 0 | 0 | 108.8 | Q67 E73 C74 F93 | Q67-T71 WeakPolarHBondContact O-CA 3.45Å; Q67-T71 WeakPolarHBondContact O-CB 3.41Å; Q67-T71 PolarHBondContact O-N 2.93Å; Q67-T71 PolarHBondContact O-OG1 3.42Å; T71-E73 HydrophobicContact CG2-CB 4.03Å; T71-E73 HydrophobicContact CG2-CG 4.37Å; T71-E73 PolarHBondContact O-N 3.3Å; T71-C74 WeakPolarHBondContact O-CB 3.39Å; T71-C74 PolarHBondContact O-N 2.9Å; T71-C74 VanDerWaalsContact O-N 3.12Å; T71-F93 HydrophobicContact CG2-CB 4.13Å; T71-F93 HydrophobicContact CG2-CG 4.45Å | ||
| 72 | P | 84.9 | Confident | 86.6 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 69% | 0.688 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -63 | -28.1 | -177.4 | 25.7 | -33.9 | 0 | 0 | 0 | 112.5 | C74 G75 | P72-C74 PolarHBondContact O-N 2.97Å; P72-C74 VanDerWaalsContact O-N 3.1Å; P72-G75 PolarHBondContact O-N 3.46Å |
| 73 | E | 85.5 | Confident | 86.7 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 34% | 0.341 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -61.6 | -17.2 | 176.4 | -54.7 | -58.5 | 141.7 | 0 | 0 | 113.8 | T71 V80 S95 | T71-E73 HydrophobicContact CG2-CB 4.03Å; T71-E73 HydrophobicContact CG2-CG 4.37Å; T71-E73 PolarHBondContact O-N 3.3Å; E73-V80 HydrophobicContact CB-CG1 4.06Å; E73-S95 WeakPolarHBondContact O-CB 3.48Å |
| 74 | C | 86.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -78.3 | -18.8 | 172.8 | -75.1 | 0 | 0 | 0 | 0 | 113.4 | C63 T71 P72 G78 V80 | C63-C74 HydrophobicContact CB-CB 3.78Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 VanDerWaalsContact SG-CA 3.58Å; C63-C74 WeakPolarHBondContact SG-CB 3.31Å; C63-C74 CovalentContact SG-SG 2.03Å; C63-C74 PolarHBondContact SG-SG 3.34Å; T71-C74 WeakPolarHBondContact O-CB 3.39Å; T71-C74 PolarHBondContact O-N 2.9Å; T71-C74 VanDerWaalsContact O-N 3.12Å; P72-C74 PolarHBondContact O-N 2.97Å; P72-C74 VanDerWaalsContact O-N 3.1Å; C74-G78 WeakPolarHBondContact O-CA 3.2Å; C74-G78 PolarHBondContact O-N 3.09Å; C74-V80 HydrophobicContact CB-CG1 4.43Å; C74-V80 WeakPolarHBondContact SG-CG1 3.48Å |
| 75 | G | 81.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 67% | 0.67 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -48.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P72 | P72-G75 PolarHBondContact O-N 3.46Š|
| 76 | P | 80.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -39.7 | -171.3 | 25.4 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 77 | T | 82.2 | Confident | 86.7 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -20.2 | -175.7 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | Y79 C96 | T77-Y79 WeakPolarHBondContact O-CD2 3.47Å; T77-Y79 PolarHBondContact O-N 2.87Å; T77-Y79 PolarHBondContact OG1-N 3.37Å; T77-Y79 PolarHBondContact OG1-O 3.18Å; T77-Y79 VanDerWaalsContact OG1-O 3.08Å; T77-C96 PolarHBondContact OG1-O 3.46Å; T77-C96 VanDerWaalsContact OG1-O 3.12Å |
| 78 | G | 85.9 | Confident | 86.6 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 76 | 6.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C63 C74 | C63-G78 WeakPolarHBondContact CB-O 3.37Å; C63-G78 PolarHBondContact N-O 3.46Å; C63-G78 VanDerWaalsContact SG-C 3.59Å; C63-G78 PolarHBondContact SG-O 2.94Å; C63-G78 VanDerWaalsContact SG-O 3.41Å; C74-G78 WeakPolarHBondContact O-CA 3.2Å; C74-G78 PolarHBondContact O-N 3.09Å |
| 79 | Y | 86 | Confident | 86.6 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.1 | -179.2 | -71.6 | -101.9 | 0 | 0 | 0 | 110.8 | S61 P62 T77 C96 M101 | S61-Y79 VanDerWaalsContact C-CD1 3.42Å; S61-Y79 WeakPolarHBondContact O-CA 3.11Å; P62-Y79 HydrophobicContact CB-CD1 4.11Å; P62-Y79 HydrophobicContact CB-CE1 3.67Å; P62-Y79 HydrophobicContact CG-CE1 4.23Å; T77-Y79 WeakPolarHBondContact O-CD2 3.47Å; T77-Y79 PolarHBondContact O-N 2.87Å; T77-Y79 PolarHBondContact OG1-N 3.37Å; T77-Y79 PolarHBondContact OG1-O 3.18Å; T77-Y79 VanDerWaalsContact OG1-O 3.08Å; Y79-C96 PolarHBondContact O-N 2.95Å; Y79-M101 HydrophobicContact CE2-CE 3.76Å; Y79-M101 HydrophobicContact CE2-CG 4.23Å; Y79-M101 HydrophobicContact CE2-SD 4.41Å; Y79-M101 WeakPolarHBondContact OH-CE 3.31Å; Y79-M101 PolarHBondContact OH-SD 3.12Å; Y79-M101 VanDerWaalsContact OH-SD 3.39Å |
| 80 | V | 90.9 | Very high | 86.5 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146 | 178 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | S61 E73 C74 K94 | S61-V80 PolarHBondContact N-O 2.88Å; S61-V80 PolarHBondContact O-N 3.34Å; E73-V80 HydrophobicContact CB-CG1 4.06Å; C74-V80 HydrophobicContact CB-CG1 4.43Å; C74-V80 WeakPolarHBondContact SG-CG1 3.48Å; V80-K94 VanDerWaalsContact CA-O 3.31Å; V80-K94 WeakPolarHBondContact CA-O 3.27Å |
| 81 | E | 90.4 | Very high | 86.5 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.7 | 166.9 | 65.3 | -175.5 | -177.4 | 0 | 0 | 109.5 | I83 K94 C96 | E81-I83 HydrophobicContact CG-CG2 4.24Å; E81-K94 HydrophobicContact CG-CB 4.05Å; E81-K94 PolarHBondContact N-O 2.91Å; E81-K94 PolarHBondContact O-N 3.31Å; E81-K94 VanDerWaalsContact O-N 3.07Å; E81-K94 WeakPolarHBondContact OE1-CD 3.43Å; E81-K94 IonicContact OE1-NZ 3.15Å; E81-C96 HydrophobicContact CB-CB 4.06Å; E81-C96 HydrophobicContact CG-CB 3.96Å; E81-C96 PolarHBondContact N-SG 2.95Å |
| 82 | K | 91 | Very high | 86.7 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.7 | 177.9 | -167.9 | -177.8 | -171 | 179.6 | 0 | 108.6 | T57 T58 I91 F93 | T57-K82 PolarHBondContact N-O 3.45Å; T58-K82 PolarHBondContact N-O 3.27Å; T58-K82 VanDerWaalsContact N-O 3.1Å; T58-K82 PolarHBondContact O-N 3.48Å; K82-I91 HydrophobicContact CD-CG2 4.1Å; K82-I91 HydrophobicContact CG-CG2 3.79Å; K82-F93 HydrophobicContact CB-CD1 4.42Å; K82-F93 HydrophobicContact CB-CE1 4.24Å; K82-F93 HydrophobicContact CD-CE1 4.29Å; K82-F93 HydrophobicContact CG-CD1 4.39Å; K82-F93 HydrophobicContact CG-CE1 3.96Å; K82-F93 HydrophobicContact CG-CZ 4.46Å |
| 83 | I | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.9 | -179.1 | 61.6 | -178.5 | 0 | 0 | 0 | 109.9 | W49 F54 V55 V56 E81 I91 E92 K94 | W49-I83 HydrophobicContact CB-CD1 3.41Å; W49-I83 VanDerWaalsContact CB-CD1 3.41Å; W49-I83 HydrophobicContact CD2-CD1 4.38Å; W49-I83 HydrophobicContact CG-CD1 3.5Å; W49-I83 VanDerWaalsContact CG-CD1 3.5Å; F54-I83 HydrophobicContact CB-CB 4.49Å; F54-I83 HydrophobicContact CD2-CB 3.96Å; F54-I83 HydrophobicContact CD2-CD1 4.3Å; F54-I83 HydrophobicContact CD2-CG2 3.75Å; F54-I83 HydrophobicContact CE2-CG2 4.09Å; F54-I83 HydrophobicContact CG-CD1 4.44Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; V56-I83 HydrophobicContact CG2-CG2 4.12Å; E81-I83 HydrophobicContact CG-CG2 4.24Å; I83-I91 WeakPolarHBondContact O-CA 3.31Å; I83-E92 HydrophobicContact CD1-CB 4.44Å; I83-E92 HydrophobicContact CG1-CB 4.06Å; I83-E92 WeakPolarHBondContact CG1-O 3.27Å; I83-E92 PolarHBondContact N-O 3.44Å; I83-E92 PolarHBondContact O-N 3.43Å; I83-K94 HydrophobicContact CD1-CB 4.28Å |
| 84 | T | 91.2 | Very high | 86.9 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.4 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 107.9 | V55 T57 R90 | V55-T84 PolarHBondContact N-O 3.46Å; V55-T84 PolarHBondContact O-N 2.89Å; T57-T84 WeakPolarHBondContact OG1-CB 3.47Å; T57-T84 PolarHBondContact OG1-OG1 3.27Å; T84-R90 WeakPolarHBondContact CA-O 3.49Å |
| 85 | C | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132 | 178.5 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | C48 W49 E52 S88 K89 R90 | C48-C85 HydrophobicContact CB-CB 3.78Å; C48-C85 WeakPolarHBondContact CB-SG 3.31Å; C48-C85 WeakPolarHBondContact SG-CB 3.26Å; C48-C85 CovalentContact SG-SG 2.02Å; C48-C85 PolarHBondContact SG-SG 3.29Å; W49-C85 PolarHBondContact N-SG 3.34Å; E52-C85 WeakPolarHBondContact OE2-CB 3.34Å; C85-S88 WeakPolarHBondContact CB-OG 3.48Å; C85-K89 WeakPolarHBondContact O-CA 3.32Å; C85-K89 PolarHBondContact O-N 3.49Å; C85-R90 PolarHBondContact N-O 3.35Å |
| 86 | S | 88.8 | Confident | 87.2 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 42% | 0.42 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -36.7 | -168.6 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | E53 | E53-S86 VanDerWaalsContact O-CB 3.27Å; E53-S86 WeakPolarHBondContact O-CB 3.29Å; E53-S86 PolarHBondContact O-N 3.38Å; E53-S86 PolarHBondContact O-OG 2.99Å |
| 87 | S | 84.4 | Confident | 87.1 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -49.7 | -177.1 | 152.6 | 0 | 0 | 0 | 0 | 111.4 | E52 | E52-S87 VanDerWaalsContact OE1-CB 3.24Å; E52-S87 WeakPolarHBondContact OE1-CB 3.45Å; E52-S87 PolarHBondContact OE1-OG 3.15Å; E52-S87 WeakPolarHBondContact OE2-CB 3.45Å |
| 88 | S | 83.4 | Confident | 86.6 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.4 | -178.8 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | E52 C85 R90 | E52-S88 VanDerWaalsContact OE2-CB 3.32Å; E52-S88 WeakPolarHBondContact OE2-CB 3.32Å; E52-S88 PolarHBondContact OE2-N 3.31Å; E52-S88 PolarHBondContact OE2-OG 3.48Å; C85-S88 WeakPolarHBondContact CB-OG 3.48Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 VanDerWaalsContact O-N 3.07Å |
| 89 | K | 86.4 | Confident | 85.9 | Confident | 171 Ų | 171 | 62.1 Ų | 62.1 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | trans | 52.7 | 22.3 | -171.8 | -60.9 | -171.8 | 179.9 | -177.4 | 0 | 114 | C85 | C85-K89 WeakPolarHBondContact O-CA 3.32Å; C85-K89 PolarHBondContact O-N 3.49Å | ||
| 90 | R | 85.8 | Confident | 85 | Confident | 166 Ų | 166 | 64.9 Ų | 64.9 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | -81.6 | 141.1 | 177.6 | -67.9 | 179.5 | -176.8 | -160.6 | 2 | 109.8 | T84 C85 S88 | T84-R90 WeakPolarHBondContact CA-O 3.49Å; C85-R90 PolarHBondContact N-O 3.35Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 VanDerWaalsContact O-N 3.07Å | ||
| 91 | I | 87 | Confident | 83.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 45% | 0.451 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.3 | 174.3 | -64.6 | 175.8 | 0 | 0 | 0 | 107 | K82 I83 | K82-I91 HydrophobicContact CD-CG2 4.1Å; K82-I91 HydrophobicContact CG-CG2 3.79Å; I83-I91 WeakPolarHBondContact O-CA 3.31Å |
| 92 | E | 87.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 158.3 | 174.3 | -66.4 | -64.9 | 167.7 | 0 | 0 | 109.9 | C48 I83 | C48-E92 WeakPolarHBondContact SG-CG 3.2Å; I83-E92 HydrophobicContact CD1-CB 4.44Å; I83-E92 HydrophobicContact CG1-CB 4.06Å; I83-E92 WeakPolarHBondContact CG1-O 3.27Å; I83-E92 PolarHBondContact N-O 3.44Å; I83-E92 PolarHBondContact O-N 3.43Å |
| 93 | F | 88.1 | Confident | 82 | Confident | 70 Ų | 70 | 73 Ų | 73 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.6 | 173.1 | -64.4 | -83.9 | 0 | 0 | 0 | 108.9 | T71 K82 | T71-F93 HydrophobicContact CG2-CB 4.13Å; T71-F93 HydrophobicContact CG2-CG 4.45Å; K82-F93 HydrophobicContact CB-CD1 4.42Å; K82-F93 HydrophobicContact CB-CE1 4.24Å; K82-F93 HydrophobicContact CD-CE1 4.29Å; K82-F93 HydrophobicContact CG-CD1 4.39Å; K82-F93 HydrophobicContact CG-CE1 3.96Å; K82-F93 HydrophobicContact CG-CZ 4.46Å |
| 94 | K | 87.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 21% | 0.213 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.3 | 177.4 | -179.9 | 179.4 | 167.3 | -166.7 | 0 | 109.6 | W49 V80 E81 I83 C96 | W49-K94 HydrophobicContact CD2-CD 4Å; W49-K94 HydrophobicContact CE3-CD 3.99Å; W49-K94 HydrophobicContact CH2-CD 3.98Å; W49-K94 HydrophobicContact CZ2-CD 3.96Å; W49-K94 HydrophobicContact CZ2-CG 4.2Å; W49-K94 HydrophobicContact CZ3-CD 3.99Å; V80-K94 VanDerWaalsContact CA-O 3.31Å; V80-K94 WeakPolarHBondContact CA-O 3.27Å; E81-K94 HydrophobicContact CG-CB 4.05Å; E81-K94 PolarHBondContact N-O 2.91Å; E81-K94 PolarHBondContact O-N 3.31Å; E81-K94 VanDerWaalsContact O-N 3.07Å; E81-K94 WeakPolarHBondContact OE1-CD 3.43Å; E81-K94 IonicContact OE1-NZ 3.15Å; I83-K94 HydrophobicContact CD1-CB 4.28Å; K94-C96 PolarHBondContact O-N 3.34Å |
| 95 | S | 87.5 | Confident | 80.8 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 28% | 0.28 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.5 | 170.1 | 63.1 | 0 | 0 | 0 | 0 | 110 | E73 | E73-S95 WeakPolarHBondContact O-CB 3.48Å |
| 96 | C | 86.4 | Confident | 80.5 | Confident | 9 Ų | 9 | 87.4 Ų | 87.4 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | trans | -119.3 | 148.8 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | C60 T77 Y79 E81 K94 | C60-C96 WeakPolarHBondContact CA-SG 3.23Å; C60-C96 HydrophobicContact CB-CB 3.73Å; C60-C96 WeakPolarHBondContact CB-SG 3.27Å; C60-C96 WeakPolarHBondContact SG-CB 3.47Å; C60-C96 CovalentContact SG-SG 2.01Å; C60-C96 PolarHBondContact SG-SG 3.3Å; T77-C96 PolarHBondContact OG1-O 3.46Å; T77-C96 VanDerWaalsContact OG1-O 3.12Å; Y79-C96 PolarHBondContact O-N 2.95Å; E81-C96 HydrophobicContact CB-CB 4.06Å; E81-C96 HydrophobicContact CG-CB 3.96Å; E81-C96 PolarHBondContact N-SG 2.95Å; K94-C96 PolarHBondContact O-N 3.34Å | ||
| 97 | R | 78.6 | Confident | 80.4 | Confident | 171 Ų | 171 | 94 Ų | 94 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | trans | -106.9 | 99 | 172.8 | -169.5 | 173 | 177.6 | 111.3 | 6.3 | 107.4 | A99 E102 | R97-A99 PolarHBondContact O-N 3.28Å; R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NE-OE1 3.88Å; R97-E102 PolarHBondContact NE-OE1 3.07Å; R97-E102 IonicContact NH2-OE1 2.68Å; R97-E102 PolarHBondContact NH2-OE1 3.39Å | ||
| 98 | S | 71.4 | Confident | 80.3 | Confident | 25 Ų | 25 | 97.4 Ų | 97.4 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | trans | -74.4 | 122.6 | -178.1 | -174.5 | 0 | 0 | 0 | 0 | 111 | L100 M101 E102 | S98-L100 PolarHBondContact O-N 3.34Å; S98-L100 PolarHBondContact OG-N 3.16Å; S98-M101 WeakPolarHBondContact O-CB 3.45Å; S98-M101 PolarHBondContact O-N 3Å; S98-M101 VanDerWaalsContact O-N 3.09Å; S98-E102 PolarHBondContact O-N 3.21Å | ||
| 99 | A | 71.1 | Confident | 80.5 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 51% | 0.512 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R97 M101 E102 Q103 | R97-A99 PolarHBondContact O-N 3.28Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 PolarHBondContact O-N 3.39Å; A99-E102 PolarHBondContact O-N 3.07Å; A99-Q103 WeakPolarHBondContact O-CG 3.31Å; A99-Q103 PolarHBondContact O-N 3.47Å; A99-Q103 VanDerWaalsContact O-N 3.11Å |
| 100 | L | 66.1 | Low | 80.7 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.3 | -34.4 | 175.5 | -67.7 | 176.1 | 0 | 0 | 0 | 112 | S98 Q103 H104 | S98-L100 PolarHBondContact O-N 3.34Å; S98-L100 PolarHBondContact OG-N 3.16Å; L100-Q103 PolarHBondContact O-N 3.18Å; L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 PolarHBondContact O-N 3.05Å |
| 101 | M | 66.1 | Low | 80.9 | Confident | 70 Ų | 70 | 91.6 Ų | 91.6 | 35% | 0.345 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 176.1 | -176.8 | 59.7 | 152.7 | 0 | 0 | 111.2 | Y79 S98 A99 Q103 H104 L105 | Y79-M101 HydrophobicContact CE2-CE 3.76Å; Y79-M101 HydrophobicContact CE2-CG 4.23Å; Y79-M101 HydrophobicContact CE2-SD 4.41Å; Y79-M101 WeakPolarHBondContact OH-CE 3.31Å; Y79-M101 PolarHBondContact OH-SD 3.12Å; Y79-M101 VanDerWaalsContact OH-SD 3.39Å; S98-M101 WeakPolarHBondContact O-CB 3.45Å; S98-M101 PolarHBondContact O-N 3Å; S98-M101 VanDerWaalsContact O-N 3.09Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 PolarHBondContact O-N 3.39Å; M101-Q103 VanDerWaalsContact C-N 3.27Å; M101-Q103 PolarHBondContact O-N 2.95Å; M101-H104 PolarHBondContact O-N 2.87Å; M101-L105 PolarHBondContact O-N 3.2Å |
| 102 | E | 70.2 | Confident | 81 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 41% | 0.407 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 174.7 | -63 | -170.7 | 140.3 | 0 | 0 | 111.4 | R97 S98 A99 L105 F106 | R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NE-OE1 3.88Å; R97-E102 PolarHBondContact NE-OE1 3.07Å; R97-E102 IonicContact NH2-OE1 2.68Å; R97-E102 PolarHBondContact NH2-OE1 3.39Å; S98-E102 PolarHBondContact O-N 3.21Å; A99-E102 PolarHBondContact O-N 3.07Å; E102-L105 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-CB 3.23Å; E102-F106 WeakPolarHBondContact O-CB 3.42Å; E102-F106 PolarHBondContact O-N 2.98Å |
| 103 | Q | 74.1 | Confident | 81.1 | Confident | 116 Ų | 116 | 89.9 Ų | 89.9 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.7 | -71.5 | -177.6 | -2.8 | 0 | 0 | 112.8 | A99 L100 M101 F106 W107 | A99-Q103 WeakPolarHBondContact O-CG 3.31Å; A99-Q103 PolarHBondContact O-N 3.47Å; A99-Q103 VanDerWaalsContact O-N 3.11Å; L100-Q103 PolarHBondContact O-N 3.18Å; M101-Q103 VanDerWaalsContact C-N 3.27Å; M101-Q103 PolarHBondContact O-N 2.95Å; Q103-F106 WeakPolarHBondContact O-CB 3.28Å; Q103-F106 PolarHBondContact O-N 2.76Å; Q103-W107 VanDerWaalsContact O-CD1 3.31Å; Q103-W107 PolarHBondContact O-N 2.68Å |
| 104 | H | 77.6 | Confident | 81.3 | Confident | 125 Ų | 125 | 90.7 Ų | 90.7 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.3 | -78.3 | -58.7 | 0 | 0 | 0 | 112.4 | L100 M101 F106 W107 K108 | L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 PolarHBondContact O-N 3.05Å; M101-H104 PolarHBondContact O-N 2.87Å; H104-F106 VanDerWaalsContact C-N 3.32Å; H104-W107 PolarHBondContact O-N 3.29Å; H104-K108 VanDerWaalsContact O-CG 3.28Å; H104-K108 WeakPolarHBondContact O-CG 3.42Å; H104-K108 PolarHBondContact O-N 3.5Å |
| 105 | L | 79.1 | Confident | 81.5 | Confident | 95 Ų | 95 | 94.4 Ų | 94.4 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.9 | -125.9 | 68.7 | 0 | 0 | 0 | 110.9 | M101 E102 K108 F109 | M101-L105 PolarHBondContact O-N 3.2Å; E102-L105 PolarHBondContact O-N 2.92Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-F109 WeakPolarHBondContact O-CB 3.36Å; L105-F109 PolarHBondContact O-N 3.11Å |
| 106 | F | 82.8 | Confident | 81.6 | Confident | 119 Ų | 119 | 94.5 Ų | 94.5 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 175.1 | -179.8 | -96 | 0 | 0 | 0 | 111.7 | E102 Q103 H104 K108 F109 E110 | E102-F106 VanDerWaalsContact O-CB 3.23Å; E102-F106 WeakPolarHBondContact O-CB 3.42Å; E102-F106 PolarHBondContact O-N 2.98Å; Q103-F106 WeakPolarHBondContact O-CB 3.28Å; Q103-F106 PolarHBondContact O-N 2.76Å; H104-F106 VanDerWaalsContact C-N 3.32Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.35Å; F106-F109 PolarHBondContact O-N 3.37Å; F106-E110 HydrophobicContact CE1-CB 4.39Å; F106-E110 VanDerWaalsContact O-CB 3.27Å; F106-E110 WeakPolarHBondContact O-CB 3.15Å; F106-E110 PolarHBondContact O-N 2.88Å |
| 107 | W | 86.7 | Confident | 81.8 | Confident | 199 Ų | 199 | 96.7 Ų | 96.7 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -35.9 | 179.2 | -91.9 | 84.2 | 0 | 0 | 0 | 113.2 | Q103 H104 G111 | Q103-W107 VanDerWaalsContact O-CD1 3.31Å; Q103-W107 PolarHBondContact O-N 2.68Å; H104-W107 PolarHBondContact O-N 3.29Å; W107-G111 PolarHBondContact O-N 3.41Å |
| 108 | K | 82.9 | Confident | 82.5 | Confident | 163 Ų | 163 | 93.6 Ų | 93.6 | 71% | 0.709 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69 | -40.7 | 175.9 | -70 | 179.4 | 85.8 | 168.7 | 0 | 111.4 | H104 L105 F106 A112 | H104-K108 VanDerWaalsContact O-CG 3.28Å; H104-K108 WeakPolarHBondContact O-CG 3.42Å; H104-K108 PolarHBondContact O-N 3.5Å; L105-K108 PolarHBondContact O-N 3.07Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.35Å; K108-A112 VanDerWaalsContact O-CB 3.31Å; K108-A112 WeakPolarHBondContact O-CB 3.17Å; K108-A112 PolarHBondContact O-N 3.4Å; K108-A112 VanDerWaalsContact O-N 3.07Å |
| 109 | F | 86.1 | Confident | 83.4 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -53.8 | 175.9 | 175.6 | -97.5 | 0 | 0 | 0 | 111.7 | L105 F106 G111 A112 V113 | L105-F109 WeakPolarHBondContact O-CB 3.36Å; L105-F109 PolarHBondContact O-N 3.11Å; F106-F109 PolarHBondContact O-N 3.37Å; F109-G111 VanDerWaalsContact C-N 3.31Å; F109-G111 PolarHBondContact O-N 2.89Å; F109-A112 WeakPolarHBondContact O-CB 3.18Å; F109-A112 PolarHBondContact O-N 3.39Å; F109-V113 HydrophobicContact CD1-CG2 4.26Å; F109-V113 HydrophobicContact CD2-CG2 4.33Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.6Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.4Å |
| 110 | E | 90.8 | Very high | 84.2 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | -179.8 | -170 | 67.8 | -168.7 | 0 | 0 | 110.5 | F106 A112 V113 V114 | F106-E110 HydrophobicContact CE1-CB 4.39Å; F106-E110 VanDerWaalsContact O-CB 3.27Å; F106-E110 WeakPolarHBondContact O-CB 3.15Å; F106-E110 PolarHBondContact O-N 2.88Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.31Å; E110-V113 PolarHBondContact O-N 3.45Å; E110-V114 WeakPolarHBondContact O-CB 3.03Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.31Å; E110-V114 PolarHBondContact O-N 3.03Å |
| 111 | G | 90.8 | Very high | 85.4 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W107 F109 F115 | W107-G111 PolarHBondContact O-N 3.41Å; F109-G111 VanDerWaalsContact C-N 3.31Å; F109-G111 PolarHBondContact O-N 2.89Å; G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.02Å |
| 112 | A | 89.3 | Confident | 86.5 | Confident | 52 Ų | 52 | 92.2 Ų | 92.2 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K108 F109 E110 F115 V116 | K108-A112 VanDerWaalsContact O-CB 3.31Å; K108-A112 WeakPolarHBondContact O-CB 3.17Å; K108-A112 PolarHBondContact O-N 3.4Å; K108-A112 VanDerWaalsContact O-N 3.07Å; F109-A112 WeakPolarHBondContact O-CB 3.18Å; F109-A112 PolarHBondContact O-N 3.39Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.31Å; A112-F115 PolarHBondContact O-N 3.41Å; A112-V116 WeakPolarHBondContact O-CB 3.42Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.41Å; A112-V116 PolarHBondContact O-N 3.09Å |
| 113 | V | 89.6 | Confident | 87.4 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 111 | F109 E110 F115 V116 A117 | F109-V113 HydrophobicContact CD1-CG2 4.26Å; F109-V113 HydrophobicContact CD2-CG2 4.33Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.6Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.4Å; E110-V113 PolarHBondContact O-N 3.45Å; V113-F115 VanDerWaalsContact C-N 3.35Å; V113-F115 PolarHBondContact O-N 2.92Å; V113-V116 PolarHBondContact O-N 3.21Å; V113-A117 WeakPolarHBondContact O-CB 3Å; V113-A117 PolarHBondContact O-N 3.22Å |
| 114 | V | 93.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | E110 A117 L118 | E110-V114 WeakPolarHBondContact O-CB 3.03Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.31Å; E110-V114 PolarHBondContact O-N 3.03Å; V114-A117 PolarHBondContact O-N 3.08Å; V114-L118 PolarHBondContact O-N 3.1Å |
| 115 | F | 91.3 | Very high | 88.6 | Confident | 128 Ų | 128 | 86.8 Ų | 86.8 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 178.1 | -180 | -104 | 0 | 0 | 0 | 112.2 | G111 A112 V113 L118 I119 | G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.02Å; A112-F115 PolarHBondContact O-N 3.41Å; V113-F115 VanDerWaalsContact C-N 3.35Å; V113-F115 PolarHBondContact O-N 2.92Å; F115-L118 WeakPolarHBondContact O-CB 2.97Å; F115-L118 PolarHBondContact O-N 2.93Å; F115-I119 HydrophobicContact CD1-CD1 3.8Å; F115-I119 HydrophobicContact CE1-CD1 3.32Å; F115-I119 HydrophobicContact CE1-CG1 4.31Å; F115-I119 HydrophobicContact CZ-CD1 3.74Å; F115-I119 HydrophobicContact CZ-CG1 4.39Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 PolarHBondContact O-N 2.97Å; F115-I119 VanDerWaalsContact O-N 3.07Å |
| 116 | V | 89.1 | Confident | 88.9 | Confident | 41 Ų | 41 | 86.9 Ų | 86.9 | 25% | 0.248 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61 | -46 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | T24 A112 V113 L118 I119 F120 | T24-V116 HydrophobicContact CG2-CG1 4.18Å; A112-V116 WeakPolarHBondContact O-CB 3.42Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.41Å; A112-V116 PolarHBondContact O-N 3.09Å; V113-V116 PolarHBondContact O-N 3.21Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.18Å; V116-I119 WeakPolarHBondContact O-CB 3.46Å; V116-I119 PolarHBondContact O-N 3.46Å; V116-F120 HydrophobicContact CG1-CD2 3.68Å; V116-F120 HydrophobicContact CG1-CE2 3.35Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 PolarHBondContact O-N 2.9Å; V116-F120 VanDerWaalsContact O-N 3.09Å |
| 117 | A | 90.4 | Very high | 89.1 | Confident | 55 Ų | 55 | 88.3 Ų | 88.3 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V113 V114 F120 A121 | V113-A117 WeakPolarHBondContact O-CB 3Å; V113-A117 PolarHBondContact O-N 3.22Å; V114-A117 PolarHBondContact O-N 3.08Å; A117-F120 PolarHBondContact O-N 3.49Å; A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.39Å |
| 118 | L | 94.5 | Very high | 88.9 | Confident | 106 Ų | 106 | 84 Ų | 84 | 56% | 0.555 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 176.4 | -176.1 | 65.1 | 0 | 0 | 0 | 112.1 | V114 F115 V116 F120 A121 C122 | V114-L118 PolarHBondContact O-N 3.1Å; F115-L118 WeakPolarHBondContact O-CB 2.97Å; F115-L118 PolarHBondContact O-N 2.93Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.18Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.16Å; L118-A121 PolarHBondContact O-N 3.29Å; L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.21Å; L118-C122 PolarHBondContact O-SG 3.3Å; L118-C122 VanDerWaalsContact O-SG 3.34Å |
| 119 | I | 89.6 | Confident | 89.1 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 34% | 0.344 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.6 | -69.9 | 169.4 | 0 | 0 | 0 | 110.1 | F115 V116 A121 C122 L123 | F115-I119 HydrophobicContact CD1-CD1 3.8Å; F115-I119 HydrophobicContact CE1-CD1 3.32Å; F115-I119 HydrophobicContact CE1-CG1 4.31Å; F115-I119 HydrophobicContact CZ-CD1 3.74Å; F115-I119 HydrophobicContact CZ-CG1 4.39Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 PolarHBondContact O-N 2.97Å; F115-I119 VanDerWaalsContact O-N 3.07Å; V116-I119 WeakPolarHBondContact O-CB 3.46Å; V116-I119 PolarHBondContact O-N 3.46Å; I119-A121 PolarHBondContact O-N 3.04Å; I119-C122 PolarHBondContact O-N 2.91Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 3.44Å |
| 120 | F | 88.2 | Confident | 88.8 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 28% | 0.281 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 178.4 | -76.9 | -71.5 | 0 | 0 | 0 | 112.3 | L20 T24 V116 A117 L118 C122 L123 V124 | L20-F120 HydrophobicContact CB-CE1 3.52Å; L20-F120 HydrophobicContact CB-CZ 3.55Å; L20-F120 HydrophobicContact CD1-CD1 4.12Å; L20-F120 HydrophobicContact CD1-CE1 3.59Å; L20-F120 HydrophobicContact CD1-CZ 4.27Å; L20-F120 HydrophobicContact CD2-CE1 4.33Å; L20-F120 HydrophobicContact CD2-CZ 4.21Å; L20-F120 HydrophobicContact CG-CE1 4.01Å; L20-F120 HydrophobicContact CG-CZ 4.22Å; T24-F120 HydrophobicContact CG2-CE2 4.31Å; T24-F120 HydrophobicContact CG2-CZ 4.46Å; V116-F120 HydrophobicContact CG1-CD2 3.68Å; V116-F120 HydrophobicContact CG1-CE2 3.35Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 PolarHBondContact O-N 2.9Å; V116-F120 VanDerWaalsContact O-N 3.09Å; A117-F120 PolarHBondContact O-N 3.49Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.16Å; F120-C122 PolarHBondContact O-N 2.01Å; F120-L123 PolarHBondContact O-N 3.45Å; F120-V124 WeakPolarHBondContact O-CG2 3.05Å; F120-V124 PolarHBondContact O-N 3.49Å |
| 121 | A | 90.5 | Very high | 88.1 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A117 L118 I119 L123 V124 I125 | A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.39Å; L118-A121 PolarHBondContact O-N 3.29Å; I119-A121 PolarHBondContact O-N 3.04Å; A121-L123 PolarHBondContact O-N 3.41Å; A121-V124 PolarHBondContact O-N 3.12Å; A121-I125 VanDerWaalsContact O-CG1 3.31Å; A121-I125 WeakPolarHBondContact O-CG1 3.08Å; A121-I125 PolarHBondContact O-N 2.03Å |
| 122 | C | 90.1 | Very high | 87.5 | Confident | 62 Ų | 62 | 87.4 Ų | 87.4 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 176 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | L118 I119 F120 V124 I125 I126 | L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.21Å; L118-C122 PolarHBondContact O-SG 3.3Å; L118-C122 VanDerWaalsContact O-SG 3.34Å; I119-C122 PolarHBondContact O-N 2.91Å; F120-C122 PolarHBondContact O-N 2.01Å; C122-V124 VanDerWaalsContact C-N 3.34Å; C122-V124 PolarHBondContact O-N 3.14Å; C122-I125 PolarHBondContact O-N 3.12Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.5Å; C122-I126 PolarHBondContact O-N 2.91Å |
| 123 | L | 88.2 | Confident | 87 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.9 | -71 | 174 | 0 | 0 | 0 | 112.1 | L16 L20 I119 F120 A121 I126 R127 | L16-L123 HydrophobicContact CD2-CD1 4.28Å; L16-L123 HydrophobicContact CD2-CD2 4.29Å; L20-L123 HydrophobicContact CD1-CD1 3.68Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 3.44Å; F120-L123 PolarHBondContact O-N 3.45Å; A121-L123 PolarHBondContact O-N 3.41Å; L123-I126 PolarHBondContact O-N 2.78Å; L123-R127 WeakPolarHBondContact O-CB 3.41Å; L123-R127 PolarHBondContact O-N 3.06Å |
| 124 | V | 88.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 96 Ų | 96 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | F120 A121 C122 I126 R127 Q128 | F120-V124 WeakPolarHBondContact O-CG2 3.05Å; F120-V124 PolarHBondContact O-N 3.49Å; A121-V124 PolarHBondContact O-N 3.12Å; C122-V124 VanDerWaalsContact C-N 3.34Å; C122-V124 PolarHBondContact O-N 3.14Å; V124-I126 PolarHBondContact O-N 3.24Å; V124-R127 PolarHBondContact O-N 3Å; V124-Q128 HydrophobicContact CG1-CG 4.39Å; V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 3.23Å |
| 125 | I | 89.4 | Confident | 85.6 | Confident | 74 Ų | 74 | 94.4 Ų | 94.4 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 178.5 | -68.5 | 165.8 | 0 | 0 | 0 | 111.1 | A121 C122 R127 Q128 R129 | A121-I125 VanDerWaalsContact O-CG1 3.31Å; A121-I125 WeakPolarHBondContact O-CG1 3.08Å; A121-I125 PolarHBondContact O-N 2.03Å; C122-I125 PolarHBondContact O-N 3.12Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.41Å; I125-Q128 PolarHBondContact O-N 3.03Å; I125-R129 HydrophobicContact CG2-CG 4.35Å; I125-R129 WeakPolarHBondContact O-CB 3.21Å; I125-R129 VanDerWaalsContact O-CG 3.32Å; I125-R129 WeakPolarHBondContact O-CG 3.4Å; I125-R129 PolarHBondContact O-N 2.84Å |
| 126 | I | 84.1 | Confident | 84.3 | Confident | 96 Ų | 96 | 93.8 Ų | 93.8 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.2 | -69.5 | 164.9 | 0 | 0 | 0 | 110.1 | C122 L123 V124 R129 Q130 | C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.5Å; C122-I126 PolarHBondContact O-N 2.91Å; L123-I126 PolarHBondContact O-N 2.78Å; V124-I126 PolarHBondContact O-N 3.24Å; I126-R129 PolarHBondContact O-N 3.5Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 3.47Å |
| 127 | R | 86.8 | Confident | 83.7 | Confident | 150 Ų | 150 | 97.9 Ų | 97.9 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 179 | -173.9 | 176.4 | 175.6 | 142.6 | -1.6 | 112.3 | L123 V124 I125 Q130 L131 | L123-R127 WeakPolarHBondContact O-CB 3.41Å; L123-R127 PolarHBondContact O-N 3.06Å; V124-R127 PolarHBondContact O-N 3Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.41Å; R127-Q130 PolarHBondContact O-N 3.1Å; R127-L131 PolarHBondContact O-N 2.02Å |
| 128 | Q | 84.5 | Confident | 82.9 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.1 | -75 | 170.2 | -4.2 | 0 | 0 | 110.8 | V124 I125 Q130 L131 D132 | V124-Q128 HydrophobicContact CG1-CG 4.39Å; V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 3.23Å; I125-Q128 PolarHBondContact O-N 3.03Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.36Å; Q128-L131 WeakPolarHBondContact O-CA 3.46Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.2Å; Q128-D132 PolarHBondContact O-N 2.87Å |
| 129 | R | 85.9 | Confident | 81.8 | Confident | 165 Ų | 165 | 101.2 Ų | 101.2 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -35.5 | 175.8 | -73.4 | 178.5 | 178.1 | -177 | 1.1 | 113.1 | I125 I126 L131 R133 | I125-R129 HydrophobicContact CG2-CG 4.35Å; I125-R129 WeakPolarHBondContact O-CB 3.21Å; I125-R129 VanDerWaalsContact O-CG 3.32Å; I125-R129 WeakPolarHBondContact O-CG 3.4Å; I125-R129 PolarHBondContact O-N 2.84Å; I126-R129 PolarHBondContact O-N 3.5Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-R133 WeakPolarHBondContact O-CG 3.27Å; R129-R133 PolarHBondContact O-N 3.14Å |
| 130 | Q | 79 | Confident | 80.8 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 174.2 | -72.7 | -141.3 | -2.5 | 0 | 0 | 112.8 | I126 R127 Q128 K134 | I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 3.47Å; R127-Q130 PolarHBondContact O-N 3.1Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.36Å; Q130-K134 VanDerWaalsContact O-CG 3.29Å; Q130-K134 WeakPolarHBondContact O-CG 3.08Å; Q130-K134 PolarHBondContact O-N 3.04Å |
| 131 | L | 77.8 | Confident | 80 | Confident | 105 Ų | 105 | 111 Ų | 111 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 175.7 | -69.4 | 169.3 | 0 | 0 | 0 | 110.9 | R127 Q128 R129 K134 A135 | R127-L131 PolarHBondContact O-N 2.02Å; Q128-L131 WeakPolarHBondContact O-CA 3.46Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.2Å; R129-L131 VanDerWaalsContact C-N 3.34Å; L131-K134 PolarHBondContact O-N 3.4Å; L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.03Å |
| 132 | D | 77.3 | Confident | 78.8 | Confident | 108 Ų | 108 | 115.1 Ų | 115.1 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 177.9 | -70.8 | -19.2 | 0 | 0 | 0 | 112.2 | Q128 K134 A135 L136 | Q128-D132 PolarHBondContact O-N 2.87Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 3.44Å; D132-A135 PolarHBondContact O-N 3.3Å; D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 PolarHBondContact O-N 3.07Å |
| 133 | R | 79.2 | Confident | 78.1 | Confident | 187 Ų | 187 | 117.9 Ų | 117.9 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.6 | -42.6 | 174.6 | -74.5 | -171.5 | -177.1 | -139.7 | 2.1 | 111.9 | R129 L136 E137 | R129-R133 WeakPolarHBondContact O-CG 3.27Å; R129-R133 PolarHBondContact O-N 3.14Å; R133-L136 PolarHBondContact O-N 3.08Å; R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.16Å |
| 134 | K | 77.9 | Confident | 77 | Confident | 115 Ų | 115 | 122.8 Ų | 122.8 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.4 | -33.6 | 177.7 | -72.5 | 173.4 | -175.7 | 172.1 | 0 | 112.6 | Q130 L131 D132 K138 | Q130-K134 VanDerWaalsContact O-CG 3.29Å; Q130-K134 WeakPolarHBondContact O-CG 3.08Å; Q130-K134 PolarHBondContact O-N 3.04Å; L131-K134 PolarHBondContact O-N 3.4Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 3.44Å; K134-K138 WeakPolarHBondContact O-CG 3.34Å; K134-K138 PolarHBondContact O-N 2.91Å |
| 135 | A | 74.4 | Confident | 75.7 | Confident | 53 Ų | 53 | 123.8 Ų | 123.8 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.3 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L131 D132 E137 K138 V139 | L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.03Å; D132-A135 PolarHBondContact O-N 3.3Å; A135-E137 PolarHBondContact O-N 3.05Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 2.76Å; A135-K138 VanDerWaalsContact O-N 3.14Å; A135-V139 PolarHBondContact O-N 2.87Å; A135-V139 VanDerWaalsContact O-N 3.13Å |
| 136 | L | 64.8 | Low | 74 | Confident | 116 Ų | 116 | 129.9 Ų | 129.9 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -36.6 | -179.1 | -155.7 | 146.2 | 0 | 0 | 0 | 112 | D132 R133 K138 V139 R140 | D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 PolarHBondContact O-N 3.07Å; R133-L136 PolarHBondContact O-N 3.08Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.76Å; L136-V139 PolarHBondContact O-N 2.85Å; L136-R140 PolarHBondContact O-N 3.18Å |
| 137 | E | 76 | Confident | 73.5 | Confident | 126 Ų | 126 | 131.6 Ų | 131.6 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.8 | -35.9 | 170.8 | -79 | 176 | -171.6 | 0 | 0 | 113 | R133 A135 K141 | R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.16Å; A135-E137 PolarHBondContact O-N 3.05Å; E137-K141 PolarHBondContact O-N 2.81Å |
| 138 | K | 73.6 | Confident | 72.8 | Confident | 152 Ų | 152 | 130.6 Ų | 130.6 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.2 | -42 | 175.6 | -73.8 | 175.7 | -179.1 | -175.6 | 0 | 111.6 | K134 A135 L136 Q142 | K134-K138 WeakPolarHBondContact O-CG 3.34Å; K134-K138 PolarHBondContact O-N 2.91Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 2.76Å; A135-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.76Å; K138-Q142 PolarHBondContact O-N 2.92Å |
| 139 | V | 70.9 | Confident | 72.2 | Confident | 80 Ų | 80 | 131.8 Ų | 131.8 | 49% | 0.485 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.8 | -44.3 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | A135 L136 K141 Q142 I143 | A135-V139 PolarHBondContact O-N 2.87Å; A135-V139 VanDerWaalsContact O-N 3.13Å; L136-V139 PolarHBondContact O-N 2.85Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; V139-Q142 WeakPolarHBondContact O-CB 3.38Å; V139-Q142 PolarHBondContact O-N 2.88Å; V139-I143 HydrophobicContact CG1-CD1 4.2Å; V139-I143 PolarHBondContact O-N 3.34Å |
| 140 | R | 69.6 | Low | 71.3 | Confident | 178 Ų | 178 | 129.9 Ų | 129.9 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.3 | -41.4 | 179.5 | -127.2 | -176.8 | -179.5 | 175.1 | -0.1 | 112.7 | L136 Q142 I143 E144 | L136-R140 PolarHBondContact O-N 3.18Å; R140-Q142 VanDerWaalsContact C-N 3.25Å; R140-Q142 PolarHBondContact O-N 3.07Å; R140-I143 PolarHBondContact O-N 2.98Å; R140-I143 VanDerWaalsContact O-N 3.11Å; R140-E144 PolarHBondContact O-N 2.75Å; R140-E144 VanDerWaalsContact O-N 3.15Å |
| 141 | K | 72.4 | Confident | 70.9 | Confident | 157 Ų | 157 | 131 Ų | 131 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.6 | -26.2 | 175.4 | -78.8 | -173.5 | 175.6 | -173.9 | 0 | 114 | E137 V139 S145 | E137-K141 PolarHBondContact O-N 2.81Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; K141-S145 PolarHBondContact O-OG 3.1Å |
| 142 | Q | 65.2 | Low | 70.4 | Confident | 133 Ų | 133 | 132.7 Ų | 132.7 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.9 | -27.5 | 173.3 | -70.9 | -173.2 | -64.3 | 0 | 0 | 112.6 | K138 V139 R140 S145 I146 | K138-Q142 PolarHBondContact O-N 2.92Å; V139-Q142 WeakPolarHBondContact O-CB 3.38Å; V139-Q142 PolarHBondContact O-N 2.88Å; R140-Q142 VanDerWaalsContact C-N 3.25Å; R140-Q142 PolarHBondContact O-N 3.07Å; Q142-S145 PolarHBondContact O-OG 2.92Å; Q142-I146 WeakPolarHBondContact O-CD1 3.42Å; Q142-I146 WeakPolarHBondContact O-CG1 3.46Å |
| 143 | I | 73.7 | Confident | 69.9 | Low | 120 Ų | 120 | 134.5 Ų | 134.5 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81 | -32.2 | 179.5 | -58 | 166.9 | 0 | 0 | 0 | 110.9 | V139 R140 S145 | V139-I143 HydrophobicContact CG1-CD1 4.2Å; V139-I143 PolarHBondContact O-N 3.34Å; R140-I143 PolarHBondContact O-N 2.98Å; R140-I143 VanDerWaalsContact O-N 3.11Å; I143-S145 VanDerWaalsContact C-N 3.33Å |
| 144 | E | 65.4 | Low | 69.2 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -12.4 | -178.5 | -156.9 | 167.3 | -152.5 | 0 | 0 | 113.3 | R140 | R140-E144 PolarHBondContact O-N 2.75Å; R140-E144 VanDerWaalsContact O-N 3.15Å |
| 145 | S | 61.3 | Low | 68.5 | Low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 8.9 | 177.4 | 73.8 | 0 | 0 | 0 | 0 | 114.2 | K141 Q142 I143 | K141-S145 PolarHBondContact O-OG 3.1Å; Q142-S145 PolarHBondContact O-OG 2.92Å; I143-S145 VanDerWaalsContact C-N 3.33Å |
| 146 | I | 54.4 | Low | 67.9 | Low | 202 Ų | 202 | 138.9 Ų | 138.9 | 100% | 1.036 | 68% | 0.675 | S | S | * | * | trans | -100 | 0 | 176.1 | -69.3 | 170.4 | 0 | 0 | 0 | 109.1 | Q142 | Q142-I146 WeakPolarHBondContact O-CD1 3.42Å; Q142-I146 WeakPolarHBondContact O-CG1 3.46Å |
Retrieved 146 of 146 residues in 547.3 ms
(Link to these results)