| 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 | 39.4 | Very low | 48.2 | Very low | 231 Ų | 231 | 166.7 Ų | 166.7 | 100% | 1.138 | 82% | 0.823 | S | S | * | * | 0 | 90.3 | 0 | -157.2 | 166.2 | -168.5 | 0 | 0 | 105.6 | |||||
| 2 | E | 46.9 | Very low | 48.6 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -108.8 | 129 | -172.1 | -58.3 | -159.2 | 164.4 | 0 | 0 | 109.2 | ||||
| 3 | W | 45.3 | Very low | 49.4 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.924 | 82% | 0.815 | S | S | * | * | trans | -79.6 | 119.8 | -176.3 | -72.1 | 71.2 | 0 | 0 | 0 | 109.1 | K5 | W3-K5 PolarHBondContact O-N 3.32Š| ||
| 4 | A | 57.6 | Low | 49.9 | Very low | 89 Ų | 89 | 159.4 Ų | 159.4 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 109.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W6 | A4-W6 PolarHBondContact O-N 3.39Š| ||
| 5 | K | 56.2 | Low | 50.7 | Low | 189 Ų | 189 | 154.8 Ų | 154.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -67.5 | 107.5 | 170.9 | -178.7 | 177.5 | -179.8 | -178 | 0 | 108.4 | W3 T7 | W3-K5 PolarHBondContact O-N 3.32Å; K5-T7 PolarHBondContact O-N 2.95Å | ||
| 6 | W | 45.8 | Very low | 51.4 | Low | 238 Ų | 238 | 155.8 Ų | 155.8 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 116.7 | 172.8 | -82.9 | 93 | 0 | 0 | 0 | 110.2 | A4 | A4-W6 PolarHBondContact O-N 3.39Š| ||
| 7 | T | 56.3 | Low | 51.8 | Low | 103 Ų | 103 | 149.8 Ų | 149.8 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | trans | -100.4 | 127.7 | 163.8 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | K5 H9 | K5-T7 PolarHBondContact O-N 2.95Å; T7-H9 PolarHBondContact O-N 3.47Å; T7-H9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | P | 44.2 | Very low | 52.6 | Low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -66.7 | 114.8 | 174.7 | 26 | -29.6 | 0 | 0 | 0 | 108.6 | E10 | P8-E10 PolarHBondContact O-N 3.42Š| ||
| 9 | H | 45.9 | Very low | 53.5 | Low | 171 Ų | 171 | 140.7 Ų | 140.7 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | -69.7 | 97 | 169.9 | -175.9 | -88 | 0 | 0 | 0 | 107.2 | T7 A11 | T7-H9 PolarHBondContact O-N 3.47Å; T7-H9 VanDerWaalsContact O-N 3.11Å; H9-A11 PolarHBondContact O-N 2.88Å | ||
| 10 | E | 48.3 | Very low | 54.3 | Low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -60.4 | 87.7 | 164.8 | -79.7 | -169.8 | 148.1 | 0 | 0 | 107.8 | P8 S12 | P8-E10 PolarHBondContact O-N 3.42Å; E10-S12 VanDerWaalsContact C-N 3.35Å; E10-S12 PolarHBondContact O-N 3.17Å | ||
| 11 | A | 44.7 | Very low | 55.2 | Low | 64 Ų | 64 | 138.8 Ų | 138.8 | 53% | 0.529 | 72% | 0.717 | S | S | . | * | trans | -67.8 | 98.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | H9 N13 | H9-A11 PolarHBondContact O-N 2.88Å; A11-N13 PolarHBondContact O-N 3.49Å; A11-N13 PolarHBondContact O-OD1 3.46Å | ||
| 12 | S | 52.9 | Low | 56.6 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -26.3 | 92.7 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 113 | E10 | E10-S12 VanDerWaalsContact C-N 3.35Å; E10-S12 PolarHBondContact O-N 3.17Å | ||
| 13 | N | 58.3 | Low | 57.9 | Low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -114.4 | 47 | 162.8 | 63.6 | -40.7 | 0 | 0 | 0 | 108.9 | A11 T15 | A11-N13 PolarHBondContact O-N 3.49Å; A11-N13 PolarHBondContact O-OD1 3.46Å; N13-T15 PolarHBondContact O-N 2.69Å | ||
| 14 | Q | 57.3 | Low | 59.1 | Low | 146 Ų | 146 | 126.5 Ų | 126.5 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -74.3 | 80.7 | 162.9 | -167.8 | 175 | 6.1 | 0 | 0 | 107.9 | Q16 T19 | Q14-Q16 PolarHBondContact O-N 3.21Å; Q14-T19 PolarHBondContact NE2-OG1 2.88Å | ||
| 15 | T | 61.8 | Low | 59.6 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | -60.1 | 128.3 | 173.6 | -44.4 | 0 | 0 | 0 | 0 | 108.1 | N13 A17 S18 | N13-T15 PolarHBondContact O-N 2.69Å; T15-A17 HydrophobicContact CG2-CB 4.08Å; T15-A17 PolarHBondContact O-N 2.95Å; T15-S18 WeakPolarHBondContact O-CB 3.23Å; T15-S18 PolarHBondContact O-N 3.06Å; T15-S18 PolarHBondContact O-OG 3.29Å | ||
| 16 | Q | 62.1 | Low | 60 | Low | 170 Ų | 170 | 123.4 Ų | 123.4 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -49.9 | -30.2 | 178.9 | -173.1 | 179.1 | 7.3 | 0 | 0 | 113.1 | Q14 S18 T19 F20 | Q14-Q16 PolarHBondContact O-N 3.21Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.5Å; Q16-T19 PolarHBondContact O-N 3.12Å; Q16-F20 PolarHBondContact O-N 3.18Å; Q16-F20 VanDerWaalsContact O-N 3.09Å |
| 17 | A | 57.4 | Low | 60.7 | Low | 54 Ų | 54 | 117.9 Ų | 117.9 | 45% | 0.446 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.2 | -34.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T15 F20 L21 | T15-A17 HydrophobicContact CG2-CB 4.08Å; T15-A17 PolarHBondContact O-N 2.95Å; A17-F20 PolarHBondContact O-N 3.39Å; A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.45Å |
| 18 | S | 65.7 | Low | 60.8 | Low | 58 Ų | 58 | 120.6 Ų | 120.6 | 41% | 0.406 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.3 | -39.1 | 178.1 | 68 | 0 | 0 | 0 | 0 | 112.3 | T15 Q16 R22 | T15-S18 WeakPolarHBondContact O-CB 3.23Å; T15-S18 PolarHBondContact O-N 3.06Å; T15-S18 PolarHBondContact O-OG 3.29Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.5Å; S18-R22 VanDerWaalsContact O-CB 3.3Å; S18-R22 WeakPolarHBondContact O-CB 3.26Å; S18-R22 PolarHBondContact O-N 3.43Å |
| 19 | T | 71 | Confident | 61.5 | Low | 69 Ų | 69 | 119.5 Ų | 119.5 | 42% | 0.423 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.1 | -40.3 | 174.6 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | Q14 Q16 R22 L23 | Q14-T19 PolarHBondContact NE2-OG1 2.88Å; Q16-T19 PolarHBondContact O-N 3.12Å; T19-R22 PolarHBondContact O-N 3.38Å; T19-L23 WeakPolarHBondContact O-CB 3.39Å; T19-L23 PolarHBondContact O-N 3.43Å |
| 20 | F | 69.3 | Low | 62 | Low | 128 Ų | 128 | 118.4 Ų | 118.4 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -41.9 | 177.4 | -167.1 | -101.8 | 0 | 0 | 0 | 112.4 | Q16 A17 R22 L23 L24 | Q16-F20 PolarHBondContact O-N 3.18Å; Q16-F20 VanDerWaalsContact O-N 3.09Å; A17-F20 PolarHBondContact O-N 3.39Å; F20-R22 VanDerWaalsContact C-N 3.32Å; F20-R22 PolarHBondContact O-N 2.96Å; F20-L23 PolarHBondContact O-N 3.02Å; F20-L24 HydrophobicContact CD1-CD1 3.7Å; F20-L24 HydrophobicContact CE1-CD1 3.33Å; F20-L24 HydrophobicContact CE1-CG 4.21Å; F20-L24 HydrophobicContact CZ-CD1 4.11Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 PolarHBondContact O-N 3.5Å |
| 21 | L | 72.3 | Confident | 62.1 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.8 | -41.3 | 172.8 | -73.5 | 173.4 | 0 | 0 | 0 | 111.1 | A17 L24 L25 | A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 2.92Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 PolarHBondContact O-N 3.47Å |
| 22 | R | 69.7 | Low | 62.4 | Low | 200 Ų | 200 | 118 Ų | 118 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -39.4 | 175.9 | -172.5 | 174.3 | 173.9 | 173 | -1.9 | 112.1 | S18 T19 F20 L25 D26 | S18-R22 VanDerWaalsContact O-CB 3.3Å; S18-R22 WeakPolarHBondContact O-CB 3.26Å; S18-R22 PolarHBondContact O-N 3.43Å; T19-R22 PolarHBondContact O-N 3.38Å; F20-R22 VanDerWaalsContact C-N 3.32Å; F20-R22 PolarHBondContact O-N 2.96Å; R22-L25 PolarHBondContact O-N 2.83Å; R22-D26 WeakPolarHBondContact O-CB 2.99Å; R22-D26 PolarHBondContact O-N 2.95Å |
| 23 | L | 74.4 | Confident | 62.4 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -44.6 | 176.5 | -165.5 | 76.7 | 0 | 0 | 0 | 111.4 | T19 F20 L25 D26 D27 | T19-L23 WeakPolarHBondContact O-CB 3.39Å; T19-L23 PolarHBondContact O-N 3.43Å; F20-L23 PolarHBondContact O-N 3.02Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.01Å; L23-D26 PolarHBondContact O-N 3.49Å; L23-D27 WeakPolarHBondContact O-CB 3.46Å; L23-D27 PolarHBondContact O-N 2.99Å |
| 24 | L | 71 | Confident | 62.2 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.6 | -39 | 175 | -96.8 | 165.3 | 0 | 0 | 0 | 112.5 | F20 L21 H28 | F20-L24 HydrophobicContact CD1-CD1 3.7Å; F20-L24 HydrophobicContact CE1-CD1 3.33Å; F20-L24 HydrophobicContact CE1-CG 4.21Å; F20-L24 HydrophobicContact CZ-CD1 4.11Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 2.92Å; L24-H28 VanDerWaalsContact O-CB 3.29Å; L24-H28 WeakPolarHBondContact O-CB 3.48Å; L24-H28 PolarHBondContact O-N 3.22Å |
| 25 | L | 66.3 | Low | 62.1 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -39.6 | 178 | -140.6 | 74.2 | 0 | 0 | 0 | 111.7 | L21 R22 L23 T29 | L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 PolarHBondContact O-N 3.47Å; R22-L25 PolarHBondContact O-N 2.83Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.01Å; L25-T29 WeakPolarHBondContact O-CB 3.39Å; L25-T29 VanDerWaalsContact O-CG2 3.25Å; L25-T29 WeakPolarHBondContact O-CG2 3.32Å; L25-T29 PolarHBondContact O-N 2.85Å; L25-T29 VanDerWaalsContact O-N 3.15Å; L25-T29 PolarHBondContact O-OG1 3Å |
| 26 | D | 65.3 | Low | 61.6 | Low | 85 Ų | 85 | 117 Ų | 117 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.3 | -44.9 | 175.7 | -157.4 | -100.9 | 0 | 0 | 0 | 110.6 | R22 L23 H28 T29 K30 | R22-D26 WeakPolarHBondContact O-CB 2.99Å; R22-D26 PolarHBondContact O-N 2.95Å; L23-D26 PolarHBondContact O-N 3.49Å; D26-H28 PolarHBondContact O-N 3.47Å; D26-T29 PolarHBondContact O-N 3.14Å; D26-T29 PolarHBondContact O-OG1 2.93Å; D26-T29 VanDerWaalsContact O-OG1 3.08Å; D26-K30 WeakPolarHBondContact O-CB 3.38Å; D26-K30 PolarHBondContact O-N 3.39Å |
| 27 | D | 59.9 | Low | 61 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -39.3 | -178.6 | -146.7 | 42 | 0 | 0 | 0 | 112 | L23 T29 G31 | L23-D27 WeakPolarHBondContact O-CB 3.46Å; L23-D27 PolarHBondContact O-N 2.99Å; D27-T29 VanDerWaalsContact C-N 3.32Å; D27-T29 PolarHBondContact O-N 3.27Å; D27-G31 PolarHBondContact O-N 3.28Å; D27-G31 VanDerWaalsContact O-N 3.12Å |
| 28 | H | 60 | Low | 60.7 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 74% | 0.741 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -30 | 175.3 | -173 | -90.3 | 0 | 0 | 0 | 113 | L24 D26 | L24-H28 VanDerWaalsContact O-CB 3.29Å; L24-H28 WeakPolarHBondContact O-CB 3.48Å; L24-H28 PolarHBondContact O-N 3.22Å; D26-H28 PolarHBondContact O-N 3.47Å |
| 29 | T | 57.4 | Low | 60 | Low | 99 Ų | 99 | 125.9 Ų | 125.9 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -89.9 | -20.6 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | L25 D26 D27 | L25-T29 WeakPolarHBondContact O-CB 3.39Å; L25-T29 VanDerWaalsContact O-CG2 3.25Å; L25-T29 WeakPolarHBondContact O-CG2 3.32Å; L25-T29 PolarHBondContact O-N 2.85Å; L25-T29 VanDerWaalsContact O-N 3.15Å; L25-T29 PolarHBondContact O-OG1 3Å; D26-T29 PolarHBondContact O-N 3.14Å; D26-T29 PolarHBondContact O-OG1 2.93Å; D26-T29 VanDerWaalsContact O-OG1 3.08Å; D27-T29 VanDerWaalsContact C-N 3.32Å; D27-T29 PolarHBondContact O-N 3.27Å |
| 30 | K | 57.4 | Low | 59 | Low | 149 Ų | 149 | 127.1 Ų | 127.1 | 65% | 0.648 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -97.9 | -19.9 | -176.6 | -163.1 | 168 | -175.8 | 175.3 | 0 | 114.2 | D26 | D26-K30 WeakPolarHBondContact O-CB 3.38Å; D26-K30 PolarHBondContact O-N 3.39Å |
| 31 | G | 49.7 | Very low | 58.1 | Low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -80.9 | -9.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D27 N33 | D27-G31 PolarHBondContact O-N 3.28Å; D27-G31 VanDerWaalsContact O-N 3.12Å; G31-N33 PolarHBondContact O-N 2.88Å |
| 32 | R | 50.5 | Low | 57.3 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 70% | 0.702 | 68% | 0.681 | S | S | * | * | trans | -92.6 | 76.2 | 179.9 | -148.3 | 170.2 | 83.6 | -179.3 | 2.8 | 111 | D34 | R32-D34 IonicContact CZ-OD2 3.55Å; R32-D34 IonicContact NE-OD1 3.84Å; R32-D34 IonicContact NE-OD2 2.91Å; R32-D34 PolarHBondContact NE-OD2 3.31Å; R32-D34 IonicContact NH2-OD2 3.32Å; R32-D34 PolarHBondContact NH2-OD2 2.71Å; R32-D34 PolarHBondContact O-N 2.8Å | ||
| 33 | N | 53.2 | Low | 56.7 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 66% | 0.658 | 67% | 0.674 | S | S | * | * | trans | -67.7 | 76.8 | 170.6 | -43.1 | -30.4 | 0 | 0 | 0 | 108.7 | G31 T35 | G31-N33 PolarHBondContact O-N 2.88Å; N33-T35 PolarHBondContact O-N 3.5Å | ||
| 34 | D | 54.9 | Low | 56 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 48% | 0.481 | 67% | 0.669 | S | S | . | * | trans | -71.2 | 34.3 | 170.3 | -74.5 | -41.9 | 0 | 0 | 0 | 111.1 | R32 N36 | R32-D34 IonicContact CZ-OD2 3.55Å; R32-D34 IonicContact NE-OD1 3.84Å; R32-D34 IonicContact NE-OD2 2.91Å; R32-D34 PolarHBondContact NE-OD2 3.31Å; R32-D34 IonicContact NH2-OD2 3.32Å; R32-D34 PolarHBondContact NH2-OD2 2.71Å; R32-D34 PolarHBondContact O-N 2.8Å; D34-N36 VanDerWaalsContact C-N 3.28Å; D34-N36 PolarHBondContact O-N 3.33Å | ||
| 35 | T | 53.9 | Low | 55.5 | Low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -81.6 | -4.2 | -172.5 | -28.6 | 0 | 0 | 0 | 0 | 113.2 | N33 | N33-T35 PolarHBondContact O-N 3.5Š|
| 36 | N | 53 | Low | 55.2 | Low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -133.6 | -11.4 | -169.6 | -42.7 | -23.6 | 0 | 0 | 0 | 115.1 | D34 | D34-N36 VanDerWaalsContact C-N 3.28Å; D34-N36 PolarHBondContact O-N 3.33Å |
| 37 | S | 47.9 | Very low | 55.1 | Low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -85.4 | -11.7 | -172.4 | -158.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 38 | T | 52.4 | Low | 55.5 | Low | 118 Ų | 118 | 121.2 Ų | 121.2 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -92.3 | 0.7 | -173.2 | -33.7 | 0 | 0 | 0 | 0 | 113.7 | A40 | T38-A40 VanDerWaalsContact C-N 3.32Å; T38-A40 PolarHBondContact O-N 3.47Å |
| 39 | R | 49.9 | Very low | 56.3 | Low | 253 Ų | 253 | 116.6 Ų | 116.6 | 96% | 0.955 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -81.8 | -9.2 | -177.8 | -145.7 | -175.1 | -146.8 | -140.3 | 5.3 | 114.2 | ||
| 40 | A | 50.4 | Low | 57.7 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -125.9 | -2.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T38 K42 | T38-A40 VanDerWaalsContact C-N 3.32Å; T38-A40 PolarHBondContact O-N 3.47Å; A40-K42 VanDerWaalsContact C-N 3.26Å; A40-K42 PolarHBondContact O-N 2.85Å |
| 41 | L | 51.6 | Low | 59.1 | Low | 148 Ų | 148 | 115.3 Ų | 115.3 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -83.1 | 81.4 | 173.9 | -153.8 | 77.7 | 0 | 0 | 0 | 109.1 | V43 | L41-V43 PolarHBondContact O-N 3.37Š|
| 42 | K | 54.9 | Low | 60.9 | Low | 199 Ų | 199 | 119.9 Ų | 119.9 | 87% | 0.865 | 65% | 0.654 | S | S | * | * | trans | -35.9 | 110.7 | 170.8 | -152.1 | 170.7 | 176.1 | 178.6 | 0 | 109.6 | A40 P44 | A40-K42 VanDerWaalsContact C-N 3.26Å; A40-K42 PolarHBondContact O-N 2.85Å; K42-P44 VanDerWaalsContact O-CD 3.27Å; K42-P44 WeakPolarHBondContact O-CD 3.38Å | ||
| 43 | V | 57.3 | Low | 62.7 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -63.1 | 120.1 | -175.5 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | L41 D45 | L41-V43 PolarHBondContact O-N 3.37Å; V43-D45 VanDerWaalsContact C-N 3.31Å; V43-D45 WeakPolarHBondContact CG1-OD1 3.41Å; V43-D45 PolarHBondContact O-N 2.79Å | ||
| 44 | P | 58.7 | Low | 64.5 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 53% | 0.526 | 64% | 0.639 | S | S | . | * | trans | -80.1 | 91.3 | 160.5 | 30.7 | -25.2 | 0 | 0 | 0 | 106.5 | K42 G46 T47 | K42-P44 VanDerWaalsContact O-CD 3.27Å; K42-P44 WeakPolarHBondContact O-CD 3.38Å; P44-G46 PolarHBondContact O-N 3.27Å; P44-T47 PolarHBondContact O-N 3.37Å; P44-T47 VanDerWaalsContact O-N 3.13Å | ||
| 45 | D | 60.7 | Low | 66.2 | Low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -4.8 | -176.6 | -72.4 | -50 | 0 | 0 | 0 | 114.2 | V43 | V43-D45 VanDerWaalsContact C-N 3.31Å; V43-D45 WeakPolarHBondContact CG1-OD1 3.41Å; V43-D45 PolarHBondContact O-N 2.79Å |
| 46 | G | 59.6 | Low | 68 | Low | 70 Ų | 70 | 112.7 Ų | 112.7 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -20.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P44 | P44-G46 PolarHBondContact O-N 3.27Š|
| 47 | T | 63.2 | Low | 70 | Confident | 65 Ų | 65 | 111.1 Ų | 111.1 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -14.6 | -171.9 | -38.8 | 0 | 0 | 0 | 0 | 112.5 | P44 A49 A50 W51 | P44-T47 PolarHBondContact O-N 3.37Å; P44-T47 VanDerWaalsContact O-N 3.13Å; T47-A49 PolarHBondContact O-N 3.41Å; T47-A50 PolarHBondContact O-N 3.23Å; T47-W51 VanDerWaalsContact CG2-CD1 3.5Å; T47-W51 PolarHBondContact O-N 3.11Å |
| 48 | S | 68.3 | Low | 72.3 | Confident | 57 Ų | 57 | 108 Ų | 108 | 40% | 0.399 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -56.8 | -49.4 | -173.2 | -173.2 | 0 | 0 | 0 | 0 | 113.6 | A50 W51 Y52 | S48-A50 PolarHBondContact O-N 3.03Å; S48-W51 PolarHBondContact O-N 3.14Å; S48-Y52 WeakPolarHBondContact O-CD2 3.3Å; S48-Y52 PolarHBondContact O-N 2.83Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.43Å |
| 49 | A | 78.4 | Confident | 74.4 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T47 W51 Y52 I53 | T47-A49 PolarHBondContact O-N 3.41Å; A49-W51 VanDerWaalsContact C-N 3.3Å; A49-W51 PolarHBondContact O-N 3.3Å; A49-Y52 PolarHBondContact O-N 3.44Å; A49-I53 WeakPolarHBondContact O-CG1 3.31Å; A49-I53 PolarHBondContact O-N 2.81Å |
| 50 | A | 85.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.8 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T47 S48 I53 L54 | T47-A50 PolarHBondContact O-N 3.23Å; S48-A50 PolarHBondContact O-N 3.03Å; A50-I53 PolarHBondContact O-N 2.75Å; A50-L54 VanDerWaalsContact O-CB 3.22Å; A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 PolarHBondContact O-N 3.48Å |
| 51 | W | 88.3 | Confident | 78.7 | Confident | 161 Ų | 161 | 100.3 Ų | 100.3 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -43.9 | 173.3 | -84.6 | 102.4 | 0 | 0 | 0 | 112.1 | T47 S48 A49 I53 L54 T55 | T47-W51 VanDerWaalsContact CG2-CD1 3.5Å; T47-W51 PolarHBondContact O-N 3.11Å; S48-W51 PolarHBondContact O-N 3.14Å; A49-W51 VanDerWaalsContact C-N 3.3Å; A49-W51 PolarHBondContact O-N 3.3Å; W51-I53 PolarHBondContact O-N 2.77Å; W51-L54 PolarHBondContact O-N 3.47Å; W51-T55 WeakPolarHBondContact O-CB 3.32Å; W51-T55 PolarHBondContact O-N 2.77Å; W51-T55 PolarHBondContact O-OG1 2.87Å |
| 52 | Y | 86.3 | Confident | 80.8 | Confident | 154 Ų | 154 | 98.1 Ų | 98.1 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 174.9 | -70 | -68.6 | 0 | 0 | 0 | 111.9 | S48 A49 L54 T55 I56 | S48-Y52 WeakPolarHBondContact O-CD2 3.3Å; S48-Y52 PolarHBondContact O-N 2.83Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.43Å; A49-Y52 PolarHBondContact O-N 3.44Å; Y52-L54 PolarHBondContact O-N 2.8Å; Y52-T55 PolarHBondContact O-N 3.36Å; Y52-I56 WeakPolarHBondContact O-CB 3.14Å; Y52-I56 WeakPolarHBondContact O-CD1 3.29Å; Y52-I56 WeakPolarHBondContact O-CG1 3.39Å; Y52-I56 PolarHBondContact O-N 3.2Å |
| 53 | I | 89.3 | Confident | 82.7 | Confident | 99 Ų | 99 | 92.5 Ų | 92.5 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 178.2 | -63.9 | 163.4 | 0 | 0 | 0 | 110.6 | A49 A50 W51 T55 I56 I57 | A49-I53 WeakPolarHBondContact O-CG1 3.31Å; A49-I53 PolarHBondContact O-N 2.81Å; A50-I53 PolarHBondContact O-N 2.75Å; W51-I53 PolarHBondContact O-N 2.77Å; I53-T55 PolarHBondContact O-N 2.75Å; I53-I56 PolarHBondContact O-N 3.11Å; I53-I57 HydrophobicContact CG2-CD1 3.8Å; I53-I57 HydrophobicContact CG2-CG1 4.44Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3.32Å |
| 54 | L | 90.8 | Very high | 84.4 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.8 | -177.5 | 62.8 | 0 | 0 | 0 | 111.8 | A50 W51 Y52 I57 G58 | A50-L54 VanDerWaalsContact O-CB 3.22Å; A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 PolarHBondContact O-N 3.48Å; W51-L54 PolarHBondContact O-N 3.47Å; Y52-L54 PolarHBondContact O-N 2.8Å; L54-I57 PolarHBondContact O-N 3.33Å; L54-G58 PolarHBondContact O-N 2.95Å |
| 55 | T | 90.5 | Very high | 86.1 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | W51 Y52 I53 G58 I59 | W51-T55 WeakPolarHBondContact O-CB 3.32Å; W51-T55 PolarHBondContact O-N 2.77Å; W51-T55 PolarHBondContact O-OG1 2.87Å; Y52-T55 PolarHBondContact O-N 3.36Å; I53-T55 PolarHBondContact O-N 2.75Å; T55-G58 PolarHBondContact O-N 2.74Å; T55-I59 HydrophobicContact CG2-CD1 3.82Å; T55-I59 HydrophobicContact CG2-CG1 4.45Å; T55-I59 VanDerWaalsContact O-CG1 3.28Å; T55-I59 WeakPolarHBondContact O-CG1 3.02Å; T55-I59 PolarHBondContact O-N 2.79Å |
| 56 | I | 92.7 | Very high | 87.6 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 177.8 | -69.6 | 164.2 | 0 | 0 | 0 | 110 | Y52 I53 G58 I59 Y60 | Y52-I56 WeakPolarHBondContact O-CB 3.14Å; Y52-I56 WeakPolarHBondContact O-CD1 3.29Å; Y52-I56 WeakPolarHBondContact O-CG1 3.39Å; Y52-I56 PolarHBondContact O-N 3.2Å; I53-I56 PolarHBondContact O-N 3.11Å; I56-G58 VanDerWaalsContact C-N 3.31Å; I56-G58 PolarHBondContact O-N 3.06Å; I56-I59 PolarHBondContact O-N 3.27Å; I56-Y60 HydrophobicContact CG2-CD2 3.64Å; I56-Y60 HydrophobicContact CG2-CE2 3.46Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.46Å; I56-Y60 WeakPolarHBondContact O-CD2 3.36Å; I56-Y60 PolarHBondContact O-N 3.4Å |
| 57 | I | 94.8 | Very high | 88.9 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.4 | -67.6 | 169.5 | 0 | 0 | 0 | 110.8 | I53 L54 Y60 A61 | I53-I57 HydrophobicContact CG2-CD1 3.8Å; I53-I57 HydrophobicContact CG2-CG1 4.44Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3.32Å; L54-I57 PolarHBondContact O-N 3.33Å; I57-Y60 PolarHBondContact O-N 2.81Å; I57-A61 WeakPolarHBondContact O-CB 3.42Å; I57-A61 PolarHBondContact O-N 2.92Å |
| 58 | G | 95.1 | Very high | 90.1 | Very high | 33 Ų | 33 | 100.8 Ų | 100.8 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L54 T55 I56 Y60 A61 V62 | L54-G58 PolarHBondContact O-N 2.95Å; T55-G58 PolarHBondContact O-N 2.74Å; I56-G58 VanDerWaalsContact C-N 3.31Å; I56-G58 PolarHBondContact O-N 3.06Å; G58-Y60 PolarHBondContact O-N 2.85Å; G58-A61 PolarHBondContact O-N 3.34Å; G58-V62 WeakPolarHBondContact O-CG2 3.43Å; G58-V62 PolarHBondContact O-N 3.28Å |
| 59 | I | 96 | Very high | 91 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.3 | -66.8 | 165 | 0 | 0 | 0 | 110.4 | T55 I56 A61 V62 I63 | T55-I59 HydrophobicContact CG2-CD1 3.82Å; T55-I59 HydrophobicContact CG2-CG1 4.45Å; T55-I59 VanDerWaalsContact O-CG1 3.28Å; T55-I59 WeakPolarHBondContact O-CG1 3.02Å; T55-I59 PolarHBondContact O-N 2.79Å; I56-I59 PolarHBondContact O-N 3.27Å; I59-A61 VanDerWaalsContact C-N 3.35Å; I59-A61 PolarHBondContact O-N 3.31Å; I59-V62 PolarHBondContact O-N 2.81Å; I59-I63 HydrophobicContact CG2-CD1 3.69Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 VanDerWaalsContact O-CG1 3.27Å; I59-I63 WeakPolarHBondContact O-CG1 3.06Å; I59-I63 PolarHBondContact O-N 3.42Å |
| 60 | Y | 96.1 | Very high | 91.1 | Very high | 160 Ų | 160 | 99.7 Ų | 99.7 | 63% | 0.627 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 177.2 | -79.7 | -64.8 | 0 | 0 | 0 | 112.9 | I56 I57 G58 I63 F64 | I56-Y60 HydrophobicContact CG2-CD2 3.64Å; I56-Y60 HydrophobicContact CG2-CE2 3.46Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.46Å; I56-Y60 WeakPolarHBondContact O-CD2 3.36Å; I56-Y60 PolarHBondContact O-N 3.4Å; I57-Y60 PolarHBondContact O-N 2.81Å; G58-Y60 PolarHBondContact O-N 2.85Å; Y60-I63 PolarHBondContact O-N 3.45Å; Y60-F64 VanDerWaalsContact O-CB 3.24Å; Y60-F64 WeakPolarHBondContact O-CB 3.24Å; Y60-F64 PolarHBondContact O-N 3.3Å |
| 61 | A | 95.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 100.8 Ų | 100.8 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I57 G58 I59 F64 V65 | I57-A61 WeakPolarHBondContact O-CB 3.42Å; I57-A61 PolarHBondContact O-N 2.92Å; G58-A61 PolarHBondContact O-N 3.34Å; I59-A61 VanDerWaalsContact C-N 3.35Å; I59-A61 PolarHBondContact O-N 3.31Å; A61-F64 WeakPolarHBondContact O-CB 3.49Å; A61-F64 PolarHBondContact O-N 3.01Å; A61-V65 WeakPolarHBondContact O-CG2 3.25Å; A61-V65 PolarHBondContact O-N 3.26Å |
| 62 | V | 96.3 | Very high | 90.2 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 62% | 0.624 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | G58 I59 F64 V65 F66 | G58-V62 WeakPolarHBondContact O-CG2 3.43Å; G58-V62 PolarHBondContact O-N 3.28Å; I59-V62 PolarHBondContact O-N 2.81Å; V62-F64 VanDerWaalsContact C-N 3.29Å; V62-F64 PolarHBondContact O-N 3.38Å; V62-V65 PolarHBondContact O-N 2.94Å; V62-F66 WeakPolarHBondContact O-CB 3.15Å; V62-F66 PolarHBondContact O-N 3.49Å |
| 63 | I | 93.9 | Very high | 89.3 | Confident | 80 Ų | 80 | 95 Ų | 95 | 41% | 0.41 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176 | -67 | 167.4 | 0 | 0 | 0 | 110.6 | I59 Y60 F66 R67 | I59-I63 HydrophobicContact CG2-CD1 3.69Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 VanDerWaalsContact O-CG1 3.27Å; I59-I63 WeakPolarHBondContact O-CG1 3.06Å; I59-I63 PolarHBondContact O-N 3.42Å; Y60-I63 PolarHBondContact O-N 3.45Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-R67 HydrophobicContact CG2-CG 4.22Å; I63-R67 WeakPolarHBondContact O-CB 3.24Å; I63-R67 VanDerWaalsContact O-CG 3.26Å; I63-R67 WeakPolarHBondContact O-CG 3.26Å; I63-R67 PolarHBondContact O-N 3.29Å |
| 64 | F | 94.1 | Very high | 88.1 | Confident | 137 Ų | 137 | 98.8 Ų | 98.8 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 178 | 176.7 | -97.2 | 0 | 0 | 0 | 111.4 | Y60 A61 V62 F66 R67 L68 | Y60-F64 VanDerWaalsContact O-CB 3.24Å; Y60-F64 WeakPolarHBondContact O-CB 3.24Å; Y60-F64 PolarHBondContact O-N 3.3Å; A61-F64 WeakPolarHBondContact O-CB 3.49Å; A61-F64 PolarHBondContact O-N 3.01Å; V62-F64 VanDerWaalsContact C-N 3.29Å; V62-F64 PolarHBondContact O-N 3.38Å; F64-F66 VanDerWaalsContact C-N 3.34Å; F64-F66 PolarHBondContact O-N 2.86Å; F64-R67 PolarHBondContact O-N 3.41Å; F64-L68 HydrophobicContact CE1-CD2 4.23Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.93Å |
| 65 | V | 94.4 | Very high | 86.8 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | A61 V62 L68 A69 | A61-V65 WeakPolarHBondContact O-CG2 3.25Å; A61-V65 PolarHBondContact O-N 3.26Å; V62-V65 PolarHBondContact O-N 2.94Å; V65-L68 PolarHBondContact O-N 2.88Å; V65-A69 VanDerWaalsContact O-CB 3.24Å; V65-A69 WeakPolarHBondContact O-CB 3.24Å; V65-A69 PolarHBondContact O-N 3.32Å |
| 66 | F | 90.9 | Very high | 85.3 | Confident | 144 Ų | 144 | 101.4 Ų | 101.4 | 63% | 0.632 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 176.8 | -172.3 | -97.6 | 0 | 0 | 0 | 111.3 | V62 I63 F64 L68 A69 S70 | V62-F66 WeakPolarHBondContact O-CB 3.15Å; V62-F66 PolarHBondContact O-N 3.49Å; I63-F66 PolarHBondContact O-N 2.9Å; F64-F66 VanDerWaalsContact C-N 3.34Å; F64-F66 PolarHBondContact O-N 2.86Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.3Å; F66-A69 PolarHBondContact O-N 3.02Å; F66-S70 VanDerWaalsContact O-CB 3.24Å; F66-S70 WeakPolarHBondContact O-CB 3.22Å; F66-S70 PolarHBondContact O-N 3.31Å; F66-S70 PolarHBondContact O-OG 3.5Å |
| 67 | R | 88 | Confident | 83.6 | Confident | 183 Ų | 183 | 99.6 Ų | 99.6 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -37.2 | 176 | -72.7 | -178.6 | 74.5 | -178.4 | 4.1 | 112 | I63 F64 N71 | I63-R67 HydrophobicContact CG2-CG 4.22Å; I63-R67 WeakPolarHBondContact O-CB 3.24Å; I63-R67 VanDerWaalsContact O-CG 3.26Å; I63-R67 WeakPolarHBondContact O-CG 3.26Å; I63-R67 PolarHBondContact O-N 3.29Å; F64-R67 PolarHBondContact O-N 3.41Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 PolarHBondContact O-N 2.91Å |
| 68 | L | 89 | Confident | 81.7 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 41% | 0.414 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -49.4 | 176.6 | -179.4 | 61.3 | 0 | 0 | 0 | 110.6 | F64 V65 F66 N71 I72 | F64-L68 HydrophobicContact CE1-CD2 4.23Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.93Å; V65-L68 PolarHBondContact O-N 2.88Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.3Å; L68-N71 PolarHBondContact O-N 2.84Å; L68-I72 HydrophobicContact CD1-CD1 4.19Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 PolarHBondContact O-N 3.4Å |
| 69 | A | 86.3 | Confident | 79.7 | Confident | 51 Ų | 51 | 103.7 Ų | 103.7 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V65 F66 N71 I72 L73 | V65-A69 VanDerWaalsContact O-CB 3.24Å; V65-A69 WeakPolarHBondContact O-CB 3.24Å; V65-A69 PolarHBondContact O-N 3.32Å; F66-A69 PolarHBondContact O-N 3.02Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 2.94Å; A69-I72 PolarHBondContact O-N 3.41Å; A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 PolarHBondContact O-N 3.3Å |
| 70 | S | 81.5 | Confident | 77.8 | Confident | 46 Ų | 46 | 104.5 Ų | 104.5 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -34.2 | 174.1 | -62 | 0 | 0 | 0 | 0 | 112.3 | F66 R74 | F66-S70 VanDerWaalsContact O-CB 3.24Å; F66-S70 WeakPolarHBondContact O-CB 3.22Å; F66-S70 PolarHBondContact O-N 3.31Å; F66-S70 PolarHBondContact O-OG 3.5Å; S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 2.91Å |
| 71 | N | 77.3 | Confident | 75.9 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.8 | -36.5 | 176.2 | -175.6 | 46.9 | 0 | 0 | 0 | 112 | R67 L68 A69 K75 | R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 PolarHBondContact O-N 2.91Å; L68-N71 PolarHBondContact O-N 2.84Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 2.94Å; N71-K75 WeakPolarHBondContact O-CG 3.15Å; N71-K75 PolarHBondContact O-N 3.45Å |
| 72 | I | 77 | Confident | 74 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -49.2 | 172 | -66.7 | 166.4 | 0 | 0 | 0 | 109.5 | L68 A69 R74 K75 N76 | L68-I72 HydrophobicContact CD1-CD1 4.19Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 PolarHBondContact O-N 3.4Å; A69-I72 PolarHBondContact O-N 3.41Å; I72-R74 PolarHBondContact O-N 2.84Å; I72-K75 WeakPolarHBondContact O-CB 3.12Å; I72-K75 PolarHBondContact O-N 3.5Å; I72-K75 VanDerWaalsContact O-N 3.14Å; I72-N76 PolarHBondContact O-N 3.49Å; I72-N76 VanDerWaalsContact O-N 3.11Å; I72-N76 PolarHBondContact O-ND2 3.33Å |
| 73 | L | 67.3 | Low | 72.3 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 179.8 | -172.1 | 61.4 | 0 | 0 | 0 | 111.1 | A69 K75 N76 D77 | A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 PolarHBondContact O-N 3.3Å; L73-K75 PolarHBondContact O-N 3.24Å; L73-K75 VanDerWaalsContact O-N 3.14Å; L73-N76 CarbonylContact O-C 3.46Å; L73-N76 WeakPolarHBondContact O-CA 3.4Å; L73-N76 WeakPolarHBondContact O-CB 3.45Å; L73-N76 PolarHBondContact O-N 3.23Å; L73-D77 PolarHBondContact O-N 3.03Å |
| 74 | R | 63.3 | Low | 70.5 | Confident | 177 Ų | 177 | 107 Ų | 107 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -25.1 | 176.6 | -172.8 | 176.4 | -174.1 | -138.6 | 2.4 | 114.1 | S70 I72 | S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 2.91Å; I72-R74 PolarHBondContact O-N 2.84Å |
| 75 | K | 62.4 | Low | 68.7 | Low | 147 Ų | 147 | 107.9 Ų | 107.9 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.1 | -32.1 | 171.2 | -82.2 | 175.4 | 163.4 | -172.8 | 0 | 112 | N71 I72 L73 | N71-K75 WeakPolarHBondContact O-CG 3.15Å; N71-K75 PolarHBondContact O-N 3.45Å; I72-K75 WeakPolarHBondContact O-CB 3.12Å; I72-K75 PolarHBondContact O-N 3.5Å; I72-K75 VanDerWaalsContact O-N 3.14Å; L73-K75 PolarHBondContact O-N 3.24Å; L73-K75 VanDerWaalsContact O-N 3.14Å |
| 76 | N | 59.7 | Low | 66.9 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -80.6 | -29.2 | 176 | -70.8 | -72.2 | 0 | 0 | 0 | 112.7 | I72 L73 K78 S79 L80 | I72-N76 PolarHBondContact O-N 3.49Å; I72-N76 VanDerWaalsContact O-N 3.11Å; I72-N76 PolarHBondContact O-ND2 3.33Å; L73-N76 CarbonylContact O-C 3.46Å; L73-N76 WeakPolarHBondContact O-CA 3.4Å; L73-N76 WeakPolarHBondContact O-CB 3.45Å; L73-N76 PolarHBondContact O-N 3.23Å; N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 3.42Å; N76-S79 CarbonylContact O-C 3.47Å; N76-S79 WeakPolarHBondContact O-CA 3.34Å; N76-S79 WeakPolarHBondContact O-CB 3.22Å; N76-S79 PolarHBondContact O-N 2.99Å; N76-L80 WeakPolarHBondContact O-CB 3.28Å; N76-L80 PolarHBondContact O-N 2.95Å |
| 77 | D | 57.3 | Low | 65.3 | Low | 52 Ų | 52 | 104.5 Ų | 104.5 | 28% | 0.278 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -52.6 | -49.4 | 172.9 | -77.3 | -10.8 | 0 | 0 | 0 | 109.8 | L73 S79 L80 E81 | L73-D77 PolarHBondContact O-N 3.03Å; D77-S79 PolarHBondContact O-N 3.41Å; D77-L80 CarbonylContact O-C 3.56Å; D77-L80 PolarHBondContact O-N 2.83Å; D77-E81 WeakPolarHBondContact CA-OE1 3.27Å; D77-E81 WeakPolarHBondContact CB-OE1 3.33Å; D77-E81 WeakPolarHBondContact CB-OE2 2.98Å; D77-E81 WeakPolarHBondContact O-CB 3.36Å; D77-E81 PolarHBondContact O-N 2.95Å |
| 78 | K | 54.9 | Low | 64 | Low | 149 Ų | 149 | 100.2 Ų | 100.2 | 65% | 0.648 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.2 | -25.6 | 175.9 | -58.1 | 179.3 | -175.4 | -174.4 | 0 | 114.4 | N76 E81 D82 | N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 3.42Å; K78-E81 PolarHBondContact N-OE2 2.77Å; K78-D82 WeakPolarHBondContact O-CB 3.25Å |
| 79 | S | 53.9 | Low | 62.5 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -88 | -29.5 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | N76 D77 V83 | N76-S79 CarbonylContact O-C 3.47Å; N76-S79 WeakPolarHBondContact O-CA 3.34Å; N76-S79 WeakPolarHBondContact O-CB 3.22Å; N76-S79 PolarHBondContact O-N 2.99Å; D77-S79 PolarHBondContact O-N 3.41Å; S79-V83 VanDerWaalsContact O-CG2 3.23Å; S79-V83 WeakPolarHBondContact O-CG2 3.34Å; S79-V83 PolarHBondContact O-N 3.33Å |
| 80 | L | 55.3 | Low | 61.1 | Low | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88.4 | -40 | -176.7 | -170.3 | 147.8 | 0 | 0 | 0 | 111.7 | N76 D77 D82 V83 Y84 | N76-L80 WeakPolarHBondContact O-CB 3.28Å; N76-L80 PolarHBondContact O-N 2.95Å; D77-L80 CarbonylContact O-C 3.56Å; D77-L80 PolarHBondContact O-N 2.83Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 3.35Å; L80-V83 PolarHBondContact O-N 3.44Å; L80-Y84 VanDerWaalsContact O-CB 3.3Å; L80-Y84 WeakPolarHBondContact O-CB 3.4Å; L80-Y84 PolarHBondContact O-N 2.67Å |
| 81 | E | 55.7 | Low | 60 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 166.6 | -78.5 | 106.3 | -135.9 | 0 | 0 | 110.6 | D77 K78 V83 Y84 Y85 | D77-E81 WeakPolarHBondContact CA-OE1 3.27Å; D77-E81 WeakPolarHBondContact CB-OE1 3.33Å; D77-E81 WeakPolarHBondContact CB-OE2 2.98Å; D77-E81 WeakPolarHBondContact O-CB 3.36Å; D77-E81 PolarHBondContact O-N 2.95Å; K78-E81 PolarHBondContact N-OE2 2.77Å; E81-V83 PolarHBondContact O-N 3.43Å; E81-Y84 PolarHBondContact O-N 3.32Å; E81-Y85 HydrophobicContact CB-CD2 4.29Å; E81-Y85 WeakPolarHBondContact O-CB 3.3Å; E81-Y85 VanDerWaalsContact O-CD2 3.31Å; E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.28Å |
| 82 | D | 55.1 | Low | 59.1 | Low | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -38.4 | 179.9 | -159 | 23.2 | 0 | 0 | 0 | 111.4 | K78 L80 S86 | K78-D82 WeakPolarHBondContact O-CB 3.25Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 3.35Å; D82-S86 WeakPolarHBondContact O-CB 3.18Å; D82-S86 PolarHBondContact O-N 2.89Å; D82-S86 PolarHBondContact O-OG 3.28Å |
| 83 | V | 61.2 | Low | 58.3 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 112 | S79 L80 E81 N87 | S79-V83 VanDerWaalsContact O-CG2 3.23Å; S79-V83 WeakPolarHBondContact O-CG2 3.34Å; S79-V83 PolarHBondContact O-N 3.33Å; L80-V83 PolarHBondContact O-N 3.44Å; E81-V83 PolarHBondContact O-N 3.43Å; V83-N87 PolarHBondContact O-N 3.46Å |
| 84 | Y | 55.8 | Low | 57.8 | Low | 155 Ų | 155 | 112 Ų | 112 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.7 | -45.4 | -178.2 | -167.9 | -103.2 | 0 | 0 | 0 | 112 | L80 E81 N87 L88 | L80-Y84 VanDerWaalsContact O-CB 3.3Å; L80-Y84 WeakPolarHBondContact O-CB 3.4Å; L80-Y84 PolarHBondContact O-N 2.67Å; E81-Y84 PolarHBondContact O-N 3.32Å; Y84-N87 PolarHBondContact O-N 3.42Å; Y84-L88 HydrophobicContact CD1-CD1 3.97Å; Y84-L88 HydrophobicContact CE1-CD1 3.82Å; Y84-L88 HydrophobicContact CG-CD1 4.47Å; Y84-L88 WeakPolarHBondContact O-CD1 3.32Å; Y84-L88 PolarHBondContact O-N 3.45Å |
| 85 | Y | 55.6 | Low | 57.5 | Low | 154 Ų | 154 | 110.7 Ų | 110.7 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.2 | -30.9 | 177.9 | -82.2 | -80.6 | 0 | 0 | 0 | 113.5 | E81 N87 L88 T89 | E81-Y85 HydrophobicContact CB-CD2 4.29Å; E81-Y85 WeakPolarHBondContact O-CB 3.3Å; E81-Y85 VanDerWaalsContact O-CD2 3.31Å; E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.28Å; Y85-N87 VanDerWaalsContact C-N 3.26Å; Y85-N87 PolarHBondContact O-N 3.48Å; Y85-L88 PolarHBondContact O-N 2.94Å; Y85-T89 PolarHBondContact O-N 3.33Å; Y85-T89 PolarHBondContact O-OG1 3Å; Y85-T89 VanDerWaalsContact O-OG1 3.06Å |
| 86 | S | 58.2 | Low | 57.1 | Low | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 172.6 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | D82 T89 S90 | D82-S86 WeakPolarHBondContact O-CB 3.18Å; D82-S86 PolarHBondContact O-N 2.89Å; D82-S86 PolarHBondContact O-OG 3.28Å; S86-T89 PolarHBondContact O-N 3.35Å; S86-S90 PolarHBondContact O-N 2.82Å; S86-S90 PolarHBondContact O-OG 3.09Å; S86-S90 VanDerWaalsContact O-OG 3.12Å |
| 87 | N | 56.9 | Low | 56.8 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.9 | -38.5 | -177.9 | -150.4 | -34.3 | 0 | 0 | 0 | 112.4 | V83 Y84 Y85 T89 S90 E91 | V83-N87 PolarHBondContact O-N 3.46Å; Y84-N87 PolarHBondContact O-N 3.42Å; Y85-N87 VanDerWaalsContact C-N 3.26Å; Y85-N87 PolarHBondContact O-N 3.48Å; N87-T89 PolarHBondContact O-N 3.48Å; N87-S90 WeakPolarHBondContact CA-OG 3.01Å; N87-S90 PolarHBondContact O-N 2.88Å; N87-S90 PolarHBondContact O-OG 3.13Å; N87-E91 WeakPolarHBondContact O-CB 3.44Å; N87-E91 PolarHBondContact O-N 2.89Å |
| 88 | L | 60 | Low | 56.4 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 49% | 0.492 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -37.7 | 175.6 | -87 | 101.4 | 0 | 0 | 0 | 112.9 | Y84 Y85 L92 | Y84-L88 HydrophobicContact CD1-CD1 3.97Å; Y84-L88 HydrophobicContact CE1-CD1 3.82Å; Y84-L88 HydrophobicContact CG-CD1 4.47Å; Y84-L88 WeakPolarHBondContact O-CD1 3.32Å; Y84-L88 PolarHBondContact O-N 3.45Å; Y85-L88 PolarHBondContact O-N 2.94Å; L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 PolarHBondContact O-N 3.32Å |
| 89 | T | 57.8 | Low | 56.2 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.6 | -34.9 | 179.4 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | Y85 S86 N87 K93 | Y85-T89 PolarHBondContact O-N 3.33Å; Y85-T89 PolarHBondContact O-OG1 3Å; Y85-T89 VanDerWaalsContact O-OG1 3.06Å; S86-T89 PolarHBondContact O-N 3.35Å; N87-T89 PolarHBondContact O-N 3.48Å; T89-K93 VanDerWaalsContact O-CB 3.26Å; T89-K93 WeakPolarHBondContact O-CB 3.09Å; T89-K93 PolarHBondContact O-N 3.46Å |
| 90 | S | 57.2 | Low | 55.9 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 45% | 0.448 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71 | -40.6 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | S86 N87 K93 M94 | S86-S90 PolarHBondContact O-N 2.82Å; S86-S90 PolarHBondContact O-OG 3.09Å; S86-S90 VanDerWaalsContact O-OG 3.12Å; N87-S90 WeakPolarHBondContact CA-OG 3.01Å; N87-S90 PolarHBondContact O-N 2.88Å; N87-S90 PolarHBondContact O-OG 3.13Å; S90-K93 PolarHBondContact O-N 3.37Å; S90-M94 PolarHBondContact O-N 3.15Å |
| 91 | E | 58.4 | Low | 55.4 | Low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -45.6 | 174.4 | -88.8 | -95.9 | 142.2 | 0 | 0 | 111.2 | N87 K93 M94 K95 | N87-E91 WeakPolarHBondContact O-CB 3.44Å; N87-E91 PolarHBondContact O-N 2.89Å; E91-K93 PolarHBondContact O-N 3.08Å; E91-M94 PolarHBondContact O-N 3.44Å; E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 WeakPolarHBondContact O-CG 3.29Å; E91-K95 PolarHBondContact O-N 3.17Å |
| 92 | L | 58.3 | Low | 55.1 | Low | 133 Ų | 133 | 113.2 Ų | 113.2 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66 | -37.2 | 178.2 | -172.3 | 64.6 | 0 | 0 | 0 | 111.9 | L88 G96 | L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 PolarHBondContact O-N 3.32Å; L92-G96 PolarHBondContact O-N 2.86Å |
| 93 | K | 59.3 | Low | 54.9 | Low | 157 Ų | 157 | 116.5 Ų | 116.5 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.5 | -40.6 | 175.4 | -172.8 | -175.5 | 173.8 | -173.5 | 0 | 112.1 | T89 S90 E91 L97 | T89-K93 VanDerWaalsContact O-CB 3.26Å; T89-K93 WeakPolarHBondContact O-CB 3.09Å; T89-K93 PolarHBondContact O-N 3.46Å; S90-K93 PolarHBondContact O-N 3.37Å; E91-K93 PolarHBondContact O-N 3.08Å; K93-L97 VanDerWaalsContact O-CB 3.23Å; K93-L97 WeakPolarHBondContact O-CB 3.37Å; K93-L97 PolarHBondContact O-N 2.8Å |
| 94 | M | 57 | Low | 53.8 | Low | 142 Ų | 142 | 117.8 Ų | 117.8 | 70% | 0.7 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66 | -42.4 | 175.2 | -86.9 | -127.9 | 93.3 | 0 | 0 | 112 | S90 E91 L97 Q98 | S90-M94 PolarHBondContact O-N 3.15Å; E91-M94 PolarHBondContact O-N 3.44Å; M94-L97 PolarHBondContact O-N 3.03Å; M94-Q98 WeakPolarHBondContact O-CB 3.43Å; M94-Q98 PolarHBondContact O-N 3.35Å |
| 95 | K | 58.7 | Low | 53.4 | Low | 148 Ų | 148 | 116.1 Ų | 116.1 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.8 | -37.7 | 176 | -71 | -175.9 | -179.3 | -140.9 | 0 | 112.5 | E91 Q98 G99 | E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 WeakPolarHBondContact O-CG 3.29Å; E91-K95 PolarHBondContact O-N 3.17Å; K95-Q98 PolarHBondContact O-N 2.91Å; K95-G99 PolarHBondContact O-N 3.19Å |
| 96 | G | 54 | Low | 52.8 | Low | 48 Ų | 48 | 113.6 Ų | 113.6 | 50% | 0.495 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -31.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L92 K100 | L92-G96 PolarHBondContact O-N 2.86Å; G96-K100 PolarHBondContact O-N 3.45Å |
| 97 | L | 51.8 | Low | 51.9 | Low | 101 Ų | 101 | 117.7 Ų | 117.7 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -76.8 | -36.5 | 175.1 | -156.8 | 77.4 | 0 | 0 | 0 | 111.6 | K93 M94 G99 K100 V101 | K93-L97 VanDerWaalsContact O-CB 3.23Å; K93-L97 WeakPolarHBondContact O-CB 3.37Å; K93-L97 PolarHBondContact O-N 2.8Å; M94-L97 PolarHBondContact O-N 3.03Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact O-N 3.04Å; L97-V101 HydrophobicContact CG-CG2 4.48Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.27Å; L97-V101 PolarHBondContact O-N 3.17Å |
| 98 | Q | 50.3 | Low | 51.3 | Low | 165 Ų | 165 | 118.6 Ų | 118.6 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.5 | -34.6 | 176.9 | -153 | -161.4 | 71 | 0 | 0 | 112.2 | M94 K95 K100 | M94-Q98 WeakPolarHBondContact O-CB 3.43Å; M94-Q98 PolarHBondContact O-N 3.35Å; K95-Q98 PolarHBondContact O-N 2.91Å; Q98-K100 VanDerWaalsContact C-N 3.32Å; Q98-K100 PolarHBondContact O-N 2.81Å |
| 99 | G | 49.8 | Very low | 50.5 | Low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -17.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | K95 L97 | K95-G99 PolarHBondContact O-N 3.19Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.91Å |
| 100 | K | 48.4 | Very low | 49.9 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 74% | 0.739 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -7.4 | -176.8 | -159 | 174.5 | 172.7 | 177.7 | 0 | 114 | G96 L97 Q98 | G96-K100 PolarHBondContact O-N 3.45Å; L97-K100 PolarHBondContact O-N 3.04Å; Q98-K100 VanDerWaalsContact C-N 3.32Å; Q98-K100 PolarHBondContact O-N 2.81Å |
| 101 | V | 45.1 | Very low | 49.2 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -85.1 | -13.8 | 177.4 | 166.8 | 0 | 0 | 0 | 0 | 113.1 | L97 | L97-V101 HydrophobicContact CG-CG2 4.48Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.27Å; L97-V101 PolarHBondContact O-N 3.17Å |
| 102 | A | 49.3 | Very low | 48.4 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -86.9 | -11.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 103 | K | 50.6 | Low | 47.7 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -148.5 | 89.8 | -177.8 | -69.5 | -177.1 | -179.4 | 174.2 | 0 | 111.5 | ||
| 104 | C | 37.3 | Very low | 47.2 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | 167 | 94.9 | 134 | -91.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 105 | S | 47.2 | Very low | 46.6 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -67.5 | 140.7 | 145.6 | -177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 106 | S | 43 | Very low | 45.8 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 87 | 121.1 | 160.6 | -151.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 107 | L | 39.7 | Very low | 45.1 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 96.6 | 99.8 | 137.7 | -139.4 | 80.6 | 0 | 0 | 0 | 120.3 | ||||
| 108 | T | 45.3 | Very low | 44.4 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | 29.7 | 131.1 | 125.8 | -44.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 109 | I | 41.3 | Very low | 43.9 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | 173.7 | 103.3 | 134.7 | -85.7 | 148.8 | 0 | 0 | 0 | 106.8 | ||||
| 110 | S | 45.9 | Very low | 43.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 63.6 | 105.3 | 87.1 | 174.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 111 | N | 41.8 | Very low | 42.8 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -160.2 | 147.2 | 114.8 | -135.7 | -69.1 | 0 | 0 | 0 | 113.8 | |||||
| 112 | R | 43.3 | Very low | 42.4 | Very low | 218 Ų | 218 | 137.4 Ų | 137.4 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 124.3 | -176.6 | 165.1 | -164.1 | -98.8 | -176.1 | -9.5 | 109.7 | V114 | R112-V114 HydrophobicContact CG-CG2 4.49Š| ||
| 113 | A | 42.6 | Very low | 41.6 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -137.9 | 105.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | L115 | A113-L115 PolarHBondContact O-N 3.12Š| ||
| 114 | V | 49.3 | Very low | 40.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -52.9 | 128.2 | 172.2 | 166.6 | 0 | 0 | 0 | 0 | 109 | R112 | R112-V114 HydrophobicContact CG-CG2 4.49Š| ||
| 115 | L | 44.3 | Very low | 41.1 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -171.9 | 113.7 | 124.6 | -90.3 | 175.9 | 0 | 0 | 0 | 108.2 | A113 | A113-L115 PolarHBondContact O-N 3.12Š| |||
| 116 | Q | 42.4 | Very low | 40.5 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -55.9 | 144.7 | 174.1 | -71.2 | 175.3 | -14.7 | 0 | 0 | 111.3 | ||||
| 117 | P | 38.5 | Very low | 40.3 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -110.9 | 100.6 | 130.8 | 12.6 | 5.5 | 0 | 0 | 0 | 106.4 | Q119 | P117-Q119 PolarHBondContact O-N 2.96Š| ||
| 118 | C | 36.8 | Very low | 40.1 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | trans | -66.4 | 98.1 | 173.4 | -167.4 | 0 | 0 | 0 | 0 | 108.2 | A120 | C118-A120 PolarHBondContact O-N 3.48Š| ||
| 119 | Q | 39.2 | Very low | 40 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -83.8 | 95.4 | 164.3 | -160.7 | -173.6 | 41.8 | 0 | 0 | 106.8 | P117 H121 | P117-Q119 PolarHBondContact O-N 2.96Å; Q119-H121 PolarHBondContact O-N 2.89Å | ||
| 120 | A | 36.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -78.2 | 108 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | C118 | C118-A120 PolarHBondContact O-N 3.48Š| ||
| 121 | H | 39 | Very low | 39.6 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | trans | -78.9 | 130.5 | 171.3 | -176.6 | -100.3 | 0 | 0 | 0 | 110.2 | Q119 | Q119-H121 PolarHBondContact O-N 2.89Š| ||
| 122 | L | 36.5 | Very low | 39.3 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 48.7 | 116.8 | 143.3 | -134.3 | 92.7 | 0 | 0 | 0 | 120.2 | ||
| 123 | G | 34.3 | Very low | 38.9 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 95.8 | 93.4 | 136 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 124 | A | 33.5 | Very low | 38.8 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -144 | 114.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 125 | K | 42.2 | Very low | 38.5 | Very low | 218 Ų | 218 | 129.3 Ų | 129.3 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | trans | -54.5 | 134.3 | 165.2 | -177.4 | -178.3 | -176 | -177.7 | 0 | 110.3 | ||||
| 126 | G | 36.1 | Very low | 38.7 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 145.8 | 98.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 127 | G | 37.3 | Very low | 38.6 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 80.4 | 98.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 128 | S | 36.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -115.1 | 113.8 | 149.1 | 72.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 129 | S | 42.6 | Very low | 39.8 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -74.4 | 130.2 | 168.6 | 35.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 130 | G | 36.9 | Very low | 39.8 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | 104 | 158.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 131 | P | 43 | Very low | 40 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | cis | -138.1 | 114.9 | -23.4 | 33.7 | -14.5 | 0 | 0 | 0 | 111.6 | ||||
| 132 | Q | 35 | Very low | 40.1 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | trans | -142.8 | 132.6 | 171.5 | -63.7 | -160.9 | 70.6 | 0 | 0 | 113.5 | ||||
| 133 | T | 34 | Very low | 40.3 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 87% | 0.865 | 85% | 0.847 | S | S | * | * | trans | 93 | 98 | 162.3 | -22.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 134 | A | 40.7 | Very low | 40.6 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | trans | -106.3 | 119.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | T | 44.1 | Very low | 41.1 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -176.2 | 160.1 | 151.4 | -8.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 136 | P | 48.2 | Very low | 41 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 60% | 0.604 | 84% | 0.84 | S | S | * | * | cis | -132.3 | 167.4 | -9.2 | 39.5 | -23.8 | 0 | 0 | 0 | 113.4 | ||||
| 137 | E | 41.2 | Very low | 41.4 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | trans | -156.4 | 117.4 | 144.9 | -68.9 | -64.4 | 142.8 | 0 | 0 | 107.6 | ||||
| 138 | T | 41.5 | Very low | 41.8 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | trans | -100.6 | 152.9 | 167.7 | -18.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 139 | P | 57.9 | Low | 42.3 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 100% | 1.273 | 84% | 0.843 | S | S | * | * | -130.4 | 0 | 70.9 | 16 | 6.5 | 0 | 0 | 0 | 114.9 |
Retrieved 139 of 139 residues in 194.8 ms
(Link to these results)