| 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 | 38.7 | Very low | 54.8 | Low | 235 Ų | 235 | 146.1 Ų | 146.1 | 100% | 1.158 | 84% | 0.844 | S | S | * | * | 0 | 104.2 | 0 | -83.8 | 170.7 | 157.2 | 0 | 0 | 106.5 | T3 | M1-T3 PolarHBondContact O-N 3.46Å; M1-T3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | E | 47.5 | Very low | 56.3 | Low | 200 Ų | 200 | 143.8 Ų | 143.8 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 101.7 | 177.7 | -60.3 | 170.4 | 135.8 | 0 | 0 | 106.7 | G4 | E2-G4 PolarHBondContact O-N 3.42Š| ||
| 3 | T | 50.5 | Low | 57.7 | Low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -76.6 | 85.2 | 169.5 | 47 | 0 | 0 | 0 | 0 | 107 | M1 C5 | M1-T3 PolarHBondContact O-N 3.46Å; M1-T3 VanDerWaalsContact O-N 3.17Å; T3-C5 PolarHBondContact O-N 3.09Å | ||
| 4 | G | 54.1 | Low | 58.6 | Low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -56.7 | 88.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E2 W6 | E2-G4 PolarHBondContact O-N 3.42Å; G4-W6 PolarHBondContact O-N 3.35Å | ||
| 5 | C | 53 | Low | 59.4 | Low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -82 | 115.6 | 176.9 | -166.7 | 0 | 0 | 0 | 0 | 106.8 | T3 V7 | T3-C5 PolarHBondContact O-N 3.09Å; C5-V7 PolarHBondContact O-N 3.17Å | ||
| 6 | W | 52.7 | Low | 60 | Low | 224 Ų | 224 | 132.8 Ų | 132.8 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -54 | 103 | 173.4 | -59.1 | 89.6 | 0 | 0 | 0 | 109.5 | G4 L8 | G4-W6 PolarHBondContact O-N 3.35Å; W6-L8 PolarHBondContact O-N 3.34Å | ||
| 7 | V | 56.1 | Low | 60.6 | Low | 143 Ų | 143 | 133.9 Ų | 133.9 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -79 | 68 | 168.6 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | C5 | C5-V7 PolarHBondContact O-N 3.17Š| ||
| 8 | L | 58.1 | Low | 61.2 | Low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -137.9 | 76.2 | 168.6 | -87.8 | 168.2 | 0 | 0 | 0 | 107.1 | W6 | W6-L8 PolarHBondContact O-N 3.34Š| ||
| 9 | G | 57.9 | Low | 61.4 | Low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 172.6 | 62.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E11 | G9-E11 PolarHBondContact O-N 2.93Š| ||
| 10 | G | 62.6 | Low | 61.7 | Low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | trans | -64.6 | 119.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F12 | G10-F12 PolarHBondContact O-N 3.24Š| ||
| 11 | E | 71.6 | Confident | 62 | Low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 112.8 | 166.7 | -64.5 | -179.7 | 119.2 | 0 | 0 | 106.4 | G9 E13 | G9-E11 PolarHBondContact O-N 2.93Å; E11-E13 PolarHBondContact O-N 3.01Å | ||
| 12 | F | 72.4 | Confident | 63.6 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 52% | 0.522 | 72% | 0.718 | S | S | . | * | trans | -70.7 | 120.4 | 174.8 | -178.2 | -96.4 | 0 | 0 | 0 | 107 | G10 D14 V16 F17 | G10-F12 PolarHBondContact O-N 3.24Å; F12-D14 PolarHBondContact O-N 3.49Å; F12-D14 VanDerWaalsContact O-N 3.15Å; F12-V16 HydrophobicContact CE1-CB 3.6Å; F12-V16 HydrophobicContact CE1-CG1 4.15Å; F12-V16 HydrophobicContact CE1-CG2 3.96Å; F12-V16 HydrophobicContact CE2-CB 4.45Å; F12-V16 HydrophobicContact CE2-CG2 4.14Å; F12-V16 HydrophobicContact CZ-CB 3.45Å; F12-V16 VanDerWaalsContact CZ-CB 3.45Å; F12-V16 HydrophobicContact CZ-CG1 3.6Å; F12-V16 HydrophobicContact CZ-CG2 3.59Å; F12-F17 HydrophobicContact CD1-CD2 4.19Å; F12-F17 AromaticContact CD1-CE2 3.54Å; F12-F17 HydrophobicContact CD1-CE2 3.54Å; F12-F17 HydrophobicContact CD1-CZ 4.31Å; F12-F17 AromaticContact CE1-CD2 3.71Å; F12-F17 HydrophobicContact CE1-CD2 3.71Å; F12-F17 AromaticContact CE1-CE2 3.18Å; F12-F17 HydrophobicContact CE1-CE2 3.18Å; F12-F17 AromaticContact CE1-CZ 3.72Å; F12-F17 HydrophobicContact CE1-CZ 3.72Å; F12-F17 HydrophobicContact CZ-CE2 4.28Å; F12-F17 HydrophobicContact CZ-CZ 4.46Å | ||
| 13 | E | 74.9 | Confident | 64.5 | Low | 138 Ų | 138 | 133 Ų | 133 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | trans | -60.2 | 119 | 177.9 | -88.4 | -175.1 | 68.6 | 0 | 0 | 110.3 | E11 S15 V16 | E11-E13 PolarHBondContact O-N 3.01Å; E13-S15 PolarHBondContact O-N 3.14Å; E13-S15 PolarHBondContact OE1-OG 3.03Å; E13-V16 PolarHBondContact O-N 3.04Å; E13-V16 VanDerWaalsContact O-N 3.1Å | ||
| 14 | D | 70 | Confident | 65.4 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -19.8 | 174.3 | -75.2 | -25.9 | 0 | 0 | 0 | 112.4 | F12 V16 F17 E18 | F12-D14 PolarHBondContact O-N 3.49Å; F12-D14 VanDerWaalsContact O-N 3.15Å; D14-V16 PolarHBondContact O-N 3.49Å; D14-F17 PolarHBondContact O-N 3.43Å; D14-E18 PolarHBondContact O-N 3.12Å |
| 15 | S | 71.1 | Confident | 66.4 | Low | 58 Ų | 58 | 139.5 Ų | 139.5 | 41% | 0.406 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -48.4 | -26.6 | 170.9 | -51.5 | 0 | 0 | 0 | 0 | 114.5 | E13 Q19 | E13-S15 PolarHBondContact O-N 3.14Å; E13-S15 PolarHBondContact OE1-OG 3.03Å; S15-Q19 PolarHBondContact O-NE2 3.49Å |
| 16 | V | 69.4 | Low | 67.6 | Low | 85 Ų | 85 | 141.1 Ų | 141.1 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -74.1 | -29.3 | 177.4 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | F12 E13 D14 | F12-V16 HydrophobicContact CE1-CB 3.6Å; F12-V16 HydrophobicContact CE1-CG1 4.15Å; F12-V16 HydrophobicContact CE1-CG2 3.96Å; F12-V16 HydrophobicContact CE2-CB 4.45Å; F12-V16 HydrophobicContact CE2-CG2 4.14Å; F12-V16 HydrophobicContact CZ-CB 3.45Å; F12-V16 VanDerWaalsContact CZ-CB 3.45Å; F12-V16 HydrophobicContact CZ-CG1 3.6Å; F12-V16 HydrophobicContact CZ-CG2 3.59Å; E13-V16 PolarHBondContact O-N 3.04Å; E13-V16 VanDerWaalsContact O-N 3.1Å; D14-V16 PolarHBondContact O-N 3.49Å |
| 17 | F | 69.3 | Low | 68.9 | Low | 152 Ų | 152 | 135.9 Ų | 135.9 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -87.2 | -27.4 | 177.5 | -64 | -71.1 | 0 | 0 | 0 | 112.7 | F12 D14 Q19 | F12-F17 HydrophobicContact CD1-CD2 4.19Å; F12-F17 AromaticContact CD1-CE2 3.54Å; F12-F17 HydrophobicContact CD1-CE2 3.54Å; F12-F17 HydrophobicContact CD1-CZ 4.31Å; F12-F17 AromaticContact CE1-CD2 3.71Å; F12-F17 HydrophobicContact CE1-CD2 3.71Å; F12-F17 AromaticContact CE1-CE2 3.18Å; F12-F17 HydrophobicContact CE1-CE2 3.18Å; F12-F17 AromaticContact CE1-CZ 3.72Å; F12-F17 HydrophobicContact CE1-CZ 3.72Å; F12-F17 HydrophobicContact CZ-CE2 4.28Å; F12-F17 HydrophobicContact CZ-CZ 4.46Å; D14-F17 PolarHBondContact O-N 3.43Å; F17-Q19 VanDerWaalsContact C-N 3.31Å; F17-Q19 PolarHBondContact O-N 3.38Å |
| 18 | E | 71.9 | Confident | 70 | Confident | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.2 | -21.4 | -178.7 | -67 | -58.9 | 154.1 | 0 | 0 | 113.6 | D14 R20 | D14-E18 PolarHBondContact O-N 3.12Å; E18-R20 PolarHBondContact O-N 3.49Å |
| 19 | Q | 65.4 | Low | 71.2 | Confident | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | trans | -74 | 79.4 | 173.1 | -74.7 | 166.6 | 83.6 | 0 | 0 | 109.7 | S15 F17 P21 | S15-Q19 PolarHBondContact O-NE2 3.49Å; F17-Q19 VanDerWaalsContact C-N 3.31Å; F17-Q19 PolarHBondContact O-N 3.38Å; Q19-P21 WeakPolarHBondContact O-CD 3.38Å | ||
| 20 | R | 67.6 | Low | 72.5 | Confident | 177 Ų | 177 | 134.2 Ų | 134.2 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | -55.2 | 114.1 | 168 | -179.9 | 174.8 | 176.1 | 169.6 | -3.8 | 107.7 | E18 E22 | E18-R20 PolarHBondContact O-N 3.49Å; R20-E22 PolarHBondContact O-N 3.22Å; R20-E22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | P | 67.9 | Low | 73.5 | Confident | 106 Ų | 106 | 140.5 Ų | 140.5 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | trans | -57.5 | 126.7 | 175.2 | -21.7 | 33.2 | 0 | 0 | 0 | 108.1 | Q19 R23 | Q19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-R23 PolarHBondContact O-N 2.94Å | ||
| 22 | E | 70.7 | Confident | 74 | Confident | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -50.2 | 114 | 172 | -171.3 | 69.4 | -149.7 | 0 | 0 | 107 | R20 R24 | R20-E22 PolarHBondContact O-N 3.22Å; R20-E22 VanDerWaalsContact O-N 3.14Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-R24 PolarHBondContact O-N 3.09Å | ||
| 23 | R | 68 | Low | 74.3 | Confident | 195 Ų | 195 | 139.1 Ų | 139.1 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | trans | -71.3 | 96.8 | -178.1 | -70.4 | -157.4 | -169.1 | 137.8 | -0.1 | 107.1 | P21 | P21-R23 PolarHBondContact O-N 2.94Š| ||
| 24 | R | 68.1 | Low | 74.4 | Confident | 197 Ų | 197 | 142.2 Ų | 142.2 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -52.2 | 130.9 | 164.8 | -65 | -169.9 | 179.3 | -173.7 | 1.2 | 107.2 | E22 E26 | E22-R24 VanDerWaalsContact C-N 3.32Å; E22-R24 PolarHBondContact O-N 3.09Å; R24-E26 PolarHBondContact O-N 3.06Å | ||
| 25 | P | 75.9 | Confident | 74.7 | Confident | 134 Ų | 134 | 144.2 Ų | 144.2 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -69.7 | 1.9 | 176.7 | 27.7 | -33.5 | 0 | 0 | 0 | 112.6 | ||
| 26 | E | 77.9 | Confident | 74.9 | Confident | 139 Ų | 139 | 146 Ų | 146 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -72.7 | 131.1 | 177.6 | -61.9 | -168.6 | 150.8 | 0 | 0 | 110.2 | R24 | R24-E26 PolarHBondContact O-N 3.06Š|
| 27 | P | 80.5 | Confident | 75.9 | Confident | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.3 | 170.2 | 23.7 | -30.6 | 0 | 0 | 0 | 108.8 | S29 | P27-S29 PolarHBondContact O-N 2.6Š|
| 28 | P | 79.3 | Confident | 76.9 | Confident | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.2 | 173.5 | 24.5 | -32.7 | 0 | 0 | 0 | 108.5 | P30 | P28-P30 VanDerWaalsContact O-N 3.14Š|
| 29 | S | 82.9 | Confident | 77.9 | Confident | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 127.3 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | P27 Y31 | P27-S29 PolarHBondContact O-N 2.6Å; S29-Y31 PolarHBondContact O-N 2.66Å; S29-Y31 VanDerWaalsContact O-N 3.12Å |
| 30 | P | 86 | Confident | 79.2 | Confident | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125.9 | -179.1 | 21.8 | -30.9 | 0 | 0 | 0 | 108.2 | P28 R32 | P28-P30 VanDerWaalsContact O-N 3.14Å; P30-R32 PolarHBondContact O-N 2.93Å |
| 31 | Y | 83.7 | Confident | 80.5 | Confident | 211 Ų | 211 | 131.4 Ų | 131.4 | 83% | 0.827 | 67% | 0.667 | S | S | * | * | trans | -60 | 107.5 | 175.5 | 174.3 | -109 | 0 | 0 | 0 | 108.5 | S29 A33 | S29-Y31 PolarHBondContact O-N 2.66Å; S29-Y31 VanDerWaalsContact O-N 3.12Å; Y31-A33 HydrophobicContact CD1-CB 4.32Å; Y31-A33 HydrophobicContact CE1-CB 3.63Å; Y31-A33 PolarHBondContact O-N 3.05Å | ||
| 32 | R | 81.3 | Confident | 81.7 | Confident | 232 Ų | 232 | 127.4 Ų | 127.4 | 88% | 0.875 | 64% | 0.64 | S | S | * | * | trans | -93.7 | 89.4 | 174.4 | -167.2 | 172.6 | -177 | 164 | 0.2 | 107.8 | P30 K34 | P30-R32 PolarHBondContact O-N 2.93Å; R32-K34 PolarHBondContact O-N 3.49Å | ||
| 33 | A | 78.8 | Confident | 82.9 | Confident | 54 Ų | 54 | 125.7 Ų | 125.7 | 45% | 0.446 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 129.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y31 L35 | Y31-A33 HydrophobicContact CD1-CB 4.32Å; Y31-A33 HydrophobicContact CE1-CB 3.63Å; Y31-A33 PolarHBondContact O-N 3.05Å; A33-L35 PolarHBondContact O-N 3.39Å |
| 34 | K | 77.6 | Confident | 84.1 | Confident | 202 Ų | 202 | 122.1 Ų | 122.1 | 88% | 0.878 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.7 | 170.9 | -72.5 | -165.1 | -68.8 | -176.3 | 0 | 107.2 | R32 C36 | R32-K34 PolarHBondContact O-N 3.49Å; K34-C36 PolarHBondContact O-N 3.04Å |
| 35 | L | 75.9 | Confident | 85.4 | Confident | 160 Ų | 160 | 116.5 Ų | 116.5 | 84% | 0.838 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 128.3 | 171.9 | -129.8 | 94.8 | 0 | 0 | 0 | 107.2 | A33 E37 | A33-L35 PolarHBondContact O-N 3.39Å; L35-E37 PolarHBondContact O-N 3.12Å |
| 36 | C | 75.8 | Confident | 86.2 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130 | 171.5 | -170 | 0 | 0 | 0 | 0 | 107.8 | K34 P38 | K34-C36 PolarHBondContact O-N 3.04Å; C36-P38 WeakPolarHBondContact O-CD 3.43Å |
| 37 | E | 90.3 | Very high | 87 | Confident | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | trans | -97.2 | 94.6 | 173.1 | -68.3 | -176.8 | -119.4 | 0 | 0 | 107.6 | L35 Q39 K40 A41 | L35-E37 PolarHBondContact O-N 3.12Å; E37-Q39 PolarHBondContact O-N 3.05Å; E37-Q39 VanDerWaalsContact O-N 3.1Å; E37-K40 HydrophobicContact CB-CB 4.12Å; E37-K40 HydrophobicContact CB-CD 4.03Å; E37-K40 HydrophobicContact CB-CG 4.1Å; E37-K40 HydrophobicContact CG-CD 4.45Å; E37-K40 PolarHBondContact O-N 3.26Å; E37-K40 IonicContact OE1-NZ 2.77Å; E37-K40 PolarHBondContact OE1-NZ 3.45Å; E37-K40 VanDerWaalsContact OE2-CD 3.27Å; E37-K40 WeakPolarHBondContact OE2-CD 3.47Å; E37-K40 WeakPolarHBondContact OE2-CE 3.49Å; E37-K40 IonicContact OE2-NZ 2.75Å; E37-K40 PolarHBondContact OE2-NZ 3.43Å; E37-A41 PolarHBondContact O-N 3.2Å | ||
| 38 | P | 89.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 105.4 Ų | 105.4 | 21% | 0.208 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -60.6 | -27 | -169.9 | 20.3 | -32 | 0 | 0 | 0 | 113.3 | C36 L42 C70 H73 L74 | C36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-L42 VanDerWaalsContact O-CB 3.26Å; P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 PolarHBondContact O-N 3.25Å; P38-C70 HydrophobicContact CB-CB 4.35Å; P38-H73 HydrophobicContact CB-CB 4.28Å; P38-H73 HydrophobicContact CG-CB 4.48Å; P38-L74 HydrophobicContact CB-CD1 4.4Å; P38-L74 HydrophobicContact CB-CD2 4.19Å; P38-L74 HydrophobicContact CB-CG 4.03Å; P38-L74 HydrophobicContact CG-CD2 3.76Å; P38-L74 HydrophobicContact CG-CG 4.12Å |
| 39 | Q | 92.5 | Very high | 88.1 | Confident | 137 Ų | 137 | 102.5 Ų | 102.5 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 172.2 | -77.7 | 152.2 | -11.4 | 0 | 0 | 112.7 | E37 L42 Q43 L74 | E37-Q39 PolarHBondContact O-N 3.05Å; E37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-L42 PolarHBondContact O-N 3.14Å; Q39-Q43 PolarHBondContact O-N 3.49Å; Q39-Q43 VanDerWaalsContact O-N 3.12Å; Q39-L74 HydrophobicContact CG-CD1 4.01Å; Q39-L74 HydrophobicContact CG-CD2 3.8Å |
| 40 | K | 93.3 | Very high | 88.5 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.9 | -68.9 | -177 | 179.3 | 160.2 | 0 | 110.4 | E37 L42 Q43 E44 | E37-K40 HydrophobicContact CB-CB 4.12Å; E37-K40 HydrophobicContact CB-CD 4.03Å; E37-K40 HydrophobicContact CB-CG 4.1Å; E37-K40 HydrophobicContact CG-CD 4.45Å; E37-K40 PolarHBondContact O-N 3.26Å; E37-K40 IonicContact OE1-NZ 2.77Å; E37-K40 PolarHBondContact OE1-NZ 3.45Å; E37-K40 VanDerWaalsContact OE2-CD 3.27Å; E37-K40 WeakPolarHBondContact OE2-CD 3.47Å; E37-K40 WeakPolarHBondContact OE2-CE 3.49Å; E37-K40 IonicContact OE2-NZ 2.75Å; E37-K40 PolarHBondContact OE2-NZ 3.43Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 2.95Å; K40-Q43 PolarHBondContact O-N 3.12Å; K40-E44 WeakPolarHBondContact O-CG 3.34Å; K40-E44 PolarHBondContact O-N 2.63Å |
| 41 | A | 93.7 | Very high | 88.7 | Confident | 22 Ų | 22 | 106.9 Ų | 106.9 | 18% | 0.182 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E37 Q43 E44 Y45 | E37-A41 PolarHBondContact O-N 3.2Å; A41-Q43 VanDerWaalsContact C-N 3.33Å; A41-Q43 PolarHBondContact O-N 3.07Å; A41-E44 PolarHBondContact O-N 2.83Å; A41-Y45 HydrophobicContact CB-CE2 4.23Å; A41-Y45 WeakPolarHBondContact O-CD2 3.34Å; A41-Y45 PolarHBondContact O-N 3.46Å |
| 42 | L | 94.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 98.4 Ų | 98.4 | 12% | 0.115 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 176.7 | -173.8 | 65.5 | 0 | 0 | 0 | 112.2 | P38 Q39 K40 Y45 S46 Q67 C70 L71 L74 | P38-L42 VanDerWaalsContact O-CB 3.26Å; P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 PolarHBondContact O-N 3.25Å; Q39-L42 PolarHBondContact O-N 3.14Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 2.95Å; L42-Y45 PolarHBondContact O-N 3.38Å; L42-S46 PolarHBondContact O-N 2.88Å; L42-S46 PolarHBondContact O-OG 3.41Å; L42-Q67 HydrophobicContact CD1-CB 3.86Å; L42-Q67 HydrophobicContact CD1-CG 4Å; L42-C70 HydrophobicContact CB-CB 4.15Å; L42-C70 HydrophobicContact CD1-CB 4.3Å; L42-L71 HydrophobicContact CD1-CD2 4.34Å; L42-L71 HydrophobicContact CD1-CG 4.07Å; L42-L71 HydrophobicContact CD2-CD2 3.71Å; L42-L71 HydrophobicContact CD2-CG 4.28Å; L42-L74 HydrophobicContact CD2-CD1 4.29Å |
| 43 | Q | 94.6 | Very high | 89.2 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -176.9 | 172.6 | 8.3 | 0 | 0 | 112.3 | Q39 K40 A41 S46 S47 | Q39-Q43 PolarHBondContact O-N 3.49Å; Q39-Q43 VanDerWaalsContact O-N 3.12Å; K40-Q43 PolarHBondContact O-N 3.12Å; A41-Q43 VanDerWaalsContact C-N 3.33Å; A41-Q43 PolarHBondContact O-N 3.07Å; Q43-S46 PolarHBondContact O-N 3.48Å; Q43-S47 PolarHBondContact O-N 2.91Å; Q43-S47 VanDerWaalsContact O-N 3.08Å |
| 44 | E | 94.9 | Very high | 89.4 | Confident | 120 Ų | 120 | 93.3 Ų | 93.3 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 176.2 | -65.6 | -64.5 | 165.1 | 0 | 0 | 111.4 | K40 A41 S46 S47 I48 | K40-E44 WeakPolarHBondContact O-CG 3.34Å; K40-E44 PolarHBondContact O-N 2.63Å; A41-E44 PolarHBondContact O-N 2.83Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.27Å; E44-S47 WeakPolarHBondContact O-CB 3.42Å; E44-S47 PolarHBondContact O-N 3.3Å; E44-I48 VanDerWaalsContact O-CG1 3.3Å; E44-I48 WeakPolarHBondContact O-CG1 3.48Å; E44-I48 PolarHBondContact O-N 3.02Å |
| 45 | Y | 94.8 | Very high | 90 | Very high | 78 Ų | 78 | 89 Ų | 89 | 31% | 0.306 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.9 | -73.9 | -54.1 | 0 | 0 | 0 | 112.6 | A41 L42 I48 S49 V63 Q67 | A41-Y45 HydrophobicContact CB-CE2 4.23Å; A41-Y45 WeakPolarHBondContact O-CD2 3.34Å; A41-Y45 PolarHBondContact O-N 3.46Å; L42-Y45 PolarHBondContact O-N 3.38Å; Y45-I48 PolarHBondContact O-N 3.11Å; Y45-S49 WeakPolarHBondContact O-CB 3.32Å; Y45-S49 PolarHBondContact O-N 3.2Å; Y45-V63 HydrophobicContact CD1-CB 4.49Å; Y45-V63 HydrophobicContact CD1-CG1 4.1Å; Y45-V63 HydrophobicContact CD1-CG2 4.38Å; Y45-V63 WeakPolarHBondContact O-CG1 3.26Å; Y45-Q67 HydrophobicContact CD2-CG 4.34Å; Y45-Q67 HydrophobicContact CG-CG 4.06Å |
| 46 | S | 93.2 | Very high | 90.6 | Very high | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.8 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | L42 Q43 E44 I48 S49 E50 Q67 | L42-S46 PolarHBondContact O-N 2.88Å; L42-S46 PolarHBondContact O-OG 3.41Å; Q43-S46 PolarHBondContact O-N 3.48Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.27Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.23Å; S46-S49 PolarHBondContact O-N 3.03Å; S46-S49 VanDerWaalsContact O-N 3.16Å; S46-S49 PolarHBondContact O-OG 2.94Å; S46-E50 PolarHBondContact O-N 3.1Å; S46-Q67 PolarHBondContact OG-NE2 2.95Å |
| 47 | S | 94.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 86.9 Ų | 86.9 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | Q43 E44 E50 Q51 | Q43-S47 PolarHBondContact O-N 2.91Å; Q43-S47 VanDerWaalsContact O-N 3.08Å; E44-S47 WeakPolarHBondContact O-CB 3.42Å; E44-S47 PolarHBondContact O-N 3.3Å; S47-E50 PolarHBondContact O-N 2.97Å; S47-Q51 WeakPolarHBondContact O-CG 3.44Å; S47-Q51 PolarHBondContact O-N 3.4Å; S47-Q51 PolarHBondContact OG-NE2 3.2Å |
| 48 | I | 92.5 | Very high | 91.3 | Very high | 66 Ų | 66 | 84.8 Ų | 84.8 | 34% | 0.338 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.5 | -66.1 | 164.4 | 0 | 0 | 0 | 110.2 | E44 Y45 S46 E50 Q51 L52 V63 | E44-I48 VanDerWaalsContact O-CG1 3.3Å; E44-I48 WeakPolarHBondContact O-CG1 3.48Å; E44-I48 PolarHBondContact O-N 3.02Å; Y45-I48 PolarHBondContact O-N 3.11Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.23Å; I48-E50 PolarHBondContact O-N 2.93Å; I48-Q51 PolarHBondContact O-N 2.91Å; I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CD2 4.39Å; I48-L52 HydrophobicContact CG2-CG 3.88Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.33Å; I48-L52 PolarHBondContact O-N 3.02Å; I48-V63 HydrophobicContact CG2-CG2 3.79Å |
| 49 | S | 89.6 | Confident | 91.5 | Very high | 55 Ų | 55 | 87.5 Ų | 87.5 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.3 | -33.7 | -178.5 | 76.1 | 0 | 0 | 0 | 0 | 113.2 | Y45 S46 | Y45-S49 WeakPolarHBondContact O-CB 3.32Å; Y45-S49 PolarHBondContact O-N 3.2Å; S46-S49 PolarHBondContact O-N 3.03Å; S46-S49 VanDerWaalsContact O-N 3.16Å; S46-S49 PolarHBondContact O-OG 2.94Å |
| 50 | E | 90.8 | Very high | 91.4 | Very high | 163 Ų | 163 | 86 Ų | 86 | 76% | 0.762 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.1 | -31.8 | 175.9 | -68.5 | 174 | -172.7 | 0 | 0 | 112.8 | S46 S47 I48 | S46-E50 PolarHBondContact O-N 3.1Å; S47-E50 PolarHBondContact O-N 2.97Å; I48-E50 PolarHBondContact O-N 2.93Å |
| 51 | Q | 91.6 | Very high | 91.5 | Very high | 151 Ų | 151 | 86.9 Ų | 86.9 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -87.2 | -14.8 | -179.4 | -66 | 176.8 | 36 | 0 | 0 | 113 | S47 I48 | S47-Q51 WeakPolarHBondContact O-CG 3.44Å; S47-Q51 PolarHBondContact O-N 3.4Å; S47-Q51 PolarHBondContact OG-NE2 3.2Å; I48-Q51 PolarHBondContact O-N 2.91Å |
| 52 | L | 87.8 | Confident | 91.5 | Very high | 32 Ų | 32 | 89.8 Ų | 89.8 | 17% | 0.168 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -73.2 | 130.3 | -176.3 | -81.6 | 176.7 | 0 | 0 | 0 | 111.9 | I48 M59 V63 | I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CD2 4.39Å; I48-L52 HydrophobicContact CG2-CG 3.88Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.33Å; I48-L52 PolarHBondContact O-N 3.02Å; L52-M59 HydrophobicContact CD1-CB 4.06Å; L52-M59 HydrophobicContact CD2-CB 3.95Å; L52-M59 HydrophobicContact CD2-CE 3.44Å; L52-M59 VanDerWaalsContact CD2-CE 3.44Å; L52-M59 HydrophobicContact CD2-SD 3.95Å; L52-V63 HydrophobicContact CD1-CB 4.47Å; L52-V63 HydrophobicContact CD1-CG2 3.93Å |
| 53 | P | 86.9 | Confident | 91.4 | Very high | 75 Ų | 75 | 89.3 Ų | 89.3 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | trans | -66 | 138.3 | 170.4 | 27.5 | -32 | 0 | 0 | 0 | 109.9 | T55 N56 | P53-T55 PolarHBondContact O-N 3.39Å; P53-N56 HydrophobicContact CG-CB 4.44Å; P53-N56 PolarHBondContact O-N 3.12Å; P53-N56 VanDerWaalsContact O-N 3.08Å | ||
| 54 | S | 81.9 | Confident | 91.4 | Very high | 105 Ų | 105 | 83.6 Ų | 83.6 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.7 | -176.9 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 55 | T | 90.1 | Very high | 91.4 | Very high | 111 Ų | 111 | 81.7 Ų | 81.7 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -18.1 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | P53 F57 | P53-T55 PolarHBondContact O-N 3.39Å; T55-F57 WeakPolarHBondContact O-CD2 3.45Å; T55-F57 PolarHBondContact O-N 3.19Å |
| 56 | N | 89 | Confident | 91.4 | Very high | 56 Ų | 56 | 78.1 Ų | 78.1 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | trans | -93.2 | 72.9 | -177.5 | -161.5 | -28.1 | 0 | 0 | 0 | 111.7 | P53 A58 M59 K60 | P53-N56 HydrophobicContact CG-CB 4.44Å; P53-N56 PolarHBondContact O-N 3.12Å; P53-N56 VanDerWaalsContact O-N 3.08Å; N56-A58 VanDerWaalsContact C-N 3.26Å; N56-A58 PolarHBondContact O-N 3.42Å; N56-M59 HydrophobicContact CB-CB 4.39Å; N56-M59 PolarHBondContact ND2-SD 3.42Å; N56-M59 PolarHBondContact O-N 3.24Å; N56-M59 PolarHBondContact OD1-N 3.25Å; N56-M59 VanDerWaalsContact OD1-N 3.09Å; N56-K60 PolarHBondContact O-N 3.41Å | ||
| 57 | F | 89.6 | Confident | 91.4 | Very high | 155 Ų | 155 | 76.6 Ų | 76.6 | 68% | 0.68 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.5 | -35.8 | -179.4 | -63.6 | -79 | 0 | 0 | 0 | 113.4 | T55 K60 R61 | T55-F57 WeakPolarHBondContact O-CD2 3.45Å; T55-F57 PolarHBondContact O-N 3.19Å; F57-K60 PolarHBondContact O-N 3.45Å; F57-R61 WeakPolarHBondContact O-CB 3.13Å; F57-R61 PolarHBondContact O-N 3.08Å |
| 58 | A | 91.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 75.1 Ų | 75.1 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -51.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N56 K60 R61 D62 | N56-A58 VanDerWaalsContact C-N 3.26Å; N56-A58 PolarHBondContact O-N 3.42Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.41Å; A58-R61 PolarHBondContact O-N 2.75Å; A58-D62 VanDerWaalsContact O-CG 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å; A58-D62 VanDerWaalsContact O-N 3.08Å |
| 59 | M | 92.6 | Very high | 91.6 | Very high | 88 Ų | 88 | 77.9 Ų | 77.9 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.7 | -77.6 | 178 | 77.9 | 0 | 0 | 112 | L52 N56 D62 V63 | L52-M59 HydrophobicContact CD1-CB 4.06Å; L52-M59 HydrophobicContact CD2-CB 3.95Å; L52-M59 HydrophobicContact CD2-CE 3.44Å; L52-M59 VanDerWaalsContact CD2-CE 3.44Å; L52-M59 HydrophobicContact CD2-SD 3.95Å; N56-M59 HydrophobicContact CB-CB 4.39Å; N56-M59 PolarHBondContact ND2-SD 3.42Å; N56-M59 PolarHBondContact O-N 3.24Å; N56-M59 PolarHBondContact OD1-N 3.25Å; N56-M59 VanDerWaalsContact OD1-N 3.09Å; M59-D62 PolarHBondContact O-N 2.92Å; M59-V63 WeakPolarHBondContact O-CB 3.44Å; M59-V63 VanDerWaalsContact O-CG2 3.29Å; M59-V63 WeakPolarHBondContact O-CG2 2.91Å; M59-V63 PolarHBondContact O-N 3.4Å |
| 60 | K | 92.3 | Very high | 91.8 | Very high | 106 Ų | 106 | 75.8 Ų | 75.8 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 178.4 | -173.8 | -176.9 | 172.9 | -173.2 | 0 | 111.4 | N56 F57 A58 D62 V63 Q64 | N56-K60 PolarHBondContact O-N 3.41Å; F57-K60 PolarHBondContact O-N 3.45Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.41Å; K60-D62 PolarHBondContact O-N 3.34Å; K60-V63 PolarHBondContact O-N 2.97Å; K60-Q64 WeakPolarHBondContact O-CG 3.27Å; K60-Q64 PolarHBondContact O-N 3.01Å |
| 61 | R | 93.8 | Very high | 92 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 51% | 0.506 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.1 | -173.5 | -160.1 | 58.8 | -168.2 | -8.6 | 111.6 | F57 A58 V63 Q64 E65 L87 | F57-R61 WeakPolarHBondContact O-CB 3.13Å; F57-R61 PolarHBondContact O-N 3.08Å; A58-R61 PolarHBondContact O-N 2.75Å; R61-V63 VanDerWaalsContact C-N 3.32Å; R61-V63 PolarHBondContact O-N 3.49Å; R61-Q64 PolarHBondContact O-N 3.38Å; R61-E65 WeakPolarHBondContact O-CB 3.33Å; R61-E65 PolarHBondContact O-N 3.44Å; R61-L87 HydrophobicContact CB-CD2 4.19Å; R61-L87 HydrophobicContact CG-CD2 3.5Å; R61-L87 VanDerWaalsContact CG-CD2 3.5Å |
| 62 | D | 93.6 | Very high | 92.2 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | -179.7 | -68.1 | 4.2 | 0 | 0 | 0 | 111.7 | A58 M59 K60 G66 | A58-D62 VanDerWaalsContact O-CG 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å; A58-D62 VanDerWaalsContact O-N 3.08Å; M59-D62 PolarHBondContact O-N 2.92Å; K60-D62 PolarHBondContact O-N 3.34Å; D62-G66 PolarHBondContact O-N 2.88Å |
| 63 | V | 93.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 69 Ų | 69 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | Y45 I48 L52 M59 K60 R61 E65 G66 Q67 | Y45-V63 HydrophobicContact CD1-CB 4.49Å; Y45-V63 HydrophobicContact CD1-CG1 4.1Å; Y45-V63 HydrophobicContact CD1-CG2 4.38Å; Y45-V63 WeakPolarHBondContact O-CG1 3.26Å; I48-V63 HydrophobicContact CG2-CG2 3.79Å; L52-V63 HydrophobicContact CD1-CB 4.47Å; L52-V63 HydrophobicContact CD1-CG2 3.93Å; M59-V63 WeakPolarHBondContact O-CB 3.44Å; M59-V63 VanDerWaalsContact O-CG2 3.29Å; M59-V63 WeakPolarHBondContact O-CG2 2.91Å; M59-V63 PolarHBondContact O-N 3.4Å; K60-V63 PolarHBondContact O-N 2.97Å; R61-V63 VanDerWaalsContact C-N 3.32Å; R61-V63 PolarHBondContact O-N 3.49Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 2.96Å; V63-G66 WeakPolarHBondContact O-CA 3.29Å; V63-G66 PolarHBondContact O-N 3.41Å; V63-G66 VanDerWaalsContact O-N 3.11Å; V63-Q67 WeakPolarHBondContact O-CG 3.41Å; V63-Q67 PolarHBondContact O-N 3.43Å |
| 64 | Q | 94 | Very high | 92.7 | Very high | 24 Ų | 24 | 68 Ų | 68 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 177.4 | -76.5 | 175.5 | -66.5 | 0 | 0 | 111.9 | K60 R61 G66 Q67 A68 M83 L87 | K60-Q64 WeakPolarHBondContact O-CG 3.27Å; K60-Q64 PolarHBondContact O-N 3.01Å; R61-Q64 PolarHBondContact O-N 3.38Å; Q64-G66 VanDerWaalsContact C-N 3.33Å; Q64-G66 PolarHBondContact O-N 3.36Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q64-A68 PolarHBondContact O-N 2.94Å; Q64-M83 HydrophobicContact CB-CG 4.25Å; Q64-M83 HydrophobicContact CG-SD 4.29Å; Q64-L87 HydrophobicContact CB-CD2 3.69Å; Q64-L87 HydrophobicContact CB-CG 4.46Å |
| 65 | E | 94.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.2 | -161 | -168.2 | -174.7 | 0 | 0 | 111.6 | R61 V63 A68 R69 | R61-E65 WeakPolarHBondContact O-CB 3.33Å; R61-E65 PolarHBondContact O-N 3.44Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 2.96Å; E65-A68 PolarHBondContact O-N 2.77Å; E65-R69 WeakPolarHBondContact O-CG 3.46Å; E65-R69 PolarHBondContact O-N 3.23Å; E65-R69 IonicContact OE1-CZ 3.89Å; E65-R69 VanDerWaalsContact OE1-CZ 3.3Å; E65-R69 IonicContact OE1-NE 2.83Å; E65-R69 IonicContact OE1-NH1 2.63Å; E65-R69 IonicContact OE1-NH2 3.39Å; E65-R69 PolarHBondContact OE1-NH2 2.68Å; E65-R69 IonicContact OE2-CZ 2.6Å; E65-R69 IonicContact OE2-NH1 3.3Å; E65-R69 PolarHBondContact OE2-NH1 3.16Å; E65-R69 IonicContact OE2-NH2 3.47Å; E65-R69 PolarHBondContact OE2-NH2 3.44Å |
| 66 | G | 93.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D62 V63 Q64 R69 C70 | D62-G66 PolarHBondContact O-N 2.88Å; V63-G66 WeakPolarHBondContact O-CA 3.29Å; V63-G66 PolarHBondContact O-N 3.41Å; V63-G66 VanDerWaalsContact O-N 3.11Å; Q64-G66 VanDerWaalsContact C-N 3.33Å; Q64-G66 PolarHBondContact O-N 3.36Å; G66-R69 PolarHBondContact O-N 3.27Å; G66-C70 PolarHBondContact O-N 3.18Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 3.34Å |
| 67 | Q | 94.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 176.6 | -66.5 | 174.4 | -59.6 | 0 | 0 | 111.6 | L42 Y45 S46 V63 Q64 R69 C70 L71 M83 | L42-Q67 HydrophobicContact CD1-CB 3.86Å; L42-Q67 HydrophobicContact CD1-CG 4Å; Y45-Q67 HydrophobicContact CD2-CG 4.34Å; Y45-Q67 HydrophobicContact CG-CG 4.06Å; S46-Q67 PolarHBondContact OG-NE2 2.95Å; V63-Q67 WeakPolarHBondContact O-CG 3.41Å; V63-Q67 PolarHBondContact O-N 3.43Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.04Å; Q67-C70 PolarHBondContact O-N 3.4Å; Q67-C70 VanDerWaalsContact O-N 3.12Å; Q67-L71 WeakPolarHBondContact O-CG 3.45Å; Q67-L71 PolarHBondContact O-N 2.9Å; Q67-M83 HydrophobicContact CB-CE 3.91Å; Q67-M83 HydrophobicContact CB-CG 4.29Å; Q67-M83 HydrophobicContact CB-SD 4.44Å |
| 68 | A | 95.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q64 E65 C70 L71 A72 A80 M83 | Q64-A68 PolarHBondContact O-N 2.94Å; E65-A68 PolarHBondContact O-N 2.77Å; A68-C70 PolarHBondContact O-N 3.12Å; A68-L71 PolarHBondContact O-N 3.31Å; A68-A72 WeakPolarHBondContact O-CB 3.02Å; A68-A72 PolarHBondContact O-N 3.2Å; A68-A80 WeakPolarHBondContact O-CB 3.46Å; A68-M83 HydrophobicContact CB-CB 4.25Å; A68-M83 HydrophobicContact CB-CG 4.39Å |
| 69 | R | 94.4 | Very high | 94.2 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.7 | -70.4 | -177.9 | -164.4 | 115.1 | -14.4 | 112.1 | E65 G66 Q67 A72 H73 | E65-R69 WeakPolarHBondContact O-CG 3.46Å; E65-R69 PolarHBondContact O-N 3.23Å; E65-R69 IonicContact OE1-CZ 3.89Å; E65-R69 VanDerWaalsContact OE1-CZ 3.3Å; E65-R69 IonicContact OE1-NE 2.83Å; E65-R69 IonicContact OE1-NH1 2.63Å; E65-R69 IonicContact OE1-NH2 3.39Å; E65-R69 PolarHBondContact OE1-NH2 2.68Å; E65-R69 IonicContact OE2-CZ 2.6Å; E65-R69 IonicContact OE2-NH1 3.3Å; E65-R69 PolarHBondContact OE2-NH1 3.16Å; E65-R69 IonicContact OE2-NH2 3.47Å; E65-R69 PolarHBondContact OE2-NH2 3.44Å; G66-R69 PolarHBondContact O-N 3.27Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.04Å; R69-A72 PolarHBondContact O-N 3.08Å; R69-H73 PolarHBondContact O-CD2 3.03Å; R69-H73 PolarHBondContact O-N 3.34Å |
| 70 | C | 95 | Very high | 94.3 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.6 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | P38 L42 G66 Q67 A68 H73 L74 | P38-C70 HydrophobicContact CB-CB 4.35Å; L42-C70 HydrophobicContact CB-CB 4.15Å; L42-C70 HydrophobicContact CD1-CB 4.3Å; G66-C70 PolarHBondContact O-N 3.18Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 3.34Å; Q67-C70 PolarHBondContact O-N 3.4Å; Q67-C70 VanDerWaalsContact O-N 3.12Å; A68-C70 PolarHBondContact O-N 3.12Å; C70-H73 PolarHBondContact O-N 2.97Å; C70-L74 VanDerWaalsContact O-CG 3.32Å; C70-L74 WeakPolarHBondContact O-CG 3.44Å; C70-L74 PolarHBondContact O-N 3.24Å |
| 71 | L | 94.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.9 | -71.9 | 167.1 | 0 | 0 | 0 | 111.7 | L42 Q67 A68 H73 L74 G75 R76 E79 A80 M83 | L42-L71 HydrophobicContact CD1-CD2 4.34Å; L42-L71 HydrophobicContact CD1-CG 4.07Å; L42-L71 HydrophobicContact CD2-CD2 3.71Å; L42-L71 HydrophobicContact CD2-CG 4.28Å; Q67-L71 WeakPolarHBondContact O-CG 3.45Å; Q67-L71 PolarHBondContact O-N 2.9Å; A68-L71 PolarHBondContact O-N 3.31Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-H73 PolarHBondContact O-N 2.95Å; L71-L74 CarbonylContact O-C 3.57Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.09Å; L71-G75 PolarHBondContact O-N 3.32Å; L71-R76 HydrophobicContact CB-CB 4.28Å; L71-R76 HydrophobicContact CD2-CB 3.97Å; L71-R76 VanDerWaalsContact CD2-CZ 3.47Å; L71-R76 PolarHBondContact O-N 3.06Å; L71-E79 HydrophobicContact CD1-CB 3.94Å; L71-E79 HydrophobicContact CD2-CB 4.26Å; L71-A80 HydrophobicContact CB-CB 3.82Å; L71-M83 HydrophobicContact CD1-CE 4.09Å |
| 72 | A | 94.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A68 R69 L74 G75 H77 A80 | A68-A72 WeakPolarHBondContact O-CB 3.02Å; A68-A72 PolarHBondContact O-N 3.2Å; R69-A72 PolarHBondContact O-N 3.08Å; A72-L74 PolarHBondContact O-N 3.08Å; A72-G75 PolarHBondContact O-N 3.09Å; A72-G75 VanDerWaalsContact O-N 3.17Å; A72-H77 PolarHBondContact O-CE1 3.46Å; A72-A80 HydrophobicContact CB-CB 4.31Å |
| 73 | H | 92.8 | Very high | 94.3 | Very high | 157 Ų | 157 | 64.9 Ų | 64.9 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.1 | -23.8 | 174.9 | -79.4 | -58.8 | 0 | 0 | 0 | 113.8 | P38 R69 C70 L71 | P38-H73 HydrophobicContact CB-CB 4.28Å; P38-H73 HydrophobicContact CG-CB 4.48Å; R69-H73 PolarHBondContact O-CD2 3.03Å; R69-H73 PolarHBondContact O-N 3.34Å; C70-H73 PolarHBondContact O-N 2.97Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-H73 PolarHBondContact O-N 2.95Å |
| 74 | L | 93.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.5 | 175.9 | -68.6 | 170.8 | 0 | 0 | 0 | 113.6 | P38 Q39 L42 C70 L71 A72 R76 | P38-L74 HydrophobicContact CB-CD1 4.4Å; P38-L74 HydrophobicContact CB-CD2 4.19Å; P38-L74 HydrophobicContact CB-CG 4.03Å; P38-L74 HydrophobicContact CG-CD2 3.76Å; P38-L74 HydrophobicContact CG-CG 4.12Å; Q39-L74 HydrophobicContact CG-CD1 4.01Å; Q39-L74 HydrophobicContact CG-CD2 3.8Å; L42-L74 HydrophobicContact CD2-CD1 4.29Å; C70-L74 VanDerWaalsContact O-CG 3.32Å; C70-L74 WeakPolarHBondContact O-CG 3.44Å; C70-L74 PolarHBondContact O-N 3.24Å; L71-L74 CarbonylContact O-C 3.57Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.09Å; A72-L74 PolarHBondContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 HydrophobicContact CB-CG 4.37Å; L74-R76 PolarHBondContact O-N 3.13Å |
| 75 | G | 94.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 7.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L71 A72 H77 | L71-G75 PolarHBondContact O-N 3.32Å; A72-G75 PolarHBondContact O-N 3.09Å; A72-G75 VanDerWaalsContact O-N 3.17Å; G75-H77 PolarHBondContact O-CD2 2.85Å; G75-H77 PolarHBondContact O-N 3.29Å; G75-H77 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 95.5 | Very high | 93.1 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | trans | -87.6 | 62.4 | 179.3 | -63.8 | 168.2 | 69 | -174.2 | 4.2 | 109.9 | L71 L74 E78 E79 A80 | L71-R76 HydrophobicContact CB-CB 4.28Å; L71-R76 HydrophobicContact CD2-CB 3.97Å; L71-R76 VanDerWaalsContact CD2-CZ 3.47Å; L71-R76 PolarHBondContact O-N 3.06Å; L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 HydrophobicContact CB-CG 4.37Å; L74-R76 PolarHBondContact O-N 3.13Å; R76-E78 PolarHBondContact O-N 3.14Å; R76-E79 IonicContact CZ-OE1 3.93Å; R76-E79 IonicContact CZ-OE2 2.93Å; R76-E79 IonicContact NE-OE1 3.3Å; R76-E79 PolarHBondContact NE-OE1 2.89Å; R76-E79 IonicContact NE-OE2 3.17Å; R76-E79 IonicContact NH2-OE1 2.66Å; R76-E79 PolarHBondContact NH2-OE1 3.01Å; R76-E79 IonicContact NH2-OE2 3.74Å; R76-E79 PolarHBondContact NH2-OE2 2.89Å; R76-E79 PolarHBondContact O-N 2.97Å; R76-A80 PolarHBondContact O-N 3.15Å; R76-A80 VanDerWaalsContact O-N 3.12Å | ||
| 77 | H | 95.6 | Very high | 92 | Very high | 115 Ų | 115 | 76.3 Ų | 76.3 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | -169.1 | -62.9 | -60.9 | 0 | 0 | 0 | 113.9 | A72 G75 A80 L81 | A72-H77 PolarHBondContact O-CE1 3.46Å; G75-H77 PolarHBondContact O-CD2 2.85Å; G75-H77 PolarHBondContact O-N 3.29Å; G75-H77 VanDerWaalsContact O-N 3.09Å; H77-A80 PolarHBondContact O-N 3.06Å; H77-L81 WeakPolarHBondContact O-CG 3.32Å; H77-L81 PolarHBondContact O-N 3.1Å |
| 78 | E | 94.8 | Very high | 91.8 | Very high | 170 Ų | 170 | 79.5 Ų | 79.5 | 79% | 0.794 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 177.5 | -66.4 | -179.6 | 173.7 | 0 | 0 | 111.5 | R76 A80 L81 E82 | R76-E78 PolarHBondContact O-N 3.14Å; E78-A80 VanDerWaalsContact C-N 3.31Å; E78-A80 PolarHBondContact O-N 2.83Å; E78-L81 WeakPolarHBondContact O-CB 3.41Å; E78-L81 PolarHBondContact O-N 2.97Å; E78-L81 VanDerWaalsContact O-N 3.14Å; E78-E82 PolarHBondContact O-N 2.93Å |
| 79 | E | 93.8 | Very high | 91.6 | Very high | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.1 | -33.9 | 177.7 | -61.2 | 179.9 | -100 | 0 | 0 | 112 | L71 R76 L81 E82 M83 | L71-E79 HydrophobicContact CD1-CB 3.94Å; L71-E79 HydrophobicContact CD2-CB 4.26Å; R76-E79 IonicContact CZ-OE1 3.93Å; R76-E79 IonicContact CZ-OE2 2.93Å; R76-E79 IonicContact NE-OE1 3.3Å; R76-E79 PolarHBondContact NE-OE1 2.89Å; R76-E79 IonicContact NE-OE2 3.17Å; R76-E79 IonicContact NH2-OE1 2.66Å; R76-E79 PolarHBondContact NH2-OE1 3.01Å; R76-E79 IonicContact NH2-OE2 3.74Å; R76-E79 PolarHBondContact NH2-OE2 2.89Å; R76-E79 PolarHBondContact O-N 2.97Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.33Å; E79-E82 PolarHBondContact O-N 2.94Å; E79-M83 WeakPolarHBondContact O-CB 3.3Å; E79-M83 PolarHBondContact O-N 3.22Å |
| 80 | A | 95.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 80.6 Ų | 80.6 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | A68 L71 A72 R76 H77 E78 A84 | A68-A80 WeakPolarHBondContact O-CB 3.46Å; L71-A80 HydrophobicContact CB-CB 3.82Å; A72-A80 HydrophobicContact CB-CB 4.31Å; R76-A80 PolarHBondContact O-N 3.15Å; R76-A80 VanDerWaalsContact O-N 3.12Å; H77-A80 PolarHBondContact O-N 3.06Å; E78-A80 VanDerWaalsContact C-N 3.31Å; E78-A80 PolarHBondContact O-N 2.83Å; A80-A84 WeakPolarHBondContact O-CB 3.28Å; A80-A84 PolarHBondContact O-N 2.79Å; A80-A84 VanDerWaalsContact O-N 3.14Å |
| 81 | L | 94.4 | Very high | 91.3 | Very high | 124 Ų | 124 | 84.7 Ų | 84.7 | 65% | 0.649 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.6 | -42.1 | 177.4 | -76.9 | 166.3 | 0 | 0 | 0 | 111.9 | H77 E78 E79 A84 A85 | H77-L81 WeakPolarHBondContact O-CG 3.32Å; H77-L81 PolarHBondContact O-N 3.1Å; E78-L81 WeakPolarHBondContact O-CB 3.41Å; E78-L81 PolarHBondContact O-N 2.97Å; E78-L81 VanDerWaalsContact O-N 3.14Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.33Å; L81-A84 PolarHBondContact O-N 3.2Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.28Å |
| 82 | E | 94 | Very high | 91 | Very high | 134 Ų | 134 | 89.8 Ų | 89.8 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.1 | -50.3 | 175.2 | -175.3 | 175.7 | -154.3 | 0 | 0 | 110.8 | E78 E79 A84 A85 D86 | E78-E82 PolarHBondContact O-N 2.93Å; E79-E82 PolarHBondContact O-N 2.94Å; E82-A84 PolarHBondContact O-N 3.49Å; E82-A85 WeakPolarHBondContact O-CB 3.12Å; E82-A85 PolarHBondContact O-N 2.96Å; E82-D86 PolarHBondContact O-N 3.17Å |
| 83 | M | 90.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 92.9 Ų | 92.9 | 23% | 0.227 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 177.4 | -161.9 | 79.2 | 71.3 | 0 | 0 | 112.7 | Q64 Q67 A68 L71 E79 | Q64-M83 HydrophobicContact CB-CG 4.25Å; Q64-M83 HydrophobicContact CG-SD 4.29Å; Q67-M83 HydrophobicContact CB-CE 3.91Å; Q67-M83 HydrophobicContact CB-CG 4.29Å; Q67-M83 HydrophobicContact CB-SD 4.44Å; A68-M83 HydrophobicContact CB-CB 4.25Å; A68-M83 HydrophobicContact CB-CG 4.39Å; L71-M83 HydrophobicContact CD1-CE 4.09Å; E79-M83 WeakPolarHBondContact O-CB 3.3Å; E79-M83 PolarHBondContact O-N 3.22Å |
| 84 | A | 89.6 | Confident | 90.7 | Very high | 48 Ų | 48 | 88.4 Ų | 88.4 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -80 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A80 L81 E82 D86 L87 | A80-A84 WeakPolarHBondContact O-CB 3.28Å; A80-A84 PolarHBondContact O-N 2.79Å; A80-A84 VanDerWaalsContact O-N 3.14Å; L81-A84 PolarHBondContact O-N 3.2Å; E82-A84 PolarHBondContact O-N 3.49Å; A84-D86 VanDerWaalsContact C-N 3.34Å; A84-L87 HydrophobicContact CB-CD1 4.43Å |
| 85 | A | 89.4 | Confident | 90.4 | Very high | 79 Ų | 79 | 91.1 Ų | 91.1 | 65% | 0.653 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.4 | -25.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L81 E82 L87 | L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.28Å; E82-A85 WeakPolarHBondContact O-CB 3.12Å; E82-A85 PolarHBondContact O-N 2.96Å; A85-L87 VanDerWaalsContact C-N 3.34Å |
| 86 | D | 78.6 | Confident | 90.1 | Very high | 110 Ų | 110 | 94.8 Ų | 94.8 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 11.6 | 179.5 | -70.2 | -24.6 | 0 | 0 | 0 | 114.3 | E82 A84 | E82-D86 PolarHBondContact O-N 3.17Å; A84-D86 VanDerWaalsContact C-N 3.34Å |
| 87 | L | 70.3 | Confident | 89.6 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | trans | -85.4 | 0 | 174.7 | -75.3 | 167 | 0 | 0 | 0 | 112.1 | R61 Q64 A84 A85 | R61-L87 HydrophobicContact CB-CD2 4.19Å; R61-L87 HydrophobicContact CG-CD2 3.5Å; R61-L87 VanDerWaalsContact CG-CD2 3.5Å; Q64-L87 HydrophobicContact CB-CD2 3.69Å; Q64-L87 HydrophobicContact CB-CG 4.46Å; A84-L87 HydrophobicContact CB-CD1 4.43Å; A85-L87 VanDerWaalsContact C-N 3.34Å |
Retrieved 87 of 87 residues in 88.8 ms
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