| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.4 | Very low | 47.4 | Very low | 191 Ų | 191 | 122.3 Ų | 122.3 | 94% | 0.941 | 63% | 0.631 | S | S | * | * | 0 | -24.7 | 0 | -83.7 | -58.9 | -145.1 | 0 | 0 | 114.7 | E138 | M1-E138 PolarHBondContact N-OE1 3.39Š| |||
| 2 | Q | 45.7 | Very low | 48.1 | Very low | 177 Ų | 177 | 122.3 Ų | 122.3 | 83% | 0.827 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.6 | -25.3 | 176.8 | -80.1 | 173.5 | -32 | 0 | 0 | 113.7 | ||
| 3 | Y | 42.5 | Very low | 48.2 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 55% | 0.553 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.3 | -33.2 | -178.9 | -89.1 | -87.9 | 0 | 0 | 0 | 114.3 | A5 A6 L7 | Y3-A5 VanDerWaalsContact C-N 3.26Å; Y3-A5 PolarHBondContact O-N 2.96Å; Y3-A6 PolarHBondContact O-N 3.33Å; Y3-A6 VanDerWaalsContact O-N 3.09Å; Y3-L7 PolarHBondContact O-N 3.46Å; Y3-L7 VanDerWaalsContact O-N 3.12Å |
| 4 | V | 50.4 | Low | 48.3 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 51% | 0.509 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.3 | -31.9 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 5 | A | 45.9 | Very low | 48.3 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.5 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y3 | Y3-A5 VanDerWaalsContact C-N 3.26Å; Y3-A5 PolarHBondContact O-N 2.96Å |
| 6 | A | 50.1 | Low | 48.2 | Very low | 44 Ų | 44 | 129.1 Ų | 129.1 | 36% | 0.364 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.5 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y3 L8 Q9 Y10 | Y3-A6 PolarHBondContact O-N 3.33Å; Y3-A6 VanDerWaalsContact O-N 3.09Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 3.4Å; A6-Q9 PolarHBondContact O-N 2.97Å; A6-Y10 VanDerWaalsContact O-CD2 3.26Å; A6-Y10 WeakPolarHBondContact O-CD2 3.49Å |
| 7 | L | 47.1 | Very low | 48.1 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 58% | 0.581 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.2 | -24 | 178.1 | -74.4 | 167.3 | 0 | 0 | 0 | 113.5 | Y3 | Y3-L7 PolarHBondContact O-N 3.46Å; Y3-L7 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 48.9 | Very low | 47.4 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.6 | -13.8 | 176.4 | -69.3 | 172 | 0 | 0 | 0 | 113.7 | A6 | A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 3.4Å |
| 9 | Q | 54 | Low | 46.9 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -92.4 | -2 | -177.2 | -159.6 | 98 | -33.2 | 0 | 0 | 113.8 | A6 P11 | A6-Q9 PolarHBondContact O-N 2.97Å; Q9-P11 WeakPolarHBondContact O-CD 3.39Å |
| 10 | Y | 43.5 | Very low | 46.6 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 55% | 0.553 | 69% | 0.69 | S | S | * | * | trans | -126.3 | 81.2 | -173.4 | -72.8 | -62.1 | 0 | 0 | 0 | 113.4 | A6 N12 W13 | A6-Y10 VanDerWaalsContact O-CD2 3.26Å; A6-Y10 WeakPolarHBondContact O-CD2 3.49Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 3.41Å; Y10-W13 AromaticContact CD1-CE2 3.74Å; Y10-W13 AromaticContact CD1-CZ2 3.92Å; Y10-W13 HydrophobicContact CD1-CZ2 3.92Å; Y10-W13 AromaticContact CD1-NE1 2.96Å; Y10-W13 AromaticContact CE1-CZ2 3.93Å; Y10-W13 HydrophobicContact CE1-CZ2 3.93Å; Y10-W13 AromaticContact CE1-NE1 3.73Å; Y10-W13 AromaticContact CG-CD1 3.99Å; Y10-W13 AromaticContact CG-NE1 3.32Å; Y10-W13 VanDerWaalsContact CG-NE1 3.32Å | ||
| 11 | P | 48.3 | Very low | 45.9 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | trans | -80.8 | -2.9 | -174.2 | -8.4 | 26 | 0 | 0 | 0 | 115.3 | Q9 | Q9-P11 WeakPolarHBondContact O-CD 3.39Š| ||
| 12 | N | 55.4 | Low | 45.4 | Very low | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -127.9 | -3.3 | -159.3 | -69.2 | -39.1 | 0 | 0 | 0 | 117.5 | Y10 M14 | Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 3.41Å; N12-M14 VanDerWaalsContact C-N 3.33Å; N12-M14 PolarHBondContact O-N 3.22Å |
| 13 | W | 50.2 | Low | 44.9 | Very low | 203 Ų | 203 | 119.7 Ų | 119.7 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -13.8 | -178.9 | -45.8 | 104.4 | 0 | 0 | 0 | 114.4 | Y10 F15 | Y10-W13 AromaticContact CD1-CE2 3.74Å; Y10-W13 AromaticContact CD1-CZ2 3.92Å; Y10-W13 HydrophobicContact CD1-CZ2 3.92Å; Y10-W13 AromaticContact CD1-NE1 2.96Å; Y10-W13 AromaticContact CE1-CZ2 3.93Å; Y10-W13 HydrophobicContact CE1-CZ2 3.93Å; Y10-W13 AromaticContact CE1-NE1 3.73Å; Y10-W13 AromaticContact CG-CD1 3.99Å; Y10-W13 AromaticContact CG-NE1 3.32Å; Y10-W13 VanDerWaalsContact CG-NE1 3.32Å; W13-F15 VanDerWaalsContact C-N 3.31Å; W13-F15 PolarHBondContact O-N 3.44Å |
| 14 | M | 49.4 | Very low | 44.7 | Very low | 156 Ų | 156 | 117 Ų | 117 | 77% | 0.768 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.5 | 178.4 | -76.6 | -168.9 | 179.4 | 0 | 0 | 114.2 | N12 | N12-M14 VanDerWaalsContact C-N 3.33Å; N12-M14 PolarHBondContact O-N 3.22Å |
| 15 | F | 47.7 | Very low | 44.3 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | trans | -123.1 | 73 | -177 | -62.9 | -77.7 | 0 | 0 | 0 | 111.2 | W13 | W13-F15 VanDerWaalsContact C-N 3.31Å; W13-F15 PolarHBondContact O-N 3.44Å | ||
| 16 | A | 47.7 | Very low | 44.2 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 118.5 | 158 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 17 | G | 45.1 | Very low | 44.1 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 152.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 18 | T | 36.2 | Very low | 44.2 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.6 | 173.5 | 33.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 19 | N | 37.4 | Very low | 44.6 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | -168.7 | 146.4 | 131.1 | -141.8 | -30.6 | 0 | 0 | 0 | 114.7 | ||||
| 20 | V | 40.4 | Very low | 44.6 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | 73.4 | 125.9 | 156.5 | -157.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 21 | G | 33.8 | Very low | 45.1 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 160.4 | 69.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G23 | G21-G23 PolarHBondContact O-N 3.37Š| ||
| 22 | N | 34.2 | Very low | 45.4 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 119.7 | 170.1 | -159.5 | 30.9 | 0 | 0 | 0 | 109.6 | ||||
| 23 | G | 35.4 | Very low | 45.6 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | -145.1 | 92.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G21 | G21-G23 PolarHBondContact O-N 3.37Š| ||
| 24 | A | 38.4 | Very low | 45.8 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -80.1 | 116.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | Y | 41.3 | Very low | 46.1 | Very low | 236 Ų | 236 | 112.4 Ų | 112.4 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | trans | -154.2 | 100.2 | 151.4 | -60.1 | -73.5 | 0 | 0 | 0 | 105.2 | ||||
| 26 | G | 43.8 | Very low | 46.5 | Very low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | 86 | 94.6 | 77.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 27 | T | 48.7 | Very low | 46.6 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 164.1 | 130.5 | 133.7 | 38.6 | 0 | 0 | 0 | 0 | 111.3 | A29 | T27-A29 VanDerWaalsContact C-N 3.3Å; T27-A29 PolarHBondContact O-N 3.19Å | ||
| 28 | P | 48.8 | Very low | 46.8 | Very low | 140 Ų | 140 | 119 Ų | 119 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 75.9 | 178.3 | 34.6 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 29 | A | 56.1 | Low | 47.4 | Very low | 59 Ų | 59 | 118.9 Ų | 118.9 | 49% | 0.488 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | -9.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T27 N31 T33 | T27-A29 VanDerWaalsContact C-N 3.3Å; T27-A29 PolarHBondContact O-N 3.19Å; A29-N31 PolarHBondContact O-N 2.83Å; A29-T33 PolarHBondContact O-OG1 3.43Å |
| 30 | F | 55.9 | Low | 47.9 | Very low | 151 Ų | 151 | 119 Ų | 119 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.7 | -36.3 | -167.7 | -159.2 | -115.9 | 0 | 0 | 0 | 113.6 | N32 T33 L34 | F30-N32 PolarHBondContact O-N 3.5Å; F30-T33 PolarHBondContact O-N 2.9Å; F30-L34 HydrophobicContact CD1-CD1 3.25Å; F30-L34 HydrophobicContact CD1-CG 4.05Å; F30-L34 HydrophobicContact CE1-CD1 3.24Å; F30-L34 HydrophobicContact CE1-CD2 4.3Å; F30-L34 HydrophobicContact CE1-CG 3.86Å; F30-L34 HydrophobicContact CG-CD1 4.1Å; F30-L34 HydrophobicContact CZ-CD1 4.04Å; F30-L34 HydrophobicContact CZ-CD2 4.41Å; F30-L34 HydrophobicContact CZ-CG 4.17Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 WeakPolarHBondContact O-CG 3.28Å; F30-L34 PolarHBondContact O-N 3.01Å |
| 31 | N | 53.6 | Low | 48.3 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.4 | -33.4 | -174.8 | -86.2 | 1.8 | 0 | 0 | 0 | 114.2 | A29 G35 | A29-N31 PolarHBondContact O-N 2.83Å; N31-G35 PolarHBondContact O-N 3.38Å |
| 32 | N | 54.9 | Low | 49.1 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.9 | -26 | 178.6 | -75.4 | -3.7 | 0 | 0 | 0 | 112.4 | F30 K36 | F30-N32 PolarHBondContact O-N 3.5Å; N32-K36 PolarHBondContact O-N 3.13Å |
| 33 | T | 58 | Low | 49.4 | Very low | 74 Ų | 74 | 119 Ų | 119 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -78.3 | -40 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | A29 F30 G35 K36 L37 | A29-T33 PolarHBondContact O-OG1 3.43Å; F30-T33 PolarHBondContact O-N 2.9Å; T33-G35 VanDerWaalsContact C-N 3.34Å; T33-G35 PolarHBondContact O-N 3.25Å; T33-K36 PolarHBondContact O-N 3.24Å; T33-L37 HydrophobicContact CG2-CD1 3.93Å; T33-L37 HydrophobicContact CG2-CG 4.31Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.71Å |
| 34 | L | 55.9 | Low | 49.7 | Very low | 49 Ų | 49 | 121.2 Ų | 121.2 | 26% | 0.257 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -57.2 | -45 | 172.4 | -88.8 | 164.6 | 0 | 0 | 0 | 112.4 | F30 K36 L37 W38 | F30-L34 HydrophobicContact CD1-CD1 3.25Å; F30-L34 HydrophobicContact CD1-CG 4.05Å; F30-L34 HydrophobicContact CE1-CD1 3.24Å; F30-L34 HydrophobicContact CE1-CD2 4.3Å; F30-L34 HydrophobicContact CE1-CG 3.86Å; F30-L34 HydrophobicContact CG-CD1 4.1Å; F30-L34 HydrophobicContact CZ-CD1 4.04Å; F30-L34 HydrophobicContact CZ-CD2 4.41Å; F30-L34 HydrophobicContact CZ-CG 4.17Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 WeakPolarHBondContact O-CG 3.28Å; F30-L34 PolarHBondContact O-N 3.01Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 3.26Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-W38 HydrophobicContact CD2-CE3 3.88Å; L34-W38 HydrophobicContact CD2-CZ3 3.62Å; L34-W38 WeakPolarHBondContact O-CB 3.28Å; L34-W38 PolarHBondContact O-N 3.15Å |
| 35 | G | 55 | Low | 49.9 | Very low | 44 Ų | 44 | 124.2 Ų | 124.2 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.6 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N31 T33 N39 | N31-G35 PolarHBondContact O-N 3.38Å; T33-G35 VanDerWaalsContact C-N 3.34Å; T33-G35 PolarHBondContact O-N 3.25Å; G35-N39 VanDerWaalsContact O-CB 3.28Å; G35-N39 WeakPolarHBondContact O-CB 3.45Å; G35-N39 PolarHBondContact O-N 2.9Å; G35-N39 VanDerWaalsContact O-N 3.15Å |
| 36 | K | 55.4 | Low | 50.2 | Low | 165 Ų | 165 | 118 Ų | 118 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.9 | -39.8 | 175 | -73.1 | 179.1 | 174.9 | -179.8 | 0 | 112.4 | N32 T33 L34 W38 N39 E40 | N32-K36 PolarHBondContact O-N 3.13Å; T33-K36 PolarHBondContact O-N 3.24Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 3.26Å; K36-W38 VanDerWaalsContact C-N 3.3Å; K36-W38 PolarHBondContact O-N 3.31Å; K36-N39 PolarHBondContact O-N 3.45Å; K36-E40 PolarHBondContact O-N 3.14Å; K36-E40 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 49.9 | Very low | 50.1 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.2 | -28.3 | 176.4 | -68.4 | 171.2 | 0 | 0 | 0 | 112.8 | T33 L34 | T33-L37 HydrophobicContact CG2-CD1 3.93Å; T33-L37 HydrophobicContact CG2-CG 4.31Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.71Å; L34-L37 PolarHBondContact O-N 3.49Å |
| 38 | W | 50.7 | Low | 50.2 | Low | 174 Ų | 174 | 121.5 Ų | 121.5 | 66% | 0.659 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.1 | -16.2 | 174.8 | -118.8 | -73.8 | 0 | 0 | 0 | 114.3 | L34 K36 R41 | L34-W38 HydrophobicContact CD2-CE3 3.88Å; L34-W38 HydrophobicContact CD2-CZ3 3.62Å; L34-W38 WeakPolarHBondContact O-CB 3.28Å; L34-W38 PolarHBondContact O-N 3.15Å; K36-W38 VanDerWaalsContact C-N 3.3Å; K36-W38 PolarHBondContact O-N 3.31Å; W38-R41 WeakPolarHBondContact O-CG 3.23Å |
| 39 | N | 47.4 | Very low | 50.3 | Low | 141 Ų | 141 | 121.2 Ų | 121.2 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -90.4 | -15.2 | 175 | -149.2 | 27 | 0 | 0 | 0 | 112.3 | G35 K36 R41 | G35-N39 VanDerWaalsContact O-CB 3.28Å; G35-N39 WeakPolarHBondContact O-CB 3.45Å; G35-N39 PolarHBondContact O-N 2.9Å; G35-N39 VanDerWaalsContact O-N 3.15Å; K36-N39 PolarHBondContact O-N 3.45Å; N39-R41 PolarHBondContact O-N 3.3Å |
| 40 | E | 47.5 | Very low | 50.4 | Low | 153 Ų | 153 | 126.7 Ų | 126.7 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | trans | -75.9 | 49.6 | 156.9 | -159.2 | -178.9 | 177.2 | 0 | 0 | 110 | K36 V42 | K36-E40 PolarHBondContact O-N 3.14Å; K36-E40 VanDerWaalsContact O-N 3.15Å; E40-V42 PolarHBondContact O-N 3.29Å | ||
| 41 | R | 48.9 | Very low | 51.4 | Low | 200 Ų | 200 | 122.9 Ų | 122.9 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | trans | -62.3 | 94.5 | 160.2 | -83.5 | 179.3 | -164.7 | -179.9 | 3 | 105.4 | W38 N39 G43 | W38-R41 WeakPolarHBondContact O-CG 3.23Å; N39-R41 PolarHBondContact O-N 3.3Å; R41-G43 PolarHBondContact O-N 2.82Å | ||
| 42 | V | 50.6 | Low | 52.7 | Low | 104 Ų | 104 | 125 Ų | 125 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | trans | 15 | 92.2 | 145.2 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | E40 N44 | E40-V42 PolarHBondContact O-N 3.29Å; V42-N44 HydrophobicContact CG1-CB 4.48Å; V42-N44 WeakPolarHBondContact CG1-OD1 3.48Å; V42-N44 PolarHBondContact O-N 3.3Å | ||
| 43 | G | 40.5 | Very low | 54.1 | Low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 62% | 0.623 | S | S | * | * | trans | -60 | 77.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | R41 D45 | R41-G43 PolarHBondContact O-N 2.82Å; G43-D45 PolarHBondContact O-N 3.42Å | ||
| 44 | N | 43 | Very low | 55.3 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | trans | -67.1 | 79.8 | 162.2 | -95.6 | 8.2 | 0 | 0 | 0 | 104 | V42 I46 | V42-N44 HydrophobicContact CG1-CB 4.48Å; V42-N44 WeakPolarHBondContact CG1-OD1 3.48Å; V42-N44 PolarHBondContact O-N 3.3Å; N44-I46 HydrophobicContact CB-CD1 3.67Å; N44-I46 HydrophobicContact CB-CG1 3.77Å; N44-I46 PolarHBondContact O-N 3.15Å | ||
| 45 | D | 42.6 | Very low | 56.8 | Low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -68.3 | 77.4 | 159.9 | -161.2 | 5.8 | 0 | 0 | 0 | 106.3 | G43 R47 | G43-D45 PolarHBondContact O-N 3.42Å; D45-R47 PolarHBondContact O-N 3.23Å | ||
| 46 | I | 47.9 | Very low | 58.4 | Low | 106 Ų | 106 | 123 Ų | 123 | 54% | 0.544 | 62% | 0.619 | S | S | . | * | trans | -78.4 | 71.4 | 173.5 | -62.1 | 157.4 | 0 | 0 | 0 | 105.6 | N44 F50 | N44-I46 HydrophobicContact CB-CD1 3.67Å; N44-I46 HydrophobicContact CB-CG1 3.77Å; N44-I46 PolarHBondContact O-N 3.15Å; I46-F50 HydrophobicContact CG2-CZ 4.46Å | ||
| 47 | R | 40.7 | Very low | 59.9 | Low | 231 Ų | 231 | 116.4 Ų | 116.4 | 87% | 0.872 | 59% | 0.593 | S | S | * | * | trans | -113.2 | 44.6 | 138.3 | -103.1 | -179.5 | 168.6 | -148.6 | -1.9 | 108.4 | D45 D49 | D45-R47 PolarHBondContact O-N 3.23Å; R47-D49 PolarHBondContact O-N 3.12Å | ||
| 48 | A | 50.2 | Low | 61.7 | Low | 40 Ų | 40 | 112.4 Ų | 112.4 | 33% | 0.331 | 58% | 0.579 | S | S | . | * | trans | -73.7 | 106.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | F50 | A48-F50 PolarHBondContact O-N 3.1Š| ||
| 49 | D | 51.2 | Low | 63.7 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | trans | -47.1 | 120.1 | 154.6 | -73.5 | -41.6 | 0 | 0 | 0 | 106.2 | R47 T51 | R47-D49 PolarHBondContact O-N 3.12Å; D49-T51 PolarHBondContact O-N 2.96Å; D49-T51 PolarHBondContact O-OG1 3.42Å | ||
| 50 | F | 59.4 | Low | 65.7 | Low | 174 Ų | 174 | 102.5 Ų | 102.5 | 76% | 0.763 | 54% | 0.538 | S | S | * | . | trans | -69 | 67 | -178.7 | -70.8 | -80.1 | 0 | 0 | 0 | 109.8 | I46 A48 | I46-F50 HydrophobicContact CG2-CZ 4.46Å; A48-F50 PolarHBondContact O-N 3.1Å | ||
| 51 | T | 75.8 | Confident | 67.7 | Low | 70 Ų | 70 | 99.4 Ų | 99.4 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | trans | -79.3 | 143.4 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 107 | D49 I53 S54 V55 | D49-T51 PolarHBondContact O-N 2.96Å; D49-T51 PolarHBondContact O-OG1 3.42Å; T51-I53 HydrophobicContact CG2-CB 4.2Å; T51-I53 HydrophobicContact CG2-CD1 4.03Å; T51-I53 HydrophobicContact CG2-CG1 4.3Å; T51-I53 PolarHBondContact O-N 3.16Å; T51-S54 WeakPolarHBondContact O-CB 3.48Å; T51-S54 PolarHBondContact O-N 3.41Å; T51-V55 PolarHBondContact O-N 3.25Å | ||
| 52 | K | 81.9 | Confident | 69.7 | Low | 180 Ų | 180 | 95.1 Ų | 95.1 | 78% | 0.783 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -44.6 | -40.2 | 176.7 | -63.8 | -178.5 | 179.4 | -177.2 | 0 | 111.9 | V55 T56 | K52-V55 PolarHBondContact O-N 2.95Å; K52-T56 PolarHBondContact O-N 3.28Å; K52-T56 PolarHBondContact O-OG1 3.46Å |
| 53 | I | 83.9 | Confident | 71.7 | Confident | 90 Ų | 90 | 93.8 Ų | 93.8 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 179 | -62.1 | 156.5 | 0 | 0 | 0 | 112.8 | T51 T56 T57 V100 | T51-I53 HydrophobicContact CG2-CB 4.2Å; T51-I53 HydrophobicContact CG2-CD1 4.03Å; T51-I53 HydrophobicContact CG2-CG1 4.3Å; T51-I53 PolarHBondContact O-N 3.16Å; I53-T56 PolarHBondContact O-N 3.35Å; I53-T57 VanDerWaalsContact O-CB 3.27Å; I53-T57 WeakPolarHBondContact O-CB 3.23Å; I53-T57 PolarHBondContact O-N 3.11Å; I53-T57 PolarHBondContact O-OG1 2.96Å; I53-V100 HydrophobicContact CG2-CG2 3.34Å |
| 54 | S | 83.7 | Confident | 74.2 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | T51 T57 G58 | T51-S54 WeakPolarHBondContact O-CB 3.48Å; T51-S54 PolarHBondContact O-N 3.41Å; S54-T57 PolarHBondContact O-N 2.87Å; S54-G58 PolarHBondContact O-N 3.43Å |
| 55 | V | 87 | Confident | 76.5 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | T51 K52 T57 G58 I59 | T51-V55 PolarHBondContact O-N 3.25Å; K52-V55 PolarHBondContact O-N 2.95Å; V55-T57 PolarHBondContact O-N 2.92Å; V55-G58 PolarHBondContact O-N 3.35Å; V55-I59 HydrophobicContact CG1-CD1 4.05Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.32Å |
| 56 | T | 88 | Confident | 78.9 | Confident | 46 Ų | 46 | 87.4 Ų | 87.4 | 28% | 0.282 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 179 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | K52 I53 G58 I59 V60 F98 | K52-T56 PolarHBondContact O-N 3.28Å; K52-T56 PolarHBondContact O-OG1 3.46Å; I53-T56 PolarHBondContact O-N 3.35Å; T56-G58 VanDerWaalsContact C-N 3.3Å; T56-G58 PolarHBondContact O-N 2.94Å; T56-I59 PolarHBondContact O-N 3.19Å; T56-V60 HydrophobicContact CG2-CG2 4.44Å; T56-V60 WeakPolarHBondContact O-CG2 3.34Å; T56-V60 PolarHBondContact O-N 3.27Å; T56-F98 HydrophobicContact CG2-CB 3.67Å; T56-F98 HydrophobicContact CG2-CD1 3.64Å; T56-F98 HydrophobicContact CG2-CG 3.89Å |
| 57 | T | 87.7 | Confident | 81 | Confident | 26 Ų | 26 | 85.1 Ų | 85.1 | 16% | 0.16 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | I53 S54 V55 V60 K61 F98 V99 | I53-T57 VanDerWaalsContact O-CB 3.27Å; I53-T57 WeakPolarHBondContact O-CB 3.23Å; I53-T57 PolarHBondContact O-N 3.11Å; I53-T57 PolarHBondContact O-OG1 2.96Å; S54-T57 PolarHBondContact O-N 2.87Å; V55-T57 PolarHBondContact O-N 2.92Å; T57-V60 PolarHBondContact O-N 3.46Å; T57-K61 VanDerWaalsContact O-CB 3.24Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 PolarHBondContact O-N 3.47Å; T57-F98 PolarHBondContact OG1-O 3.31Å; T57-V99 HydrophobicContact CG2-CB 4.47Å; T57-V99 HydrophobicContact CG2-CG1 3.84Å; T57-V99 HydrophobicContact CG2-CG2 4.14Å |
| 58 | G | 88.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 76 Ų | 76 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S54 V55 T56 K61 I62 | S54-G58 PolarHBondContact O-N 3.43Å; V55-G58 PolarHBondContact O-N 3.35Å; T56-G58 VanDerWaalsContact C-N 3.3Å; T56-G58 PolarHBondContact O-N 2.94Å; G58-K61 PolarHBondContact O-N 2.97Å; G58-I62 VanDerWaalsContact O-CG1 3.3Å; G58-I62 WeakPolarHBondContact O-CG1 3.28Å; G58-I62 PolarHBondContact O-N 3.35Å |
| 59 | I | 90.8 | Very high | 85.4 | Confident | 96 Ų | 96 | 78 Ų | 78 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 177.5 | -65.9 | 166.3 | 0 | 0 | 0 | 110.4 | V55 T56 K61 I62 C63 | V55-I59 HydrophobicContact CG1-CD1 4.05Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.32Å; T56-I59 PolarHBondContact O-N 3.19Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 3.12Å; I59-I62 PolarHBondContact O-N 2.93Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I59-C63 PolarHBondContact O-N 3.06Å; I59-C63 PolarHBondContact O-SG 3.06Å; I59-C63 VanDerWaalsContact O-SG 3.32Å |
| 60 | V | 90 | Very high | 87.3 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 179.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | T56 T57 I62 C63 L64 L95 F98 V99 I105 | T56-V60 HydrophobicContact CG2-CG2 4.44Å; T56-V60 WeakPolarHBondContact O-CG2 3.34Å; T56-V60 PolarHBondContact O-N 3.27Å; T57-V60 PolarHBondContact O-N 3.46Å; V60-I62 PolarHBondContact O-N 3.3Å; V60-C63 PolarHBondContact O-N 3.08Å; V60-L64 HydrophobicContact CG1-CD1 4.01Å; V60-L64 HydrophobicContact CG1-CG 4.35Å; V60-L64 WeakPolarHBondContact O-CG 3.15Å; V60-L64 PolarHBondContact O-N 3.35Å; V60-L95 HydrophobicContact CG1-CB 4.4Å; V60-L95 HydrophobicContact CG1-CD1 4.03Å; V60-L95 HydrophobicContact CG1-CD2 3.96Å; V60-L95 HydrophobicContact CG1-CG 4.36Å; V60-L95 HydrophobicContact CG2-CD2 4.08Å; V60-F98 HydrophobicContact CG2-CB 4.02Å; V60-V99 HydrophobicContact CB-CG2 4.13Å; V60-V99 HydrophobicContact CG1-CG2 4Å; V60-V99 HydrophobicContact CG2-CG2 4.48Å; V60-I105 HydrophobicContact CG1-CD1 3.47Å; V60-I105 VanDerWaalsContact CG1-CD1 3.47Å |
| 61 | K | 89.5 | Confident | 88.7 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 177.5 | -170.4 | 178.2 | -170.5 | 173.9 | 0 | 112.4 | T57 G58 I59 K65 L104 L108 | T57-K61 VanDerWaalsContact O-CB 3.24Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 PolarHBondContact O-N 3.47Å; G58-K61 PolarHBondContact O-N 2.97Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 3.12Å; K61-K65 HydrophobicContact CG-CD 4.44Å; K61-K65 WeakPolarHBondContact O-CB 3.39Å; K61-K65 VanDerWaalsContact O-CG 3.27Å; K61-K65 WeakPolarHBondContact O-CG 3.44Å; K61-K65 PolarHBondContact O-N 3.01Å; K61-L104 HydrophobicContact CD-CD1 4.25Å; K61-L104 HydrophobicContact CG-CD2 4.48Å; K61-L108 HydrophobicContact CG-CD1 4.39Å |
| 62 | I | 91.8 | Very high | 89.3 | Confident | 111 Ų | 111 | 68.7 Ų | 68.7 | 57% | 0.569 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.7 | -48 | 175.4 | -68.2 | 165 | 0 | 0 | 0 | 109.8 | G58 I59 V60 L64 K65 T66 | G58-I62 VanDerWaalsContact O-CG1 3.3Å; G58-I62 WeakPolarHBondContact O-CG1 3.28Å; G58-I62 PolarHBondContact O-N 3.35Å; I59-I62 PolarHBondContact O-N 2.93Å; I59-I62 VanDerWaalsContact O-N 3.16Å; V60-I62 PolarHBondContact O-N 3.3Å; I62-L64 PolarHBondContact O-N 2.92Å; I62-K65 PolarHBondContact O-N 3.3Å; I62-T66 WeakPolarHBondContact O-CB 3.48Å; I62-T66 PolarHBondContact O-N 3.46Å; I62-T66 PolarHBondContact O-OG1 3.3Å |
| 63 | C | 92.7 | Very high | 89.6 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 178.5 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | I59 V60 T66 F67 | I59-C63 PolarHBondContact O-N 3.06Å; I59-C63 PolarHBondContact O-SG 3.06Å; I59-C63 VanDerWaalsContact O-SG 3.32Å; V60-C63 PolarHBondContact O-N 3.08Å; C63-T66 PolarHBondContact O-N 3.36Å; C63-F67 WeakPolarHBondContact O-CB 3.29Å; C63-F67 PolarHBondContact O-N 3.04Å |
| 64 | L | 92.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.2 | -72.7 | 178.7 | 0 | 0 | 0 | 112.7 | V60 I62 F67 L68 L95 I105 L108 L109 | V60-L64 HydrophobicContact CG1-CD1 4.01Å; V60-L64 HydrophobicContact CG1-CG 4.35Å; V60-L64 WeakPolarHBondContact O-CG 3.15Å; V60-L64 PolarHBondContact O-N 3.35Å; I62-L64 PolarHBondContact O-N 2.92Å; L64-F67 PolarHBondContact O-N 3.35Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 3.08Å; L64-L95 HydrophobicContact CD1-CD1 4.18Å; L64-L95 HydrophobicContact CD2-CD1 3.9Å; L64-L95 HydrophobicContact CG-CD1 4.23Å; L64-I105 HydrophobicContact CD1-CD1 3.48Å; L64-I105 VanDerWaalsContact CD1-CD1 3.48Å; L64-L108 HydrophobicContact CB-CB 4.21Å; L64-L108 HydrophobicContact CB-CD1 3.86Å; L64-L108 HydrophobicContact CD1-CB 4.03Å; L64-L108 HydrophobicContact CD1-CD1 3.81Å; L64-L109 HydrophobicContact CD2-CD2 3.71Å; L64-L109 HydrophobicContact CD2-CG 4.31Å |
| 65 | K | 91.5 | Very high | 89.7 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 50% | 0.504 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.2 | -78.3 | 179.9 | 170.7 | -172.2 | 0 | 112 | K61 I62 L68 E69 L108 | K61-K65 HydrophobicContact CG-CD 4.44Å; K61-K65 WeakPolarHBondContact O-CB 3.39Å; K61-K65 VanDerWaalsContact O-CG 3.27Å; K61-K65 WeakPolarHBondContact O-CG 3.44Å; K61-K65 PolarHBondContact O-N 3.01Å; I62-K65 PolarHBondContact O-N 3.3Å; K65-L68 PolarHBondContact O-N 2.97Å; K65-E69 PolarHBondContact O-N 2.84Å; K65-E69 VanDerWaalsContact O-N 3.12Å; K65-L108 HydrophobicContact CG-CD2 4.27Å |
| 66 | T | 93.4 | Very high | 89.5 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111 | I62 C63 E69 V70 | I62-T66 WeakPolarHBondContact O-CB 3.48Å; I62-T66 PolarHBondContact O-N 3.46Å; I62-T66 PolarHBondContact O-OG1 3.3Å; C63-T66 PolarHBondContact O-N 3.36Å; T66-E69 PolarHBondContact O-N 3.21Å; T66-V70 WeakPolarHBondContact O-CG2 3.3Å; T66-V70 PolarHBondContact O-N 2.76Å |
| 67 | F | 92.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 25% | 0.254 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 176.4 | -179.6 | -137.3 | 0 | 0 | 0 | 111.9 | C63 L64 E69 V70 V71 L84 L91 V112 | C63-F67 WeakPolarHBondContact O-CB 3.29Å; C63-F67 PolarHBondContact O-N 3.04Å; L64-F67 PolarHBondContact O-N 3.35Å; F67-E69 VanDerWaalsContact C-N 3.29Å; F67-E69 PolarHBondContact O-N 3.02Å; F67-V70 PolarHBondContact O-N 3.06Å; F67-V71 HydrophobicContact CD2-CG2 4.1Å; F67-V71 HydrophobicContact CE2-CG2 3.88Å; F67-V71 HydrophobicContact CZ-CG2 4.26Å; F67-V71 VanDerWaalsContact O-CG2 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 2.95Å; F67-L84 HydrophobicContact CE1-CD1 4.31Å; F67-L84 HydrophobicContact CE2-CD1 4.11Å; F67-L84 HydrophobicContact CZ-CD1 3.46Å; F67-L84 VanDerWaalsContact CZ-CD1 3.46Å; F67-L91 HydrophobicContact CD1-CD1 4.37Å; F67-L91 HydrophobicContact CE1-CD1 4Å; F67-V112 HydrophobicContact CD1-CG1 3.97Å; F67-V112 HydrophobicContact CD1-CG2 3.85Å; F67-V112 HydrophobicContact CE1-CB 4.46Å; F67-V112 HydrophobicContact CE1-CG1 3.62Å; F67-V112 HydrophobicContact CE1-CG2 4.27Å; F67-V112 HydrophobicContact CZ-CG1 4.1Å |
| 68 | L | 91.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 69 Ų | 69 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.8 | -45.3 | 172.5 | 176.7 | 66.8 | 0 | 0 | 0 | 112.2 | L64 K65 V71 R72 K111 V112 | L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 3.08Å; K65-L68 PolarHBondContact O-N 2.97Å; L68-V71 PolarHBondContact O-N 3.32Å; L68-R72 PolarHBondContact O-N 3.43Å; L68-K111 VanDerWaalsContact CD1-C 3.5Å; L68-K111 HydrophobicContact CD1-CB 4.07Å; L68-K111 VanDerWaalsContact CD1-O 3.3Å; L68-K111 WeakPolarHBondContact CD1-O 3.49Å; L68-K111 HydrophobicContact CD2-CB 4.31Å; L68-V112 HydrophobicContact CB-CG2 3.87Å; L68-V112 HydrophobicContact CD1-CB 4.4Å; L68-V112 HydrophobicContact CD1-CG2 3.99Å |
| 69 | E | 90.6 | Very high | 88.9 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 179.3 | -179.9 | 59.5 | -172.6 | 0 | 0 | 112.1 | K65 T66 F67 V71 R72 L73 | K65-E69 PolarHBondContact O-N 2.84Å; K65-E69 VanDerWaalsContact O-N 3.12Å; T66-E69 PolarHBondContact O-N 3.21Å; F67-E69 VanDerWaalsContact C-N 3.29Å; F67-E69 PolarHBondContact O-N 3.02Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 3.19Å; E69-R72 WeakPolarHBondContact O-CB 3.38Å; E69-R72 PolarHBondContact O-N 2.66Å; E69-R72 IonicContact OE1-CZ 3.59Å; E69-R72 IonicContact OE1-NE 2.82Å; E69-R72 IonicContact OE1-NH2 2.71Å; E69-R72 PolarHBondContact OE1-NH2 2.84Å; E69-R72 IonicContact OE2-CZ 3.56Å; E69-R72 IonicContact OE2-NE 3.57Å; E69-R72 PolarHBondContact OE2-NE 3.38Å; E69-R72 IonicContact OE2-NH2 3.49Å; E69-R72 PolarHBondContact OE2-NH2 3.34Å; E69-L73 HydrophobicContact CG-CD1 4.42Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 2.89Å; E69-L73 VanDerWaalsContact O-N 3.14Å |
| 70 | V | 90.8 | Very high | 88.6 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | T66 F67 R72 L73 R74 | T66-V70 WeakPolarHBondContact O-CG2 3.3Å; T66-V70 PolarHBondContact O-N 2.76Å; F67-V70 PolarHBondContact O-N 3.06Å; V70-R72 VanDerWaalsContact C-N 3.35Å; V70-R72 PolarHBondContact O-N 3.49Å; V70-L73 PolarHBondContact O-N 3.27Å; V70-R74 HydrophobicContact CG1-CG 4.5Å; V70-R74 VanDerWaalsContact O-CG 3.28Å; V70-R74 WeakPolarHBondContact O-CG 3.29Å; V70-R74 PolarHBondContact O-N 3.33Å |
| 71 | V | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | F67 L68 E69 L73 R74 Y76 L84 V112 A116 | F67-V71 HydrophobicContact CD2-CG2 4.1Å; F67-V71 HydrophobicContact CE2-CG2 3.88Å; F67-V71 HydrophobicContact CZ-CG2 4.26Å; F67-V71 VanDerWaalsContact O-CG2 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 2.95Å; L68-V71 PolarHBondContact O-N 3.32Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 3.19Å; V71-L73 PolarHBondContact O-N 3.07Å; V71-R74 PolarHBondContact O-N 3.14Å; V71-R74 VanDerWaalsContact O-N 3.13Å; V71-Y76 WeakPolarHBondContact CA-OH 3.49Å; V71-Y76 HydrophobicContact CB-CE2 4.33Å; V71-Y76 HydrophobicContact CG1-CE2 3.67Å; V71-Y76 VanDerWaalsContact CG2-OH 3.28Å; V71-Y76 WeakPolarHBondContact CG2-OH 3.43Å; V71-Y76 WeakPolarHBondContact O-CE2 3.46Å; V71-L84 HydrophobicContact CG1-CD2 4.2Å; V71-L84 HydrophobicContact CG2-CD1 4.19Å; V71-L84 HydrophobicContact CG2-CD2 4.45Å; V71-V112 HydrophobicContact CB-CG1 4.29Å; V71-V112 HydrophobicContact CG1-CG1 4.28Å; V71-V112 HydrophobicContact CG2-CG1 3.67Å; V71-A116 HydrophobicContact CG1-CB 3.63Å |
| 72 | R | 88.8 | Confident | 88.1 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 177.9 | -166.2 | -169.9 | 67.2 | 75.8 | 1 | 112.9 | L68 E69 V70 R119 | L68-R72 PolarHBondContact O-N 3.43Å; E69-R72 WeakPolarHBondContact O-CB 3.38Å; E69-R72 PolarHBondContact O-N 2.66Å; E69-R72 IonicContact OE1-CZ 3.59Å; E69-R72 IonicContact OE1-NE 2.82Å; E69-R72 IonicContact OE1-NH2 2.71Å; E69-R72 PolarHBondContact OE1-NH2 2.84Å; E69-R72 IonicContact OE2-CZ 3.56Å; E69-R72 IonicContact OE2-NE 3.57Å; E69-R72 PolarHBondContact OE2-NE 3.38Å; E69-R72 IonicContact OE2-NH2 3.49Å; E69-R72 PolarHBondContact OE2-NH2 3.34Å; V70-R72 VanDerWaalsContact C-N 3.35Å; V70-R72 PolarHBondContact O-N 3.49Å; R72-R119 PolarHBondContact O-NE 3.34Å; R72-R119 PolarHBondContact O-NH2 3.3Å |
| 73 | L | 87.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 66.2 Ų | 66.2 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -81.6 | -14.8 | 179.9 | -66.8 | 175.1 | 0 | 0 | 0 | 113.5 | E69 V70 V71 | E69-L73 HydrophobicContact CG-CD1 4.42Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 2.89Å; E69-L73 VanDerWaalsContact O-N 3.14Å; V70-L73 PolarHBondContact O-N 3.27Å; V71-L73 PolarHBondContact O-N 3.07Å |
| 74 | R | 84.1 | Confident | 87.6 | Confident | 105 Ų | 105 | 63 Ų | 63 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -97.7 | 152.7 | 179.4 | -63.9 | -71.1 | -178.1 | 171.4 | 0.5 | 111.3 | V70 V71 Y76 R119 | V70-R74 HydrophobicContact CG1-CG 4.5Å; V70-R74 VanDerWaalsContact O-CG 3.28Å; V70-R74 WeakPolarHBondContact O-CG 3.29Å; V70-R74 PolarHBondContact O-N 3.33Å; V71-R74 PolarHBondContact O-N 3.14Å; V71-R74 VanDerWaalsContact O-N 3.13Å; R74-Y76 HydrophobicContact CB-CE2 3.81Å; R74-R119 WeakPolarHBondContact O-CB 3.33Å |
| 75 | T | 84.7 | Confident | 87.3 | Confident | 89 Ų | 89 | 64 Ų | 64 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | trans | -103.7 | 135.3 | 167.2 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 76 | Y | 83.7 | Confident | 87 | Confident | 39 Ų | 39 | 60 Ų | 60 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -107.2 | 147.3 | -176.9 | -67.7 | -90.5 | 0 | 0 | 0 | 110.9 | V71 R74 A116 R119 C120 V121 | V71-Y76 WeakPolarHBondContact CA-OH 3.49Å; V71-Y76 HydrophobicContact CB-CE2 4.33Å; V71-Y76 HydrophobicContact CG1-CE2 3.67Å; V71-Y76 VanDerWaalsContact CG2-OH 3.28Å; V71-Y76 WeakPolarHBondContact CG2-OH 3.43Å; V71-Y76 WeakPolarHBondContact O-CE2 3.46Å; R74-Y76 HydrophobicContact CB-CE2 3.81Å; Y76-A116 HydrophobicContact CD2-CB 3.99Å; Y76-A116 HydrophobicContact CE2-CB 4.1Å; Y76-A116 HydrophobicContact CG-CB 4.49Å; Y76-R119 PolarHBondContact N-O 3.29Å; Y76-C120 WeakPolarHBondContact O-CA 3.25Å; Y76-C120 PolarHBondContact O-SG 3.33Å; Y76-V121 PolarHBondContact O-N 3.2Å |
| 77 | S | 84.5 | Confident | 86.8 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | trans | -92.7 | 170.9 | 162.4 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | F79 G80 L81 | S77-F79 PolarHBondContact O-N 2.86Å; S77-G80 PolarHBondContact O-N 3.22Å; S77-L81 PolarHBondContact O-N 3.41Å | ||
| 78 | K | 82.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 27% | 0.265 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -46 | -53.6 | 176 | 168.5 | 170.7 | 165.1 | 172.2 | 0 | 113.6 | L81 Q82 Q124 | K78-L81 PolarHBondContact O-N 2.9Å; K78-Q82 WeakPolarHBondContact O-CG 3.5Å; K78-Q82 PolarHBondContact O-N 3.37Å; K78-Q124 HydrophobicContact CD-CB 4.27Å; K78-Q124 HydrophobicContact CG-CB 4.19Å |
| 79 | F | 83.8 | Confident | 86.3 | Confident | 149 Ų | 149 | 57 Ų | 57 | 65% | 0.654 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.7 | -31.5 | -179.4 | -60 | -68.3 | 0 | 0 | 0 | 112.7 | S77 L81 Q82 Q83 | S77-F79 PolarHBondContact O-N 2.86Å; F79-L81 VanDerWaalsContact C-N 3.33Å; F79-Q82 PolarHBondContact O-N 3.25Å; F79-Q83 PolarHBondContact O-N 3.13Å |
| 80 | G | 84.9 | Confident | 86.1 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S77 L84 | S77-G80 PolarHBondContact O-N 3.22Å; G80-L84 WeakPolarHBondContact O-CB 3.5Å; G80-L84 PolarHBondContact O-N 3.45Å; G80-L84 VanDerWaalsContact O-N 3.08Å |
| 81 | L | 84.4 | Confident | 86 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 175.2 | -179.3 | 61.3 | 0 | 0 | 0 | 112 | S77 K78 F79 L84 Q85 A116 V117 C120 P123 L125 | S77-L81 PolarHBondContact O-N 3.41Å; K78-L81 PolarHBondContact O-N 2.9Å; F79-L81 VanDerWaalsContact C-N 3.33Å; L81-L84 WeakPolarHBondContact O-CB 3.26Å; L81-L84 PolarHBondContact O-N 3.4Å; L81-Q85 WeakPolarHBondContact O-CG 3.02Å; L81-Q85 PolarHBondContact O-N 2.96Å; L81-A116 HydrophobicContact CD1-CB 3.68Å; L81-V117 HydrophobicContact CD1-CG2 4.06Å; L81-V117 HydrophobicContact CD2-CG2 4.13Å; L81-C120 HydrophobicContact CD2-CB 4.33Å; L81-P123 HydrophobicContact CD2-CB 4.11Å; L81-L125 HydrophobicContact CD1-CD2 4.27Å; L81-L125 HydrophobicContact CD2-CD2 3.84Å; L81-L125 HydrophobicContact CG-CD2 4.03Å |
| 82 | Q | 85 | Confident | 85.8 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.4 | -68.3 | 178.9 | -22.5 | 0 | 0 | 112.2 | K78 F79 L84 Q85 I86 M126 | K78-Q82 WeakPolarHBondContact O-CG 3.5Å; K78-Q82 PolarHBondContact O-N 3.37Å; F79-Q82 PolarHBondContact O-N 3.25Å; Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 PolarHBondContact O-N 3.45Å; Q82-Q85 WeakPolarHBondContact O-CB 3.27Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q82-I86 PolarHBondContact O-N 2.91Å; Q82-M126 HydrophobicContact CG-CB 4.28Å |
| 83 | Q | 84.4 | Confident | 85.5 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.3 | -173.9 | 61.8 | 37.4 | 0 | 0 | 110.8 | F79 Q85 I86 D87 | F79-Q83 PolarHBondContact O-N 3.13Å; Q83-Q85 VanDerWaalsContact C-N 3.28Å; Q83-Q85 PolarHBondContact O-N 3.09Å; Q83-I86 PolarHBondContact O-N 2.72Å; Q83-I86 VanDerWaalsContact O-N 3.13Å; Q83-D87 PolarHBondContact NE2-OD1 3.32Å; Q83-D87 PolarHBondContact O-N 3.17Å |
| 84 | L | 88.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 177.3 | -173.6 | 73.7 | 0 | 0 | 0 | 112.4 | F67 V71 G80 L81 Q82 D87 C88 V112 A116 | F67-L84 HydrophobicContact CE1-CD1 4.31Å; F67-L84 HydrophobicContact CE2-CD1 4.11Å; F67-L84 HydrophobicContact CZ-CD1 3.46Å; F67-L84 VanDerWaalsContact CZ-CD1 3.46Å; V71-L84 HydrophobicContact CG1-CD2 4.2Å; V71-L84 HydrophobicContact CG2-CD1 4.19Å; V71-L84 HydrophobicContact CG2-CD2 4.45Å; G80-L84 WeakPolarHBondContact O-CB 3.5Å; G80-L84 PolarHBondContact O-N 3.45Å; G80-L84 VanDerWaalsContact O-N 3.08Å; L81-L84 WeakPolarHBondContact O-CB 3.26Å; L81-L84 PolarHBondContact O-N 3.4Å; Q82-L84 VanDerWaalsContact C-N 3.3Å; Q82-L84 PolarHBondContact O-N 3.45Å; L84-D87 PolarHBondContact O-N 2.9Å; L84-C88 WeakPolarHBondContact O-CB 3.3Å; L84-C88 PolarHBondContact O-N 2.9Å; L84-C88 PolarHBondContact O-SG 3.41Å; L84-V112 HydrophobicContact CD1-CG1 4.24Å; L84-V112 HydrophobicContact CD2-CG1 4.18Å; L84-V112 HydrophobicContact CG-CG1 4.45Å; L84-A116 HydrophobicContact CD2-CB 3.13Å |
| 85 | Q | 86.2 | Confident | 85.4 | Confident | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 175.1 | -72 | -179.2 | -67.8 | 0 | 0 | 112.1 | L81 Q82 Q83 C88 H89 V113 L125 | L81-Q85 WeakPolarHBondContact O-CG 3.02Å; L81-Q85 PolarHBondContact O-N 2.96Å; Q82-Q85 WeakPolarHBondContact O-CB 3.27Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q83-Q85 VanDerWaalsContact C-N 3.28Å; Q83-Q85 PolarHBondContact O-N 3.09Å; Q85-C88 PolarHBondContact O-N 3.42Å; Q85-H89 WeakPolarHBondContact O-CB 3.37Å; Q85-H89 PolarHBondContact O-N 3.29Å; Q85-V113 HydrophobicContact CG-CG1 4.24Å; Q85-L125 VanDerWaalsContact CD-CD2 3.45Å; Q85-L125 HydrophobicContact CG-CD2 4.05Å |
| 86 | I | 84.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.9 | -62.5 | 167.7 | 0 | 0 | 0 | 109.6 | Q82 Q83 C88 H89 Y90 M126 V134 | Q82-I86 PolarHBondContact O-N 2.91Å; Q83-I86 PolarHBondContact O-N 2.72Å; Q83-I86 VanDerWaalsContact O-N 3.13Å; I86-C88 VanDerWaalsContact C-N 3.33Å; I86-C88 PolarHBondContact O-N 3.12Å; I86-H89 PolarHBondContact O-N 3.33Å; I86-Y90 WeakPolarHBondContact O-CB 3.37Å; I86-Y90 PolarHBondContact O-N 2.98Å; I86-M126 HydrophobicContact CD1-CE 3.78Å; I86-M126 HydrophobicContact CG1-CE 3.55Å; I86-V134 HydrophobicContact CD1-CG1 4.47Å; I86-V134 HydrophobicContact CG2-CG1 4.12Å |
| 87 | D | 89.1 | Confident | 85.4 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 179.2 | -62.6 | -16.1 | 0 | 0 | 0 | 111.4 | Q83 L84 Y90 L91 | Q83-D87 PolarHBondContact NE2-OD1 3.32Å; Q83-D87 PolarHBondContact O-N 3.17Å; L84-D87 PolarHBondContact O-N 2.9Å; D87-Y90 PolarHBondContact O-N 3.44Å; D87-L91 WeakPolarHBondContact O-CB 3.46Å; D87-L91 VanDerWaalsContact O-CG 3.27Å; D87-L91 WeakPolarHBondContact O-CG 3.24Å; D87-L91 PolarHBondContact O-N 2.92Å |
| 88 | C | 89.7 | Confident | 85.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 177.4 | -70 | 0 | 0 | 0 | 0 | 111.7 | L84 Q85 I86 Y90 L91 Q92 L109 V113 | L84-C88 WeakPolarHBondContact O-CB 3.3Å; L84-C88 PolarHBondContact O-N 2.9Å; L84-C88 PolarHBondContact O-SG 3.41Å; Q85-C88 PolarHBondContact O-N 3.42Å; I86-C88 VanDerWaalsContact C-N 3.33Å; I86-C88 PolarHBondContact O-N 3.12Å; C88-Y90 VanDerWaalsContact C-N 3.33Å; C88-Y90 PolarHBondContact O-N 3.09Å; C88-L91 PolarHBondContact O-N 2.91Å; C88-Q92 PolarHBondContact O-N 3.28Å; C88-L109 HydrophobicContact CB-CD2 4.23Å; C88-L109 WeakPolarHBondContact O-CD1 3.48Å; C88-V113 HydrophobicContact CB-CG2 3.97Å |
| 89 | H | 84.9 | Confident | 85.3 | Confident | 46 Ų | 46 | 62 Ų | 62 | 21% | 0.213 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.3 | -170.8 | 62.2 | 0 | 0 | 0 | 111.7 | Q85 I86 Q92 L93 V131 C135 | Q85-H89 WeakPolarHBondContact O-CB 3.37Å; Q85-H89 PolarHBondContact O-N 3.29Å; I86-H89 PolarHBondContact O-N 3.33Å; H89-Q92 WeakPolarHBondContact O-CB 3.31Å; H89-Q92 PolarHBondContact O-N 3.02Å; H89-L93 WeakPolarHBondContact O-CG 3.39Å; H89-L93 PolarHBondContact O-N 3.16Å; H89-V131 HydrophobicContact CB-CG1 3.43Å; H89-V131 VanDerWaalsContact CB-CG1 3.43Å; H89-C135 VanDerWaalsContact CD2-SG 3.57Å |
| 90 | Y | 84.7 | Confident | 85.1 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 172.5 | -171.1 | -93.5 | 0 | 0 | 0 | 110.8 | I86 D87 C88 Q92 L93 F94 | I86-Y90 WeakPolarHBondContact O-CB 3.37Å; I86-Y90 PolarHBondContact O-N 2.98Å; D87-Y90 PolarHBondContact O-N 3.44Å; C88-Y90 VanDerWaalsContact C-N 3.33Å; C88-Y90 PolarHBondContact O-N 3.09Å; Y90-Q92 PolarHBondContact O-N 3.36Å; Y90-L93 WeakPolarHBondContact O-CB 3.46Å; Y90-L93 PolarHBondContact O-N 3.36Å; Y90-F94 AromaticContact CD1-CD2 3.81Å; Y90-F94 HydrophobicContact CD1-CD2 3.81Å; Y90-F94 AromaticContact CD1-CE2 3.98Å; Y90-F94 HydrophobicContact CD1-CE2 3.98Å; Y90-F94 HydrophobicContact CD2-CD2 4.32Å; Y90-F94 AromaticContact CD2-CE2 3.78Å; Y90-F94 HydrophobicContact CD2-CE2 3.78Å; Y90-F94 AromaticContact CE1-CD2 3.54Å; Y90-F94 HydrophobicContact CE1-CD2 3.54Å; Y90-F94 AromaticContact CE1-CE2 3.47Å; Y90-F94 HydrophobicContact CE1-CE2 3.47Å; Y90-F94 VanDerWaalsContact CE1-CE2 3.47Å; Y90-F94 HydrophobicContact CE1-CG 4.39Å; Y90-F94 HydrophobicContact CE1-CZ 4.2Å; Y90-F94 HydrophobicContact CE2-CD2 4.1Å; Y90-F94 AromaticContact CE2-CE2 3.26Å; Y90-F94 HydrophobicContact CE2-CE2 3.26Å; Y90-F94 AromaticContact CE2-CZ 3.92Å; Y90-F94 HydrophobicContact CE2-CZ 3.92Å; Y90-F94 HydrophobicContact CG-CD2 4.2Å; Y90-F94 HydrophobicContact CG-CE2 4.12Å; Y90-F94 AromaticContact CZ-CD2 3.7Å; Y90-F94 AromaticContact CZ-CE2 3.08Å; Y90-F94 AromaticContact CZ-CZ 3.57Å; Y90-F94 VanDerWaalsContact O-CD2 3.3Å; Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.88Å; Y90-F94 WeakPolarHBondContact OH-CE2 3.35Å; Y90-F94 VanDerWaalsContact OH-CZ 3.31Å; Y90-F94 WeakPolarHBondContact OH-CZ 3.37Å |
| 91 | L | 88.4 | Confident | 85.1 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 177.3 | -73.7 | 174.2 | 0 | 0 | 0 | 112.4 | F67 D87 C88 L93 F94 L95 L109 | F67-L91 HydrophobicContact CD1-CD1 4.37Å; F67-L91 HydrophobicContact CE1-CD1 4Å; D87-L91 WeakPolarHBondContact O-CB 3.46Å; D87-L91 VanDerWaalsContact O-CG 3.27Å; D87-L91 WeakPolarHBondContact O-CG 3.24Å; D87-L91 PolarHBondContact O-N 2.92Å; C88-L91 PolarHBondContact O-N 2.91Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.91Å; L91-F94 PolarHBondContact O-N 2.77Å; L91-L95 HydrophobicContact CB-CD1 4.06Å; L91-L95 HydrophobicContact CD2-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.31Å; L91-L109 HydrophobicContact CB-CD1 4.32Å; L91-L109 HydrophobicContact CB-CD2 4.18Å; L91-L109 HydrophobicContact CD1-CD2 4.16Å |
| 92 | Q | 85.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175 | -174.8 | -171.7 | -17.6 | 0 | 0 | 111.8 | C88 H89 Y90 F94 L106 L109 | C88-Q92 PolarHBondContact O-N 3.28Å; H89-Q92 WeakPolarHBondContact O-CB 3.31Å; H89-Q92 PolarHBondContact O-N 3.02Å; Y90-Q92 PolarHBondContact O-N 3.36Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 2.97Å; Q92-L106 HydrophobicContact CG-CD2 3.76Å; Q92-L109 HydrophobicContact CB-CD1 3.78Å |
| 93 | L | 83.2 | Confident | 85.3 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -22.7 | -179.3 | -66.8 | 173 | 0 | 0 | 0 | 114.3 | H89 Y90 L91 W96 C135 | H89-L93 WeakPolarHBondContact O-CG 3.39Å; H89-L93 PolarHBondContact O-N 3.16Å; Y90-L93 WeakPolarHBondContact O-CB 3.46Å; Y90-L93 PolarHBondContact O-N 3.36Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.91Å; L93-W96 VanDerWaalsContact C-CD1 3.44Å; L93-W96 PolarHBondContact O-NE1 3.43Å; L93-C135 HydrophobicContact CD1-CB 3.79Å |
| 94 | F | 85.3 | Confident | 85.5 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -101 | -34.1 | 179.1 | -73.9 | -89.9 | 0 | 0 | 0 | 113.2 | Y90 L91 Q92 | Y90-F94 AromaticContact CD1-CD2 3.81Å; Y90-F94 HydrophobicContact CD1-CD2 3.81Å; Y90-F94 AromaticContact CD1-CE2 3.98Å; Y90-F94 HydrophobicContact CD1-CE2 3.98Å; Y90-F94 HydrophobicContact CD2-CD2 4.32Å; Y90-F94 AromaticContact CD2-CE2 3.78Å; Y90-F94 HydrophobicContact CD2-CE2 3.78Å; Y90-F94 AromaticContact CE1-CD2 3.54Å; Y90-F94 HydrophobicContact CE1-CD2 3.54Å; Y90-F94 AromaticContact CE1-CE2 3.47Å; Y90-F94 HydrophobicContact CE1-CE2 3.47Å; Y90-F94 VanDerWaalsContact CE1-CE2 3.47Å; Y90-F94 HydrophobicContact CE1-CG 4.39Å; Y90-F94 HydrophobicContact CE1-CZ 4.2Å; Y90-F94 HydrophobicContact CE2-CD2 4.1Å; Y90-F94 AromaticContact CE2-CE2 3.26Å; Y90-F94 HydrophobicContact CE2-CE2 3.26Å; Y90-F94 AromaticContact CE2-CZ 3.92Å; Y90-F94 HydrophobicContact CE2-CZ 3.92Å; Y90-F94 HydrophobicContact CG-CD2 4.2Å; Y90-F94 HydrophobicContact CG-CE2 4.12Å; Y90-F94 AromaticContact CZ-CD2 3.7Å; Y90-F94 AromaticContact CZ-CE2 3.08Å; Y90-F94 AromaticContact CZ-CZ 3.57Å; Y90-F94 VanDerWaalsContact O-CD2 3.3Å; Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.88Å; Y90-F94 WeakPolarHBondContact OH-CE2 3.35Å; Y90-F94 VanDerWaalsContact OH-CZ 3.31Å; Y90-F94 WeakPolarHBondContact OH-CZ 3.37Å; L91-F94 PolarHBondContact O-N 2.77Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 2.97Å |
| 95 | L | 85.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.8 | -23.3 | -171.2 | -68 | 177.8 | 0 | 0 | 0 | 114.3 | V60 L64 L91 R97 F98 I105 | V60-L95 HydrophobicContact CG1-CB 4.4Å; V60-L95 HydrophobicContact CG1-CD1 4.03Å; V60-L95 HydrophobicContact CG1-CD2 3.96Å; V60-L95 HydrophobicContact CG1-CG 4.36Å; V60-L95 HydrophobicContact CG2-CD2 4.08Å; L64-L95 HydrophobicContact CD1-CD1 4.18Å; L64-L95 HydrophobicContact CD2-CD1 3.9Å; L64-L95 HydrophobicContact CG-CD1 4.23Å; L91-L95 HydrophobicContact CB-CD1 4.06Å; L91-L95 HydrophobicContact CD2-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.31Å; L95-R97 PolarHBondContact O-N 3.49Å; L95-R97 VanDerWaalsContact O-N 3.11Å; L95-F98 HydrophobicContact CD2-CD2 4.27Å; L95-F98 PolarHBondContact O-N 2.87Å; L95-I105 HydrophobicContact CB-CD1 4.1Å; L95-I105 HydrophobicContact CB-CG1 4.42Å; L95-I105 HydrophobicContact CB-CG2 4.17Å; L95-I105 HydrophobicContact CD1-CD1 4.48Å |
| 96 | W | 83.8 | Confident | 85.7 | Confident | 129 Ų | 129 | 69 Ų | 69 | 49% | 0.489 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -58.1 | -26.8 | 179.5 | 71.6 | -90 | 0 | 0 | 0 | 113 | L93 F98 V99 | L93-W96 VanDerWaalsContact C-CD1 3.44Å; L93-W96 PolarHBondContact O-NE1 3.43Å; W96-F98 PolarHBondContact O-N 2.84Å; W96-V99 VanDerWaalsContact O-O 3.04Å |
| 97 | R | 83.1 | Confident | 86 | Confident | 183 Ų | 183 | 72.1 Ų | 72.1 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -71.1 | -16.7 | 178.4 | -59.1 | 174.3 | 70.1 | 104.4 | -1.8 | 113.6 | L95 | L95-R97 PolarHBondContact O-N 3.49Å; L95-R97 VanDerWaalsContact O-N 3.11Å |
| 98 | F | 84 | Confident | 86.1 | Confident | 104 Ų | 104 | 70 Ų | 70 | 46% | 0.456 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -104.8 | -10.9 | -174 | -64 | -60.8 | 0 | 0 | 0 | 113.6 | T56 T57 V60 L95 W96 | T56-F98 HydrophobicContact CG2-CB 3.67Å; T56-F98 HydrophobicContact CG2-CD1 3.64Å; T56-F98 HydrophobicContact CG2-CG 3.89Å; T57-F98 PolarHBondContact OG1-O 3.31Å; V60-F98 HydrophobicContact CG2-CB 4.02Å; L95-F98 HydrophobicContact CD2-CD2 4.27Å; L95-F98 PolarHBondContact O-N 2.87Å; W96-F98 PolarHBondContact O-N 2.84Å |
| 99 | V | 81.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | trans | -126.6 | 133 | -175.6 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | T57 V60 W96 D101 L104 I105 | T57-V99 HydrophobicContact CG2-CB 4.47Å; T57-V99 HydrophobicContact CG2-CG1 3.84Å; T57-V99 HydrophobicContact CG2-CG2 4.14Å; V60-V99 HydrophobicContact CB-CG2 4.13Å; V60-V99 HydrophobicContact CG1-CG2 4Å; V60-V99 HydrophobicContact CG2-CG2 4.48Å; W96-V99 VanDerWaalsContact O-O 3.04Å; V99-D101 VanDerWaalsContact C-N 3.34Å; V99-D101 VanDerWaalsContact CG1-O 3.26Å; V99-D101 WeakPolarHBondContact CG1-O 3.35Å; V99-L104 HydrophobicContact CG1-CD2 4.48Å; V99-I105 HydrophobicContact CB-CD1 4.3Å; V99-I105 HydrophobicContact CB-CG1 4.12Å; V99-I105 HydrophobicContact CG1-CG1 4.41Å; V99-I105 HydrophobicContact CG2-CD1 3.74Å; V99-I105 HydrophobicContact CG2-CG1 4.11Å | ||
| 100 | V | 80.1 | Confident | 86.4 | Confident | 125 Ų | 125 | 73 Ų | 73 | 76% | 0.758 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -68 | -38.1 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | I53 | I53-V100 HydrophobicContact CG2-CG2 3.34Š|
| 101 | D | 84.7 | Confident | 86.8 | Confident | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | trans | -98.1 | 97.1 | -179.9 | -180 | 13.3 | 0 | 0 | 0 | 110.9 | V99 S103 L104 | V99-D101 VanDerWaalsContact C-N 3.34Å; V99-D101 VanDerWaalsContact CG1-O 3.26Å; V99-D101 WeakPolarHBondContact CG1-O 3.35Å; D101-S103 VanDerWaalsContact CG-OG 3.24Å; D101-S103 PolarHBondContact O-N 3.39Å; D101-S103 VanDerWaalsContact OD1-CB 3.26Å; D101-S103 WeakPolarHBondContact OD1-CB 3.42Å; D101-S103 PolarHBondContact OD1-N 3.25Å; D101-S103 PolarHBondContact OD1-OG 2.87Å; D101-S103 PolarHBondContact OD2-OG 3.45Å; D101-L104 HydrophobicContact CB-CB 4.36Å; D101-L104 WeakPolarHBondContact O-CB 3.24Å; D101-L104 PolarHBondContact O-N 3.46Å; D101-L104 VanDerWaalsContact O-N 3.17Å | ||
| 102 | E | 85.3 | Confident | 86.9 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.1 | -33.9 | 176.1 | -171.5 | -178.9 | 170.1 | 0 | 0 | 112 | L104 I105 L106 | E102-L104 PolarHBondContact O-N 3.49Å; E102-I105 PolarHBondContact O-N 3.11Å; E102-L106 HydrophobicContact CG-CD1 4.27Å; E102-L106 HydrophobicContact CG-CG 4.37Å; E102-L106 WeakPolarHBondContact O-CG 3.3Å; E102-L106 PolarHBondContact O-N 3.04Å; E102-L106 VanDerWaalsContact O-N 3.11Å |
| 103 | S | 87.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -29.2 | -178.8 | 82.5 | 0 | 0 | 0 | 0 | 112.3 | D101 I105 L106 N107 | D101-S103 VanDerWaalsContact CG-OG 3.24Å; D101-S103 PolarHBondContact O-N 3.39Å; D101-S103 VanDerWaalsContact OD1-CB 3.26Å; D101-S103 WeakPolarHBondContact OD1-CB 3.42Å; D101-S103 PolarHBondContact OD1-N 3.25Å; D101-S103 PolarHBondContact OD1-OG 2.87Å; D101-S103 PolarHBondContact OD2-OG 3.45Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.2Å; S103-L106 PolarHBondContact O-N 3.17Å; S103-N107 VanDerWaalsContact O-CB 3.24Å; S103-N107 WeakPolarHBondContact O-CB 3.4Å; S103-N107 PolarHBondContact O-N 3.21Å; S103-N107 PolarHBondContact O-ND2 3.2Å |
| 104 | L | 88.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.1 | -177.3 | 150.6 | 0 | 0 | 0 | 111.4 | K61 V99 D101 E102 L108 | K61-L104 HydrophobicContact CD-CD1 4.25Å; K61-L104 HydrophobicContact CG-CD2 4.48Å; V99-L104 HydrophobicContact CG1-CD2 4.48Å; D101-L104 HydrophobicContact CB-CB 4.36Å; D101-L104 WeakPolarHBondContact O-CB 3.24Å; D101-L104 PolarHBondContact O-N 3.46Å; D101-L104 VanDerWaalsContact O-N 3.17Å; E102-L104 PolarHBondContact O-N 3.49Å; L104-L108 HydrophobicContact CD2-CD1 3.6Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.22Å |
| 105 | I | 89.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.3 | -47.7 | 178.8 | -60.3 | -62.1 | 0 | 0 | 0 | 109.9 | V60 L64 L95 V99 E102 S103 N107 L108 L109 | V60-I105 HydrophobicContact CG1-CD1 3.47Å; V60-I105 VanDerWaalsContact CG1-CD1 3.47Å; L64-I105 HydrophobicContact CD1-CD1 3.48Å; L64-I105 VanDerWaalsContact CD1-CD1 3.48Å; L95-I105 HydrophobicContact CB-CD1 4.1Å; L95-I105 HydrophobicContact CB-CG1 4.42Å; L95-I105 HydrophobicContact CB-CG2 4.17Å; L95-I105 HydrophobicContact CD1-CD1 4.48Å; V99-I105 HydrophobicContact CB-CD1 4.3Å; V99-I105 HydrophobicContact CB-CG1 4.12Å; V99-I105 HydrophobicContact CG1-CG1 4.41Å; V99-I105 HydrophobicContact CG2-CD1 3.74Å; V99-I105 HydrophobicContact CG2-CG1 4.11Å; E102-I105 PolarHBondContact O-N 3.11Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.2Å; I105-N107 PolarHBondContact O-N 3.41Å; I105-L108 PolarHBondContact O-N 3.42Å; I105-L109 HydrophobicContact CG2-CD1 3.61Å; I105-L109 HydrophobicContact CG2-CG 4.32Å; I105-L109 WeakPolarHBondContact O-CB 3.36Å; I105-L109 WeakPolarHBondContact O-CG 3.44Å; I105-L109 PolarHBondContact O-N 2.59Å |
| 106 | L | 90.1 | Very high | 87.8 | Confident | 67 Ų | 67 | 64 Ų | 64 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.2 | -50.6 | 178.1 | -63.3 | 176.7 | 0 | 0 | 0 | 111.6 | Q92 E102 S103 L108 L109 D110 | Q92-L106 HydrophobicContact CG-CD2 3.76Å; E102-L106 HydrophobicContact CG-CD1 4.27Å; E102-L106 HydrophobicContact CG-CG 4.37Å; E102-L106 WeakPolarHBondContact O-CG 3.3Å; E102-L106 PolarHBondContact O-N 3.04Å; E102-L106 VanDerWaalsContact O-N 3.11Å; S103-L106 PolarHBondContact O-N 3.17Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.21Å; L106-L109 PolarHBondContact O-N 3.04Å; L106-D110 VanDerWaalsContact O-CB 3.31Å; L106-D110 WeakPolarHBondContact O-CB 3.35Å; L106-D110 PolarHBondContact O-N 3.28Å |
| 107 | N | 90.5 | Very high | 88 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -34 | -179.1 | -75 | -43.8 | 0 | 0 | 0 | 113.1 | S103 I105 K111 | S103-N107 VanDerWaalsContact O-CB 3.24Å; S103-N107 WeakPolarHBondContact O-CB 3.4Å; S103-N107 PolarHBondContact O-N 3.21Å; S103-N107 PolarHBondContact O-ND2 3.2Å; I105-N107 PolarHBondContact O-N 3.41Å; N107-K111 VanDerWaalsContact O-CG 3.29Å; N107-K111 WeakPolarHBondContact O-CG 3.4Å; N107-K111 PolarHBondContact O-N 3.09Å |
| 108 | L | 91.1 | Very high | 88.3 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75 | -43.2 | 178.2 | -75.9 | 171.8 | 0 | 0 | 0 | 111.7 | K61 L64 K65 L104 I105 L106 K111 V112 | K61-L108 HydrophobicContact CG-CD1 4.39Å; L64-L108 HydrophobicContact CB-CB 4.21Å; L64-L108 HydrophobicContact CB-CD1 3.86Å; L64-L108 HydrophobicContact CD1-CB 4.03Å; L64-L108 HydrophobicContact CD1-CD1 3.81Å; K65-L108 HydrophobicContact CG-CD2 4.27Å; L104-L108 HydrophobicContact CD2-CD1 3.6Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.36Å; L104-L108 PolarHBondContact O-N 3.22Å; I105-L108 PolarHBondContact O-N 3.42Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.21Å; L108-K111 WeakPolarHBondContact O-CB 3.46Å; L108-K111 PolarHBondContact O-N 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3Å; L108-V112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 91.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 178.3 | -69.4 | 171.8 | 0 | 0 | 0 | 111.9 | L64 C88 L91 Q92 I105 L106 K111 V112 V113 | L64-L109 HydrophobicContact CD2-CD2 3.71Å; L64-L109 HydrophobicContact CD2-CG 4.31Å; C88-L109 HydrophobicContact CB-CD2 4.23Å; C88-L109 WeakPolarHBondContact O-CD1 3.48Å; L91-L109 HydrophobicContact CB-CD1 4.32Å; L91-L109 HydrophobicContact CB-CD2 4.18Å; L91-L109 HydrophobicContact CD1-CD2 4.16Å; Q92-L109 HydrophobicContact CB-CD1 3.78Å; I105-L109 HydrophobicContact CG2-CD1 3.61Å; I105-L109 HydrophobicContact CG2-CG 4.32Å; I105-L109 WeakPolarHBondContact O-CB 3.36Å; I105-L109 WeakPolarHBondContact O-CG 3.44Å; I105-L109 PolarHBondContact O-N 2.59Å; L106-L109 PolarHBondContact O-N 3.04Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.06Å; L109-V112 WeakPolarHBondContact O-CB 3.28Å; L109-V112 PolarHBondContact O-N 3.11Å; L109-V113 PolarHBondContact O-N 3.2Å |
| 110 | D | 90.7 | Very high | 88.2 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 172.6 | -177.3 | 66.7 | 0 | 0 | 0 | 111.4 | L106 V112 V113 S114 | L106-D110 VanDerWaalsContact O-CB 3.31Å; L106-D110 WeakPolarHBondContact O-CB 3.35Å; L106-D110 PolarHBondContact O-N 3.28Å; D110-V112 VanDerWaalsContact C-N 3.29Å; D110-V112 PolarHBondContact O-N 3.42Å; D110-V113 PolarHBondContact O-N 2.89Å; D110-S114 VanDerWaalsContact O-CB 3.25Å; D110-S114 WeakPolarHBondContact O-CB 3.26Å; D110-S114 PolarHBondContact O-N 3.4Å |
| 111 | K | 91.4 | Very high | 88.2 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -35.6 | 173.2 | -75 | 177.7 | -178.6 | -173.5 | 0 | 112.9 | L68 N107 L108 L109 S115 | L68-K111 VanDerWaalsContact CD1-C 3.5Å; L68-K111 HydrophobicContact CD1-CB 4.07Å; L68-K111 VanDerWaalsContact CD1-O 3.3Å; L68-K111 WeakPolarHBondContact CD1-O 3.49Å; L68-K111 HydrophobicContact CD2-CB 4.31Å; N107-K111 VanDerWaalsContact O-CG 3.29Å; N107-K111 WeakPolarHBondContact O-CG 3.4Å; N107-K111 PolarHBondContact O-N 3.09Å; L108-K111 WeakPolarHBondContact O-CB 3.46Å; L108-K111 PolarHBondContact O-N 3.31Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.06Å; K111-S115 VanDerWaalsContact O-CB 3.23Å; K111-S115 WeakPolarHBondContact O-CB 3.43Å; K111-S115 PolarHBondContact O-N 3.46Å |
| 112 | V | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -52.2 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | F67 L68 V71 L84 L108 L109 D110 S114 S115 A116 | F67-V112 HydrophobicContact CD1-CG1 3.97Å; F67-V112 HydrophobicContact CD1-CG2 3.85Å; F67-V112 HydrophobicContact CE1-CB 4.46Å; F67-V112 HydrophobicContact CE1-CG1 3.62Å; F67-V112 HydrophobicContact CE1-CG2 4.27Å; F67-V112 HydrophobicContact CZ-CG1 4.1Å; L68-V112 HydrophobicContact CB-CG2 3.87Å; L68-V112 HydrophobicContact CD1-CB 4.4Å; L68-V112 HydrophobicContact CD1-CG2 3.99Å; V71-V112 HydrophobicContact CB-CG1 4.29Å; V71-V112 HydrophobicContact CG1-CG1 4.28Å; V71-V112 HydrophobicContact CG2-CG1 3.67Å; L84-V112 HydrophobicContact CD1-CG1 4.24Å; L84-V112 HydrophobicContact CD2-CG1 4.18Å; L84-V112 HydrophobicContact CG-CG1 4.45Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3Å; L108-V112 VanDerWaalsContact O-N 3.08Å; L109-V112 WeakPolarHBondContact O-CB 3.28Å; L109-V112 PolarHBondContact O-N 3.11Å; D110-V112 VanDerWaalsContact C-N 3.29Å; D110-V112 PolarHBondContact O-N 3.42Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.35Å; V112-S115 PolarHBondContact O-N 2.98Å; V112-A116 PolarHBondContact O-N 2.91Å |
| 113 | V | 89.4 | Confident | 87.5 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | Q85 C88 L109 D110 S115 A116 V117 L125 | Q85-V113 HydrophobicContact CG-CG1 4.24Å; C88-V113 HydrophobicContact CB-CG2 3.97Å; L109-V113 PolarHBondContact O-N 3.2Å; D110-V113 PolarHBondContact O-N 2.89Å; V113-S115 PolarHBondContact O-N 3.42Å; V113-A116 WeakPolarHBondContact O-CB 3.17Å; V113-A116 PolarHBondContact O-N 3.49Å; V113-A116 VanDerWaalsContact O-N 3.16Å; V113-V117 HydrophobicContact CG1-CG2 4.37Å; V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 2.94Å; V113-L125 HydrophobicContact CG1-CD2 4.19Å |
| 114 | S | 90 | Very high | 87.1 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | D110 V112 A116 V117 Q118 | D110-S114 VanDerWaalsContact O-CB 3.25Å; D110-S114 WeakPolarHBondContact O-CB 3.26Å; D110-S114 PolarHBondContact O-N 3.4Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.35Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.23Å; S114-V117 PolarHBondContact O-N 3.26Å; S114-Q118 WeakPolarHBondContact O-CG 3.38Å; S114-Q118 PolarHBondContact O-N 2.8Å; S114-Q118 VanDerWaalsContact O-N 3.12Å |
| 115 | S | 90.5 | Very high | 86.5 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | K111 V112 V113 R119 | K111-S115 VanDerWaalsContact O-CB 3.23Å; K111-S115 WeakPolarHBondContact O-CB 3.43Å; K111-S115 PolarHBondContact O-N 3.46Å; V112-S115 PolarHBondContact O-N 2.98Å; V113-S115 PolarHBondContact O-N 3.42Å; S115-R119 VanDerWaalsContact O-CG 3.23Å; S115-R119 WeakPolarHBondContact O-CG 3.27Å; S115-R119 PolarHBondContact O-N 2.99Å |
| 116 | A | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V71 Y76 L81 L84 V112 V113 S114 Q118 R119 C120 | V71-A116 HydrophobicContact CG1-CB 3.63Å; Y76-A116 HydrophobicContact CD2-CB 3.99Å; Y76-A116 HydrophobicContact CE2-CB 4.1Å; Y76-A116 HydrophobicContact CG-CB 4.49Å; L81-A116 HydrophobicContact CD1-CB 3.68Å; L84-A116 HydrophobicContact CD2-CB 3.13Å; V112-A116 PolarHBondContact O-N 2.91Å; V113-A116 WeakPolarHBondContact O-CB 3.17Å; V113-A116 PolarHBondContact O-N 3.49Å; V113-A116 VanDerWaalsContact O-N 3.16Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.23Å; A116-Q118 VanDerWaalsContact C-N 3.3Å; A116-Q118 PolarHBondContact O-N 2.85Å; A116-R119 CarbonylContact O-C 3.51Å; A116-R119 PolarHBondContact O-N 3.11Å; A116-R119 VanDerWaalsContact O-N 3.1Å; A116-C120 WeakPolarHBondContact O-CB 3.17Å; A116-C120 PolarHBondContact O-N 3.44Å |
| 117 | V | 88.5 | Confident | 84.9 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 174.7 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | L81 V113 S114 R119 C120 P123 L125 | L81-V117 HydrophobicContact CD1-CG2 4.06Å; L81-V117 HydrophobicContact CD2-CG2 4.13Å; V113-V117 HydrophobicContact CG1-CG2 4.37Å; V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 2.94Å; S114-V117 PolarHBondContact O-N 3.26Å; V117-R119 PolarHBondContact O-N 2.88Å; V117-C120 PolarHBondContact O-N 3.01Å; V117-P123 HydrophobicContact CG1-CB 3.89Å; V117-L125 HydrophobicContact CG2-CD1 4.48Å; V117-L125 HydrophobicContact CG2-CD2 3.84Å; V117-L125 HydrophobicContact CG2-CG 4.47Å |
| 118 | Q | 88.1 | Confident | 83.9 | Confident | 156 Ų | 156 | 68 Ų | 68 | 73% | 0.729 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.3 | -22.3 | 179.2 | -71.8 | -176.8 | -19.6 | 0 | 0 | 114 | S114 A116 | S114-Q118 WeakPolarHBondContact O-CG 3.38Å; S114-Q118 PolarHBondContact O-N 2.8Å; S114-Q118 VanDerWaalsContact O-N 3.12Å; A116-Q118 VanDerWaalsContact C-N 3.3Å; A116-Q118 PolarHBondContact O-N 2.85Å |
| 119 | R | 83.9 | Confident | 82.8 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -106.3 | -0 | -177.6 | -59.1 | -72.8 | -91.1 | 131.2 | 1.2 | 112.5 | R72 R74 Y76 S115 A116 V117 | R72-R119 PolarHBondContact O-NE 3.34Å; R72-R119 PolarHBondContact O-NH2 3.3Å; R74-R119 WeakPolarHBondContact O-CB 3.33Å; Y76-R119 PolarHBondContact N-O 3.29Å; S115-R119 VanDerWaalsContact O-CG 3.23Å; S115-R119 WeakPolarHBondContact O-CG 3.27Å; S115-R119 PolarHBondContact O-N 2.99Å; A116-R119 CarbonylContact O-C 3.51Å; A116-R119 PolarHBondContact O-N 3.11Å; A116-R119 VanDerWaalsContact O-N 3.1Å; V117-R119 PolarHBondContact O-N 2.88Å |
| 120 | C | 81.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 74 Ų | 74 | 10% | 0.095 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 135.7 | 177.5 | -166.7 | 0 | 0 | 0 | 0 | 109.7 | Y76 L81 A116 V117 E122 P123 | Y76-C120 WeakPolarHBondContact O-CA 3.25Å; Y76-C120 PolarHBondContact O-SG 3.33Å; L81-C120 HydrophobicContact CD2-CB 4.33Å; A116-C120 WeakPolarHBondContact O-CB 3.17Å; A116-C120 PolarHBondContact O-N 3.44Å; V117-C120 PolarHBondContact O-N 3.01Å; C120-E122 VanDerWaalsContact C-N 3.32Å; C120-E122 VanDerWaalsContact SG-C 3.56Å; C120-E122 PolarHBondContact SG-O 3.21Å; C120-E122 VanDerWaalsContact SG-O 3.35Å; C120-P123 HydrophobicContact CB-CB 4.24Å |
| 121 | V | 79.4 | Confident | 80.3 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69.5 | -34.9 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | Y76 | Y76-V121 PolarHBondContact O-N 3.2Š|
| 122 | E | 78.8 | Confident | 79 | Confident | 124 Ų | 124 | 65 Ų | 65 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -138.3 | 86.1 | 178.4 | -172.5 | -178.5 | -139.1 | 0 | 0 | 108.9 | C120 Q124 | C120-E122 VanDerWaalsContact C-N 3.32Å; C120-E122 VanDerWaalsContact SG-C 3.56Å; C120-E122 PolarHBondContact SG-O 3.21Å; C120-E122 VanDerWaalsContact SG-O 3.35Å; E122-Q124 PolarHBondContact O-N 3.25Å; E122-Q124 VanDerWaalsContact O-N 3.11Å |
| 123 | P | 77 | Confident | 77.8 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | trans | -70.8 | 109.4 | -177.2 | 27.3 | -32.6 | 0 | 0 | 0 | 110.5 | L81 V117 C120 | L81-P123 HydrophobicContact CD2-CB 4.11Å; V117-P123 HydrophobicContact CG1-CB 3.89Å; C120-P123 HydrophobicContact CB-CB 4.24Å | ||
| 124 | Q | 79.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | trans | -124.8 | 106.4 | 166.1 | -174.5 | 176.9 | -5.8 | 0 | 0 | 109.6 | K78 E122 | K78-Q124 HydrophobicContact CD-CB 4.27Å; K78-Q124 HydrophobicContact CG-CB 4.19Å; E122-Q124 PolarHBondContact O-N 3.25Å; E122-Q124 VanDerWaalsContact O-N 3.11Å | ||
| 125 | L | 74.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 142.5 | 174.8 | -64.8 | 172.4 | 0 | 0 | 0 | 110.2 | L81 Q85 V113 V117 | L81-L125 HydrophobicContact CD1-CD2 4.27Å; L81-L125 HydrophobicContact CD2-CD2 3.84Å; L81-L125 HydrophobicContact CG-CD2 4.03Å; Q85-L125 VanDerWaalsContact CD-CD2 3.45Å; Q85-L125 HydrophobicContact CG-CD2 4.05Å; V113-L125 HydrophobicContact CG1-CD2 4.19Å; V117-L125 HydrophobicContact CG2-CD1 4.48Å; V117-L125 HydrophobicContact CG2-CD2 3.84Å; V117-L125 HydrophobicContact CG2-CG 4.47Å |
| 126 | M | 73.1 | Confident | 74 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 145.6 | 169.2 | -170 | 161.7 | 73.7 | 0 | 0 | 110 | Q82 I86 L130 V131 | Q82-M126 HydrophobicContact CG-CB 4.28Å; I86-M126 HydrophobicContact CD1-CE 3.78Å; I86-M126 HydrophobicContact CG1-CE 3.55Å; M126-L130 HydrophobicContact CE-CB 4.15Å; M126-L130 HydrophobicContact CG-CB 3.69Å; M126-L130 HydrophobicContact CG-CD1 3.92Å; M126-L130 HydrophobicContact CG-CG 4.45Å; M126-L130 HydrophobicContact SD-CB 3.8Å; M126-L130 HydrophobicContact SD-CD1 4.37Å; M126-V131 HydrophobicContact CB-CG2 4.22Å; M126-V131 HydrophobicContact CE-CB 3.96Å; M126-V131 HydrophobicContact CE-CG2 3.35Å; M126-V131 HydrophobicContact CG-CG2 4.29Å |
| 127 | E | 73.5 | Confident | 72.4 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 131.7 | 174.2 | -165 | -161.7 | 154.9 | 0 | 0 | 109.6 | T129 L130 V131 | E127-T129 PolarHBondContact O-N 3.42Å; E127-T129 VanDerWaalsContact O-N 3.09Å; E127-T129 WeakPolarHBondContact OE1-CB 3.3Å; E127-T129 PolarHBondContact OE1-OG1 3.26Å; E127-L130 HydrophobicContact CB-CD1 4.2Å; E127-L130 HydrophobicContact CB-CG 4.26Å; E127-L130 WeakPolarHBondContact O-CB 3.21Å; E127-L130 PolarHBondContact O-N 2.89Å; E127-V131 PolarHBondContact O-N 3.12Å |
| 128 | P | 69.2 | Low | 70.4 | Confident | 105 Ų | 105 | 89 Ų | 89 | 68% | 0.682 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -52.1 | -35 | -179.1 | -28.6 | 34.8 | 0 | 0 | 0 | 113.9 | L130 V131 S132 | P128-L130 VanDerWaalsContact C-N 3.32Å; P128-L130 PolarHBondContact O-N 3.03Å; P128-V131 WeakPolarHBondContact O-CB 3.31Å; P128-V131 PolarHBondContact O-N 2.9Å; P128-V131 VanDerWaalsContact O-N 3.11Å; P128-S132 PolarHBondContact O-N 2.85Å |
| 129 | T | 67.4 | Low | 69.5 | Low | 69 Ų | 69 | 85.7 Ų | 85.7 | 42% | 0.423 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.7 | -41.8 | 0 | 0 | 0 | 0 | 112.6 | E127 V131 S132 L133 | E127-T129 PolarHBondContact O-N 3.42Å; E127-T129 VanDerWaalsContact O-N 3.09Å; E127-T129 WeakPolarHBondContact OE1-CB 3.3Å; E127-T129 PolarHBondContact OE1-OG1 3.26Å; T129-V131 VanDerWaalsContact C-N 3.32Å; T129-S132 PolarHBondContact O-OG 3.47Å; T129-S132 VanDerWaalsContact O-OG 3.06Å; T129-L133 HydrophobicContact CG2-CD1 4.25Å; T129-L133 WeakPolarHBondContact O-CB 3.38Å; T129-L133 WeakPolarHBondContact O-CD1 3.26Å; T129-L133 WeakPolarHBondContact O-CG 3.47Å; T129-L133 PolarHBondContact O-N 2.93Å; T129-L133 VanDerWaalsContact O-N 3.09Å |
| 130 | L | 66.2 | Low | 68.7 | Low | 84 Ų | 84 | 85.1 Ų | 85.1 | 44% | 0.44 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.1 | -33.4 | 176.6 | -67.2 | 174.5 | 0 | 0 | 0 | 111.2 | M126 E127 P128 V134 | M126-L130 HydrophobicContact CE-CB 4.15Å; M126-L130 HydrophobicContact CG-CB 3.69Å; M126-L130 HydrophobicContact CG-CD1 3.92Å; M126-L130 HydrophobicContact CG-CG 4.45Å; M126-L130 HydrophobicContact SD-CB 3.8Å; M126-L130 HydrophobicContact SD-CD1 4.37Å; E127-L130 HydrophobicContact CB-CD1 4.2Å; E127-L130 HydrophobicContact CB-CG 4.26Å; E127-L130 WeakPolarHBondContact O-CB 3.21Å; E127-L130 PolarHBondContact O-N 2.89Å; P128-L130 VanDerWaalsContact C-N 3.32Å; P128-L130 PolarHBondContact O-N 3.03Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.4Å; L130-V134 PolarHBondContact O-N 3.22Å |
| 131 | V | 63.8 | Low | 68 | Low | 11 Ų | 11 | 89 Ų | 89 | 7% | 0.067 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.7 | -47.2 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | H89 M126 E127 P128 T129 V134 C135 | H89-V131 HydrophobicContact CB-CG1 3.43Å; H89-V131 VanDerWaalsContact CB-CG1 3.43Å; M126-V131 HydrophobicContact CB-CG2 4.22Å; M126-V131 HydrophobicContact CE-CB 3.96Å; M126-V131 HydrophobicContact CE-CG2 3.35Å; M126-V131 HydrophobicContact CG-CG2 4.29Å; E127-V131 PolarHBondContact O-N 3.12Å; P128-V131 WeakPolarHBondContact O-CB 3.31Å; P128-V131 PolarHBondContact O-N 2.9Å; P128-V131 VanDerWaalsContact O-N 3.11Å; T129-V131 VanDerWaalsContact C-N 3.32Å; V131-V134 PolarHBondContact O-N 2.99Å; V131-C135 PolarHBondContact O-N 2.98Å; V131-C135 PolarHBondContact O-SG 2.79Å; V131-C135 VanDerWaalsContact O-SG 3.41Å |
| 132 | S | 63.9 | Low | 67.4 | Low | 33 Ų | 33 | 86.3 Ų | 86.3 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | P128 T129 V134 C135 E136 | P128-S132 PolarHBondContact O-N 2.85Å; T129-S132 PolarHBondContact O-OG 3.47Å; T129-S132 VanDerWaalsContact O-OG 3.06Å; S132-V134 VanDerWaalsContact C-N 3.29Å; S132-V134 PolarHBondContact O-N 3.42Å; S132-C135 PolarHBondContact O-N 3.3Å; S132-C135 VanDerWaalsContact O-N 3.12Å; S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 WeakPolarHBondContact O-CG 3.48Å; S132-E136 PolarHBondContact O-N 2.64Å |
| 133 | L | 66.3 | Low | 66.6 | Low | 77 Ų | 77 | 83.9 Ų | 83.9 | 40% | 0.403 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 178.1 | -76.4 | 170.7 | 0 | 0 | 0 | 113.6 | T129 R137 | T129-L133 HydrophobicContact CG2-CD1 4.25Å; T129-L133 WeakPolarHBondContact O-CB 3.38Å; T129-L133 WeakPolarHBondContact O-CD1 3.26Å; T129-L133 WeakPolarHBondContact O-CG 3.47Å; T129-L133 PolarHBondContact O-N 2.93Å; T129-L133 VanDerWaalsContact O-N 3.09Å; L133-R137 WeakPolarHBondContact O-CG 3.44Å |
| 134 | V | 66.7 | Low | 65.9 | Low | 48 Ų | 48 | 84.6 Ų | 84.6 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.8 | -38.9 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I86 L130 V131 S132 | I86-V134 HydrophobicContact CD1-CG1 4.47Å; I86-V134 HydrophobicContact CG2-CG1 4.12Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.4Å; L130-V134 PolarHBondContact O-N 3.22Å; V131-V134 PolarHBondContact O-N 2.99Å; S132-V134 VanDerWaalsContact C-N 3.29Å; S132-V134 PolarHBondContact O-N 3.42Å |
| 135 | C | 61.7 | Low | 65 | Low | 11 Ų | 11 | 84.3 Ų | 84.3 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -82.5 | -23 | -176.3 | -64 | 0 | 0 | 0 | 0 | 114.2 | H89 L93 V131 S132 R137 | H89-C135 VanDerWaalsContact CD2-SG 3.57Å; L93-C135 HydrophobicContact CD1-CB 3.79Å; V131-C135 PolarHBondContact O-N 2.98Å; V131-C135 PolarHBondContact O-SG 2.79Å; V131-C135 VanDerWaalsContact O-SG 3.41Å; S132-C135 PolarHBondContact O-N 3.3Å; S132-C135 VanDerWaalsContact O-N 3.12Å; C135-R137 VanDerWaalsContact C-N 3.33Å |
| 136 | E | 61.1 | Low | 64.2 | Low | 152 Ų | 152 | 84 Ų | 84 | 71% | 0.71 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -14.6 | 174.5 | -74.8 | 175.6 | -175.6 | 0 | 0 | 113.5 | S132 | S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 WeakPolarHBondContact O-CG 3.48Å; S132-E136 PolarHBondContact O-N 2.64Å |
| 137 | R | 55.5 | Low | 63.5 | Low | 214 Ų | 214 | 88.4 Ų | 88.4 | 81% | 0.808 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -4.1 | -175.9 | -78.8 | -174.7 | -177.5 | -159.2 | 2.8 | 115 | L133 C135 | L133-R137 WeakPolarHBondContact O-CG 3.44Å; C135-R137 VanDerWaalsContact C-N 3.33Å |
| 138 | E | 46.6 | Very low | 62.6 | Low | 144 Ų | 144 | 86.2 Ų | 86.2 | 67% | 0.673 | 44% | 0.436 | S | S | * | . | trans | -112.5 | 0 | 174.9 | -68.6 | -126.6 | 132.6 | 0 | 0 | 111.7 | M1 | M1-E138 PolarHBondContact N-OE1 3.39Š|
Retrieved 138 of 138 residues in 227 ms
(Link to these results)