| 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 | 46.2 | Very low | 44.1 | Very low | 244 Ų | 244 | 156.7 Ų | 156.7 | 100% | 1.202 | 83% | 0.826 | S | S | * | * | 0 | 105.8 | 0 | -96.9 | -138.2 | -104.8 | 0 | 0 | 109.9 | |||||
| 2 | R | 40.9 | Very low | 44.3 | Very low | 249 Ų | 249 | 151.8 Ų | 151.8 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | 179.3 | 105 | 130.9 | -97.3 | 175.7 | -163.7 | -155.6 | 5.5 | 109.9 | ||||
| 3 | R | 39.7 | Very low | 44.3 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | 45.1 | 110.1 | 150.8 | -76.2 | -179.6 | 178 | 156.8 | -0.9 | 120.4 | ||||
| 4 | A | 48.9 | Very low | 44.9 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | -54.9 | 136.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | A | 46.7 | Very low | 45.5 | Very low | 99 Ų | 99 | 157.3 Ų | 157.3 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -150.8 | 124.7 | 164 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | G | 42.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 156.6 Ų | 156.6 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 83.2 | 81.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | E8 | G6-E8 PolarHBondContact O-N 3.07Š| ||
| 7 | M | 47 | Very low | 47.2 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 84% | 0.837 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 106.1 | 134.4 | -91.6 | 160.7 | 69.9 | 0 | 0 | 105.4 | ||||
| 8 | E | 43.9 | Very low | 48.1 | Very low | 148 Ų | 148 | 158 Ų | 158 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -102.6 | 94.8 | 160 | -71.7 | 179.9 | 156.6 | 0 | 0 | 106.3 | G6 F10 | G6-E8 PolarHBondContact O-N 3.07Å; E8-F10 HydrophobicContact CB-CD2 3.61Å; E8-F10 HydrophobicContact CB-CE2 3.55Å; E8-F10 HydrophobicContact CG-CE2 4.03Å; E8-F10 PolarHBondContact O-N 2.86Å; E8-F10 WeakPolarHBondContact OE2-CE2 3.11Å | ||
| 9 | D | 50.4 | Low | 48.8 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 86.6 | 156 | -68 | -45.2 | 0 | 0 | 0 | 107.3 | S11 | D9-S11 PolarHBondContact O-N 3.02Š| ||
| 10 | F | 41.2 | Very low | 50.4 | Low | 165 Ų | 165 | 156.5 Ų | 156.5 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 96.7 | 160.5 | -81 | -77.4 | 0 | 0 | 0 | 106.9 | E8 | E8-F10 HydrophobicContact CB-CD2 3.61Å; E8-F10 HydrophobicContact CB-CE2 3.55Å; E8-F10 HydrophobicContact CG-CE2 4.03Å; E8-F10 PolarHBondContact O-N 2.86Å; E8-F10 WeakPolarHBondContact OE2-CE2 3.11Å | ||
| 11 | S | 38.3 | Very low | 51.8 | Low | 91 Ų | 91 | 156 Ų | 156 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 21.3 | 116.6 | 141.6 | -42.5 | 0 | 0 | 0 | 0 | 113.9 | D9 E13 | D9-S11 PolarHBondContact O-N 3.02Å; S11-E13 PolarHBondContact O-N 3.38Å | ||
| 12 | A | 46.4 | Very low | 53.6 | Low | 97 Ų | 97 | 151 Ų | 151 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -51.7 | 97.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | E14 | A12-E14 PolarHBondContact O-N 2.76Š| ||
| 13 | E | 43.6 | Very low | 55.8 | Low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -55 | 104.7 | 160.3 | -75.2 | -179.8 | 163 | 0 | 0 | 102.7 | S11 E15 | S11-E13 PolarHBondContact O-N 3.38Å; E13-E15 PolarHBondContact O-N 3.01Å | ||
| 14 | E | 52.9 | Low | 58 | Low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -53.8 | 98.9 | 163.8 | -71 | 178.4 | 160.8 | 0 | 0 | 104.2 | A12 E16 | A12-E14 PolarHBondContact O-N 2.76Å; E14-E16 PolarHBondContact O-N 2.97Å | ||
| 15 | E | 53.8 | Low | 59.9 | Low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | trans | -46.7 | 115.1 | 174.4 | -88.7 | 178.2 | 149.2 | 0 | 0 | 106.3 | E13 | E13-E15 PolarHBondContact O-N 3.01Š| ||
| 16 | E | 58.8 | Low | 62 | Low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | -44.3 | 126.9 | 176 | -77.6 | 178.7 | 143.1 | 0 | 0 | 108.2 | E14 W18 | E14-E16 PolarHBondContact O-N 2.97Å; E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 3.43Å | ||
| 17 | P | 60.6 | Low | 64.5 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | trans | -62.7 | 96.9 | 179 | -23.2 | 33.6 | 0 | 0 | 0 | 109.2 | Y19 | P17-Y19 PolarHBondContact O-N 3.39Š| ||
| 18 | W | 63.5 | Low | 66.7 | Low | 217 Ų | 217 | 135.2 Ų | 135.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -66.8 | 13.8 | -177.7 | -79.6 | 90.7 | 0 | 0 | 0 | 114.1 | E16 | E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 3.43Å |
| 19 | Y | 62 | Low | 69 | Low | 164 Ų | 164 | 134.1 Ų | 134.1 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -140.7 | 127 | 175.3 | -77.5 | -85.3 | 0 | 0 | 0 | 109.7 | P17 Q21 | P17-Y19 PolarHBondContact O-N 3.39Å; Y19-Q21 PolarHBondContact O-N 2.79Å |
| 20 | D | 80.9 | Confident | 71.2 | Confident | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 65% | 0.654 | S | S | * | * | trans | -58.7 | 127.4 | 166.3 | -75.5 | -38.5 | 0 | 0 | 0 | 108.3 | Q22 D23 L24 | D20-Q22 PolarHBondContact O-N 2.88Å; D20-D23 HydrophobicContact CB-CB 4.47Å; D20-D23 PolarHBondContact O-N 3.08Å; D20-L24 PolarHBondContact O-N 3.28Å | ||
| 21 | Q | 80.8 | Confident | 73.8 | Confident | 147 Ų | 147 | 126.9 Ų | 126.9 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.8 | -29.7 | -173.6 | -175 | 166.2 | -8 | 0 | 0 | 112.7 | Y19 E25 | Y19-Q21 PolarHBondContact O-N 2.79Å; Q21-E25 VanDerWaalsContact O-CG 3.24Å; Q21-E25 WeakPolarHBondContact O-CG 3.36Å; Q21-E25 PolarHBondContact O-N 2.85Å; Q21-E25 VanDerWaalsContact O-N 3.12Å |
| 22 | Q | 83.1 | Confident | 76.5 | Confident | 139 Ų | 139 | 125.6 Ų | 125.6 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -31.2 | 176 | -73.6 | 171 | -1.1 | 0 | 0 | 113.6 | D20 Q26 | D20-Q22 PolarHBondContact O-N 2.88Å; Q22-Q26 VanDerWaalsContact O-CG 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.43Å; Q22-Q26 PolarHBondContact O-NE2 3Å |
| 23 | D | 86.6 | Confident | 78.9 | Confident | 74 Ų | 74 | 126.9 Ų | 126.9 | 40% | 0.396 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.7 | -39.5 | 179.2 | -70.9 | -13.3 | 0 | 0 | 0 | 110.4 | D20 E25 Q26 D27 | D20-D23 HydrophobicContact CB-CB 4.47Å; D20-D23 PolarHBondContact O-N 3.08Å; D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 2.81Å; D23-Q26 PolarHBondContact O-N 2.88Å; D23-D27 PolarHBondContact O-N 3.32Å |
| 24 | L | 87.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 123.5 Ų | 123.5 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.1 | -40.9 | 171.3 | -177.8 | 63.8 | 0 | 0 | 0 | 111.7 | D20 L28 | D20-L24 PolarHBondContact O-N 3.28Å; L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.17Å; L24-L28 PolarHBondContact O-N 3.16Å |
| 25 | E | 88.4 | Confident | 83.5 | Confident | 93 Ų | 93 | 116 Ų | 116 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 175 | -76.6 | 170.3 | -170 | 0 | 0 | 111.6 | Q21 D23 L28 H29 | Q21-E25 VanDerWaalsContact O-CG 3.24Å; Q21-E25 WeakPolarHBondContact O-CG 3.36Å; Q21-E25 PolarHBondContact O-N 2.85Å; Q21-E25 VanDerWaalsContact O-N 3.12Å; D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 2.81Å; E25-L28 PolarHBondContact O-N 3.26Å; E25-H29 PolarHBondContact O-N 2.99Å; E25-H29 PolarHBondContact O-ND1 3.49Å |
| 26 | Q | 90 | Very high | 85.6 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -46.1 | 177.6 | -75.2 | 164.8 | 64 | 0 | 0 | 112.6 | Q22 D23 L28 H29 L30 | Q22-Q26 VanDerWaalsContact O-CG 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.43Å; Q22-Q26 PolarHBondContact O-NE2 3Å; D23-Q26 PolarHBondContact O-N 2.88Å; Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 PolarHBondContact O-N 2.89Å; Q26-H29 PolarHBondContact O-N 3.46Å; Q26-L30 PolarHBondContact O-N 2.97Å |
| 27 | D | 93.9 | Very high | 87.4 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.8 | -37.4 | 177.2 | -79 | -15.9 | 0 | 0 | 0 | 111.6 | D23 L30 A31 | D23-D27 PolarHBondContact O-N 3.32Å; D27-L30 PolarHBondContact O-N 3.42Å; D27-A31 VanDerWaalsContact O-CB 3.32Å; D27-A31 WeakPolarHBondContact O-CB 2.84Å; D27-A31 PolarHBondContact O-N 3.28Å |
| 28 | L | 93.4 | Very high | 89.2 | Confident | 122 Ų | 122 | 110.6 Ų | 110.6 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -42.5 | 174.8 | -172.4 | 70.2 | 0 | 0 | 0 | 111.9 | L24 E25 Q26 A31 A32 | L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.17Å; L24-L28 PolarHBondContact O-N 3.16Å; E25-L28 PolarHBondContact O-N 3.26Å; Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 PolarHBondContact O-N 2.89Å; L28-A31 PolarHBondContact O-N 3.37Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 2.91Å |
| 29 | H | 93.9 | Very high | 90.8 | Very high | 124 Ų | 124 | 105.3 Ų | 105.3 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 174.6 | -77.1 | 90 | 0 | 0 | 0 | 111.2 | E25 Q26 A31 A32 E33 | E25-H29 PolarHBondContact O-N 2.99Å; E25-H29 PolarHBondContact O-ND1 3.49Å; Q26-H29 PolarHBondContact O-N 3.46Å; H29-A31 PolarHBondContact O-N 2.87Å; H29-A32 WeakPolarHBondContact O-CB 3.15Å; H29-A32 PolarHBondContact O-N 3.48Å; H29-E33 WeakPolarHBondContact O-CG 3.32Å; H29-E33 PolarHBondContact O-N 2.81Å |
| 30 | L | 95.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.2 | -176.5 | 65.6 | 0 | 0 | 0 | 111.9 | Q26 D27 A32 E33 L34 | Q26-L30 PolarHBondContact O-N 2.97Å; D27-L30 PolarHBondContact O-N 3.42Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.45Å; L30-E33 PolarHBondContact O-N 3.38Å; L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.91Å |
| 31 | A | 96 | Very high | 93.3 | Very high | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D27 L28 H29 G35 | D27-A31 VanDerWaalsContact O-CB 3.32Å; D27-A31 WeakPolarHBondContact O-CB 2.84Å; D27-A31 PolarHBondContact O-N 3.28Å; L28-A31 PolarHBondContact O-N 3.37Å; H29-A31 PolarHBondContact O-N 2.87Å; A31-G35 PolarHBondContact O-N 3.19Å |
| 32 | A | 95.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 100.4 Ų | 100.4 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 H29 L30 G35 K36 | L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 2.91Å; H29-A32 WeakPolarHBondContact O-CB 3.15Å; H29-A32 PolarHBondContact O-N 3.48Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.45Å; A32-G35 PolarHBondContact O-N 3.17Å; A32-K36 WeakPolarHBondContact O-CB 3.46Å; A32-K36 PolarHBondContact O-N 2.91Å |
| 33 | E | 95.8 | Very high | 94.8 | Very high | 125 Ų | 125 | 100.4 Ų | 100.4 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 175.6 | -73.7 | -176.9 | 173.1 | 0 | 0 | 112.1 | H29 L30 K36 T37 | H29-E33 WeakPolarHBondContact O-CG 3.32Å; H29-E33 PolarHBondContact O-N 2.81Å; L30-E33 PolarHBondContact O-N 3.38Å; E33-K36 PolarHBondContact O-N 2.67Å; E33-T37 PolarHBondContact O-N 3.02Å; E33-T37 PolarHBondContact O-OG1 3.39Å |
| 34 | L | 96.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 174 | -73 | 172.1 | 0 | 0 | 0 | 111.4 | L30 K36 T37 L38 | L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.44Å; L34-T37 PolarHBondContact O-N 2.86Å; L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 3.2Å |
| 35 | G | 97.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 102.9 Ų | 102.9 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A31 A32 L38 L39 | A31-G35 PolarHBondContact O-N 3.19Å; A32-G35 PolarHBondContact O-N 3.17Å; G35-L38 PolarHBondContact O-N 2.97Å; G35-L39 WeakPolarHBondContact O-CB 3.43Å; G35-L39 VanDerWaalsContact O-CG 3.27Å; G35-L39 WeakPolarHBondContact O-CG 3.21Å; G35-L39 PolarHBondContact O-N 2.88Å |
| 36 | K | 97.7 | Very high | 96.3 | Very high | 130 Ų | 130 | 103.3 Ų | 103.3 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 174.6 | -178.7 | -179.9 | 171.7 | -173.8 | 0 | 111.7 | A32 E33 L34 L38 L39 E40 | A32-K36 WeakPolarHBondContact O-CB 3.46Å; A32-K36 PolarHBondContact O-N 2.91Å; E33-K36 PolarHBondContact O-N 2.67Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.44Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-L38 PolarHBondContact O-N 3.46Å; K36-L39 PolarHBondContact O-N 3.44Å; K36-E40 WeakPolarHBondContact CE-OE1 3.26Å; K36-E40 WeakPolarHBondContact CG-OE1 3.27Å; K36-E40 WeakPolarHBondContact O-CB 3.34Å; K36-E40 WeakPolarHBondContact O-CG 3.2Å; K36-E40 PolarHBondContact O-N 2.89Å |
| 37 | T | 96.7 | Very high | 96.7 | Very high | 83 Ų | 83 | 99.5 Ų | 99.5 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 179.2 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | E33 L34 E40 R41 | E33-T37 PolarHBondContact O-N 3.02Å; E33-T37 PolarHBondContact O-OG1 3.39Å; L34-T37 PolarHBondContact O-N 2.86Å; T37-E40 PolarHBondContact O-N 3.37Å; T37-R41 WeakPolarHBondContact O-CB 3.49Å; T37-R41 PolarHBondContact O-N 3.49Å |
| 38 | L | 98 | Very high | 96.9 | Very high | 119 Ų | 119 | 97.5 Ų | 97.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 176.2 | -73.5 | 173.1 | 0 | 0 | 0 | 111.8 | L34 G35 K36 R41 N42 | L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 3.2Å; G35-L38 PolarHBondContact O-N 2.97Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-L38 PolarHBondContact O-N 3.46Å; L38-R41 PolarHBondContact O-N 2.83Å; L38-N42 VanDerWaalsContact O-CB 3.24Å; L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.91Å |
| 39 | L | 98 | Very high | 97.1 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 175 | -74.5 | 171.1 | 0 | 0 | 0 | 112 | G35 K36 N42 K43 | G35-L39 WeakPolarHBondContact O-CB 3.43Å; G35-L39 VanDerWaalsContact O-CG 3.27Å; G35-L39 WeakPolarHBondContact O-CG 3.21Å; G35-L39 PolarHBondContact O-N 2.88Å; K36-L39 PolarHBondContact O-N 3.44Å; L39-N42 PolarHBondContact O-N 2.89Å; L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 VanDerWaalsContact O-CG 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 2.94Å |
| 40 | E | 97 | Very high | 97.3 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 174.9 | -74.8 | 170.6 | -179.4 | 0 | 0 | 110.8 | K36 T37 N42 K43 E44 | K36-E40 WeakPolarHBondContact CE-OE1 3.26Å; K36-E40 WeakPolarHBondContact CG-OE1 3.27Å; K36-E40 WeakPolarHBondContact O-CB 3.34Å; K36-E40 WeakPolarHBondContact O-CG 3.2Å; K36-E40 PolarHBondContact O-N 2.89Å; T37-E40 PolarHBondContact O-N 3.37Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.44Å; E40-K43 PolarHBondContact O-N 3.44Å; E40-E44 WeakPolarHBondContact O-CG 3.35Å; E40-E44 PolarHBondContact O-N 2.86Å |
| 41 | R | 97.4 | Very high | 97.4 | Very high | 160 Ų | 160 | 98.5 Ų | 98.5 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | 175.2 | -172.4 | 179.2 | -178.4 | 84.4 | 0.6 | 112.4 | T37 L38 E44 L45 | T37-R41 WeakPolarHBondContact O-CB 3.49Å; T37-R41 PolarHBondContact O-N 3.49Å; L38-R41 PolarHBondContact O-N 2.83Å; R41-E44 PolarHBondContact O-N 2.9Å; R41-L45 HydrophobicContact CG-CD1 4.4Å; R41-L45 VanDerWaalsContact O-CG 3.27Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.31Å |
| 42 | N | 97.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 101.7 Ų | 101.7 | 43% | 0.428 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 177.8 | -169 | -97 | 0 | 0 | 0 | 111.1 | L38 L39 E40 E44 L45 E46 | L38-N42 VanDerWaalsContact O-CB 3.24Å; L38-N42 WeakPolarHBondContact O-CB 3.4Å; L38-N42 PolarHBondContact O-N 2.91Å; L39-N42 PolarHBondContact O-N 2.89Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.44Å; N42-E44 PolarHBondContact O-N 3.29Å; N42-L45 PolarHBondContact O-N 3.49Å; N42-E46 WeakPolarHBondContact O-CG 3.24Å; N42-E46 PolarHBondContact O-N 3.46Å; N42-E46 PolarHBondContact OD1-OE1 3.03Å |
| 43 | K | 97.9 | Very high | 97.6 | Very high | 138 Ų | 138 | 105.5 Ų | 105.5 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 173.3 | -73.6 | 173 | -177.5 | 177.9 | 0 | 112.9 | L39 E40 E46 G47 | L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 VanDerWaalsContact O-CG 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 2.94Å; E40-K43 PolarHBondContact O-N 3.44Å; K43-E46 PolarHBondContact O-N 2.91Å; K43-G47 PolarHBondContact O-N 3.29Å |
| 44 | E | 98 | Very high | 97.8 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 174.5 | -73.4 | 174.3 | 178.9 | 0 | 0 | 111.5 | E40 R41 N42 G47 S48 | E40-E44 WeakPolarHBondContact O-CG 3.35Å; E40-E44 PolarHBondContact O-N 2.86Å; R41-E44 PolarHBondContact O-N 2.9Å; N42-E44 PolarHBondContact O-N 3.29Å; E44-G47 PolarHBondContact O-N 2.89Å; E44-S48 WeakPolarHBondContact O-CB 3.46Å; E44-S48 PolarHBondContact O-N 2.96Å; E44-S48 PolarHBondContact O-OG 3.29Å |
| 45 | L | 98 | Very high | 97.8 | Very high | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.1 | -72 | 171.9 | 0 | 0 | 0 | 111.4 | R41 N42 G47 S48 L49 | R41-L45 HydrophobicContact CG-CD1 4.4Å; R41-L45 VanDerWaalsContact O-CG 3.27Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.31Å; N42-L45 PolarHBondContact O-N 3.49Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 2.73Å; L45-S48 WeakPolarHBondContact CA-OG 3.34Å; L45-S48 PolarHBondContact O-N 3.46Å; L45-S48 PolarHBondContact O-OG 3.06Å; L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 PolarHBondContact O-N 3.15Å |
| 46 | E | 97.5 | Very high | 97.9 | Very high | 102 Ų | 102 | 102.4 Ų | 102.4 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.1 | -72.9 | 176.8 | 162.2 | 0 | 0 | 111.5 | N42 K43 L49 Q50 | N42-E46 WeakPolarHBondContact O-CG 3.24Å; N42-E46 PolarHBondContact O-N 3.46Å; N42-E46 PolarHBondContact OD1-OE1 3.03Å; K43-E46 PolarHBondContact O-N 2.91Å; E46-L49 PolarHBondContact O-N 3.38Å; E46-Q50 WeakPolarHBondContact O-CG 3.29Å; E46-Q50 PolarHBondContact O-N 3.26Å |
| 47 | G | 98.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 101.9 Ų | 101.9 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K43 E44 L45 L49 Q50 Q51 | K43-G47 PolarHBondContact O-N 3.29Å; E44-G47 PolarHBondContact O-N 2.89Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 2.73Å; G47-L49 VanDerWaalsContact C-N 3.32Å; G47-L49 PolarHBondContact O-N 2.91Å; G47-Q50 PolarHBondContact O-N 3.34Å; G47-Q51 WeakPolarHBondContact O-CB 3.43Å; G47-Q51 PolarHBondContact O-N 3.27Å |
| 48 | S | 97.9 | Very high | 98 | Very high | 57 Ų | 57 | 103.4 Ų | 103.4 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | E44 L45 Q51 M52 | E44-S48 WeakPolarHBondContact O-CB 3.46Å; E44-S48 PolarHBondContact O-N 2.96Å; E44-S48 PolarHBondContact O-OG 3.29Å; L45-S48 WeakPolarHBondContact CA-OG 3.34Å; L45-S48 PolarHBondContact O-N 3.46Å; L45-S48 PolarHBondContact O-OG 3.06Å; S48-Q51 PolarHBondContact O-N 2.99Å; S48-M52 WeakPolarHBondContact O-CG 3.5Å; S48-M52 PolarHBondContact O-N 2.67Å |
| 49 | L | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 102.9 Ų | 102.9 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | 176.9 | -177.3 | 69 | 0 | 0 | 0 | 111.1 | L45 E46 G47 Q51 M52 Y53 | L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 PolarHBondContact O-N 3.15Å; E46-L49 PolarHBondContact O-N 3.38Å; G47-L49 VanDerWaalsContact C-N 3.32Å; G47-L49 PolarHBondContact O-N 2.91Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 3.39Å; L49-M52 WeakPolarHBondContact O-CB 3.38Å; L49-M52 PolarHBondContact O-N 2.83Å; L49-Y53 HydrophobicContact CD1-CD2 4.34Å; L49-Y53 HydrophobicContact CD1-CE2 3.81Å; L49-Y53 HydrophobicContact CD2-CE2 3.84Å; L49-Y53 HydrophobicContact CG-CD2 3.9Å; L49-Y53 HydrophobicContact CG-CE2 3.5Å; L49-Y53 VanDerWaalsContact CG-CE2 3.5Å; L49-Y53 WeakPolarHBondContact O-CD2 3.37Å; L49-Y53 PolarHBondContact O-N 3.04Å |
| 50 | Q | 98.1 | Very high | 98 | Very high | 134 Ų | 134 | 100.8 Ų | 100.8 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.3 | -74.1 | 173.9 | 1.6 | 0 | 0 | 111.7 | E46 G47 M52 Y53 S54 | E46-Q50 WeakPolarHBondContact O-CG 3.29Å; E46-Q50 PolarHBondContact O-N 3.26Å; G47-Q50 PolarHBondContact O-N 3.34Å; Q50-M52 VanDerWaalsContact C-N 3.35Å; Q50-Y53 PolarHBondContact O-N 3.13Å; Q50-S54 PolarHBondContact O-N 3.36Å |
| 51 | Q | 98.3 | Very high | 98.1 | Very high | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 174.4 | -173.2 | 177.2 | 12.7 | 0 | 0 | 111.1 | G47 S48 L49 Y53 S54 T55 | G47-Q51 WeakPolarHBondContact O-CB 3.43Å; G47-Q51 PolarHBondContact O-N 3.27Å; S48-Q51 PolarHBondContact O-N 2.99Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 3.39Å; Q51-Y53 PolarHBondContact O-N 3.13Å; Q51-S54 PolarHBondContact O-N 3Å; Q51-T55 WeakPolarHBondContact O-CG2 3.35Å; Q51-T55 PolarHBondContact O-N 3.02Å; Q51-T55 PolarHBondContact O-OG1 3.24Å |
| 52 | M | 97.6 | Very high | 98.1 | Very high | 127 Ų | 127 | 100.6 Ų | 100.6 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -44.9 | 174.8 | -79.3 | -65.6 | -67.7 | 0 | 0 | 112 | S48 L49 Q50 T55 N56 | S48-M52 WeakPolarHBondContact O-CG 3.5Å; S48-M52 PolarHBondContact O-N 2.67Å; L49-M52 WeakPolarHBondContact O-CB 3.38Å; L49-M52 PolarHBondContact O-N 2.83Å; Q50-M52 VanDerWaalsContact C-N 3.35Å; M52-T55 WeakPolarHBondContact CA-OG1 3.32Å; M52-T55 PolarHBondContact O-N 3.07Å; M52-T55 PolarHBondContact O-OG1 3.41Å; M52-N56 WeakPolarHBondContact O-CB 3.45Å; M52-N56 PolarHBondContact O-N 3.44Å |
| 53 | Y | 98.3 | Very high | 98.2 | Very high | 143 Ų | 143 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -46.8 | 175 | -77.9 | -58.5 | 0 | 0 | 0 | 112.2 | L49 Q50 Q51 T55 N56 E57 | L49-Y53 HydrophobicContact CD1-CD2 4.34Å; L49-Y53 HydrophobicContact CD1-CE2 3.81Å; L49-Y53 HydrophobicContact CD2-CE2 3.84Å; L49-Y53 HydrophobicContact CG-CD2 3.9Å; L49-Y53 HydrophobicContact CG-CE2 3.5Å; L49-Y53 VanDerWaalsContact CG-CE2 3.5Å; L49-Y53 WeakPolarHBondContact O-CD2 3.37Å; L49-Y53 PolarHBondContact O-N 3.04Å; Q50-Y53 PolarHBondContact O-N 3.13Å; Q51-Y53 PolarHBondContact O-N 3.13Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.27Å; Y53-N56 WeakPolarHBondContact O-CB 2.79Å; Y53-N56 PolarHBondContact O-N 2.91Å; Y53-N56 VanDerWaalsContact O-N 3.15Å; Y53-E57 WeakPolarHBondContact O-CG 3.37Å; Y53-E57 PolarHBondContact O-N 2.9Å |
| 54 | S | 98.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 99.7 Ų | 99.7 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | Q50 Q51 N56 E57 E58 | Q50-S54 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact O-N 3Å; S54-N56 VanDerWaalsContact C-N 3.31Å; S54-N56 PolarHBondContact O-N 3.49Å; S54-E57 PolarHBondContact O-N 3.35Å; S54-E58 WeakPolarHBondContact O-CG 3.46Å; S54-E58 PolarHBondContact O-N 3.42Å; S54-E58 VanDerWaalsContact O-N 3.08Å |
| 55 | T | 98.4 | Very high | 98.2 | Very high | 47 Ų | 47 | 99.9 Ų | 99.9 | 29% | 0.288 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | Q51 M52 Y53 E58 Q59 | Q51-T55 WeakPolarHBondContact O-CG2 3.35Å; Q51-T55 PolarHBondContact O-N 3.02Å; Q51-T55 PolarHBondContact O-OG1 3.24Å; M52-T55 WeakPolarHBondContact CA-OG1 3.32Å; M52-T55 PolarHBondContact O-N 3.07Å; M52-T55 PolarHBondContact O-OG1 3.41Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.27Å; T55-E58 PolarHBondContact O-N 3.11Å; T55-Q59 VanDerWaalsContact O-CG 3.26Å; T55-Q59 WeakPolarHBondContact O-CG 3.5Å; T55-Q59 PolarHBondContact O-N 3.39Å |
| 56 | N | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.6 | -171.4 | -97.8 | 0 | 0 | 0 | 111.1 | M52 Y53 S54 E58 Q59 V60 | M52-N56 WeakPolarHBondContact O-CB 3.45Å; M52-N56 PolarHBondContact O-N 3.44Å; Y53-N56 WeakPolarHBondContact O-CB 2.79Å; Y53-N56 PolarHBondContact O-N 2.91Å; Y53-N56 VanDerWaalsContact O-N 3.15Å; S54-N56 VanDerWaalsContact C-N 3.31Å; S54-N56 PolarHBondContact O-N 3.49Å; N56-E58 PolarHBondContact O-N 2.75Å; N56-Q59 WeakPolarHBondContact O-CB 3.37Å; N56-Q59 PolarHBondContact O-N 3.26Å; N56-V60 WeakPolarHBondContact O-CG2 3.29Å; N56-V60 PolarHBondContact O-N 2.71Å |
| 57 | E | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 97.3 Ų | 97.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 174.7 | -72.4 | 176.4 | -176.5 | 0 | 0 | 112 | Y53 S54 Q59 V60 Q61 | Y53-E57 WeakPolarHBondContact O-CG 3.37Å; Y53-E57 PolarHBondContact O-N 2.9Å; S54-E57 PolarHBondContact O-N 3.35Å; E57-Q59 PolarHBondContact O-N 3.12Å; E57-V60 PolarHBondContact O-N 2.79Å; E57-Q61 WeakPolarHBondContact O-CG 3.37Å; E57-Q61 PolarHBondContact O-N 3.15Å |
| 58 | E | 98.1 | Very high | 98.3 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175 | -71.8 | 171.5 | -172.3 | 0 | 0 | 111.9 | S54 T55 N56 V60 Q61 E62 | S54-E58 WeakPolarHBondContact O-CG 3.46Å; S54-E58 PolarHBondContact O-N 3.42Å; S54-E58 VanDerWaalsContact O-N 3.08Å; T55-E58 PolarHBondContact O-N 3.11Å; N56-E58 PolarHBondContact O-N 2.75Å; E58-V60 PolarHBondContact O-N 3.23Å; E58-Q61 PolarHBondContact O-N 3.3Å; E58-E62 PolarHBondContact O-N 3.44Å |
| 59 | Q | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.6 | -74.5 | 173.6 | -11.1 | 0 | 0 | 112.2 | T55 N56 E57 Q61 E62 I63 | T55-Q59 VanDerWaalsContact O-CG 3.26Å; T55-Q59 WeakPolarHBondContact O-CG 3.5Å; T55-Q59 PolarHBondContact O-N 3.39Å; N56-Q59 WeakPolarHBondContact O-CB 3.37Å; N56-Q59 PolarHBondContact O-N 3.26Å; E57-Q59 PolarHBondContact O-N 3.12Å; Q59-Q61 VanDerWaalsContact C-N 3.34Å; Q59-E62 PolarHBondContact O-N 3.49Å; Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 3.47Å |
| 60 | V | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 102.9 Ų | 102.9 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110.3 | N56 E57 E58 E62 I63 E64 | N56-V60 WeakPolarHBondContact O-CG2 3.29Å; N56-V60 PolarHBondContact O-N 2.71Å; E57-V60 PolarHBondContact O-N 2.79Å; E58-V60 PolarHBondContact O-N 3.23Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 2.76Å; V60-I63 PolarHBondContact O-N 2.82Å; V60-E64 WeakPolarHBondContact O-CG 3.18Å; V60-E64 PolarHBondContact O-N 3.17Å |
| 61 | Q | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 100 Ų | 100 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | 176.7 | -68.4 | 171.1 | 21.5 | 0 | 0 | 112.5 | E57 E58 Q59 E64 Y65 | E57-Q61 WeakPolarHBondContact O-CG 3.37Å; E57-Q61 PolarHBondContact O-N 3.15Å; E58-Q61 PolarHBondContact O-N 3.3Å; Q59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-E64 PolarHBondContact O-N 2.95Å; Q61-Y65 WeakPolarHBondContact O-CB 3.33Å; Q61-Y65 PolarHBondContact O-N 3.07Å |
| 62 | E | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 97.7 Ų | 97.7 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 174.5 | -176.2 | 175 | -170.4 | 0 | 0 | 111.6 | E58 Q59 V60 E64 Y65 L66 | E58-E62 PolarHBondContact O-N 3.44Å; Q59-E62 PolarHBondContact O-N 3.49Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 2.76Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 2.91Å; E62-Y65 PolarHBondContact O-N 3.45Å; E62-L66 HydrophobicContact CG-CD1 4.06Å; E62-L66 HydrophobicContact CG-CG 4.39Å; E62-L66 WeakPolarHBondContact O-CB 3.37Å; E62-L66 WeakPolarHBondContact O-CG 3.45Å; E62-L66 PolarHBondContact O-N 3.37Å |
| 63 | I | 98.2 | Very high | 98.4 | Very high | 105 Ų | 105 | 97 Ų | 97 | 54% | 0.538 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 176.3 | -69.3 | 165.4 | 0 | 0 | 0 | 110.4 | Q59 V60 Y65 L66 T67 | Q59-I63 VanDerWaalsContact O-CG1 3.28Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 3.47Å; V60-I63 PolarHBondContact O-N 2.82Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 3.14Å; I63-L66 PolarHBondContact O-N 3.37Å; I63-T67 WeakPolarHBondContact O-CB 3.41Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 3.42Å |
| 64 | E | 98.5 | Very high | 98.4 | Very high | 95 Ų | 95 | 97 Ų | 97 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.7 | -73.7 | 178.6 | -165.2 | 0 | 0 | 112.3 | V60 Q61 E62 T67 K68 | V60-E64 WeakPolarHBondContact O-CG 3.18Å; V60-E64 PolarHBondContact O-N 3.17Å; Q61-E64 PolarHBondContact O-N 2.95Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 2.91Å; E64-T67 PolarHBondContact O-N 3.44Å; E64-K68 VanDerWaalsContact O-CG 3.3Å; E64-K68 WeakPolarHBondContact O-CG 3.49Å; E64-K68 PolarHBondContact O-N 2.98Å; E64-K68 IonicContact OE2-NZ 2.84Å |
| 65 | Y | 98.6 | Very high | 98.4 | Very high | 140 Ų | 140 | 99.2 Ų | 99.2 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 177.7 | 177.1 | -101.3 | 0 | 0 | 0 | 111.7 | Q61 E62 I63 T67 K68 Q69 | Q61-Y65 WeakPolarHBondContact O-CB 3.33Å; Q61-Y65 PolarHBondContact O-N 3.07Å; E62-Y65 PolarHBondContact O-N 3.45Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 3.14Å; Y65-T67 VanDerWaalsContact C-N 3.29Å; Y65-T67 PolarHBondContact O-N 3.17Å; Y65-K68 PolarHBondContact O-N 2.87Å; Y65-Q69 HydrophobicContact CD1-CG 4.4Å; Y65-Q69 HydrophobicContact CE1-CG 4.01Å; Y65-Q69 WeakPolarHBondContact O-CG 3.38Å; Y65-Q69 PolarHBondContact O-N 3.4Å; Y65-Q69 PolarHBondContact OH-NE2 2.97Å |
| 66 | L | 98.7 | Very high | 98.4 | Very high | 77 Ų | 77 | 100.2 Ų | 100.2 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 176.5 | -69.2 | 174.9 | 0 | 0 | 0 | 111.6 | E62 I63 Q69 L70 | E62-L66 HydrophobicContact CG-CD1 4.06Å; E62-L66 HydrophobicContact CG-CG 4.39Å; E62-L66 WeakPolarHBondContact O-CB 3.37Å; E62-L66 WeakPolarHBondContact O-CG 3.45Å; E62-L66 PolarHBondContact O-N 3.37Å; I63-L66 PolarHBondContact O-N 3.37Å; L66-Q69 WeakPolarHBondContact O-CB 3.41Å; L66-Q69 PolarHBondContact O-N 3.13Å; L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 3.18Å |
| 67 | T | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 101.3 Ų | 101.3 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | I63 E64 Y65 Q69 L70 D71 | I63-T67 WeakPolarHBondContact O-CB 3.41Å; I63-T67 PolarHBondContact O-N 2.97Å; I63-T67 PolarHBondContact O-OG1 3.42Å; E64-T67 PolarHBondContact O-N 3.44Å; Y65-T67 VanDerWaalsContact C-N 3.29Å; Y65-T67 PolarHBondContact O-N 3.17Å; T67-Q69 VanDerWaalsContact C-N 3.29Å; T67-Q69 PolarHBondContact O-N 3.46Å; T67-L70 WeakPolarHBondContact O-CB 3.33Å; T67-L70 PolarHBondContact O-N 3.46Å; T67-D71 PolarHBondContact O-N 2.94Å |
| 68 | K | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 100 Ų | 100 | 55% | 0.548 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58 | -41 | 174.6 | -70.9 | 164.6 | -174.3 | 161 | 0 | 111.9 | E64 Y65 D71 T72 | E64-K68 VanDerWaalsContact O-CG 3.3Å; E64-K68 WeakPolarHBondContact O-CG 3.49Å; E64-K68 PolarHBondContact O-N 2.98Å; E64-K68 IonicContact OE2-NZ 2.84Å; Y65-K68 PolarHBondContact O-N 2.87Å; K68-D71 PolarHBondContact O-N 3.44Å; K68-T72 WeakPolarHBondContact O-CG2 3.42Å; K68-T72 PolarHBondContact O-N 2.86Å; K68-T72 VanDerWaalsContact O-N 3.08Å |
| 69 | Q | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 98.1 Ų | 98.1 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.4 | -72.3 | -170.6 | -32.3 | 0 | 0 | 111.8 | Y65 L66 T67 D71 T72 L73 | Y65-Q69 HydrophobicContact CD1-CG 4.4Å; Y65-Q69 HydrophobicContact CE1-CG 4.01Å; Y65-Q69 WeakPolarHBondContact O-CG 3.38Å; Y65-Q69 PolarHBondContact O-N 3.4Å; Y65-Q69 PolarHBondContact OH-NE2 2.97Å; L66-Q69 WeakPolarHBondContact O-CB 3.41Å; L66-Q69 PolarHBondContact O-N 3.13Å; T67-Q69 VanDerWaalsContact C-N 3.29Å; T67-Q69 PolarHBondContact O-N 3.46Å; Q69-D71 PolarHBondContact O-N 2.96Å; Q69-T72 PolarHBondContact O-N 3.41Å; Q69-T72 PolarHBondContact O-OG1 3.08Å; Q69-L73 WeakPolarHBondContact O-CG 3.49Å; Q69-L73 PolarHBondContact O-N 3.44Å |
| 70 | L | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.4 | -73.6 | 173.1 | 0 | 0 | 0 | 112.2 | L66 T67 T72 L73 R74 | L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 3.18Å; T67-L70 WeakPolarHBondContact O-CB 3.33Å; T67-L70 PolarHBondContact O-N 3.46Å; L70-T72 PolarHBondContact O-N 3.04Å; L70-L73 WeakPolarHBondContact O-CB 3.24Å; L70-L73 PolarHBondContact O-N 3.15Å; L70-L73 VanDerWaalsContact O-N 3.17Å; L70-R74 WeakPolarHBondContact O-CG 3.32Å; L70-R74 PolarHBondContact O-N 3.13Å |
| 71 | D | 98.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.2 | -64.6 | -29.4 | 0 | 0 | 0 | 112.1 | T67 K68 Q69 L73 R74 H75 | T67-D71 PolarHBondContact O-N 2.94Å; K68-D71 PolarHBondContact O-N 3.44Å; Q69-D71 PolarHBondContact O-N 2.96Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.37Å; D71-R74 WeakPolarHBondContact O-CB 3.43Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3.88Å; D71-R74 IonicContact OD1-NH1 3.88Å; D71-R74 PolarHBondContact OD1-NH1 3.3Å; D71-H75 PolarHBondContact O-N 3.31Å |
| 72 | T | 97.9 | Very high | 98.4 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 172.4 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | K68 Q69 L70 H75 V76 | K68-T72 WeakPolarHBondContact O-CG2 3.42Å; K68-T72 PolarHBondContact O-N 2.86Å; K68-T72 VanDerWaalsContact O-N 3.08Å; Q69-T72 PolarHBondContact O-N 3.41Å; Q69-T72 PolarHBondContact O-OG1 3.08Å; L70-T72 PolarHBondContact O-N 3.04Å; T72-H75 PolarHBondContact O-N 3.34Å; T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 3.34Å |
| 73 | L | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 94.5 Ų | 94.5 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 175.3 | -72.4 | 173.6 | 0 | 0 | 0 | 112.1 | Q69 L70 D71 V76 N77 | Q69-L73 WeakPolarHBondContact O-CG 3.49Å; Q69-L73 PolarHBondContact O-N 3.44Å; L70-L73 WeakPolarHBondContact O-CB 3.24Å; L70-L73 PolarHBondContact O-N 3.15Å; L70-L73 VanDerWaalsContact O-N 3.17Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.37Å; L73-V76 PolarHBondContact O-N 3.29Å; L73-N77 WeakPolarHBondContact O-CB 3.34Å; L73-N77 PolarHBondContact O-N 2.82Å |
| 74 | R | 98.6 | Very high | 98.4 | Very high | 143 Ų | 143 | 96.7 Ų | 96.7 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 172.4 | -73.6 | 169.1 | 175.3 | 169.7 | -12.2 | 110.7 | L70 D71 V76 N77 E78 | L70-R74 WeakPolarHBondContact O-CG 3.32Å; L70-R74 PolarHBondContact O-N 3.13Å; D71-R74 WeakPolarHBondContact O-CB 3.43Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 IonicContact OD1-CZ 3.88Å; D71-R74 IonicContact OD1-NH1 3.88Å; D71-R74 PolarHBondContact OD1-NH1 3.3Å; R74-V76 PolarHBondContact O-N 3.33Å; R74-N77 WeakPolarHBondContact O-CB 3.44Å; R74-N77 PolarHBondContact O-N 2.95Å; R74-N77 VanDerWaalsContact O-N 3.13Å; R74-E78 WeakPolarHBondContact O-CG 3.39Å; R74-E78 PolarHBondContact O-N 2.86Å |
| 75 | H | 98.3 | Very high | 98.4 | Very high | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 177.4 | -170.8 | 70.2 | 0 | 0 | 0 | 112.2 | D71 T72 N77 E78 Q79 | D71-H75 PolarHBondContact O-N 3.31Å; T72-H75 PolarHBondContact O-N 3.34Å; H75-N77 VanDerWaalsContact C-N 3.31Å; H75-N77 PolarHBondContact O-N 2.98Å; H75-E78 WeakPolarHBondContact O-CB 3.34Å; H75-E78 PolarHBondContact O-N 3.47Å; H75-Q79 PolarHBondContact CE1-NE2 2.92Å; H75-Q79 PolarHBondContact NE2-NE2 2.97Å; H75-Q79 WeakPolarHBondContact O-CG 3.49Å; H75-Q79 PolarHBondContact O-N 2.92Å |
| 76 | V | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 96.8 Ų | 96.8 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | T72 L73 R74 Q79 H80 | T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 3.34Å; L73-V76 PolarHBondContact O-N 3.29Å; R74-V76 PolarHBondContact O-N 3.33Å; V76-Q79 PolarHBondContact O-N 3.4Å; V76-H80 WeakPolarHBondContact CG1-NE2 3.47Å; V76-H80 PolarHBondContact O-CD2 3.41Å; V76-H80 VanDerWaalsContact O-CG 3.28Å; V76-H80 PolarHBondContact O-N 3.42Å |
| 77 | N | 98.1 | Very high | 98.4 | Very high | 112 Ų | 112 | 98 Ų | 98 | 60% | 0.599 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 177.7 | -169 | 41.9 | 0 | 0 | 0 | 112.3 | L73 R74 H75 H80 A81 | L73-N77 WeakPolarHBondContact O-CB 3.34Å; L73-N77 PolarHBondContact O-N 2.82Å; R74-N77 WeakPolarHBondContact O-CB 3.44Å; R74-N77 PolarHBondContact O-N 2.95Å; R74-N77 VanDerWaalsContact O-N 3.13Å; H75-N77 VanDerWaalsContact C-N 3.31Å; H75-N77 PolarHBondContact O-N 2.98Å; N77-H80 WeakPolarHBondContact O-CB 3.37Å; N77-H80 PolarHBondContact O-N 3.39Å; N77-A81 PolarHBondContact O-N 2.86Å |
| 78 | E | 98.3 | Very high | 98.4 | Very high | 92 Ų | 92 | 98.5 Ų | 98.5 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 172.5 | -71.7 | 167 | -159.8 | 0 | 0 | 112.2 | R74 H75 H80 A81 K82 | R74-E78 WeakPolarHBondContact O-CG 3.39Å; R74-E78 PolarHBondContact O-N 2.86Å; H75-E78 WeakPolarHBondContact O-CB 3.34Å; H75-E78 PolarHBondContact O-N 3.47Å; E78-H80 VanDerWaalsContact C-N 3.34Å; E78-A81 PolarHBondContact O-N 3.19Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-N 2.94Å |
| 79 | Q | 98.3 | Very high | 98.4 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 34% | 0.341 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.3 | -62.7 | -53.8 | -29.2 | 0 | 0 | 111.3 | H75 V76 A81 K82 V83 | H75-Q79 PolarHBondContact CE1-NE2 2.92Å; H75-Q79 PolarHBondContact NE2-NE2 2.97Å; H75-Q79 WeakPolarHBondContact O-CG 3.49Å; H75-Q79 PolarHBondContact O-N 2.92Å; V76-Q79 PolarHBondContact O-N 3.4Å; Q79-A81 VanDerWaalsContact C-N 3.35Å; Q79-A81 PolarHBondContact O-N 3.2Å; Q79-K82 PolarHBondContact O-N 3.39Å; Q79-V83 WeakPolarHBondContact O-CG2 3.37Å; Q79-V83 PolarHBondContact O-N 3.41Å |
| 80 | H | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 44% | 0.44 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.5 | -69.1 | 178.6 | 0 | 0 | 0 | 111.4 | V76 N77 E78 K82 V83 Y84 | V76-H80 WeakPolarHBondContact CG1-NE2 3.47Å; V76-H80 PolarHBondContact O-CD2 3.41Å; V76-H80 VanDerWaalsContact O-CG 3.28Å; V76-H80 PolarHBondContact O-N 3.42Å; N77-H80 WeakPolarHBondContact O-CB 3.37Å; N77-H80 PolarHBondContact O-N 3.39Å; E78-H80 VanDerWaalsContact C-N 3.34Å; H80-K82 PolarHBondContact O-N 2.85Å; H80-V83 PolarHBondContact O-N 2.95Å; H80-Y84 HydrophobicContact CB-CD2 4.48Å; H80-Y84 HydrophobicContact CB-CE2 4.13Å; H80-Y84 WeakPolarHBondContact O-CD2 3.41Å; H80-Y84 PolarHBondContact O-N 3.45Å |
| 81 | A | 98.3 | Very high | 98.3 | Very high | 43 Ų | 43 | 92.4 Ų | 92.4 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N77 E78 Q79 V83 Y84 E85 | N77-A81 PolarHBondContact O-N 2.86Å; E78-A81 PolarHBondContact O-N 3.19Å; Q79-A81 VanDerWaalsContact C-N 3.35Å; Q79-A81 PolarHBondContact O-N 3.2Å; A81-V83 VanDerWaalsContact C-N 3.34Å; A81-V83 PolarHBondContact O-N 3.17Å; A81-Y84 PolarHBondContact O-N 2.84Å; A81-E85 WeakPolarHBondContact O-CG 3.4Å; A81-E85 PolarHBondContact O-N 2.94Å |
| 82 | K | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 48% | 0.478 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.4 | -70 | 170.4 | -176 | 170.4 | 0 | 112.9 | E78 Q79 H80 E85 Q86 | E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-N 2.94Å; Q79-K82 PolarHBondContact O-N 3.39Å; H80-K82 PolarHBondContact O-N 2.85Å; K82-E85 PolarHBondContact O-N 3.41Å; K82-Q86 WeakPolarHBondContact O-CB 3.31Å; K82-Q86 PolarHBondContact O-N 3.1Å |
| 83 | V | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.1 | -39.4 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | Q79 H80 A81 Q86 L87 | Q79-V83 WeakPolarHBondContact O-CG2 3.37Å; Q79-V83 PolarHBondContact O-N 3.41Å; H80-V83 PolarHBondContact O-N 2.95Å; A81-V83 VanDerWaalsContact C-N 3.34Å; A81-V83 PolarHBondContact O-N 3.17Å; V83-Q86 PolarHBondContact O-N 3.05Å; V83-L87 WeakPolarHBondContact O-CB 3.46Å; V83-L87 PolarHBondContact O-N 2.9Å |
| 84 | Y | 98.6 | Very high | 98.3 | Very high | 151 Ų | 151 | 96.1 Ų | 96.1 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 175 | -69.6 | -50.6 | 0 | 0 | 0 | 111.9 | H80 A81 Q86 L87 D88 | H80-Y84 HydrophobicContact CB-CD2 4.48Å; H80-Y84 HydrophobicContact CB-CE2 4.13Å; H80-Y84 WeakPolarHBondContact O-CD2 3.41Å; H80-Y84 PolarHBondContact O-N 3.45Å; A81-Y84 PolarHBondContact O-N 2.84Å; Y84-Q86 VanDerWaalsContact C-N 3.33Å; Y84-Q86 PolarHBondContact O-N 3.45Å; Y84-L87 PolarHBondContact O-N 3.22Å; Y84-D88 PolarHBondContact O-N 3.38Å |
| 85 | E | 97.9 | Very high | 98.3 | Very high | 123 Ų | 123 | 95 Ų | 95 | 58% | 0.575 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.3 | -45.9 | 174.4 | -72.5 | 170.5 | -175.6 | 0 | 0 | 111.4 | A81 K82 L87 D88 L89 | A81-E85 WeakPolarHBondContact O-CG 3.4Å; A81-E85 PolarHBondContact O-N 2.94Å; K82-E85 PolarHBondContact O-N 3.41Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 2.92Å; E85-D88 PolarHBondContact O-N 3.06Å; E85-L89 WeakPolarHBondContact O-CG 3.4Å; E85-L89 PolarHBondContact O-N 2.7Å |
| 86 | Q | 98.5 | Very high | 98.3 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.7 | -173.5 | 63.2 | 25 | 0 | 0 | 111.9 | K82 V83 Y84 D88 L89 T90 | K82-Q86 WeakPolarHBondContact O-CB 3.31Å; K82-Q86 PolarHBondContact O-N 3.1Å; V83-Q86 PolarHBondContact O-N 3.05Å; Y84-Q86 VanDerWaalsContact C-N 3.33Å; Y84-Q86 PolarHBondContact O-N 3.45Å; Q86-D88 VanDerWaalsContact C-N 3.34Å; Q86-L89 PolarHBondContact O-N 3.38Å; Q86-T90 VanDerWaalsContact O-CG2 3.31Å; Q86-T90 WeakPolarHBondContact O-CG2 3.31Å; Q86-T90 PolarHBondContact O-N 3Å; Q86-T90 PolarHBondContact O-OG1 3.14Å |
| 87 | L | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177 | -173.9 | 122.8 | 0 | 0 | 0 | 110.9 | V83 Y84 E85 L89 T90 A91 | V83-L87 WeakPolarHBondContact O-CB 3.46Å; V83-L87 PolarHBondContact O-N 2.9Å; Y84-L87 PolarHBondContact O-N 3.22Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 2.92Å; L87-L89 PolarHBondContact O-N 3.41Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 3.25Å; L87-T90 PolarHBondContact O-OG1 3.32Å; L87-A91 WeakPolarHBondContact O-CB 3.17Å; L87-A91 PolarHBondContact O-N 2.96Å |
| 88 | D | 98.3 | Very high | 98.3 | Very high | 75 Ų | 75 | 95.4 Ų | 95.4 | 40% | 0.401 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.8 | -77.4 | -12 | 0 | 0 | 0 | 112.2 | Y84 E85 Q86 A91 R92 | Y84-D88 PolarHBondContact O-N 3.38Å; E85-D88 PolarHBondContact O-N 3.06Å; Q86-D88 VanDerWaalsContact C-N 3.34Å; D88-A91 PolarHBondContact O-N 2.88Å; D88-R92 VanDerWaalsContact O-CG 3.31Å; D88-R92 WeakPolarHBondContact O-CG 3.37Å; D88-R92 PolarHBondContact O-N 2.96Å |
| 89 | L | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 97.1 Ų | 97.1 | 40% | 0.398 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 173.6 | -69.4 | 173 | 0 | 0 | 0 | 111.1 | E85 Q86 L87 A91 R92 D93 | E85-L89 WeakPolarHBondContact O-CG 3.4Å; E85-L89 PolarHBondContact O-N 2.7Å; Q86-L89 PolarHBondContact O-N 3.38Å; L87-L89 PolarHBondContact O-N 3.41Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 2.96Å; L89-R92 PolarHBondContact O-N 3.42Å; L89-D93 PolarHBondContact O-N 2.81Å |
| 90 | T | 97.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | Q86 L87 D93 L94 | Q86-T90 VanDerWaalsContact O-CG2 3.31Å; Q86-T90 WeakPolarHBondContact O-CG2 3.31Å; Q86-T90 PolarHBondContact O-N 3Å; Q86-T90 PolarHBondContact O-OG1 3.14Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 3.25Å; L87-T90 PolarHBondContact O-OG1 3.32Å; T90-D93 PolarHBondContact O-N 3.2Å; T90-L94 WeakPolarHBondContact O-CB 3.35Å; T90-L94 VanDerWaalsContact O-CG 3.23Å; T90-L94 WeakPolarHBondContact O-CG 3.34Å; T90-L94 PolarHBondContact O-N 2.93Å |
| 91 | A | 97.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 102.1 Ų | 102.1 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L87 D88 L89 L94 E95 | L87-A91 WeakPolarHBondContact O-CB 3.17Å; L87-A91 PolarHBondContact O-N 2.96Å; D88-A91 PolarHBondContact O-N 2.88Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 2.96Å; A91-L94 PolarHBondContact O-N 3.1Å; A91-E95 WeakPolarHBondContact O-CG 3.37Å; A91-E95 PolarHBondContact O-N 3.18Å |
| 92 | R | 98.1 | Very high | 98.3 | Very high | 134 Ų | 134 | 103 Ų | 103 | 51% | 0.506 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.8 | -69 | 173.6 | -166.7 | 128.3 | 7.6 | 112 | D88 L89 L94 E95 L96 | D88-R92 VanDerWaalsContact O-CG 3.31Å; D88-R92 WeakPolarHBondContact O-CG 3.37Å; D88-R92 PolarHBondContact O-N 2.96Å; L89-R92 PolarHBondContact O-N 3.42Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.04Å; R92-E95 WeakPolarHBondContact O-CB 3.26Å; R92-E95 PolarHBondContact O-N 3.36Å; R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 2.65Å |
| 93 | D | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.4 | -72.8 | -19.6 | 0 | 0 | 0 | 112 | L89 T90 L96 T97 | L89-D93 PolarHBondContact O-N 2.81Å; T90-D93 PolarHBondContact O-N 3.2Å; D93-L96 PolarHBondContact O-N 3.44Å; D93-T97 WeakPolarHBondContact O-CB 3.41Å; D93-T97 VanDerWaalsContact O-CG2 3.28Å; D93-T97 WeakPolarHBondContact O-CG2 3.38Å; D93-T97 PolarHBondContact O-N 3.1Å; D93-T97 PolarHBondContact O-OG1 3.33Å |
| 94 | L | 98.1 | Very high | 98.3 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 174.9 | -72.1 | 174.6 | 0 | 0 | 0 | 111.9 | T90 A91 R92 T97 N98 | T90-L94 WeakPolarHBondContact O-CB 3.35Å; T90-L94 VanDerWaalsContact O-CG 3.23Å; T90-L94 WeakPolarHBondContact O-CG 3.34Å; T90-L94 PolarHBondContact O-N 2.93Å; A91-L94 PolarHBondContact O-N 3.1Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.04Å; L94-T97 WeakPolarHBondContact CA-OG1 3.5Å; L94-T97 PolarHBondContact O-OG1 2.79Å; L94-N98 WeakPolarHBondContact O-CB 3.24Å; L94-N98 PolarHBondContact O-N 3.3Å |
| 95 | E | 98.2 | Very high | 98.3 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 174 | -74.9 | 175.2 | -179.4 | 0 | 0 | 111.4 | A91 R92 N98 H99 | A91-E95 WeakPolarHBondContact O-CG 3.37Å; A91-E95 PolarHBondContact O-N 3.18Å; R92-E95 WeakPolarHBondContact O-CB 3.26Å; R92-E95 PolarHBondContact O-N 3.36Å; E95-N98 PolarHBondContact O-N 2.86Å; E95-H99 PolarHBondContact O-N 3.42Å; E95-H99 PolarHBondContact O-ND1 2.92Å |
| 96 | L | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 98.4 Ų | 98.4 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -46.7 | 178.5 | -71.7 | 174.1 | 0 | 0 | 0 | 112 | R92 D93 N98 H99 R100 | R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 2.65Å; D93-L96 PolarHBondContact O-N 3.44Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.37Å; L96-H99 PolarHBondContact O-N 3.12Å; L96-R100 WeakPolarHBondContact O-CB 3.26Å; L96-R100 PolarHBondContact O-N 2.89Å |
| 97 | T | 98.2 | Very high | 98.3 | Very high | 74 Ų | 74 | 95.5 Ų | 95.5 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | D93 L94 R100 L101 | D93-T97 WeakPolarHBondContact O-CB 3.41Å; D93-T97 VanDerWaalsContact O-CG2 3.28Å; D93-T97 WeakPolarHBondContact O-CG2 3.38Å; D93-T97 PolarHBondContact O-N 3.1Å; D93-T97 PolarHBondContact O-OG1 3.33Å; L94-T97 WeakPolarHBondContact CA-OG1 3.5Å; L94-T97 PolarHBondContact O-OG1 2.79Å; T97-R100 PolarHBondContact O-N 2.92Å; T97-L101 WeakPolarHBondContact O-CB 3.45Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.35Å; T97-L101 PolarHBondContact O-N 3.27Å |
| 98 | N | 98.2 | Very high | 98.3 | Very high | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 174.3 | -168.8 | -33.5 | 0 | 0 | 0 | 111.4 | L94 E95 L96 R100 L101 V102 | L94-N98 WeakPolarHBondContact O-CB 3.24Å; L94-N98 PolarHBondContact O-N 3.3Å; E95-N98 PolarHBondContact O-N 2.86Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.37Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 3.33Å; N98-L101 PolarHBondContact O-N 3.34Å; N98-V102 WeakPolarHBondContact O-CG2 3.37Å; N98-V102 PolarHBondContact O-N 3.5Å |
| 99 | H | 98.4 | Very high | 98.3 | Very high | 128 Ų | 128 | 94.1 Ų | 94.1 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.6 | -44.6 | 175.5 | -80 | 71 | 0 | 0 | 0 | 111.5 | E95 L96 V102 L103 | E95-H99 PolarHBondContact O-N 3.42Å; E95-H99 PolarHBondContact O-ND1 2.92Å; L96-H99 PolarHBondContact O-N 3.12Å; H99-V102 PolarHBondContact O-N 3.41Å; H99-L103 WeakPolarHBondContact O-CG 3.37Å; H99-L103 PolarHBondContact O-N 3.37Å |
| 100 | R | 98.6 | Very high | 98.3 | Very high | 167 Ų | 167 | 97.3 Ų | 97.3 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -49.3 | 175.6 | -179.7 | 179 | 173.7 | 170.3 | 1.6 | 112 | L96 T97 N98 V102 L103 E104 | L96-R100 WeakPolarHBondContact O-CB 3.26Å; L96-R100 PolarHBondContact O-N 2.89Å; T97-R100 PolarHBondContact O-N 2.92Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 3.33Å; R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 2.61Å; R100-L103 PolarHBondContact O-N 3.02Å; R100-L103 VanDerWaalsContact O-N 3.12Å; R100-E104 HydrophobicContact CG-CG 4.5Å; R100-E104 WeakPolarHBondContact CG-OE1 3.47Å; R100-E104 IonicContact CZ-OE1 3.63Å; R100-E104 IonicContact NE-OE1 3.19Å; R100-E104 PolarHBondContact NE-OE1 3.27Å; R100-E104 IonicContact NH2-OE1 3.99Å; R100-E104 WeakPolarHBondContact O-CG 3.38Å; R100-E104 PolarHBondContact O-N 3.32Å |
| 101 | L | 98.6 | Very high | 98.3 | Very high | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -36.6 | 178.1 | -72.7 | 173.1 | 0 | 0 | 0 | 112.2 | T97 N98 E104 S105 | T97-L101 WeakPolarHBondContact O-CB 3.45Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.35Å; T97-L101 PolarHBondContact O-N 3.27Å; N98-L101 PolarHBondContact O-N 3.34Å; L101-E104 PolarHBondContact O-N 3.45Å; L101-S105 WeakPolarHBondContact O-CB 3.38Å; L101-S105 PolarHBondContact O-N 3.38Å |
| 102 | V | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 104.9 Ų | 104.9 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | N98 H99 R100 S105 K106 | N98-V102 WeakPolarHBondContact O-CG2 3.37Å; N98-V102 PolarHBondContact O-N 3.5Å; H99-V102 PolarHBondContact O-N 3.41Å; R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 2.61Å; V102-S105 PolarHBondContact O-N 2.87Å; V102-K106 HydrophobicContact CG1-CD 4.31Å; V102-K106 VanDerWaalsContact O-CG 3.31Å; V102-K106 WeakPolarHBondContact O-CG 3.3Å; V102-K106 PolarHBondContact O-N 3.16Å |
| 103 | L | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 104.1 Ų | 104.1 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.1 | -44.7 | 176.4 | -67.9 | 175.1 | 0 | 0 | 0 | 111.7 | H99 R100 S105 K106 A107 | H99-L103 WeakPolarHBondContact O-CG 3.37Å; H99-L103 PolarHBondContact O-N 3.37Å; R100-L103 PolarHBondContact O-N 3.02Å; R100-L103 VanDerWaalsContact O-N 3.12Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.97Å; L103-K106 PolarHBondContact O-N 3.28Å; L103-A107 PolarHBondContact O-N 3Å |
| 104 | E | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 101 Ų | 101 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176 | -70.9 | 175.8 | -173.9 | 0 | 0 | 111.5 | R100 L101 A107 A108 | R100-E104 HydrophobicContact CG-CG 4.5Å; R100-E104 WeakPolarHBondContact CG-OE1 3.47Å; R100-E104 IonicContact CZ-OE1 3.63Å; R100-E104 IonicContact NE-OE1 3.19Å; R100-E104 PolarHBondContact NE-OE1 3.27Å; R100-E104 IonicContact NH2-OE1 3.99Å; R100-E104 WeakPolarHBondContact O-CG 3.38Å; R100-E104 PolarHBondContact O-N 3.32Å; L101-E104 PolarHBondContact O-N 3.45Å; E104-A107 PolarHBondContact O-N 3.3Å; E104-A108 WeakPolarHBondContact O-CB 3.44Å; E104-A108 PolarHBondContact O-N 2.92Å |
| 105 | S | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 100 Ų | 100 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | L101 V102 L103 A107 A108 Q109 | L101-S105 WeakPolarHBondContact O-CB 3.38Å; L101-S105 PolarHBondContact O-N 3.38Å; V102-S105 PolarHBondContact O-N 2.87Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.97Å; S105-A107 PolarHBondContact O-N 2.93Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-Q109 WeakPolarHBondContact O-CB 3.29Å; S105-Q109 VanDerWaalsContact O-CG 3.29Å; S105-Q109 WeakPolarHBondContact O-CG 3.42Å; S105-Q109 PolarHBondContact O-N 3.49Å |
| 106 | K | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 97.2 Ų | 97.2 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 174.8 | -75.5 | 173.8 | -179.1 | 177.6 | 0 | 112.1 | V102 L103 Q109 Q110 | V102-K106 HydrophobicContact CG1-CD 4.31Å; V102-K106 VanDerWaalsContact O-CG 3.31Å; V102-K106 WeakPolarHBondContact O-CG 3.3Å; V102-K106 PolarHBondContact O-N 3.16Å; L103-K106 PolarHBondContact O-N 3.28Å; K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 3.27Å; K106-Q110 WeakPolarHBondContact O-CG 3.37Å; K106-Q110 PolarHBondContact O-N 2.83Å |
| 107 | A | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 95.7 Ų | 95.7 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L103 E104 S105 Q110 K111 | L103-A107 PolarHBondContact O-N 3Å; E104-A107 PolarHBondContact O-N 3.3Å; S105-A107 PolarHBondContact O-N 2.93Å; A107-Q110 PolarHBondContact O-N 3.48Å; A107-K111 PolarHBondContact O-N 3.33Å |
| 108 | A | 97.8 | Very high | 98.3 | Very high | 50 Ų | 50 | 95.2 Ų | 95.2 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E104 S105 K111 I112 | E104-A108 WeakPolarHBondContact O-CB 3.44Å; E104-A108 PolarHBondContact O-N 2.92Å; S105-A108 PolarHBondContact O-N 2.87Å; A108-K111 WeakPolarHBondContact O-CB 3.35Å; A108-K111 PolarHBondContact O-N 3.34Å; A108-I112 WeakPolarHBondContact O-CG1 3.4Å; A108-I112 PolarHBondContact O-N 3.11Å |
| 109 | Q | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 94.7 Ų | 94.7 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 173.7 | -77 | 174.4 | -10.9 | 0 | 0 | 111.1 | S105 K106 K111 I112 H113 | S105-Q109 WeakPolarHBondContact O-CB 3.29Å; S105-Q109 VanDerWaalsContact O-CG 3.29Å; S105-Q109 WeakPolarHBondContact O-CG 3.42Å; S105-Q109 PolarHBondContact O-N 3.49Å; K106-Q109 WeakPolarHBondContact O-CB 3.45Å; K106-Q109 PolarHBondContact O-N 3.27Å; Q109-K111 VanDerWaalsContact C-N 3.27Å; Q109-K111 PolarHBondContact O-N 2.88Å; Q109-I112 PolarHBondContact O-N 2.99Å; Q109-I112 VanDerWaalsContact O-N 3.11Å; Q109-H113 PolarHBondContact O-N 2.93Å; Q109-H113 PolarHBondContact O-ND1 2.72Å |
| 110 | Q | 98.3 | Very high | 98.3 | Very high | 143 Ų | 143 | 93.8 Ų | 93.8 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.4 | -41.1 | 177.4 | -72.5 | 170.2 | -3.3 | 0 | 0 | 112 | K106 A107 H113 G114 | K106-Q110 WeakPolarHBondContact O-CG 3.37Å; K106-Q110 PolarHBondContact O-N 2.83Å; A107-Q110 PolarHBondContact O-N 3.48Å; Q110-H113 PolarHBondContact O-N 3.35Å; Q110-G114 PolarHBondContact O-N 2.95Å |
| 111 | K | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 92.4 Ų | 92.4 | 67% | 0.67 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 175.4 | -171.9 | 175.8 | -177.6 | 178.5 | 0 | 112.3 | A107 A108 Q109 G114 L115 | A107-K111 PolarHBondContact O-N 3.33Å; A108-K111 WeakPolarHBondContact O-CB 3.35Å; A108-K111 PolarHBondContact O-N 3.34Å; Q109-K111 VanDerWaalsContact C-N 3.27Å; Q109-K111 PolarHBondContact O-N 2.88Å; K111-G114 PolarHBondContact O-N 3.36Å; K111-L115 HydrophobicContact CG-CD1 4.47Å; K111-L115 WeakPolarHBondContact O-CG 2.97Å; K111-L115 PolarHBondContact O-N 2.9Å |
| 112 | I | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 92.1 Ų | 92.1 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.1 | -69.3 | 165.2 | 0 | 0 | 0 | 109.9 | A108 Q109 G114 L115 T116 | A108-I112 WeakPolarHBondContact O-CG1 3.4Å; A108-I112 PolarHBondContact O-N 3.11Å; Q109-I112 PolarHBondContact O-N 2.99Å; Q109-I112 VanDerWaalsContact O-N 3.11Å; I112-G114 PolarHBondContact O-N 3.39Å; I112-L115 PolarHBondContact O-N 3.32Å; I112-T116 PolarHBondContact O-N 2.92Å; I112-T116 PolarHBondContact O-OG1 2.95Å |
| 113 | H | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 94.3 Ų | 94.3 | 55% | 0.546 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 178.3 | -72.4 | 78.3 | 0 | 0 | 0 | 111.3 | Q109 Q110 L115 T116 E117 | Q109-H113 PolarHBondContact O-N 2.93Å; Q109-H113 PolarHBondContact O-ND1 2.72Å; Q110-H113 PolarHBondContact O-N 3.35Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 2.97Å; H113-T116 PolarHBondContact O-N 2.88Å; H113-E117 WeakPolarHBondContact O-CG 3.4Å; H113-E117 PolarHBondContact O-N 3.48Å |
| 114 | G | 98.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 91.4 Ų | 91.4 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q110 K111 I112 T118 | Q110-G114 PolarHBondContact O-N 2.95Å; K111-G114 PolarHBondContact O-N 3.36Å; I112-G114 PolarHBondContact O-N 3.39Å; G114-T118 WeakPolarHBondContact O-CG2 3.4Å; G114-T118 PolarHBondContact O-N 2.97Å; G114-T118 VanDerWaalsContact O-N 3.12Å |
| 115 | L | 98.1 | Very high | 98.2 | Very high | 97 Ų | 97 | 92.4 Ų | 92.4 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 175.4 | -69.1 | 175.4 | 0 | 0 | 0 | 112.1 | K111 I112 H113 E117 T118 I119 | K111-L115 HydrophobicContact CG-CD1 4.47Å; K111-L115 WeakPolarHBondContact O-CG 2.97Å; K111-L115 PolarHBondContact O-N 2.9Å; I112-L115 PolarHBondContact O-N 3.32Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 2.97Å; L115-E117 VanDerWaalsContact C-N 3.33Å; L115-E117 PolarHBondContact O-N 3.33Å; L115-T118 WeakPolarHBondContact CA-OG1 3.33Å; L115-T118 PolarHBondContact O-N 2.84Å; L115-T118 VanDerWaalsContact O-N 3.1Å; L115-T118 PolarHBondContact O-OG1 2.94Å; L115-I119 WeakPolarHBondContact O-CG1 3.41Å; L115-I119 PolarHBondContact O-N 3.19Å |
| 116 | T | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 93.3 Ų | 93.3 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | I112 H113 T118 I119 E120 | I112-T116 PolarHBondContact O-N 2.92Å; I112-T116 PolarHBondContact O-OG1 2.95Å; H113-T116 PolarHBondContact O-N 2.88Å; T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 3.33Å; T116-I119 WeakPolarHBondContact O-CB 3.5Å; T116-I119 PolarHBondContact O-N 2.91Å; T116-I119 VanDerWaalsContact O-N 3.1Å; T116-E120 WeakPolarHBondContact O-CG 3.41Å; T116-E120 PolarHBondContact O-N 3.18Å |
| 117 | E | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 176.1 | -65.9 | 177.6 | -165.4 | 0 | 0 | 112.4 | H113 L115 R121 | H113-E117 WeakPolarHBondContact O-CG 3.4Å; H113-E117 PolarHBondContact O-N 3.48Å; L115-E117 VanDerWaalsContact C-N 3.33Å; L115-E117 PolarHBondContact O-N 3.33Å; E117-R121 VanDerWaalsContact CB-NH1 3.26Å; E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.34Å; E117-R121 PolarHBondContact O-N 3.12Å; E117-R121 VanDerWaalsContact O-N 3.08Å; E117-R121 PolarHBondContact O-NH1 3.33Å; E117-R121 VanDerWaalsContact O-NH1 3.13Å; E117-R121 IonicContact OE2-CZ 2.91Å; E117-R121 IonicContact OE2-NH1 3.79Å; E117-R121 IonicContact OE2-NH2 3.77Å; E117-R121 PolarHBondContact OE2-NH2 2.82Å |
| 118 | T | 98.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 39% | 0.387 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 174.1 | 60.6 | 0 | 0 | 0 | 0 | 112 | G114 L115 T116 R121 L122 | G114-T118 WeakPolarHBondContact O-CG2 3.4Å; G114-T118 PolarHBondContact O-N 2.97Å; G114-T118 VanDerWaalsContact O-N 3.12Å; L115-T118 WeakPolarHBondContact CA-OG1 3.33Å; L115-T118 PolarHBondContact O-N 2.84Å; L115-T118 VanDerWaalsContact O-N 3.1Å; L115-T118 PolarHBondContact O-OG1 2.94Å; T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 3.33Å; T118-R121 PolarHBondContact O-N 3.36Å; T118-L122 VanDerWaalsContact O-CG 3.31Å; T118-L122 WeakPolarHBondContact O-CG 3.37Å; T118-L122 PolarHBondContact O-N 3.49Å |
| 119 | I | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 100 Ų | 100 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 176.1 | -69 | 166.5 | 0 | 0 | 0 | 110.1 | L115 T116 R121 L122 Q123 | L115-I119 WeakPolarHBondContact O-CG1 3.41Å; L115-I119 PolarHBondContact O-N 3.19Å; T116-I119 WeakPolarHBondContact O-CB 3.5Å; T116-I119 PolarHBondContact O-N 2.91Å; T116-I119 VanDerWaalsContact O-N 3.1Å; I119-R121 PolarHBondContact O-N 2.9Å; I119-L122 PolarHBondContact O-N 3.48Å; I119-Q123 HydrophobicContact CG2-CG 4.21Å; I119-Q123 WeakPolarHBondContact O-CB 3.31Å; I119-Q123 VanDerWaalsContact O-CG 3.3Å; I119-Q123 WeakPolarHBondContact O-CG 3.41Å; I119-Q123 PolarHBondContact O-N 3.02Å |
| 120 | E | 98.2 | Very high | 98.1 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.6 | -72 | 173.2 | -179.5 | 0 | 0 | 111.9 | T116 L122 Q123 A124 | T116-E120 WeakPolarHBondContact O-CG 3.41Å; T116-E120 PolarHBondContact O-N 3.18Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.76Å; E120-Q123 PolarHBondContact O-N 3.33Å; E120-A124 PolarHBondContact O-N 2.87Å |
| 121 | R | 98.3 | Very high | 98 | Very high | 138 Ų | 138 | 95.7 Ų | 95.7 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.6 | -71.7 | 178.9 | -162.5 | 98.1 | -0.3 | 112 | E117 T118 I119 Q125 | E117-R121 VanDerWaalsContact CB-NH1 3.26Å; E117-R121 VanDerWaalsContact O-CG 3.29Å; E117-R121 WeakPolarHBondContact O-CG 3.34Å; E117-R121 PolarHBondContact O-N 3.12Å; E117-R121 VanDerWaalsContact O-N 3.08Å; E117-R121 PolarHBondContact O-NH1 3.33Å; E117-R121 VanDerWaalsContact O-NH1 3.13Å; E117-R121 IonicContact OE2-CZ 2.91Å; E117-R121 IonicContact OE2-NH1 3.79Å; E117-R121 IonicContact OE2-NH2 3.77Å; E117-R121 PolarHBondContact OE2-NH2 2.82Å; T118-R121 PolarHBondContact O-N 3.36Å; I119-R121 PolarHBondContact O-N 2.9Å; R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.36Å; R121-Q125 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 97.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 92.7 Ų | 92.7 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 176.5 | -71.2 | 172.4 | 0 | 0 | 0 | 111.9 | T118 I119 E120 Q125 V126 | T118-L122 VanDerWaalsContact O-CG 3.31Å; T118-L122 WeakPolarHBondContact O-CG 3.37Å; T118-L122 PolarHBondContact O-N 3.49Å; I119-L122 PolarHBondContact O-N 3.48Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.76Å; L122-Q125 PolarHBondContact O-N 2.89Å; L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.42Å |
| 123 | Q | 97.9 | Very high | 97.8 | Very high | 106 Ų | 106 | 91.1 Ų | 91.1 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 175 | -76.4 | 171.9 | -19.5 | 0 | 0 | 111.1 | I119 E120 Q125 V126 E127 | I119-Q123 HydrophobicContact CG2-CG 4.21Å; I119-Q123 WeakPolarHBondContact O-CB 3.31Å; I119-Q123 VanDerWaalsContact O-CG 3.3Å; I119-Q123 WeakPolarHBondContact O-CG 3.41Å; I119-Q123 PolarHBondContact O-N 3.02Å; E120-Q123 PolarHBondContact O-N 3.33Å; Q123-Q125 VanDerWaalsContact C-N 3.31Å; Q123-Q125 PolarHBondContact O-N 2.88Å; Q123-V126 PolarHBondContact O-N 3.32Å; Q123-V126 VanDerWaalsContact O-N 3.13Å; Q123-E127 WeakPolarHBondContact O-CG 3.49Å; Q123-E127 PolarHBondContact O-N 3.03Å |
| 124 | A | 97.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E120 E127 E128 | E120-A124 PolarHBondContact O-N 2.87Å; A124-E127 PolarHBondContact O-N 3.49Å; A124-E128 WeakPolarHBondContact O-CB 3.34Å; A124-E128 PolarHBondContact O-N 3.18Å |
| 125 | Q | 97.9 | Very high | 97.6 | Very high | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 174.6 | -72.1 | 176.2 | 1.9 | 0 | 0 | 112.4 | R121 L122 Q123 E128 L129 | R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.36Å; R121-Q125 VanDerWaalsContact O-N 3.15Å; L122-Q125 PolarHBondContact O-N 2.89Å; Q123-Q125 VanDerWaalsContact C-N 3.31Å; Q123-Q125 PolarHBondContact O-N 2.88Å; Q125-E128 PolarHBondContact O-N 2.93Å; Q125-L129 WeakPolarHBondContact O-CB 3.43Å; Q125-L129 VanDerWaalsContact O-CG 3.31Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.18Å |
| 126 | V | 97.9 | Very high | 97.5 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L122 Q123 E128 L129 Q130 | L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.42Å; Q123-V126 PolarHBondContact O-N 3.32Å; Q123-V126 VanDerWaalsContact O-N 3.13Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 2.95Å; V126-L129 PolarHBondContact O-N 2.92Å; V126-Q130 WeakPolarHBondContact O-CB 3.48Å; V126-Q130 PolarHBondContact O-N 2.86Å |
| 127 | E | 98.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 100.6 Ų | 100.6 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 176.2 | -72.2 | 172.9 | -173.7 | 0 | 0 | 111.9 | Q123 A124 Q130 A131 | Q123-E127 WeakPolarHBondContact O-CG 3.49Å; Q123-E127 PolarHBondContact O-N 3.03Å; A124-E127 PolarHBondContact O-N 3.49Å; E127-Q130 PolarHBondContact O-N 3.43Å; E127-A131 WeakPolarHBondContact O-CB 3.18Å; E127-A131 PolarHBondContact O-N 3.44Å |
| 128 | E | 97.8 | Very high | 97.1 | Very high | 121 Ų | 121 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -47.2 | 175.7 | -176.7 | 171.1 | -160.5 | 0 | 0 | 111.9 | A124 Q125 V126 Q130 A131 Q132 | A124-E128 WeakPolarHBondContact O-CB 3.34Å; A124-E128 PolarHBondContact O-N 3.18Å; Q125-E128 PolarHBondContact O-N 2.93Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 2.95Å; E128-Q130 VanDerWaalsContact C-N 3.28Å; E128-Q130 PolarHBondContact O-N 2.96Å; E128-A131 PolarHBondContact O-N 2.89Å; E128-Q132 WeakPolarHBondContact O-CG 3.42Å; E128-Q132 PolarHBondContact O-N 3.48Å |
| 129 | L | 97.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.1 | -73 | 172.6 | 0 | 0 | 0 | 111.6 | Q125 V126 Q132 V133 | Q125-L129 WeakPolarHBondContact O-CB 3.43Å; Q125-L129 VanDerWaalsContact O-CG 3.31Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.18Å; V126-L129 PolarHBondContact O-N 2.92Å; L129-Q132 PolarHBondContact O-N 3.07Å; L129-V133 WeakPolarHBondContact O-CG2 3.34Å; L129-V133 PolarHBondContact O-N 3.26Å |
| 130 | Q | 97.2 | Very high | 96.4 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 179 | -163.3 | 154.6 | -10.7 | 0 | 0 | 111.1 | V126 E127 E128 V133 E134 | V126-Q130 WeakPolarHBondContact O-CB 3.48Å; V126-Q130 PolarHBondContact O-N 2.86Å; E127-Q130 PolarHBondContact O-N 3.43Å; E128-Q130 VanDerWaalsContact C-N 3.28Å; E128-Q130 PolarHBondContact O-N 2.96Å; Q130-V133 PolarHBondContact O-N 2.96Å; Q130-E134 WeakPolarHBondContact O-CG 3.48Å; Q130-E134 PolarHBondContact O-N 3.01Å |
| 131 | A | 96.9 | Very high | 96 | Very high | 43 Ų | 43 | 102.1 Ų | 102.1 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E127 E128 E134 Q135 | E127-A131 WeakPolarHBondContact O-CB 3.18Å; E127-A131 PolarHBondContact O-N 3.44Å; E128-A131 PolarHBondContact O-N 2.89Å; A131-E134 PolarHBondContact O-N 2.92Å; A131-Q135 VanDerWaalsContact O-CG 3.27Å; A131-Q135 WeakPolarHBondContact O-CG 3.34Å; A131-Q135 PolarHBondContact O-N 3.2Å |
| 132 | Q | 97.1 | Very high | 95.5 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 175.3 | -69.7 | 175.5 | 20.5 | 0 | 0 | 111.9 | E128 L129 Q135 L136 | E128-Q132 WeakPolarHBondContact O-CG 3.42Å; E128-Q132 PolarHBondContact O-N 3.48Å; L129-Q132 PolarHBondContact O-N 3.07Å; Q132-Q135 PolarHBondContact O-N 3.34Å; Q132-L136 WeakPolarHBondContact O-CG 3.29Å; Q132-L136 PolarHBondContact O-N 2.93Å |
| 133 | V | 96.7 | Very high | 95 | Very high | 67 Ų | 67 | 100.9 Ų | 100.9 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L129 Q130 L136 R137 | L129-V133 WeakPolarHBondContact O-CG2 3.34Å; L129-V133 PolarHBondContact O-N 3.26Å; Q130-V133 PolarHBondContact O-N 2.96Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-R137 WeakPolarHBondContact O-CB 3.42Å; V133-R137 WeakPolarHBondContact O-CG 3.37Å; V133-R137 PolarHBondContact O-N 3.35Å |
| 134 | E | 96.3 | Very high | 94.4 | Very high | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176.3 | -73.9 | 176 | -174.5 | 0 | 0 | 112.2 | Q130 A131 R137 G138 | Q130-E134 WeakPolarHBondContact O-CG 3.48Å; Q130-E134 PolarHBondContact O-N 3.01Å; A131-E134 PolarHBondContact O-N 2.92Å; E134-R137 PolarHBondContact O-N 3.23Å; E134-G138 PolarHBondContact O-N 3.5Å |
| 135 | Q | 96.1 | Very high | 93.8 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 173 | -73.9 | 175 | 6.7 | 0 | 0 | 111.7 | A131 Q132 G138 L139 | A131-Q135 VanDerWaalsContact O-CG 3.27Å; A131-Q135 WeakPolarHBondContact O-CG 3.34Å; A131-Q135 PolarHBondContact O-N 3.2Å; Q132-Q135 PolarHBondContact O-N 3.34Å; Q135-G138 PolarHBondContact O-N 3.4Å; Q135-L139 WeakPolarHBondContact O-CG 3.39Å; Q135-L139 PolarHBondContact O-N 3.4Å |
| 136 | L | 94.5 | Very high | 93 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 176.8 | -70.9 | 174.2 | 0 | 0 | 0 | 111.8 | Q132 V133 G138 L139 E140 | Q132-L136 WeakPolarHBondContact O-CG 3.29Å; Q132-L136 PolarHBondContact O-N 2.93Å; V133-L136 PolarHBondContact O-N 2.89Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.43Å; L136-L139 PolarHBondContact O-N 2.9Å; L136-E140 PolarHBondContact O-N 3.13Å |
| 137 | R | 94.9 | Very high | 92 | Very high | 145 Ų | 145 | 104.8 Ų | 104.8 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 173.6 | -76.1 | 176.6 | 177.5 | 170.2 | 1.3 | 112.2 | V133 E134 E140 Q141 | V133-R137 WeakPolarHBondContact O-CB 3.42Å; V133-R137 WeakPolarHBondContact O-CG 3.37Å; V133-R137 PolarHBondContact O-N 3.35Å; E134-R137 PolarHBondContact O-N 3.23Å; R137-E140 PolarHBondContact O-N 3.45Å; R137-Q141 VanDerWaalsContact O-CG 3.26Å; R137-Q141 WeakPolarHBondContact O-CG 3.49Å; R137-Q141 PolarHBondContact O-N 2.97Å |
| 138 | G | 93.4 | Very high | 91 | Very high | 28 Ų | 28 | 104.2 Ų | 104.2 | 29% | 0.289 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E134 Q135 L136 Q141 L142 | E134-G138 PolarHBondContact O-N 3.5Å; Q135-G138 PolarHBondContact O-N 3.4Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.43Å; G138-Q141 PolarHBondContact O-N 2.97Å; G138-L142 WeakPolarHBondContact O-CG 3.47Å; G138-L142 PolarHBondContact O-N 3.03Å |
| 139 | L | 92.8 | Very high | 89.7 | Confident | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.8 | -68.4 | 174.4 | 0 | 0 | 0 | 111.9 | Q135 L136 Q141 L142 Q143 | Q135-L139 WeakPolarHBondContact O-CG 3.39Å; Q135-L139 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 2.9Å; L139-Q141 PolarHBondContact O-N 3.49Å; L139-L142 PolarHBondContact O-N 2.84Å; L139-Q143 WeakPolarHBondContact O-CG 3.3Å; L139-Q143 PolarHBondContact O-N 2.88Å |
| 140 | E | 90.4 | Very high | 88.2 | Confident | 122 Ų | 122 | 107.7 Ų | 107.7 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | 174.4 | -79.7 | -177.7 | 160.2 | 0 | 0 | 111.9 | L136 R137 L142 Q143 V144 | L136-E140 PolarHBondContact O-N 3.13Å; R137-E140 PolarHBondContact O-N 3.45Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.28Å; E140-Q143 WeakPolarHBondContact O-CB 3.37Å; E140-Q143 PolarHBondContact O-N 3.35Å; E140-Q143 VanDerWaalsContact O-N 3.15Å; E140-V144 WeakPolarHBondContact O-CG2 3.47Å; E140-V144 PolarHBondContact O-N 3.3Å |
| 141 | Q | 88.7 | Confident | 86.6 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 177 | -72.6 | 172.3 | 24.2 | 0 | 0 | 112.1 | R137 G138 L139 V144 L145 | R137-Q141 VanDerWaalsContact O-CG 3.26Å; R137-Q141 WeakPolarHBondContact O-CG 3.49Å; R137-Q141 PolarHBondContact O-N 2.97Å; G138-Q141 PolarHBondContact O-N 2.97Å; L139-Q141 PolarHBondContact O-N 3.49Å; Q141-V144 PolarHBondContact O-N 3.07Å; Q141-L145 WeakPolarHBondContact O-CG 3.47Å; Q141-L145 PolarHBondContact O-N 3.27Å |
| 142 | L | 88.9 | Confident | 85 | Confident | 96 Ų | 96 | 117.8 Ų | 117.8 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 174.2 | -72.5 | 172.9 | 0 | 0 | 0 | 111.9 | G138 L139 E140 L145 R146 | G138-L142 WeakPolarHBondContact O-CG 3.47Å; G138-L142 PolarHBondContact O-N 3.03Å; L139-L142 PolarHBondContact O-N 2.84Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.28Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-R146 WeakPolarHBondContact O-CB 3.41Å; L142-R146 VanDerWaalsContact O-CG 3.32Å; L142-R146 WeakPolarHBondContact O-CG 3.42Å; L142-R146 PolarHBondContact O-N 3.22Å |
| 143 | Q | 86.3 | Confident | 83.1 | Confident | 117 Ų | 117 | 122.5 Ų | 122.5 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -47.9 | 173.3 | -72.5 | 174.6 | 4.8 | 0 | 0 | 111 | L139 E140 L145 R146 E147 | L139-Q143 WeakPolarHBondContact O-CG 3.3Å; L139-Q143 PolarHBondContact O-N 2.88Å; E140-Q143 WeakPolarHBondContact O-CB 3.37Å; E140-Q143 PolarHBondContact O-N 3.35Å; E140-Q143 VanDerWaalsContact O-N 3.15Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.38Å; Q143-R146 CarbonylContact O-C 3.59Å; Q143-R146 WeakPolarHBondContact O-CB 3.28Å; Q143-R146 PolarHBondContact O-N 3.48Å; Q143-R146 VanDerWaalsContact O-N 3.12Å; Q143-E147 PolarHBondContact O-N 2.95Å |
| 144 | V | 85.8 | Confident | 80.9 | Confident | 66 Ų | 66 | 123.1 Ų | 123.1 | 40% | 0.4 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -38.7 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111.8 | E140 Q141 K148 | E140-V144 WeakPolarHBondContact O-CG2 3.47Å; E140-V144 PolarHBondContact O-N 3.3Å; Q141-V144 PolarHBondContact O-N 3.07Å; V144-K148 HydrophobicContact CG1-CD 4.1Å; V144-K148 HydrophobicContact CG1-CG 4.5Å; V144-K148 WeakPolarHBondContact O-CB 3.17Å; V144-K148 VanDerWaalsContact O-CG 3.24Å; V144-K148 WeakPolarHBondContact O-CG 3.47Å; V144-K148 PolarHBondContact O-N 2.86Å |
| 145 | L | 85.2 | Confident | 78.9 | Confident | 101 Ų | 101 | 124.4 Ų | 124.4 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -38.9 | 174.9 | -74.1 | 174.5 | 0 | 0 | 0 | 112.4 | Q141 L142 Q143 K148 R149 | Q141-L145 WeakPolarHBondContact O-CG 3.47Å; Q141-L145 PolarHBondContact O-N 3.27Å; L142-L145 PolarHBondContact O-N 3.43Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.38Å; L145-K148 PolarHBondContact O-N 2.97Å; L145-R149 WeakPolarHBondContact O-CG 3.31Å; L145-R149 PolarHBondContact O-N 3.45Å |
| 146 | R | 80.6 | Confident | 76.6 | Confident | 180 Ų | 180 | 126.4 Ų | 126.4 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -47.6 | 173 | -76.4 | 178.8 | -176.5 | -168.4 | 2.8 | 110.7 | L142 Q143 K148 R149 E150 | L142-R146 WeakPolarHBondContact O-CB 3.41Å; L142-R146 VanDerWaalsContact O-CG 3.32Å; L142-R146 WeakPolarHBondContact O-CG 3.42Å; L142-R146 PolarHBondContact O-N 3.22Å; Q143-R146 CarbonylContact O-C 3.59Å; Q143-R146 WeakPolarHBondContact O-CB 3.28Å; Q143-R146 PolarHBondContact O-N 3.48Å; Q143-R146 VanDerWaalsContact O-N 3.12Å; R146-K148 VanDerWaalsContact C-N 3.34Å; R146-K148 PolarHBondContact O-N 2.88Å; R146-R149 CarbonylContact O-C 3.54Å; R146-R149 WeakPolarHBondContact O-CB 3.5Å; R146-R149 PolarHBondContact O-N 2.85Å; R146-R149 VanDerWaalsContact O-N 3.11Å; R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.21Å |
| 147 | E | 77.8 | Confident | 74.5 | Confident | 86 Ų | 86 | 125.9 Ų | 125.9 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -41.8 | 174.3 | -78.3 | -169.2 | -160.1 | 0 | 0 | 112 | Q143 R149 E150 R151 | Q143-E147 PolarHBondContact O-N 2.95Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.4Å; E147-E150 PolarHBondContact O-N 3.44Å; E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.35Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE2-CZ 2.88Å; E147-R151 IonicContact OE2-NE 3.89Å; E147-R151 IonicContact OE2-NH2 3.86Å; E147-R151 PolarHBondContact OE2-NH2 3.14Å |
| 148 | K | 76.3 | Confident | 71.8 | Confident | 120 Ų | 120 | 128.6 Ų | 128.6 | 52% | 0.522 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.5 | -35.7 | 175.5 | -76.8 | 172.8 | -179.3 | 177.2 | 0 | 112 | V144 L145 R146 R152 | V144-K148 HydrophobicContact CG1-CD 4.1Å; V144-K148 HydrophobicContact CG1-CG 4.5Å; V144-K148 WeakPolarHBondContact O-CB 3.17Å; V144-K148 VanDerWaalsContact O-CG 3.24Å; V144-K148 WeakPolarHBondContact O-CG 3.47Å; V144-K148 PolarHBondContact O-N 2.86Å; L145-K148 PolarHBondContact O-N 2.97Å; R146-K148 VanDerWaalsContact C-N 3.34Å; R146-K148 PolarHBondContact O-N 2.88Å; K148-R152 VanDerWaalsContact O-CG 3.26Å; K148-R152 WeakPolarHBondContact O-CG 3.4Å; K148-R152 PolarHBondContact O-N 3.47Å; K148-R152 VanDerWaalsContact O-N 3.17Å |
| 149 | R | 71.3 | Confident | 70.1 | Confident | 180 Ų | 180 | 133.8 Ų | 133.8 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.7 | -38.7 | 173.4 | -79.3 | -178.9 | 176.8 | 170.6 | 0.7 | 112 | L145 R146 E147 R152 R153 | L145-R149 WeakPolarHBondContact O-CG 3.31Å; L145-R149 PolarHBondContact O-N 3.45Å; R146-R149 CarbonylContact O-C 3.54Å; R146-R149 WeakPolarHBondContact O-CB 3.5Å; R146-R149 PolarHBondContact O-N 2.85Å; R146-R149 VanDerWaalsContact O-N 3.11Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.4Å; R149-R152 PolarHBondContact O-N 2.95Å; R149-R153 WeakPolarHBondContact O-CG 3.31Å; R149-R153 PolarHBondContact O-N 3.23Å; R149-R153 VanDerWaalsContact O-N 3.17Å |
| 150 | E | 64.7 | Low | 68.2 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.3 | -46.4 | 174.1 | -87.3 | -179.5 | 157 | 0 | 0 | 111.3 | R146 E147 R152 R153 T154 | R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.21Å; E147-E150 PolarHBondContact O-N 3.44Å; E150-R152 PolarHBondContact O-N 3.14Å; E150-R153 CarbonylContact O-C 3.44Å; E150-R153 WeakPolarHBondContact O-CA 3.46Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.94Å; E150-T154 WeakPolarHBondContact O-CG2 3.23Å; E150-T154 PolarHBondContact O-N 3.31Å; E150-T154 PolarHBondContact O-OG1 2.97Å; E150-T154 VanDerWaalsContact O-OG1 3.13Å |
| 151 | R | 63.9 | Low | 66.5 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 61% | 0.611 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -57.2 | -35.3 | 174 | -72.8 | 176.7 | -165.7 | -149.3 | 9.2 | 112.3 | E147 R153 T154 I155 | E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.35Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE2-CZ 2.88Å; E147-R151 IonicContact OE2-NE 3.89Å; E147-R151 IonicContact OE2-NH2 3.86Å; E147-R151 PolarHBondContact OE2-NH2 3.14Å; R151-R153 VanDerWaalsContact C-N 3.33Å; R151-T154 WeakPolarHBondContact CA-OG1 3.41Å; R151-T154 PolarHBondContact O-OG1 3.34Å; R151-I155 WeakPolarHBondContact O-CG1 3.46Å; R151-I155 PolarHBondContact O-N 3.04Å |
| 152 | R | 63.3 | Low | 64.6 | Low | 204 Ų | 204 | 138.7 Ų | 138.7 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.6 | -22.2 | 172.5 | -73.8 | 173.9 | -175.6 | -93.4 | 2 | 113.4 | K148 R149 E150 | K148-R152 VanDerWaalsContact O-CG 3.26Å; K148-R152 WeakPolarHBondContact O-CG 3.4Å; K148-R152 PolarHBondContact O-N 3.47Å; K148-R152 VanDerWaalsContact O-N 3.17Å; R149-R152 PolarHBondContact O-N 2.95Å; E150-R152 PolarHBondContact O-N 3.14Å |
| 153 | R | 56.5 | Low | 62.9 | Low | 190 Ų | 190 | 143.1 Ų | 143.1 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -87.8 | -31.6 | 173.4 | -69.6 | 170.7 | 179.4 | 179.2 | -2.1 | 112.4 | R149 E150 R151 I155 | R149-R153 WeakPolarHBondContact O-CG 3.31Å; R149-R153 PolarHBondContact O-N 3.23Å; R149-R153 VanDerWaalsContact O-N 3.17Å; E150-R153 CarbonylContact O-C 3.44Å; E150-R153 WeakPolarHBondContact O-CA 3.46Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.94Å; R151-R153 VanDerWaalsContact C-N 3.33Å; R153-I155 VanDerWaalsContact C-N 3.35Å; R153-I155 PolarHBondContact O-N 3.34Å |
| 154 | T | 52.2 | Low | 61.2 | Low | 79 Ų | 79 | 145.2 Ų | 145.2 | 49% | 0.485 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -86.7 | 3.9 | -178.2 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | E150 R151 H156 T157 | E150-T154 WeakPolarHBondContact O-CG2 3.23Å; E150-T154 PolarHBondContact O-N 3.31Å; E150-T154 PolarHBondContact O-OG1 2.97Å; E150-T154 VanDerWaalsContact O-OG1 3.13Å; R151-T154 WeakPolarHBondContact CA-OG1 3.41Å; R151-T154 PolarHBondContact O-OG1 3.34Å; T154-H156 PolarHBondContact O-N 3.4Å; T154-H156 VanDerWaalsContact O-N 3.13Å; T154-T157 PolarHBondContact O-N 2.88Å |
| 155 | I | 52.6 | Low | 59.5 | Low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -59 | -19.6 | 162.9 | -62.1 | 172.4 | 0 | 0 | 0 | 110.3 | R151 R153 | R151-I155 WeakPolarHBondContact O-CG1 3.46Å; R151-I155 PolarHBondContact O-N 3.04Å; R153-I155 VanDerWaalsContact C-N 3.35Å; R153-I155 PolarHBondContact O-N 3.34Å |
| 156 | H | 48.4 | Very low | 57.7 | Low | 175 Ų | 175 | 149.7 Ų | 149.7 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -112.6 | 16.1 | 176.7 | -114.6 | -55.9 | 0 | 0 | 0 | 116.3 | T154 | T154-H156 PolarHBondContact O-N 3.4Å; T154-H156 VanDerWaalsContact O-N 3.13Å |
| 157 | T | 50 | Low | 55.7 | Low | 100 Ų | 100 | 146 Ų | 146 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -157.8 | 131.6 | 170.1 | -4.6 | 0 | 0 | 0 | 0 | 113.2 | T154 | T154-T157 PolarHBondContact O-N 2.88Š|
| 158 | F | 38.9 | Very low | 54.5 | Low | 201 Ų | 201 | 147.7 Ų | 147.7 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -51.2 | 140.4 | -174.3 | -80.8 | -97.5 | 0 | 0 | 0 | 115 | C160 | F158-C160 PolarHBondContact O-N 3.46Š| ||
| 159 | P | 58.6 | Low | 53 | Low | 137 Ų | 137 | 151.4 Ų | 151.4 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -75.5 | 101.1 | 168.2 | -6.1 | 23 | 0 | 0 | 0 | 110.2 | ||||
| 160 | C | 52.9 | Low | 51.8 | Low | 99 Ų | 99 | 149 Ų | 149 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -128.4 | 108.7 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | F158 | F158-C160 PolarHBondContact O-N 3.46Š| ||
| 161 | L | 53.6 | Low | 50.7 | Low | 155 Ų | 155 | 152.7 Ų | 152.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | 51.4 | 78.8 | 146.2 | -55.6 | 175.4 | 0 | 0 | 0 | 116.6 | ||||
| 162 | K | 48.3 | Very low | 49.7 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 34.2 | 163.7 | -150.2 | 172.9 | -177.9 | 179.8 | 0 | 113.5 | ||||
| 163 | E | 53.6 | Low | 48.9 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -117.5 | 8.5 | 174.1 | -82.3 | -166.9 | 168.8 | 0 | 0 | 114.5 | ||
| 164 | L | 50.1 | Low | 48.4 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -116.9 | 9.9 | -179.1 | -70 | 174.6 | 0 | 0 | 0 | 116 | ||
| 165 | C | 50.9 | Low | 48.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -135.7 | 54.5 | -179.7 | -69.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 166 | T | 48.2 | Very low | 47.7 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -146.9 | 75.9 | 162.4 | -9.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 167 | S | 36.8 | Very low | 47.4 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 160.4 | 106.1 | 128.7 | -176 | 0 | 0 | 0 | 0 | 111 | R169 | S167-R169 PolarHBondContact O-N 2.95Š| |||
| 168 | P | 53.8 | Low | 47.1 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -86.4 | 95.2 | 162.8 | 31.9 | -23.3 | 0 | 0 | 0 | 108.2 | ||||
| 169 | R | 44.3 | Very low | 47.2 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -172.6 | 39.5 | 158.5 | -107.1 | 173.5 | -139.2 | -139.6 | 10.2 | 114.8 | S167 K171 | S167-R169 PolarHBondContact O-N 2.95Å; R169-K171 PolarHBondContact O-N 3.44Å | ||
| 170 | C | 46.4 | Very low | 46.6 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 64.8 | 159.7 | -158.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 171 | K | 41.6 | Very low | 46.5 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 9.2 | 168.4 | -80.7 | -161 | 177.9 | -179 | 0 | 114.1 | R169 | R169-K171 PolarHBondContact O-N 3.44Š|
| 172 | D | 42.9 | Very low | 46.2 | Very low | 82 Ų | 82 | 143 Ų | 143 | 44% | 0.439 | 76% | 0.755 | S | S | . | * | trans | -108.7 | 13.5 | 178.3 | -76.1 | -28 | 0 | 0 | 0 | 114.1 | ||||
| 173 | A | 46.3 | Very low | 46.3 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 174 | F | 45.7 | Very low | 46.2 | Very low | 207 Ų | 207 | 132 Ų | 132 | 91% | 0.908 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 9.1 | -179.3 | -75.2 | -79.2 | 0 | 0 | 0 | 114.4 | ||
| 175 | R | 45.3 | Very low | 46.7 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -119.6 | 3.4 | 174.1 | -151.6 | -176.4 | -78.7 | -154.8 | -2.9 | 114.1 | ||
| 176 | L | 45.2 | Very low | 47.4 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 60% | 0.602 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -102 | 14.1 | 176.4 | -70.5 | 172.8 | 0 | 0 | 0 | 113.7 | ||
| 177 | H | 42.6 | Very low | 48.6 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -112.7 | 10.3 | 171 | -73.4 | -8.2 | 0 | 0 | 0 | 113.9 | ||
| 178 | S | 42.8 | Very low | 50.5 | Low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.2 | -4.9 | 164.9 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 179 | S | 41 | Very low | 52 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -93.2 | -3.1 | 174.4 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | L181 | S179-L181 VanDerWaalsContact C-N 3.35Š|
| 180 | S | 46.1 | Very low | 54.1 | Low | 91 Ų | 91 | 123.2 Ų | 123.2 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -89.6 | 1.5 | 174.2 | -166 | 0 | 0 | 0 | 0 | 113.6 | ||
| 181 | L | 50.4 | Low | 56.1 | Low | 156 Ų | 156 | 122.1 Ų | 122.1 | 82% | 0.817 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -104.5 | 0.2 | 174.9 | -88.2 | 156.8 | 0 | 0 | 0 | 113.4 | S179 | S179-L181 VanDerWaalsContact C-N 3.35Š|
| 182 | E | 48.3 | Very low | 58.3 | Low | 175 Ų | 175 | 117 Ų | 117 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -109.7 | 51.3 | 169.8 | -67.6 | -167.1 | 179.9 | 0 | 0 | 111.2 | G184 | E182-G184 PolarHBondContact O-N 3.44Š| ||
| 183 | L | 50.3 | Low | 60.7 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | trans | -67.2 | 90.5 | 140.6 | -77.3 | 158.6 | 0 | 0 | 0 | 104.7 | P187 | L183-P187 HydrophobicContact CD2-CB 4.33Å; L183-P187 HydrophobicContact CD2-CG 3.86Å | ||
| 184 | G | 50.9 | Low | 63 | Low | 39 Ų | 39 | 122.4 Ų | 122.4 | 40% | 0.402 | 61% | 0.614 | S | S | . | * | trans | -51 | 159.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | E182 R186 P187 | E182-G184 PolarHBondContact O-N 3.44Å; G184-R186 PolarHBondContact O-N 2.89Å; G184-P187 WeakPolarHBondContact O-CD 3.31Å | ||
| 185 | P | 61.2 | Low | 65.4 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -48.7 | -24.1 | -168.3 | -29.2 | 33.7 | 0 | 0 | 0 | 116.7 | L188 E189 | P185-L188 PolarHBondContact O-N 3.48Å; P185-E189 HydrophobicContact CB-CG 4.3Å; P185-E189 WeakPolarHBondContact CB-OE1 3.32Å; P185-E189 WeakPolarHBondContact O-CB 3.44Å; P185-E189 WeakPolarHBondContact O-CG 3.44Å; P185-E189 PolarHBondContact O-N 3.36Å |
| 186 | R | 64.7 | Low | 67.8 | Low | 205 Ų | 205 | 113.5 Ų | 113.5 | 77% | 0.774 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.4 | -42.5 | -168.6 | -66.8 | -173 | 170.5 | -177.6 | -2.6 | 117.9 | G184 E189 Q190 | G184-R186 PolarHBondContact O-N 2.89Å; R186-E189 WeakPolarHBondContact CA-OE2 3.41Å; R186-Q190 WeakPolarHBondContact O-CB 3.41Å; R186-Q190 PolarHBondContact O-N 3.2Å |
| 187 | P | 73.4 | Confident | 70.3 | Confident | 56 Ų | 56 | 111.7 Ų | 111.7 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.1 | -38.7 | 178.1 | -17.2 | 32.9 | 0 | 0 | 0 | 111.7 | L183 G184 Q190 E191 | L183-P187 HydrophobicContact CD2-CB 4.33Å; L183-P187 HydrophobicContact CD2-CG 3.86Å; G184-P187 WeakPolarHBondContact O-CD 3.31Å; P187-Q190 PolarHBondContact O-N 2.92Å; P187-E191 WeakPolarHBondContact O-CG 3.38Å; P187-E191 PolarHBondContact O-N 3.18Å |
| 188 | L | 78.3 | Confident | 72.9 | Confident | 111 Ų | 111 | 108.6 Ų | 108.6 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.1 | -38.4 | 175.4 | -68.4 | 172.4 | 0 | 0 | 0 | 111.3 | P185 E191 N192 | P185-L188 PolarHBondContact O-N 3.48Å; L188-E191 PolarHBondContact O-N 2.92Å; L188-N192 VanDerWaalsContact O-CB 3.27Å; L188-N192 WeakPolarHBondContact O-CB 3.4Å; L188-N192 PolarHBondContact O-N 3.31Å |
| 189 | E | 84.3 | Confident | 75.5 | Confident | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.3 | -45.8 | 172.2 | -76.4 | 164.7 | 177.3 | 0 | 0 | 111.3 | P185 R186 E191 N192 E193 | P185-E189 HydrophobicContact CB-CG 4.3Å; P185-E189 WeakPolarHBondContact CB-OE1 3.32Å; P185-E189 WeakPolarHBondContact O-CB 3.44Å; P185-E189 WeakPolarHBondContact O-CG 3.44Å; P185-E189 PolarHBondContact O-N 3.36Å; R186-E189 WeakPolarHBondContact CA-OE2 3.41Å; E189-E191 PolarHBondContact O-N 2.8Å; E189-N192 WeakPolarHBondContact O-CB 3.31Å; E189-N192 PolarHBondContact O-N 2.89Å; E189-N192 VanDerWaalsContact O-N 3.16Å; E189-E193 WeakPolarHBondContact O-CG 3.4Å; E189-E193 PolarHBondContact O-N 3.24Å |
| 190 | Q | 88.1 | Confident | 78.3 | Confident | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | 178.1 | -169 | 174.7 | 46.4 | 0 | 0 | 112.5 | R186 P187 N192 R194 | R186-Q190 WeakPolarHBondContact O-CB 3.41Å; R186-Q190 PolarHBondContact O-N 3.2Å; P187-Q190 PolarHBondContact O-N 2.92Å; Q190-N192 VanDerWaalsContact C-N 3.34Å; Q190-R194 WeakPolarHBondContact O-CB 3.31Å; Q190-R194 VanDerWaalsContact O-CG 3.26Å; Q190-R194 WeakPolarHBondContact O-CG 3.38Å; Q190-R194 PolarHBondContact O-N 3.29Å |
| 191 | E | 88.8 | Confident | 80.7 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 171.7 | -74.4 | -172.7 | 170.7 | 0 | 0 | 111.9 | P187 L188 E189 R194 L195 | P187-E191 WeakPolarHBondContact O-CG 3.38Å; P187-E191 PolarHBondContact O-N 3.18Å; L188-E191 PolarHBondContact O-N 2.92Å; E189-E191 PolarHBondContact O-N 2.8Å; E191-R194 PolarHBondContact O-N 2.99Å; E191-L195 WeakPolarHBondContact O-CB 3.46Å; E191-L195 VanDerWaalsContact O-CG 3.26Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.34Å |
| 192 | N | 88.8 | Confident | 82.9 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.6 | -152.2 | -28.4 | 0 | 0 | 0 | 111.4 | L188 E189 Q190 L195 Q196 | L188-N192 VanDerWaalsContact O-CB 3.27Å; L188-N192 WeakPolarHBondContact O-CB 3.4Å; L188-N192 PolarHBondContact O-N 3.31Å; E189-N192 WeakPolarHBondContact O-CB 3.31Å; E189-N192 PolarHBondContact O-N 2.89Å; E189-N192 VanDerWaalsContact O-N 3.16Å; Q190-N192 VanDerWaalsContact C-N 3.34Å; N192-L195 PolarHBondContact O-N 2.92Å; N192-Q196 WeakPolarHBondContact O-CB 3.35Å; N192-Q196 WeakPolarHBondContact O-CG 3.44Å; N192-Q196 PolarHBondContact O-N 2.99Å; N192-Q196 PolarHBondContact OD1-NE2 2.91Å |
| 193 | E | 93.4 | Very high | 85.3 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 172.1 | -72.4 | 176.4 | 174.8 | 0 | 0 | 112.3 | E189 Q196 S197 | E189-E193 WeakPolarHBondContact O-CG 3.4Å; E189-E193 PolarHBondContact O-N 3.24Å; E193-Q196 PolarHBondContact O-N 3.37Å; E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-N 3.03Å; E193-S197 PolarHBondContact O-OG 3Å; E193-S197 VanDerWaalsContact O-OG 3.08Å |
| 194 | R | 94.3 | Very high | 87.5 | Confident | 139 Ų | 139 | 98 Ų | 98 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 174 | -74.1 | 174 | -173.7 | 151.9 | 5.3 | 111.7 | Q190 E191 S197 L198 | Q190-R194 WeakPolarHBondContact O-CB 3.31Å; Q190-R194 VanDerWaalsContact O-CG 3.26Å; Q190-R194 WeakPolarHBondContact O-CG 3.38Å; Q190-R194 PolarHBondContact O-N 3.29Å; E191-R194 PolarHBondContact O-N 2.99Å; R194-S197 WeakPolarHBondContact CA-OG 3.36Å; R194-S197 PolarHBondContact O-N 2.98Å; R194-S197 PolarHBondContact O-OG 3.39Å; R194-L198 WeakPolarHBondContact O-CB 3.23Å; R194-L198 PolarHBondContact O-N 3.37Å |
| 195 | L | 95.8 | Very high | 89.7 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.7 | -72.1 | 172.1 | 0 | 0 | 0 | 111.4 | E191 N192 L198 V199 | E191-L195 WeakPolarHBondContact O-CB 3.46Å; E191-L195 VanDerWaalsContact O-CG 3.26Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.34Å; N192-L195 PolarHBondContact O-N 2.92Å; L195-L198 PolarHBondContact O-N 2.88Å; L195-V199 WeakPolarHBondContact O-CB 3.45Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.46Å |
| 196 | Q | 96.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 175.9 | -74.7 | 170.9 | 24.6 | 0 | 0 | 111.9 | N192 E193 V199 G200 | N192-Q196 WeakPolarHBondContact O-CB 3.35Å; N192-Q196 WeakPolarHBondContact O-CG 3.44Å; N192-Q196 PolarHBondContact O-N 2.99Å; N192-Q196 PolarHBondContact OD1-NE2 2.91Å; E193-Q196 PolarHBondContact O-N 3.37Å; Q196-V199 PolarHBondContact O-N 3.27Å; Q196-G200 PolarHBondContact O-N 3.5Å |
| 197 | S | 96.9 | Very high | 93.1 | Very high | 78 Ų | 78 | 94.2 Ų | 94.2 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | E193 R194 G200 A201 | E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-N 3.03Å; E193-S197 PolarHBondContact O-OG 3Å; E193-S197 VanDerWaalsContact O-OG 3.08Å; R194-S197 WeakPolarHBondContact CA-OG 3.36Å; R194-S197 PolarHBondContact O-N 2.98Å; R194-S197 PolarHBondContact O-OG 3.39Å; S197-G200 PolarHBondContact O-N 2.87Å; S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 2.96Å |
| 198 | L | 97.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.5 | -175.7 | 66.6 | 0 | 0 | 0 | 111.8 | R194 L195 G200 A201 L202 | R194-L198 WeakPolarHBondContact O-CB 3.23Å; R194-L198 PolarHBondContact O-N 3.37Å; L195-L198 PolarHBondContact O-N 2.88Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 2.83Å; L198-A201 PolarHBondContact O-N 2.91Å; L198-L202 HydrophobicContact CG-CD1 4.23Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.35Å |
| 199 | V | 97.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | L195 Q196 L202 R203 | L195-V199 WeakPolarHBondContact O-CB 3.45Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.46Å; Q196-V199 PolarHBondContact O-N 3.27Å; V199-L202 PolarHBondContact O-N 2.92Å; V199-R203 HydrophobicContact CG1-CG 4.44Å; V199-R203 WeakPolarHBondContact O-CB 3.49Å; V199-R203 WeakPolarHBondContact O-CG 3.4Å; V199-R203 PolarHBondContact O-N 3.41Å |
| 200 | G | 97.8 | Very high | 95.8 | Very high | 37 Ų | 37 | 98.3 Ų | 98.3 | 38% | 0.381 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q196 S197 L198 R203 S204 | Q196-G200 PolarHBondContact O-N 3.5Å; S197-G200 PolarHBondContact O-N 2.87Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 2.83Å; G200-R203 PolarHBondContact O-N 3.27Å; G200-S204 PolarHBondContact O-N 3.23Å |
| 201 | A | 97.4 | Very high | 96.3 | Very high | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S197 L198 R203 S204 Q205 | S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 2.96Å; L198-A201 PolarHBondContact O-N 2.91Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.12Å; A201-S204 PolarHBondContact O-N 3.08Å; A201-S204 PolarHBondContact O-OG 3.38Å; A201-Q205 WeakPolarHBondContact O-CB 3.23Å; A201-Q205 PolarHBondContact O-N 3.2Å |
| 202 | L | 97.7 | Very high | 96.7 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175 | -72.7 | 173.2 | 0 | 0 | 0 | 111.4 | L198 V199 Q205 V206 | L198-L202 HydrophobicContact CG-CD1 4.23Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.35Å; V199-L202 PolarHBondContact O-N 2.92Å; L202-Q205 PolarHBondContact O-N 2.95Å; L202-V206 WeakPolarHBondContact O-CB 3.29Å; L202-V206 VanDerWaalsContact O-CG2 3.24Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.25Å |
| 203 | R | 98.1 | Very high | 97.1 | Very high | 186 Ų | 186 | 100.7 Ų | 100.7 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 175.3 | -76.1 | 174.7 | -177.5 | -158.9 | 2.7 | 112 | V199 G200 A201 V206 S207 | V199-R203 HydrophobicContact CG1-CG 4.44Å; V199-R203 WeakPolarHBondContact O-CB 3.49Å; V199-R203 WeakPolarHBondContact O-CG 3.4Å; V199-R203 PolarHBondContact O-N 3.41Å; G200-R203 PolarHBondContact O-N 3.27Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.12Å; R203-V206 PolarHBondContact O-N 3.34Å; R203-S207 PolarHBondContact O-N 3.23Å |
| 204 | S | 96.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 98.7 Ų | 98.7 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | G200 A201 S207 Q208 | G200-S204 PolarHBondContact O-N 3.23Å; A201-S204 PolarHBondContact O-N 3.08Å; A201-S204 PolarHBondContact O-OG 3.38Å; S204-S207 WeakPolarHBondContact CA-OG 3.49Å; S204-S207 PolarHBondContact O-N 3.39Å; S204-S207 PolarHBondContact O-OG 3.41Å; S204-Q208 PolarHBondContact O-N 3.13Å |
| 205 | Q | 97.5 | Very high | 97.5 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.7 | -172.7 | 177.6 | -4.3 | 0 | 0 | 111.8 | A201 L202 S207 Q208 E209 | A201-Q205 WeakPolarHBondContact O-CB 3.23Å; A201-Q205 PolarHBondContact O-N 3.2Å; L202-Q205 PolarHBondContact O-N 2.95Å; Q205-S207 VanDerWaalsContact C-N 3.3Å; Q205-S207 PolarHBondContact O-N 3.49Å; Q205-Q208 PolarHBondContact O-N 2.9Å; Q205-E209 WeakPolarHBondContact O-CG 3.49Å; Q205-E209 PolarHBondContact O-N 3.27Å |
| 206 | V | 97.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 175.1 | 169 | 0 | 0 | 0 | 0 | 111.4 | L202 R203 Q208 E209 R210 | L202-V206 WeakPolarHBondContact O-CB 3.29Å; L202-V206 VanDerWaalsContact O-CG2 3.24Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.25Å; R203-V206 PolarHBondContact O-N 3.34Å; V206-Q208 VanDerWaalsContact C-N 3.35Å; V206-E209 PolarHBondContact O-N 2.97Å; V206-R210 VanDerWaalsContact O-CG 3.29Å; V206-R210 WeakPolarHBondContact O-CG 3.35Å; V206-R210 PolarHBondContact O-N 3.47Å |
| 207 | S | 97.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 176.1 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | R203 S204 Q205 R210 Q211 | R203-S207 PolarHBondContact O-N 3.23Å; S204-S207 WeakPolarHBondContact CA-OG 3.49Å; S204-S207 PolarHBondContact O-N 3.39Å; S204-S207 PolarHBondContact O-OG 3.41Å; Q205-S207 VanDerWaalsContact C-N 3.3Å; Q205-S207 PolarHBondContact O-N 3.49Å; S207-R210 PolarHBondContact O-N 3.42Å; S207-Q211 PolarHBondContact O-N 2.89Å |
| 208 | Q | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 176.6 | -170.2 | 175.6 | 46.5 | 0 | 0 | 111.3 | S204 Q205 V206 Q211 R212 | S204-Q208 PolarHBondContact O-N 3.13Å; Q205-Q208 PolarHBondContact O-N 2.9Å; V206-Q208 VanDerWaalsContact C-N 3.35Å; Q208-Q211 PolarHBondContact O-N 3.5Å; Q208-R212 WeakPolarHBondContact O-CG 3.35Å; Q208-R212 PolarHBondContact O-N 3.32Å |
| 209 | E | 97.9 | Very high | 97.7 | Very high | 93 Ų | 93 | 98.6 Ų | 98.6 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 174.1 | -72.5 | -53.6 | 141.5 | 0 | 0 | 112.1 | Q205 V206 Q211 R212 K213 | Q205-E209 WeakPolarHBondContact O-CG 3.49Å; Q205-E209 PolarHBondContact O-N 3.27Å; V206-E209 PolarHBondContact O-N 2.97Å; E209-Q211 VanDerWaalsContact C-N 3.34Å; E209-Q211 PolarHBondContact O-N 2.87Å; E209-R212 PolarHBondContact O-N 2.91Å; E209-R212 IonicContact OE1-CZ 3.77Å; E209-R212 IonicContact OE1-NH1 2.88Å; E209-R212 PolarHBondContact OE1-NH1 2.88Å; E209-K213 WeakPolarHBondContact O-CB 3.44Å; E209-K213 PolarHBondContact O-N 3.43Å |
| 210 | R | 98 | Very high | 97.6 | Very high | 168 Ų | 168 | 102.7 Ų | 102.7 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 173 | -74.8 | 175.1 | -175.5 | -165.2 | 0.7 | 111.5 | V206 S207 R212 K213 E214 | V206-R210 VanDerWaalsContact O-CG 3.29Å; V206-R210 WeakPolarHBondContact O-CG 3.35Å; V206-R210 PolarHBondContact O-N 3.47Å; S207-R210 PolarHBondContact O-N 3.42Å; R210-R212 PolarHBondContact O-N 2.93Å; R210-K213 PolarHBondContact O-N 2.92Å; R210-E214 WeakPolarHBondContact O-CG 3.48Å; R210-E214 PolarHBondContact O-N 2.92Å |
| 211 | Q | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.9 | -168.9 | -178.6 | 26.2 | 0 | 0 | 112.3 | S207 Q208 E209 E214 R215 | S207-Q211 PolarHBondContact O-N 2.89Å; Q208-Q211 PolarHBondContact O-N 3.5Å; E209-Q211 VanDerWaalsContact C-N 3.34Å; E209-Q211 PolarHBondContact O-N 2.87Å; Q211-E214 PolarHBondContact O-N 3.45Å; Q211-R215 VanDerWaalsContact O-CG 3.32Å; Q211-R215 WeakPolarHBondContact O-CG 3.46Å; Q211-R215 PolarHBondContact O-N 3.49Å |
| 212 | R | 97.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 103.8 Ų | 103.8 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174 | -74.5 | 175.5 | -178.8 | 143.7 | 4.4 | 111 | Q208 E209 R210 R215 A216 | Q208-R212 WeakPolarHBondContact O-CG 3.35Å; Q208-R212 PolarHBondContact O-N 3.32Å; E209-R212 PolarHBondContact O-N 2.91Å; E209-R212 IonicContact OE1-CZ 3.77Å; E209-R212 IonicContact OE1-NH1 2.88Å; E209-R212 PolarHBondContact OE1-NH1 2.88Å; R210-R212 PolarHBondContact O-N 2.93Å; R212-R215 PolarHBondContact O-N 3.09Å; R212-A216 PolarHBondContact O-N 3.21Å |
| 213 | K | 97.9 | Very high | 97.7 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.7 | -49.1 | 176.1 | -180 | 178.5 | 166.3 | 178.1 | 0 | 111.6 | E209 R210 R215 A216 E217 | E209-K213 WeakPolarHBondContact O-CB 3.44Å; E209-K213 PolarHBondContact O-N 3.43Å; R210-K213 PolarHBondContact O-N 2.92Å; K213-R215 VanDerWaalsContact C-N 3.28Å; K213-R215 PolarHBondContact O-N 3Å; K213-A216 PolarHBondContact O-N 3.37Å; K213-E217 WeakPolarHBondContact CE-OE1 3.39Å; K213-E217 HydrophobicContact CG-CG 4.42Å; K213-E217 IonicContact NZ-OE1 3.57Å; K213-E217 WeakPolarHBondContact O-CB 3.17Å; K213-E217 WeakPolarHBondContact O-CG 3.49Å; K213-E217 PolarHBondContact O-N 2.92Å |
| 214 | E | 98.3 | Very high | 97.7 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -32.6 | 178.8 | -70.3 | 175.7 | -161.6 | 0 | 0 | 112.9 | R210 Q211 R218 | R210-E214 WeakPolarHBondContact O-CG 3.48Å; R210-E214 PolarHBondContact O-N 2.92Å; Q211-E214 PolarHBondContact O-N 3.45Å; E214-R218 VanDerWaalsContact CB-NH1 3.32Å; E214-R218 VanDerWaalsContact O-CG 3.29Å; E214-R218 WeakPolarHBondContact O-CG 3.38Å; E214-R218 PolarHBondContact O-N 3.36Å; E214-R218 PolarHBondContact O-NH1 2.88Å; E214-R218 IonicContact OE2-CZ 3.71Å; E214-R218 IonicContact OE2-NH1 3.67Å; E214-R218 IonicContact OE2-NH2 2.61Å; E214-R218 PolarHBondContact OE2-NH2 2.9Å |
| 215 | R | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 175.1 | -72.4 | 173.8 | -169.6 | 172.6 | 3.7 | 110.7 | Q211 R212 K213 E217 R218 E219 | Q211-R215 VanDerWaalsContact O-CG 3.32Å; Q211-R215 WeakPolarHBondContact O-CG 3.46Å; Q211-R215 PolarHBondContact O-N 3.49Å; R212-R215 PolarHBondContact O-N 3.09Å; K213-R215 VanDerWaalsContact C-N 3.28Å; K213-R215 PolarHBondContact O-N 3Å; R215-E217 VanDerWaalsContact C-N 3.29Å; R215-E217 PolarHBondContact O-N 3.43Å; R215-R218 PolarHBondContact O-N 2.84Å; R215-R218 VanDerWaalsContact O-N 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.04Å; R215-E219 PolarHBondContact O-N 3.48Å |
| 216 | A | 95.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | R212 K213 E219 Y220 | R212-A216 PolarHBondContact O-N 3.21Å; K213-A216 PolarHBondContact O-N 3.37Å; A216-E219 PolarHBondContact O-N 2.92Å; A216-Y220 WeakPolarHBondContact O-CB 3.23Å; A216-Y220 PolarHBondContact O-N 3.27Å |
| 217 | E | 98 | Very high | 97.8 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.5 | -76.5 | 175.7 | 169.7 | 0 | 0 | 111.9 | K213 R215 Y220 T221 | K213-E217 WeakPolarHBondContact CE-OE1 3.39Å; K213-E217 HydrophobicContact CG-CG 4.42Å; K213-E217 IonicContact NZ-OE1 3.57Å; K213-E217 WeakPolarHBondContact O-CB 3.17Å; K213-E217 WeakPolarHBondContact O-CG 3.49Å; K213-E217 PolarHBondContact O-N 2.92Å; R215-E217 VanDerWaalsContact C-N 3.29Å; R215-E217 PolarHBondContact O-N 3.43Å; E217-Y220 PolarHBondContact O-N 3.36Å; E217-T221 WeakPolarHBondContact O-CG2 3.47Å; E217-T221 PolarHBondContact O-N 2.93Å; E217-T221 PolarHBondContact O-OG1 3Å |
| 218 | R | 98.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.3 | -71.1 | 174.9 | -163.4 | 98.4 | 1.1 | 111.8 | E214 R215 T221 A222 | E214-R218 VanDerWaalsContact CB-NH1 3.32Å; E214-R218 VanDerWaalsContact O-CG 3.29Å; E214-R218 WeakPolarHBondContact O-CG 3.38Å; E214-R218 PolarHBondContact O-N 3.36Å; E214-R218 PolarHBondContact O-NH1 2.88Å; E214-R218 IonicContact OE2-CZ 3.71Å; E214-R218 IonicContact OE2-NH1 3.67Å; E214-R218 IonicContact OE2-NH2 2.61Å; E214-R218 PolarHBondContact OE2-NH2 2.9Å; R215-R218 PolarHBondContact O-N 2.84Å; R215-R218 VanDerWaalsContact O-N 3.15Å; R218-T221 WeakPolarHBondContact CA-OG1 3.43Å; R218-T221 PolarHBondContact O-N 2.88Å; R218-T221 PolarHBondContact O-OG1 3.32Å; R218-A222 PolarHBondContact O-N 3.45Å |
| 219 | E | 98 | Very high | 97.8 | Very high | 128 Ų | 128 | 104.9 Ų | 104.9 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -45.8 | 175.6 | -70.4 | 164.4 | -166.4 | 0 | 0 | 110.8 | R215 A216 T221 A222 V223 | R215-E219 WeakPolarHBondContact O-CG 3.04Å; R215-E219 PolarHBondContact O-N 3.48Å; A216-E219 PolarHBondContact O-N 2.92Å; E219-T221 PolarHBondContact O-N 3.27Å; E219-A222 PolarHBondContact O-N 2.93Å; E219-A222 VanDerWaalsContact O-N 3.17Å; E219-V223 WeakPolarHBondContact O-CG2 3.27Å; E219-V223 PolarHBondContact O-N 3.32Å |
| 220 | Y | 96.2 | Very high | 97.8 | Very high | 153 Ų | 153 | 105 Ų | 105 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 175.1 | 179.4 | -105.8 | 0 | 0 | 0 | 112.3 | A216 E217 A222 V223 L224 | A216-Y220 WeakPolarHBondContact O-CB 3.23Å; A216-Y220 PolarHBondContact O-N 3.27Å; E217-Y220 PolarHBondContact O-N 3.36Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 PolarHBondContact O-N 2.94Å; Y220-V223 PolarHBondContact O-N 3.29Å; Y220-L224 HydrophobicContact CD1-CD1 3.9Å; Y220-L224 HydrophobicContact CD1-CG 4.41Å; Y220-L224 HydrophobicContact CE1-CD1 3.33Å; Y220-L224 HydrophobicContact CE1-CG 4.01Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.34Å; Y220-L224 WeakPolarHBondContact O-CG 3.41Å; Y220-L224 PolarHBondContact O-N 3.43Å |
| 221 | T | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 113 | E217 R218 E219 Q225 | E217-T221 WeakPolarHBondContact O-CG2 3.47Å; E217-T221 PolarHBondContact O-N 2.93Å; E217-T221 PolarHBondContact O-OG1 3Å; R218-T221 WeakPolarHBondContact CA-OG1 3.43Å; R218-T221 PolarHBondContact O-N 2.88Å; R218-T221 PolarHBondContact O-OG1 3.32Å; E219-T221 PolarHBondContact O-N 3.27Å; T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 3.02Å; T221-Q225 VanDerWaalsContact O-N 3.14Å |
| 222 | A | 98 | Very high | 97.8 | Very high | 38 Ų | 38 | 102.6 Ų | 102.6 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | R218 E219 Y220 L224 Q225 E226 | R218-A222 PolarHBondContact O-N 3.45Å; E219-A222 PolarHBondContact O-N 2.93Å; E219-A222 VanDerWaalsContact O-N 3.17Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 PolarHBondContact O-N 2.94Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.05Å; A222-Q225 WeakPolarHBondContact O-CB 3.17Å; A222-Q225 PolarHBondContact O-N 3.08Å; A222-E226 WeakPolarHBondContact O-CG 3.47Å; A222-E226 PolarHBondContact O-N 2.97Å |
| 223 | V | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | E219 Y220 Q225 E226 Y227 | E219-V223 WeakPolarHBondContact O-CG2 3.27Å; E219-V223 PolarHBondContact O-N 3.32Å; Y220-V223 PolarHBondContact O-N 3.29Å; V223-Q225 VanDerWaalsContact C-N 3.31Å; V223-Q225 PolarHBondContact O-N 2.9Å; V223-E226 PolarHBondContact O-N 3.16Å; V223-Y227 WeakPolarHBondContact O-CB 3.44Å; V223-Y227 PolarHBondContact O-N 2.92Å |
| 224 | L | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 41% | 0.414 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 174.4 | -76.1 | 179.8 | 0 | 0 | 0 | 112.7 | Y220 A222 S228 | Y220-L224 HydrophobicContact CD1-CD1 3.9Å; Y220-L224 HydrophobicContact CD1-CG 4.41Å; Y220-L224 HydrophobicContact CE1-CD1 3.33Å; Y220-L224 HydrophobicContact CE1-CG 4.01Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.34Å; Y220-L224 WeakPolarHBondContact O-CG 3.41Å; Y220-L224 PolarHBondContact O-N 3.43Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.05Å; L224-S228 PolarHBondContact O-N 2.88Å |
| 225 | Q | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.9 | -48.4 | 175.3 | -72 | 168.9 | -6 | 0 | 0 | 110.6 | T221 A222 V223 Y227 S228 E229 | T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 3.02Å; T221-Q225 VanDerWaalsContact O-N 3.14Å; A222-Q225 WeakPolarHBondContact O-CB 3.17Å; A222-Q225 PolarHBondContact O-N 3.08Å; V223-Q225 VanDerWaalsContact C-N 3.31Å; V223-Q225 PolarHBondContact O-N 2.9Å; Q225-Y227 VanDerWaalsContact C-N 3.31Å; Q225-Y227 PolarHBondContact O-N 3.3Å; Q225-S228 PolarHBondContact O-N 3.49Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; Q225-S228 PolarHBondContact O-OG 3.42Å; Q225-E229 WeakPolarHBondContact O-CG 3.23Å; Q225-E229 PolarHBondContact O-N 2.98Å |
| 226 | E | 98.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.5 | -43.6 | 175.8 | -68.8 | 173.6 | -177.8 | 0 | 0 | 111.6 | A222 V223 S228 E229 L230 | A222-E226 WeakPolarHBondContact O-CG 3.47Å; A222-E226 PolarHBondContact O-N 2.97Å; V223-E226 PolarHBondContact O-N 3.16Å; E226-S228 PolarHBondContact O-N 3.17Å; E226-E229 PolarHBondContact O-N 3.41Å; E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 3.44Å |
| 227 | Y | 96.8 | Very high | 97.8 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.7 | -173.5 | -104.2 | 0 | 0 | 0 | 111.9 | V223 Q225 E229 L230 E231 | V223-Y227 WeakPolarHBondContact O-CB 3.44Å; V223-Y227 PolarHBondContact O-N 2.92Å; Q225-Y227 VanDerWaalsContact C-N 3.31Å; Q225-Y227 PolarHBondContact O-N 3.3Å; Y227-E229 VanDerWaalsContact C-N 3.3Å; Y227-E229 PolarHBondContact O-N 3.42Å; Y227-L230 PolarHBondContact O-N 3.27Å; Y227-E231 HydrophobicContact CD1-CG 4.25Å; Y227-E231 HydrophobicContact CE1-CG 3.99Å; Y227-E231 WeakPolarHBondContact CE1-OE1 3.37Å; Y227-E231 WeakPolarHBondContact O-CG 3.46Å; Y227-E231 PolarHBondContact O-N 2.94Å |
| 228 | S | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 103.1 Ų | 103.1 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -32 | 177.6 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | L224 Q225 E226 R232 | L224-S228 PolarHBondContact O-N 2.88Å; Q225-S228 PolarHBondContact O-N 3.49Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; Q225-S228 PolarHBondContact O-OG 3.42Å; E226-S228 PolarHBondContact O-N 3.17Å; S228-R232 PolarHBondContact O-N 2.83Å; S228-R232 VanDerWaalsContact O-N 3.1Å |
| 229 | E | 98.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -41 | 175.3 | -72.5 | 178 | -173.6 | 0 | 0 | 111.6 | Q225 E226 Y227 R232 Q233 | Q225-E229 WeakPolarHBondContact O-CG 3.23Å; Q225-E229 PolarHBondContact O-N 2.98Å; E226-E229 PolarHBondContact O-N 3.41Å; Y227-E229 VanDerWaalsContact C-N 3.3Å; Y227-E229 PolarHBondContact O-N 3.42Å; E229-R232 PolarHBondContact O-N 2.88Å; E229-Q233 WeakPolarHBondContact O-CG 3.48Å; E229-Q233 PolarHBondContact O-N 3.23Å |
| 230 | L | 97.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 97 Ų | 97 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.6 | -70.3 | 172 | 0 | 0 | 0 | 111.5 | E226 Y227 R232 Q233 L234 | E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 3.44Å; Y227-L230 PolarHBondContact O-N 3.27Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 PolarHBondContact O-N 3.37Å; L230-Q233 PolarHBondContact O-N 3.47Å; L230-Q233 VanDerWaalsContact O-N 3.16Å; L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.16Å |
| 231 | E | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 173.9 | -74.6 | -177.7 | 146.1 | 0 | 0 | 111.5 | Y227 Q233 L234 C235 | Y227-E231 HydrophobicContact CD1-CG 4.25Å; Y227-E231 HydrophobicContact CE1-CG 3.99Å; Y227-E231 WeakPolarHBondContact CE1-OE1 3.37Å; Y227-E231 WeakPolarHBondContact O-CG 3.46Å; Y227-E231 PolarHBondContact O-N 2.94Å; E231-Q233 VanDerWaalsContact C-N 3.35Å; E231-Q233 PolarHBondContact O-N 3.35Å; E231-L234 PolarHBondContact O-N 3.17Å; E231-C235 PolarHBondContact O-N 2.89Å; E231-C235 PolarHBondContact O-SG 3.17Å; E231-C235 VanDerWaalsContact O-SG 3.33Å |
| 232 | R | 98.1 | Very high | 97.9 | Very high | 125 Ų | 125 | 96.5 Ų | 96.5 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 175.6 | -175.9 | -171.1 | 62.5 | 78.4 | 7.7 | 111.6 | S228 E229 L230 L234 C235 E236 | S228-R232 PolarHBondContact O-N 2.83Å; S228-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 PolarHBondContact O-N 2.88Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 PolarHBondContact O-N 3.37Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.01Å; R232-C235 PolarHBondContact O-N 2.68Å; R232-E236 IonicContact CZ-OE1 2.88Å; R232-E236 IonicContact CZ-OE2 3.62Å; R232-E236 IonicContact NH1-OE1 2.68Å; R232-E236 PolarHBondContact NH1-OE1 3.05Å; R232-E236 IonicContact NH1-OE2 2.67Å; R232-E236 PolarHBondContact NH1-OE2 2.8Å; R232-E236 WeakPolarHBondContact O-CG 2.97Å; R232-E236 PolarHBondContact O-N 3.42Å |
| 233 | Q | 98.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 178 | -72.5 | 174.8 | 4.5 | 0 | 0 | 111.9 | E229 L230 E231 E236 M237 | E229-Q233 WeakPolarHBondContact O-CG 3.48Å; E229-Q233 PolarHBondContact O-N 3.23Å; L230-Q233 PolarHBondContact O-N 3.47Å; L230-Q233 VanDerWaalsContact O-N 3.16Å; E231-Q233 VanDerWaalsContact C-N 3.35Å; E231-Q233 PolarHBondContact O-N 3.35Å; Q233-E236 PolarHBondContact O-N 2.89Å; Q233-M237 WeakPolarHBondContact O-CG 3.38Å; Q233-M237 PolarHBondContact O-N 2.8Å |
| 234 | L | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 99.6 Ų | 99.6 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 175.2 | -72.3 | 174 | 0 | 0 | 0 | 111.3 | L230 E231 R232 E236 M237 E238 | L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.16Å; E231-L234 PolarHBondContact O-N 3.17Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.01Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.91Å; L234-M237 PolarHBondContact O-N 3.31Å; L234-E238 WeakPolarHBondContact O-CB 3.5Å; L234-E238 WeakPolarHBondContact O-CG 3.5Å; L234-E238 PolarHBondContact O-N 3.44Å |
| 235 | C | 97.9 | Very high | 97.8 | Very high | 78 Ų | 78 | 100.2 Ų | 100.2 | 53% | 0.527 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 175.3 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | E231 R232 A239 | E231-C235 PolarHBondContact O-N 2.89Å; E231-C235 PolarHBondContact O-SG 3.17Å; E231-C235 VanDerWaalsContact O-SG 3.33Å; R232-C235 PolarHBondContact O-N 2.68Å; C235-A239 WeakPolarHBondContact O-CB 3.33Å; C235-A239 PolarHBondContact O-N 2.77Å |
| 236 | E | 98.1 | Very high | 97.7 | Very high | 95 Ų | 95 | 99.2 Ų | 99.2 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.1 | -74.3 | 170 | -178.4 | 0 | 0 | 112 | R232 Q233 L234 A239 C240 | R232-E236 IonicContact CZ-OE1 2.88Å; R232-E236 IonicContact CZ-OE2 3.62Å; R232-E236 IonicContact NH1-OE1 2.68Å; R232-E236 PolarHBondContact NH1-OE1 3.05Å; R232-E236 IonicContact NH1-OE2 2.67Å; R232-E236 PolarHBondContact NH1-OE2 2.8Å; R232-E236 WeakPolarHBondContact O-CG 2.97Å; R232-E236 PolarHBondContact O-N 3.42Å; Q233-E236 PolarHBondContact O-N 2.89Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.91Å; E236-A239 PolarHBondContact O-N 2.84Å; E236-C240 PolarHBondContact O-N 2.95Å; E236-C240 PolarHBondContact O-SG 2.84Å; E236-C240 VanDerWaalsContact O-SG 3.33Å |
| 237 | M | 96.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 97 Ų | 97 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 176.3 | -71.1 | -59.5 | -64.4 | 0 | 0 | 112.1 | Q233 L234 C240 R241 | Q233-M237 WeakPolarHBondContact O-CG 3.38Å; Q233-M237 PolarHBondContact O-N 2.8Å; L234-M237 PolarHBondContact O-N 3.31Å; M237-C240 PolarHBondContact O-N 2.96Å; M237-R241 WeakPolarHBondContact O-CB 3.47Å; M237-R241 PolarHBondContact O-N 3.49Å |
| 238 | E | 98.1 | Very high | 97.7 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.1 | -74.3 | 176.7 | 173.1 | 0 | 0 | 111.8 | L234 R241 L242 | L234-E238 WeakPolarHBondContact O-CB 3.5Å; L234-E238 WeakPolarHBondContact O-CG 3.5Å; L234-E238 PolarHBondContact O-N 3.44Å; E238-R241 WeakPolarHBondContact O-CB 3.36Å; E238-R241 PolarHBondContact O-N 2.88Å; E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 3.37Å |
| 239 | A | 97.9 | Very high | 97.6 | Very high | 59 Ų | 59 | 94.5 Ų | 94.5 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C235 E236 L242 R243 | C235-A239 WeakPolarHBondContact O-CB 3.33Å; C235-A239 PolarHBondContact O-N 2.77Å; E236-A239 PolarHBondContact O-N 2.84Å; A239-L242 PolarHBondContact O-N 3.34Å; A239-R243 PolarHBondContact O-N 3.01Å |
| 240 | C | 97.6 | Very high | 97.5 | Very high | 76 Ų | 76 | 93.6 Ų | 93.6 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.4 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | E236 M237 L242 R243 V244 | E236-C240 PolarHBondContact O-N 2.95Å; E236-C240 PolarHBondContact O-SG 2.84Å; E236-C240 VanDerWaalsContact O-SG 3.33Å; M237-C240 PolarHBondContact O-N 2.96Å; C240-L242 PolarHBondContact O-N 3.47Å; C240-R243 PolarHBondContact O-N 3.31Å; C240-V244 WeakPolarHBondContact O-CG2 3.36Å; C240-V244 PolarHBondContact O-N 3.2Å |
| 241 | R | 97.9 | Very high | 97.4 | Very high | 130 Ų | 130 | 94.3 Ų | 94.3 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 177.4 | -172.5 | -173.6 | 67.3 | 72.1 | 3 | 111.5 | M237 E238 R243 V244 Q245 | M237-R241 WeakPolarHBondContact O-CB 3.47Å; M237-R241 PolarHBondContact O-N 3.49Å; E238-R241 WeakPolarHBondContact O-CB 3.36Å; E238-R241 PolarHBondContact O-N 2.88Å; R241-R243 VanDerWaalsContact C-N 3.32Å; R241-R243 PolarHBondContact O-N 3.35Å; R241-V244 PolarHBondContact O-N 3.3Å; R241-Q245 WeakPolarHBondContact O-CG 3.48Å; R241-Q245 PolarHBondContact O-N 3.19Å |
| 242 | L | 97.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 94.8 Ų | 94.8 | 44% | 0.44 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.8 | -70.1 | 173.6 | 0 | 0 | 0 | 111.2 | E238 A239 C240 V244 Q245 E246 | E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 3.37Å; A239-L242 PolarHBondContact O-N 3.34Å; C240-L242 PolarHBondContact O-N 3.47Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.03Å; L242-Q245 WeakPolarHBondContact O-CB 3.47Å; L242-Q245 PolarHBondContact O-N 3.32Å; L242-E246 WeakPolarHBondContact O-CG 3.35Å; L242-E246 PolarHBondContact O-N 3.23Å |
| 243 | R | 97.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.3 | -176 | 57.3 | -177.1 | 156.3 | 9 | 112.7 | A239 C240 R241 E246 L247 E250 | A239-R243 PolarHBondContact O-N 3.01Å; C240-R243 PolarHBondContact O-N 3.31Å; R241-R243 VanDerWaalsContact C-N 3.32Å; R241-R243 PolarHBondContact O-N 3.35Å; R243-E246 WeakPolarHBondContact CD-OE2 3.4Å; R243-E246 IonicContact CZ-OE2 3.84Å; R243-E246 IonicContact NH1-OE2 3.07Å; R243-E246 PolarHBondContact NH1-OE2 3.17Å; R243-E246 PolarHBondContact O-N 3.3Å; R243-L247 HydrophobicContact CG-CD1 4.37Å; R243-L247 VanDerWaalsContact O-CG 3.3Å; R243-L247 WeakPolarHBondContact O-CG 3.25Å; R243-L247 PolarHBondContact O-N 3.03Å; R243-E250 IonicContact NH1-OE1 2.75Å |
| 244 | V | 97.3 | Very high | 97 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | C240 R241 L242 E246 L247 E248 | C240-V244 WeakPolarHBondContact O-CG2 3.36Å; C240-V244 PolarHBondContact O-N 3.2Å; R241-V244 PolarHBondContact O-N 3.3Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.03Å; V244-E246 VanDerWaalsContact C-N 3.33Å; V244-E246 PolarHBondContact O-N 2.68Å; V244-L247 PolarHBondContact O-N 3.43Å; V244-L247 VanDerWaalsContact O-N 3.13Å; V244-E248 HydrophobicContact CG1-CG 4.33Å; V244-E248 WeakPolarHBondContact CG1-OE1 3.45Å; V244-E248 WeakPolarHBondContact O-CG 3.2Å; V244-E248 PolarHBondContact O-N 3.08Å |
| 245 | Q | 97.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 177 | -69.9 | -178.7 | -28 | 0 | 0 | 112.8 | R241 L242 E248 A249 | R241-Q245 WeakPolarHBondContact O-CG 3.48Å; R241-Q245 PolarHBondContact O-N 3.19Å; L242-Q245 WeakPolarHBondContact O-CB 3.47Å; L242-Q245 PolarHBondContact O-N 3.32Å; Q245-E248 PolarHBondContact O-N 3.42Å; Q245-A249 PolarHBondContact O-N 2.97Å |
| 246 | E | 97.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 172.2 | -70.9 | 171.8 | 179.1 | 0 | 0 | 111.5 | L242 R243 V244 E248 A249 E250 | L242-E246 WeakPolarHBondContact O-CG 3.35Å; L242-E246 PolarHBondContact O-N 3.23Å; R243-E246 WeakPolarHBondContact CD-OE2 3.4Å; R243-E246 IonicContact CZ-OE2 3.84Å; R243-E246 IonicContact NH1-OE2 3.07Å; R243-E246 PolarHBondContact NH1-OE2 3.17Å; R243-E246 PolarHBondContact O-N 3.3Å; V244-E246 VanDerWaalsContact C-N 3.33Å; V244-E246 PolarHBondContact O-N 2.68Å; E246-E248 PolarHBondContact O-N 3.41Å; E246-A249 WeakPolarHBondContact O-CB 3.43Å; E246-A249 PolarHBondContact O-N 2.85Å; E246-E250 WeakPolarHBondContact O-CG 3.2Å; E246-E250 PolarHBondContact O-N 2.9Å |
| 247 | L | 97.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 178.9 | -71.1 | 171.9 | 0 | 0 | 0 | 112.3 | R243 V244 A249 E250 L251 | R243-L247 HydrophobicContact CG-CD1 4.37Å; R243-L247 VanDerWaalsContact O-CG 3.3Å; R243-L247 WeakPolarHBondContact O-CG 3.25Å; R243-L247 PolarHBondContact O-N 3.03Å; V244-L247 PolarHBondContact O-N 3.43Å; V244-L247 VanDerWaalsContact O-N 3.13Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-E250 PolarHBondContact O-N 3.05Å; L247-L251 WeakPolarHBondContact O-CB 3.15Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.27Å; L247-L251 PolarHBondContact O-N 3.34Å |
| 248 | E | 96.2 | Very high | 95.3 | Very high | 104 Ų | 104 | 99.3 Ų | 99.3 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.1 | -73.8 | 169.9 | 177.6 | 0 | 0 | 111.2 | V244 Q245 E246 L251 L252 | V244-E248 HydrophobicContact CG1-CG 4.33Å; V244-E248 WeakPolarHBondContact CG1-OE1 3.45Å; V244-E248 WeakPolarHBondContact O-CG 3.2Å; V244-E248 PolarHBondContact O-N 3.08Å; Q245-E248 PolarHBondContact O-N 3.42Å; E246-E248 PolarHBondContact O-N 3.41Å; E248-L251 PolarHBondContact O-N 3.03Å; E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.14Å; E248-L252 PolarHBondContact O-N 3.31Å |
| 249 | A | 96.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 96.6 Ų | 96.6 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q245 E246 L247 L251 L252 E253 | Q245-A249 PolarHBondContact O-N 2.97Å; E246-A249 WeakPolarHBondContact O-CB 3.43Å; E246-A249 PolarHBondContact O-N 2.85Å; L247-A249 VanDerWaalsContact C-N 3.33Å; A249-L251 VanDerWaalsContact C-N 3.32Å; A249-L251 PolarHBondContact O-N 3.47Å; A249-L252 PolarHBondContact O-N 3.42Å; A249-E253 WeakPolarHBondContact O-CG 3.5Å; A249-E253 PolarHBondContact O-N 2.95Å |
| 250 | E | 96.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 95.8 Ų | 95.8 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175 | -71.8 | 174.7 | -162.9 | 0 | 0 | 111.6 | R243 E246 L247 E253 L254 | R243-E250 IonicContact NH1-OE1 2.75Å; E246-E250 WeakPolarHBondContact O-CG 3.2Å; E246-E250 PolarHBondContact O-N 2.9Å; L247-E250 PolarHBondContact O-N 3.05Å; E250-E253 PolarHBondContact O-N 2.88Å; E250-L254 VanDerWaalsContact O-CG 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.22Å; E250-L254 PolarHBondContact O-N 3.17Å |
| 251 | L | 95.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 176.3 | -76 | 174.9 | 0 | 0 | 0 | 112.1 | L247 E248 A249 E253 L254 Q255 | L247-L251 WeakPolarHBondContact O-CB 3.15Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.27Å; L247-L251 PolarHBondContact O-N 3.34Å; E248-L251 PolarHBondContact O-N 3.03Å; A249-L251 VanDerWaalsContact C-N 3.32Å; A249-L251 PolarHBondContact O-N 3.47Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-L254 PolarHBondContact O-N 3Å; L251-Q255 WeakPolarHBondContact O-CB 3.12Å; L251-Q255 PolarHBondContact O-N 2.73Å |
| 252 | L | 94.9 | Very high | 91.9 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176 | -72 | 172.6 | 0 | 0 | 0 | 111.3 | E248 A249 Q255 Q256 | E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.14Å; E248-L252 PolarHBondContact O-N 3.31Å; A249-L252 PolarHBondContact O-N 3.42Å; L252-Q255 PolarHBondContact O-N 3.28Å; L252-Q256 VanDerWaalsContact O-CG 3.29Å; L252-Q256 WeakPolarHBondContact O-CG 3.33Å; L252-Q256 PolarHBondContact O-N 3.27Å |
| 253 | E | 95.4 | Very high | 90.5 | Very high | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.4 | -46.6 | 174.5 | -72 | -179 | -178.4 | 0 | 0 | 111.4 | A249 E250 L251 Q255 Q256 M257 | A249-E253 WeakPolarHBondContact O-CG 3.5Å; A249-E253 PolarHBondContact O-N 2.95Å; E250-E253 PolarHBondContact O-N 2.88Å; L251-E253 VanDerWaalsContact C-N 3.34Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 3.07Å; E253-Q256 PolarHBondContact O-N 3.17Å; E253-M257 WeakPolarHBondContact O-CB 3.44Å; E253-M257 VanDerWaalsContact O-CG 3.23Å; E253-M257 WeakPolarHBondContact O-CG 3.42Å; E253-M257 PolarHBondContact O-N 3.49Å |
| 254 | L | 94.3 | Very high | 89.3 | Confident | 117 Ų | 117 | 96.9 Ų | 96.9 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -37.5 | 177.2 | -72.1 | 174.6 | 0 | 0 | 0 | 112.5 | E250 L251 M257 K258 | E250-L254 VanDerWaalsContact O-CG 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.22Å; E250-L254 PolarHBondContact O-N 3.17Å; L251-L254 PolarHBondContact O-N 3Å; L254-M257 PolarHBondContact O-N 2.75Å; L254-K258 WeakPolarHBondContact O-CB 3.37Å; L254-K258 PolarHBondContact O-N 3.09Å |
| 255 | Q | 92.1 | Very high | 87.8 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 175.1 | -178.4 | 173.1 | -12.8 | 0 | 0 | 111.6 | L251 L252 E253 M257 K258 Q259 | L251-Q255 WeakPolarHBondContact O-CB 3.12Å; L251-Q255 PolarHBondContact O-N 2.73Å; L252-Q255 PolarHBondContact O-N 3.28Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 3.07Å; Q255-M257 VanDerWaalsContact C-N 3.34Å; Q255-M257 PolarHBondContact O-N 3.31Å; Q255-K258 WeakPolarHBondContact O-CB 3.48Å; Q255-K258 PolarHBondContact O-N 3.46Å; Q255-Q259 WeakPolarHBondContact O-CG 3.39Å; Q255-Q259 PolarHBondContact O-N 2.85Å |
| 256 | Q | 89.9 | Confident | 86 | Confident | 123 Ų | 123 | 96.5 Ų | 96.5 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 174.4 | -71 | 172.7 | 28.7 | 0 | 0 | 111.3 | L252 E253 K258 Q259 A260 | L252-Q256 VanDerWaalsContact O-CG 3.29Å; L252-Q256 WeakPolarHBondContact O-CG 3.33Å; L252-Q256 PolarHBondContact O-N 3.27Å; E253-Q256 PolarHBondContact O-N 3.17Å; Q256-K258 VanDerWaalsContact C-N 3.34Å; Q256-K258 PolarHBondContact O-N 2.99Å; Q256-Q259 PolarHBondContact O-N 2.89Å; Q256-A260 WeakPolarHBondContact O-CB 3.12Å; Q256-A260 PolarHBondContact O-N 2.99Å |
| 257 | M | 86.9 | Confident | 84.1 | Confident | 135 Ų | 135 | 96.1 Ų | 96.1 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -38.6 | 176.5 | -68.9 | -61.1 | -73.1 | 0 | 0 | 112 | E253 L254 Q255 K261 | E253-M257 WeakPolarHBondContact O-CB 3.44Å; E253-M257 VanDerWaalsContact O-CG 3.23Å; E253-M257 WeakPolarHBondContact O-CG 3.42Å; E253-M257 PolarHBondContact O-N 3.49Å; L254-M257 PolarHBondContact O-N 2.75Å; Q255-M257 VanDerWaalsContact C-N 3.34Å; Q255-M257 PolarHBondContact O-N 3.31Å; M257-K261 WeakPolarHBondContact O-CB 3.21Å; M257-K261 PolarHBondContact O-N 2.87Å |
| 258 | K | 85.8 | Confident | 82.1 | Confident | 153 Ų | 153 | 100.3 Ų | 100.3 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -46.9 | 173.3 | -177.8 | -175.2 | 174.5 | -173.2 | 0 | 111.1 | L254 Q255 Q256 K261 T262 | L254-K258 WeakPolarHBondContact O-CB 3.37Å; L254-K258 PolarHBondContact O-N 3.09Å; Q255-K258 WeakPolarHBondContact O-CB 3.48Å; Q255-K258 PolarHBondContact O-N 3.46Å; Q256-K258 VanDerWaalsContact C-N 3.34Å; Q256-K258 PolarHBondContact O-N 2.99Å; K258-K261 WeakPolarHBondContact O-CB 3.47Å; K258-K261 PolarHBondContact O-N 3.02Å; K258-T262 PolarHBondContact O-N 3.36Å; K258-T262 PolarHBondContact O-OG1 2.89Å |
| 259 | Q | 81.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 176.5 | -72.3 | 174.9 | -2.3 | 0 | 0 | 111.1 | Q255 Q256 K261 T262 Y263 | Q255-Q259 WeakPolarHBondContact O-CG 3.39Å; Q255-Q259 PolarHBondContact O-N 2.85Å; Q256-Q259 PolarHBondContact O-N 2.89Å; Q259-K261 VanDerWaalsContact C-N 3.28Å; Q259-K261 PolarHBondContact O-N 3.25Å; Q259-T262 WeakPolarHBondContact O-CA 3.3Å; Q259-T262 WeakPolarHBondContact O-CB 3.48Å; Q259-T262 PolarHBondContact O-N 3.43Å; Q259-Y263 VanDerWaalsContact C-CD2 3.49Å; Q259-Y263 HydrophobicContact CB-CD2 4.46Å; Q259-Y263 HydrophobicContact CB-CE2 4.11Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.38Å; Q259-Y263 PolarHBondContact O-N 3.04Å |
| 260 | A | 81.7 | Confident | 78.2 | Confident | 42 Ų | 42 | 103.7 Ų | 103.7 | 35% | 0.347 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.5 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q256 Y263 L264 | Q256-A260 WeakPolarHBondContact O-CB 3.12Å; Q256-A260 PolarHBondContact O-N 2.99Å; A260-Y263 PolarHBondContact O-N 2.72Å; A260-L264 WeakPolarHBondContact O-CB 3.29Å; A260-L264 VanDerWaalsContact O-CG 3.28Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 2.94Å |
| 261 | K | 80.6 | Confident | 76.4 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 59% | 0.591 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 174.3 | -171 | -176.2 | 177.1 | -180 | 0 | 112.1 | M257 K258 Q259 Y263 L264 L265 | M257-K261 WeakPolarHBondContact O-CB 3.21Å; M257-K261 PolarHBondContact O-N 2.87Å; K258-K261 WeakPolarHBondContact O-CB 3.47Å; K258-K261 PolarHBondContact O-N 3.02Å; Q259-K261 VanDerWaalsContact C-N 3.28Å; Q259-K261 PolarHBondContact O-N 3.25Å; K261-Y263 VanDerWaalsContact C-N 3.33Å; K261-L264 PolarHBondContact O-N 3.47Å; K261-L265 HydrophobicContact CG-CD1 3.82Å; K261-L265 WeakPolarHBondContact O-CB 3.13Å; K261-L265 PolarHBondContact O-N 3.41Å |
| 262 | T | 74.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 102 Ų | 102 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | K258 Q259 L264 G266 | K258-T262 PolarHBondContact O-N 3.36Å; K258-T262 PolarHBondContact O-OG1 2.89Å; Q259-T262 WeakPolarHBondContact O-CA 3.3Å; Q259-T262 WeakPolarHBondContact O-CB 3.48Å; Q259-T262 PolarHBondContact O-N 3.43Å; T262-L264 VanDerWaalsContact C-N 3.32Å; T262-L264 PolarHBondContact O-N 3.43Å; T262-G266 WeakPolarHBondContact O-CA 3.17Å; T262-G266 PolarHBondContact O-N 3.24Å |
| 263 | Y | 69.1 | Low | 72.9 | Confident | 85 Ų | 85 | 103.5 Ų | 103.5 | 33% | 0.333 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -31.4 | 176.3 | -69.4 | -64 | 0 | 0 | 0 | 113.7 | Q259 A260 K261 L271 A274 L275 | Q259-Y263 VanDerWaalsContact C-CD2 3.49Å; Q259-Y263 HydrophobicContact CB-CD2 4.46Å; Q259-Y263 HydrophobicContact CB-CE2 4.11Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.38Å; Q259-Y263 PolarHBondContact O-N 3.04Å; A260-Y263 PolarHBondContact O-N 2.72Å; K261-Y263 VanDerWaalsContact C-N 3.33Å; Y263-L271 HydrophobicContact CD1-CD1 3.56Å; Y263-L271 HydrophobicContact CE1-CD1 3.75Å; Y263-A274 HydrophobicContact CD1-CB 3.76Å; Y263-A274 HydrophobicContact CE1-CB 3.15Å; Y263-A274 HydrophobicContact CE2-CB 4.19Å; Y263-A274 PolarHBondContact OH-O 2.78Å; Y263-L275 PolarHBondContact OH-N 3.29Å |
| 264 | L | 71.8 | Confident | 71.2 | Confident | 146 Ų | 146 | 98.1 Ų | 98.1 | 76% | 0.764 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -91.6 | -22.5 | -177.3 | -68.5 | 173.2 | 0 | 0 | 0 | 114.4 | A260 K261 T262 | A260-L264 WeakPolarHBondContact O-CB 3.29Å; A260-L264 VanDerWaalsContact O-CG 3.28Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 2.94Å; K261-L264 PolarHBondContact O-N 3.47Å; T262-L264 VanDerWaalsContact C-N 3.32Å; T262-L264 PolarHBondContact O-N 3.43Å |
| 265 | L | 66.5 | Low | 69.5 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -115.5 | -6.9 | -178 | -80.5 | 91.6 | 0 | 0 | 0 | 114.5 | K261 | K261-L265 HydrophobicContact CG-CD1 3.82Å; K261-L265 WeakPolarHBondContact O-CB 3.13Å; K261-L265 PolarHBondContact O-N 3.41Å |
| 266 | G | 59 | Low | 68 | Low | 27 Ų | 27 | 99.4 Ų | 99.4 | 28% | 0.278 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -76 | 133.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T262 | T262-G266 WeakPolarHBondContact O-CA 3.17Å; T262-G266 PolarHBondContact O-N 3.24Å |
| 267 | P | 59 | Low | 66.5 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | trans | -54.5 | 149.6 | 161.9 | 21 | -30.6 | 0 | 0 | 0 | 109.9 | D269 H270 | P267-D269 PolarHBondContact O-N 3.39Å; P267-H270 PolarHBondContact O-N 2.89Å | ||
| 268 | D | 55.6 | Low | 65 | Low | 160 Ų | 160 | 91.9 Ų | 91.9 | 86% | 0.856 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -15.8 | -164.2 | -69 | -50 | 0 | 0 | 0 | 116.7 | ||
| 269 | D | 55.1 | Low | 63.3 | Low | 143 Ų | 143 | 91.3 Ų | 91.3 | 77% | 0.765 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19.1 | 177.9 | -63.5 | -33.4 | 0 | 0 | 0 | 114.9 | P267 | P267-D269 PolarHBondContact O-N 3.39Š|
| 270 | H | 55.4 | Low | 61.8 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -84.7 | -5.3 | -178.7 | -65 | -65.8 | 0 | 0 | 0 | 114.9 | P267 A272 E273 A274 | P267-H270 PolarHBondContact O-N 2.89Å; H270-A272 VanDerWaalsContact C-N 3.3Å; H270-A272 PolarHBondContact O-N 3.45Å; H270-E273 IonicContact CE1-OE2 2.84Å; H270-E273 IonicContact ND1-OE2 3.89Å; H270-E273 PolarHBondContact ND1-OE2 2.8Å; H270-E273 PolarHBondContact O-N 2.99Å; H270-A274 WeakPolarHBondContact O-CB 3.3Å; H270-A274 PolarHBondContact O-N 3.2Å |
| 271 | L | 57.4 | Low | 60.1 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 176.8 | -176.1 | 63.4 | 0 | 0 | 0 | 111.4 | Y263 L275 | Y263-L271 HydrophobicContact CD1-CD1 3.56Å; Y263-L271 HydrophobicContact CE1-CD1 3.75Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.31Å; L271-L275 PolarHBondContact O-N 3.21Å |
| 272 | A | 58.1 | Low | 57.9 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H270 L276 | H270-A272 VanDerWaalsContact C-N 3.3Å; H270-A272 PolarHBondContact O-N 3.45Å; A272-L276 WeakPolarHBondContact O-CD1 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.49Å; A272-L276 PolarHBondContact O-N 2.94Å |
| 273 | E | 59.8 | Low | 56.3 | Low | 130 Ų | 130 | 98.1 Ų | 98.1 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.7 | -37.4 | -179.4 | -150 | 171.2 | -162.4 | 0 | 0 | 111.6 | H270 L276 A277 | H270-E273 IonicContact CE1-OE2 2.84Å; H270-E273 IonicContact ND1-OE2 3.89Å; H270-E273 PolarHBondContact ND1-OE2 2.8Å; H270-E273 PolarHBondContact O-N 2.99Å; E273-L276 PolarHBondContact O-N 3.29Å; E273-A277 PolarHBondContact O-N 2.94Å |
| 274 | A | 60 | Low | 54.8 | Low | 11 Ų | 11 | 103 Ų | 103 | 9% | 0.091 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -71.9 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y263 H270 P278 | Y263-A274 HydrophobicContact CD1-CB 3.76Å; Y263-A274 HydrophobicContact CE1-CB 3.15Å; Y263-A274 HydrophobicContact CE2-CB 4.19Å; Y263-A274 PolarHBondContact OH-O 2.78Å; H270-A274 WeakPolarHBondContact O-CB 3.3Å; H270-A274 PolarHBondContact O-N 3.2Å; A274-P278 WeakPolarHBondContact O-CD 3.3Å |
| 275 | L | 59.1 | Low | 53 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.7 | -21.7 | 172.8 | -70.2 | 172.3 | 0 | 0 | 0 | 113.5 | Y263 L271 | Y263-L275 PolarHBondContact OH-N 3.29Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.31Å; L271-L275 PolarHBondContact O-N 3.21Å |
| 276 | L | 59.6 | Low | 51.5 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.7 | -19.6 | 177.5 | -71.5 | 168.1 | 0 | 0 | 0 | 113.4 | A272 E273 L279 T280 | A272-L276 WeakPolarHBondContact O-CD1 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.49Å; A272-L276 PolarHBondContact O-N 2.94Å; E273-L276 PolarHBondContact O-N 3.29Å; L276-L279 PolarHBondContact O-N 2.8Å; L276-T280 PolarHBondContact O-N 3.23Å; L276-T280 PolarHBondContact O-OG1 3.4Å |
| 277 | A | 59.6 | Low | 50.2 | Low | 35 Ų | 35 | 107.6 Ų | 107.6 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E273 L279 T280 Q281 | E273-A277 PolarHBondContact O-N 2.94Å; A277-L279 PolarHBondContact O-N 3.47Å; A277-T280 WeakPolarHBondContact CA-OG1 3.24Å; A277-T280 PolarHBondContact O-N 2.84Å; A277-T280 PolarHBondContact O-OG1 2.78Å; A277-Q281 PolarHBondContact O-N 3.24Å |
| 278 | P | 55 | Low | 49.5 | Very low | 64 Ų | 64 | 108.9 Ų | 108.9 | 42% | 0.416 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.6 | -20.5 | 175.5 | -22.8 | 34.5 | 0 | 0 | 0 | 114.3 | A274 | A274-P278 WeakPolarHBondContact O-CD 3.3Å |
| 279 | L | 49.3 | Very low | 48.5 | Very low | 141 Ų | 141 | 109.4 Ų | 109.4 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.9 | -20.3 | 177.8 | -68.8 | 168.5 | 0 | 0 | 0 | 112.7 | L276 A277 | L276-L279 PolarHBondContact O-N 2.8Å; A277-L279 PolarHBondContact O-N 3.47Å |
| 280 | T | 50.2 | Low | 47.9 | Very low | 118 Ų | 118 | 108 Ų | 108 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -93.8 | -16 | 175.6 | 39.8 | 0 | 0 | 0 | 0 | 112.8 | L276 A277 | L276-T280 PolarHBondContact O-N 3.23Å; L276-T280 PolarHBondContact O-OG1 3.4Å; A277-T280 WeakPolarHBondContact CA-OG1 3.24Å; A277-T280 PolarHBondContact O-N 2.84Å; A277-T280 PolarHBondContact O-OG1 2.78Å |
| 281 | Q | 47.5 | Very low | 46.6 | Very low | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | trans | -105.5 | 60.4 | 169.7 | -65.4 | -176 | -17.4 | 0 | 0 | 110.5 | A277 | A277-Q281 PolarHBondContact O-N 3.24Š| ||
| 282 | A | 34.3 | Very low | 45.4 | Very low | 72 Ų | 72 | 115.1 Ų | 115.1 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | trans | -63.4 | 138.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | E284 | A282-E284 PolarHBondContact O-N 2.7Š| ||
| 283 | P | 40.9 | Very low | 44.1 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -63.4 | 107.1 | 174 | 3.2 | 7.3 | 0 | 0 | 0 | 106.9 | A285 | P283-A285 PolarHBondContact O-N 2.87Å; P283-A285 VanDerWaalsContact O-N 3.08Å | ||
| 284 | E | 36.9 | Very low | 43 | Very low | 186 Ų | 186 | 116.9 Ų | 116.9 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | -56.9 | 115.8 | 157.3 | -68.6 | -145.4 | 150.9 | 0 | 0 | 105.5 | A282 D286 | A282-E284 PolarHBondContact O-N 2.7Å; E284-D286 PolarHBondContact O-N 2.86Å; E284-D286 VanDerWaalsContact O-N 3.12Å | ||
| 285 | A | 34.3 | Very low | 41.9 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | P283 D287 | P283-A285 PolarHBondContact O-N 2.87Å; P283-A285 VanDerWaalsContact O-N 3.08Å; A285-D287 PolarHBondContact O-N 3.33Å; A285-D287 VanDerWaalsContact O-N 3.08Å |
| 286 | D | 35.2 | Very low | 40.9 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 116.9 | 167 | -85.7 | -44.9 | 0 | 0 | 0 | 108.7 | E284 P288 | E284-D286 PolarHBondContact O-N 2.86Å; E284-D286 VanDerWaalsContact O-N 3.12Å; D286-P288 WeakPolarHBondContact O-CD 3.43Å |
| 287 | D | 31.8 | Very low | 39.6 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -47 | 124.2 | 159.1 | -91.6 | -46.7 | 0 | 0 | 0 | 109.8 | A285 | A285-D287 PolarHBondContact O-N 3.33Å; A285-D287 VanDerWaalsContact O-N 3.08Å |
| 288 | P | 44.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -99.4 | 100.3 | 161.2 | 32.6 | -21 | 0 | 0 | 0 | 108.7 | D286 | D286-P288 WeakPolarHBondContact O-CD 3.43Š| ||
| 289 | Q | 34.2 | Very low | 37.7 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -153.6 | 156.2 | 158.3 | -93.6 | -153.5 | -84.7 | 0 | 0 | 111.8 | ||||
| 290 | P | 43.3 | Very low | 36.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -135.3 | 162.3 | -41.7 | 34.7 | -18.1 | 0 | 0 | 0 | 111.6 | ||||
| 291 | G | 27.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | 146.5 | 115.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 292 | R | 31.1 | Very low | 34.6 | Very low | 255 Ų | 255 | 127.5 Ų | 127.5 | 96% | 0.962 | 77% | 0.77 | S | S | * | * | trans | 71.1 | 108.8 | 170 | -71.7 | 179.5 | 169.3 | -100.3 | -2.9 | 115 | ||||
| 293 | G | 32.5 | Very low | 34.3 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | cis | 122.8 | 123.4 | 18.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | D | 36.4 | Very low | 33.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 137.7 | 158 | -58.3 | -9 | 0 | 0 | 0 | 117.1 | ||||
| 295 | D | 36.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | cis | -172.2 | 152.6 | -9.1 | -177.3 | 31.1 | 0 | 0 | 0 | 107.3 | ||||
| 296 | S | 38.7 | Very low | 34.1 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | 53.6 | 138.9 | 147.4 | 60.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 297 | G | 32.3 | Very low | 33.8 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 169 | 28.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 298 | T | 35.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 48.8 | 129.3 | 133.6 | -12.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 299 | Q | 37.7 | Very low | 33.7 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 114.3 | 115.6 | 136.7 | -63.7 | -164.7 | -7.2 | 0 | 0 | 120.6 | ||||
| 300 | D | 27.1 | Very low | 33.5 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 60.6 | 125.6 | 126.1 | -63.8 | -29.7 | 0 | 0 | 0 | 121.9 | |||||
| 301 | G | 28.1 | Very low | 32.9 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 144.8 | 94.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 302 | V | 26.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 58.2 | 117.7 | 140 | -170.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 303 | S | 29.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | 168.3 | 123.2 | 117.8 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 304 | S | 28.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -86.4 | -177.8 | 148.1 | -61.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 305 | P | 50.2 | Low | 33.7 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -122.1 | 155.2 | -58.2 | 33.6 | -19 | 0 | 0 | 0 | 110.5 | |||||
| 306 | A | 28.3 | Very low | 33.5 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 136 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 307 | A | 28.9 | Very low | 33.5 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -90 | 147.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 308 | S | 32.2 | Very low | 33.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 76.7 | 162.3 | 138.1 | -62.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 309 | P | 43.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -139.9 | 162.6 | -39.9 | 36.1 | -19.8 | 0 | 0 | 0 | 113.3 | ||||
| 310 | G | 28.3 | Very low | 34.5 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 125.8 | 88.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 311 | H | 32.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 124.6 Ų | 124.6 | 89% | 0.889 | 79% | 0.786 | S | S | * | * | -154.5 | 137.9 | 120.5 | -156.7 | -94.1 | 0 | 0 | 0 | 109.8 | |||||
| 312 | V | 34.5 | Very low | 36.1 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | trans | -104.9 | 156.6 | -165.1 | -173.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 313 | V | 32.3 | Very low | 37 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 131.1 | 160.3 | -130 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 314 | R | 36.8 | Very low | 37.7 | Very low | 234 Ų | 234 | 126.4 Ų | 126.4 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | cis | -148.3 | 124.1 | 29.4 | -68.2 | 166.4 | -171.4 | -174.9 | 4.1 | 111 | ||||
| 315 | K | 39 | Very low | 38.6 | Very low | 204 Ų | 204 | 127.6 Ų | 127.6 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -90.6 | 114.5 | 159 | -81.5 | -177.6 | 173 | 179.9 | 0 | 107.9 | ||||
| 316 | S | 34.4 | Very low | 38.7 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -79.5 | 123.1 | 167.8 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 317 | C | 38.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -104.3 | 119.3 | 172.8 | -66.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 318 | S | 40.6 | Very low | 40.2 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -156.8 | 103.6 | 159.8 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 319 | D | 35.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 179.6 | 42.4 | 135.4 | -95.8 | -8 | 0 | 0 | 0 | 113.8 | A321 | D319-A321 PolarHBondContact O-N 3.31Å; D319-A321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | T | 50.1 | Low | 40.7 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 55.4 | 161.1 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 321 | A | 43.7 | Very low | 41.5 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 55% | 0.554 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -6.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D319 | D319-A321 PolarHBondContact O-N 3.31Å; D319-A321 VanDerWaalsContact O-N 3.12Å |
| 322 | L | 44.7 | Very low | 41.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 67% | 0.665 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -105.5 | -5.4 | -175.8 | -64 | -179.2 | 0 | 0 | 0 | 115.6 | ||
| 323 | N | 44.6 | Very low | 42.3 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -4.5 | 179 | -78.8 | -20.4 | 0 | 0 | 0 | 114.4 | ||
| 324 | A | 44.8 | Very low | 42.8 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 325 | I | 48.4 | Very low | 42.8 | Very low | 140 Ų | 140 | 133 Ų | 133 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -98 | -14 | -177.8 | -55.6 | 175.2 | 0 | 0 | 0 | 112 | ||
| 326 | V | 52 | Low | 43.3 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -87.6 | -11.9 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 327 | A | 45.6 | Very low | 44 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -112.3 | 61.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 328 | K | 43.3 | Very low | 44.4 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -157.6 | 128.4 | 155.5 | -146.5 | 139.9 | 177.4 | 176.9 | 0 | 113.9 | ||
| 329 | D | 35.1 | Very low | 44.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 85.7 | 112.3 | 162.5 | -65.4 | -16.8 | 0 | 0 | 0 | 121.3 | ||||
| 330 | P | 49.2 | Very low | 45.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -99 | 72.7 | 167 | 38.2 | -28.2 | 0 | 0 | 0 | 110.5 | ||||
| 331 | A | 46.8 | Very low | 45.1 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -172.4 | 92.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 332 | S | 31.5 | Very low | 45.2 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -157.8 | 113.6 | 143.5 | -163.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 333 | R | 51.1 | Low | 45.4 | Very low | 237 Ų | 237 | 128 Ų | 128 | 89% | 0.894 | 74% | 0.739 | S | S | * | * | trans | -75.3 | 148 | 167.7 | -65.6 | 176.3 | -177.9 | 170.1 | 0.6 | 107.6 | ||||
| 334 | H | 43.9 | Very low | 45.5 | Very low | 194 Ų | 194 | 124.2 Ų | 124.2 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | 87.3 | 82.5 | 160.6 | -129.4 | 70.9 | 0 | 0 | 0 | 117.4 | ||||
| 335 | A | 35.2 | Very low | 45.6 | Very low | 94 Ų | 94 | 125 Ų | 125 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | trans | -162.1 | 80.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 336 | G | 51 | Low | 45.7 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | trans | -69.8 | 149.5 | 162 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 337 | N | 47.7 | Very low | 45.8 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 100.6 | 22.6 | 170.3 | -56 | -48.8 | 0 | 0 | 0 | 119.8 | ||
| 338 | L | 48.5 | Very low | 46.4 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -129.3 | 12.7 | 165.9 | -89.1 | 144.4 | 0 | 0 | 0 | 114.7 | ||
| 339 | T | 47.2 | Very low | 46.8 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -99.5 | -3.2 | -174.7 | -15.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 340 | L | 48.3 | Very low | 47.8 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -88 | -28.7 | -178.8 | -66.4 | 177.8 | 0 | 0 | 0 | 113.4 | ||
| 341 | H | 44.9 | Very low | 48.8 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.7 | -22.6 | 175.9 | -91.5 | -81.2 | 0 | 0 | 0 | 113.9 | N343 S344 V345 | H341-N343 VanDerWaalsContact C-N 3.31Å; H341-N343 PolarHBondContact O-N 2.86Å; H341-S344 PolarHBondContact O-OG 3.18Å; H341-V345 VanDerWaalsContact O-CG2 3.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.33Å; H341-V345 PolarHBondContact O-N 3.41Å |
| 342 | A | 45.3 | Very low | 50.1 | Low | 39 Ų | 39 | 123.5 Ų | 123.5 | 32% | 0.322 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -76 | -17.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R346 | A342-R346 WeakPolarHBondContact O-CG 3.35Å; A342-R346 PolarHBondContact O-NE 2.86Å |
| 343 | N | 48.3 | Very low | 52.6 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -93.3 | -28.8 | 177.4 | -70.9 | -10 | 0 | 0 | 0 | 112.3 | H341 K347 | H341-N343 VanDerWaalsContact C-N 3.31Å; H341-N343 PolarHBondContact O-N 2.86Å; N343-K347 WeakPolarHBondContact O-CG 3.42Å |
| 344 | S | 48.1 | Very low | 54.1 | Low | 63 Ų | 63 | 119.8 Ų | 119.8 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76 | -35.1 | 173.6 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | H341 K347 | H341-S344 PolarHBondContact O-OG 3.18Å; S344-K347 PolarHBondContact O-N 2.8Å |
| 345 | V | 46.1 | Very low | 56.2 | Low | 105 Ų | 105 | 115.2 Ų | 115.2 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -31.7 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | H341 K347 R348 | H341-V345 VanDerWaalsContact O-CG2 3.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.33Å; H341-V345 PolarHBondContact O-N 3.41Å; V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.4Å; V345-R348 PolarHBondContact O-N 2.83Å |
| 346 | R | 51.8 | Low | 58.8 | Low | 158 Ų | 158 | 114.5 Ų | 114.5 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -29.3 | 174.3 | -87.8 | -176.2 | -95.9 | -127.1 | 4.8 | 113.7 | A342 R348 G349 M350 | A342-R346 WeakPolarHBondContact O-CG 3.35Å; A342-R346 PolarHBondContact O-NE 2.86Å; R346-R348 PolarHBondContact O-N 3.25Å; R346-G349 PolarHBondContact O-N 3.32Å; R346-M350 WeakPolarHBondContact O-CG 3.48Å; R346-M350 VanDerWaalsContact O-SD 3.34Å |
| 347 | K | 53.4 | Low | 60.7 | Low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -68.9 | -18 | 176.2 | -70.4 | -176.4 | 178 | -161.9 | 0 | 114.2 | N343 S344 V345 G349 M350 | N343-K347 WeakPolarHBondContact O-CG 3.42Å; S344-K347 PolarHBondContact O-N 2.8Å; V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.4Å; K347-G349 VanDerWaalsContact C-N 3.31Å; K347-M350 HydrophobicContact CG-SD 4.45Å |
| 348 | R | 57.1 | Low | 62.7 | Low | 242 Ų | 242 | 112.4 Ų | 112.4 | 91% | 0.913 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -85 | -4.3 | 179.2 | -146.5 | 172.9 | -169.8 | 170.5 | 1.8 | 113.7 | V345 R346 | V345-R348 PolarHBondContact O-N 2.83Å; R346-R348 PolarHBondContact O-N 3.25Å |
| 349 | G | 52.4 | Low | 64.7 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 75% | 0.753 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -132.3 | 18.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R346 K347 | R346-G349 PolarHBondContact O-N 3.32Å; K347-G349 VanDerWaalsContact C-N 3.31Å |
| 350 | M | 55.9 | Low | 66.8 | Low | 48 Ų | 48 | 112.4 Ų | 112.4 | 24% | 0.236 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -91.9 | 129.3 | 173.4 | -74.7 | 160.8 | 74.6 | 0 | 0 | 108.5 | R346 K347 R354 E358 | R346-M350 WeakPolarHBondContact O-CG 3.48Å; R346-M350 VanDerWaalsContact O-SD 3.34Å; K347-M350 HydrophobicContact CG-SD 4.45Å; M350-R354 HydrophobicContact CE-CG 4.06Å; M350-E358 WeakPolarHBondContact CE-OE1 3.43Å; M350-E358 WeakPolarHBondContact CE-OE2 3.23Å |
| 351 | S | 70.6 | Confident | 68.9 | Low | 72 Ų | 72 | 110.4 Ų | 110.4 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | trans | -54.4 | 139.8 | 174 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | L353 R354 E355 | S351-L353 PolarHBondContact O-N 3.48Å; S351-L353 PolarHBondContact OG-N 3.49Å; S351-R354 WeakPolarHBondContact O-CA 3.24Å; S351-R354 PolarHBondContact O-N 2.81Å; S351-E355 PolarHBondContact O-N 3.08Å | ||
| 352 | I | 74.3 | Confident | 71.2 | Confident | 130 Ų | 130 | 105 Ų | 105 | 67% | 0.667 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.3 | -34.7 | 176.6 | -63.5 | 167.2 | 0 | 0 | 0 | 110.7 | R354 E355 V356 | I352-R354 PolarHBondContact O-N 3.03Å; I352-E355 PolarHBondContact O-N 2.93Å; I352-V356 HydrophobicContact CG2-CG2 4.21Å; I352-V356 WeakPolarHBondContact O-CB 3.38Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.27Å |
| 353 | L | 82.8 | Confident | 73.6 | Confident | 125 Ų | 125 | 107.3 Ų | 107.3 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 174.7 | -78.4 | 112.6 | 0 | 0 | 0 | 113.3 | S351 E355 V356 D357 | S351-L353 PolarHBondContact O-N 3.48Å; S351-L353 PolarHBondContact OG-N 3.49Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-V356 PolarHBondContact O-N 3.31Å; L353-D357 VanDerWaalsContact O-CB 3.32Å; L353-D357 WeakPolarHBondContact O-CB 3.27Å; L353-D357 PolarHBondContact O-N 3.5Å |
| 354 | R | 84.1 | Confident | 75.6 | Confident | 154 Ų | 154 | 105.9 Ų | 105.9 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.2 | -34.1 | 178.1 | -176.3 | 179.1 | -89.2 | 179.6 | -8.6 | 111.5 | M350 S351 I352 E358 | M350-R354 HydrophobicContact CE-CG 4.06Å; S351-R354 WeakPolarHBondContact O-CA 3.24Å; S351-R354 PolarHBondContact O-N 2.81Å; I352-R354 PolarHBondContact O-N 3.03Å; R354-E358 WeakPolarHBondContact O-CB 3.38Å; R354-E358 WeakPolarHBondContact O-CG 3.28Å; R354-E358 PolarHBondContact O-N 3.37Å |
| 355 | E | 87.8 | Confident | 77.7 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 173.7 | -176 | 171.3 | -170.1 | 0 | 0 | 111.3 | S351 I352 L353 D357 E358 Q359 | S351-E355 PolarHBondContact O-N 3.08Å; I352-E355 PolarHBondContact O-N 2.93Å; L353-E355 VanDerWaalsContact C-N 3.35Å; E355-D357 VanDerWaalsContact C-N 3.34Å; E355-E358 PolarHBondContact O-N 2.95Å; E355-Q359 WeakPolarHBondContact O-CB 3.34Å; E355-Q359 VanDerWaalsContact O-CG 3.25Å; E355-Q359 WeakPolarHBondContact O-CG 3.49Å; E355-Q359 PolarHBondContact O-N 3.3Å |
| 356 | V | 88.8 | Confident | 80 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 47% | 0.473 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 173.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | I352 L353 Q359 Y360 | I352-V356 HydrophobicContact CG2-CG2 4.21Å; I352-V356 WeakPolarHBondContact O-CB 3.38Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.27Å; L353-V356 PolarHBondContact O-N 3.31Å; V356-Q359 CarbonylContact O-C 3.41Å; V356-Q359 PolarHBondContact O-N 2.91Å; V356-Y360 WeakPolarHBondContact O-CB 3.5Å; V356-Y360 PolarHBondContact O-N 2.89Å |
| 357 | D | 90.6 | Very high | 81.9 | Confident | 82 Ų | 82 | 109.7 Ų | 109.7 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 174.6 | -74.4 | -29.1 | 0 | 0 | 0 | 110.7 | L353 E355 Q359 Y360 H361 | L353-D357 VanDerWaalsContact O-CB 3.32Å; L353-D357 WeakPolarHBondContact O-CB 3.27Å; L353-D357 PolarHBondContact O-N 3.5Å; E355-D357 VanDerWaalsContact C-N 3.34Å; D357-Q359 VanDerWaalsContact C-N 3.3Å; D357-Q359 PolarHBondContact O-N 2.89Å; D357-Y360 PolarHBondContact O-N 3.36Å; D357-H361 WeakPolarHBondContact O-CB 3.32Å; D357-H361 PolarHBondContact O-N 3.13Å; D357-H361 PolarHBondContact O-ND1 2.75Å |
| 358 | E | 90 | Very high | 83.8 | Confident | 95 Ų | 95 | 108 Ų | 108 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.3 | -83.1 | 170.2 | -174 | 0 | 0 | 111.7 | M350 R354 E355 A362 | M350-E358 WeakPolarHBondContact CE-OE1 3.43Å; M350-E358 WeakPolarHBondContact CE-OE2 3.23Å; R354-E358 WeakPolarHBondContact O-CB 3.38Å; R354-E358 WeakPolarHBondContact O-CG 3.28Å; R354-E358 PolarHBondContact O-N 3.37Å; E355-E358 PolarHBondContact O-N 2.95Å; E358-A362 WeakPolarHBondContact O-CB 3.25Å; E358-A362 PolarHBondContact O-N 3.09Å |
| 359 | Q | 91.1 | Very high | 85.4 | Confident | 117 Ų | 117 | 101.6 Ų | 101.6 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 174.2 | -72 | -179.7 | 10.3 | 0 | 0 | 112 | E355 V356 D357 L363 | E355-Q359 WeakPolarHBondContact O-CB 3.34Å; E355-Q359 VanDerWaalsContact O-CG 3.25Å; E355-Q359 WeakPolarHBondContact O-CG 3.49Å; E355-Q359 PolarHBondContact O-N 3.3Å; V356-Q359 CarbonylContact O-C 3.41Å; V356-Q359 PolarHBondContact O-N 2.91Å; D357-Q359 VanDerWaalsContact C-N 3.3Å; D357-Q359 PolarHBondContact O-N 2.89Å; Q359-L363 VanDerWaalsContact O-CB 3.23Å; Q359-L363 WeakPolarHBondContact O-CB 3.46Å; Q359-L363 PolarHBondContact O-N 3.31Å |
| 360 | Y | 91.9 | Very high | 87.1 | Confident | 137 Ų | 137 | 103 Ų | 103 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 175.9 | -178.3 | -104.7 | 0 | 0 | 0 | 111.6 | V356 D357 L363 L364 | V356-Y360 WeakPolarHBondContact O-CB 3.5Å; V356-Y360 PolarHBondContact O-N 2.89Å; D357-Y360 PolarHBondContact O-N 3.36Å; Y360-L363 PolarHBondContact O-N 3.22Å; Y360-L364 HydrophobicContact CD1-CD1 3.59Å; Y360-L364 HydrophobicContact CD1-CG 4.47Å; Y360-L364 HydrophobicContact CE1-CD1 3.23Å; Y360-L364 HydrophobicContact CE1-CG 4.13Å; Y360-L364 HydrophobicContact CG-CD1 4.44Å; Y360-L364 WeakPolarHBondContact O-CB 3.43Å; Y360-L364 PolarHBondContact O-N 2.79Å |
| 361 | H | 92.7 | Very high | 88.4 | Confident | 107 Ų | 107 | 105 Ų | 105 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 175.8 | -71.9 | 81.4 | 0 | 0 | 0 | 111.4 | D357 L363 L364 E365 | D357-H361 WeakPolarHBondContact O-CB 3.32Å; D357-H361 PolarHBondContact O-N 3.13Å; D357-H361 PolarHBondContact O-ND1 2.75Å; H361-L363 VanDerWaalsContact C-N 3.29Å; H361-L363 PolarHBondContact O-N 3.34Å; H361-L364 WeakPolarHBondContact O-CB 3.4Å; H361-L364 PolarHBondContact O-N 2.77Å; H361-E365 WeakPolarHBondContact O-CG 3.38Å; H361-E365 PolarHBondContact O-N 2.71Å |
| 362 | A | 93.3 | Very high | 88.9 | Confident | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E358 K366 | E358-A362 WeakPolarHBondContact O-CB 3.25Å; E358-A362 PolarHBondContact O-N 3.09Å; A362-K366 WeakPolarHBondContact O-CG 3.21Å; A362-K366 PolarHBondContact O-N 3.48Å; A362-K366 VanDerWaalsContact O-N 3.13Å |
| 363 | L | 94.4 | Very high | 89.3 | Confident | 87 Ų | 87 | 103.4 Ų | 103.4 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 173.5 | -176 | 63.1 | 0 | 0 | 0 | 111.1 | Q359 Y360 H361 K366 Y367 | Q359-L363 VanDerWaalsContact O-CB 3.23Å; Q359-L363 WeakPolarHBondContact O-CB 3.46Å; Q359-L363 PolarHBondContact O-N 3.31Å; Y360-L363 PolarHBondContact O-N 3.22Å; H361-L363 VanDerWaalsContact C-N 3.29Å; H361-L363 PolarHBondContact O-N 3.34Å; L363-K366 WeakPolarHBondContact O-CB 3.36Å; L363-K366 PolarHBondContact O-N 2.94Å; L363-Y367 HydrophobicContact CD1-CD2 4.03Å; L363-Y367 HydrophobicContact CD1-CE2 3.67Å; L363-Y367 HydrophobicContact CD2-CE2 4.12Å; L363-Y367 HydrophobicContact CG-CD2 3.83Å; L363-Y367 HydrophobicContact CG-CE2 3.67Å; L363-Y367 VanDerWaalsContact O-CD2 3.24Å; L363-Y367 WeakPolarHBondContact O-CD2 3.33Å; L363-Y367 PolarHBondContact O-N 3.45Å |
| 364 | L | 91 | Very high | 88.9 | Confident | 61 Ų | 61 | 101.1 Ų | 101.1 | 32% | 0.319 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 172.3 | -89.6 | 163.9 | 0 | 0 | 0 | 111.4 | Y360 H361 K366 Y367 E368 | Y360-L364 HydrophobicContact CD1-CD1 3.59Å; Y360-L364 HydrophobicContact CD1-CG 4.47Å; Y360-L364 HydrophobicContact CE1-CD1 3.23Å; Y360-L364 HydrophobicContact CE1-CG 4.13Å; Y360-L364 HydrophobicContact CG-CD1 4.44Å; Y360-L364 WeakPolarHBondContact O-CB 3.43Å; Y360-L364 PolarHBondContact O-N 2.79Å; H361-L364 WeakPolarHBondContact O-CB 3.4Å; H361-L364 PolarHBondContact O-N 2.77Å; L364-K366 VanDerWaalsContact C-N 3.3Å; L364-K366 PolarHBondContact O-N 3.49Å; L364-Y367 CarbonylContact O-C 3.59Å; L364-Y367 PolarHBondContact O-N 3.15Å; L364-Y367 VanDerWaalsContact O-N 3.09Å; L364-E368 WeakPolarHBondContact O-CB 3.4Å; L364-E368 WeakPolarHBondContact O-CG 3.4Å; L364-E368 PolarHBondContact O-N 3.36Å |
| 365 | E | 92.8 | Very high | 88.6 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.2 | -42.1 | 176.1 | -75.2 | 175.8 | 176.2 | 0 | 0 | 111.5 | H361 E368 E369 | H361-E365 WeakPolarHBondContact O-CG 3.38Å; H361-E365 PolarHBondContact O-N 2.71Å; E365-E368 PolarHBondContact O-N 2.83Å; E365-E369 WeakPolarHBondContact O-CB 3.4Å; E365-E369 WeakPolarHBondContact O-CG 3.38Å; E365-E369 PolarHBondContact O-N 3.43Å |
| 366 | K | 93.3 | Very high | 87.5 | Confident | 139 Ų | 139 | 104.3 Ų | 104.3 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 174.5 | -74.7 | 176.6 | -177 | 176.2 | 0 | 112.8 | A362 L363 L364 L370 | A362-K366 WeakPolarHBondContact O-CG 3.21Å; A362-K366 PolarHBondContact O-N 3.48Å; A362-K366 VanDerWaalsContact O-N 3.13Å; L363-K366 WeakPolarHBondContact O-CB 3.36Å; L363-K366 PolarHBondContact O-N 2.94Å; L364-K366 VanDerWaalsContact C-N 3.3Å; L364-K366 PolarHBondContact O-N 3.49Å; K366-L370 WeakPolarHBondContact O-CB 3.44Å; K366-L370 PolarHBondContact O-N 3.25Å |
| 367 | Y | 92.3 | Very high | 85.7 | Confident | 143 Ų | 143 | 108 Ų | 108 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 174.2 | -86.7 | -70.2 | 0 | 0 | 0 | 111.6 | L363 L364 L370 L371 | L363-Y367 HydrophobicContact CD1-CD2 4.03Å; L363-Y367 HydrophobicContact CD1-CE2 3.67Å; L363-Y367 HydrophobicContact CD2-CE2 4.12Å; L363-Y367 HydrophobicContact CG-CD2 3.83Å; L363-Y367 HydrophobicContact CG-CE2 3.67Å; L363-Y367 VanDerWaalsContact O-CD2 3.24Å; L363-Y367 WeakPolarHBondContact O-CD2 3.33Å; L363-Y367 PolarHBondContact O-N 3.45Å; L364-Y367 CarbonylContact O-C 3.59Å; L364-Y367 PolarHBondContact O-N 3.15Å; L364-Y367 VanDerWaalsContact O-N 3.09Å; Y367-L370 PolarHBondContact O-N 2.9Å; Y367-L371 WeakPolarHBondContact O-CB 3.34Å; Y367-L371 VanDerWaalsContact O-CG 3.27Å; Y367-L371 WeakPolarHBondContact O-CG 3.41Å; Y367-L371 PolarHBondContact O-N 3.03Å |
| 368 | E | 92.4 | Very high | 83.8 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 175.2 | -74.1 | -176.4 | 174.3 | 0 | 0 | 111.8 | L364 E365 L370 S372 | L364-E368 WeakPolarHBondContact O-CB 3.4Å; L364-E368 WeakPolarHBondContact O-CG 3.4Å; L364-E368 PolarHBondContact O-N 3.36Å; E365-E368 PolarHBondContact O-N 2.83Å; E368-L370 VanDerWaalsContact C-N 3.35Å; E368-S372 WeakPolarHBondContact O-CB 3.36Å; E368-S372 PolarHBondContact O-N 2.96Å; E368-S372 PolarHBondContact O-OG 2.77Å |
| 369 | E | 90.3 | Very high | 81.8 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 170.2 | -81.4 | -173.9 | -165.3 | 0 | 0 | 111.7 | E365 S372 K373 | E365-E369 WeakPolarHBondContact O-CB 3.4Å; E365-E369 WeakPolarHBondContact O-CG 3.38Å; E365-E369 PolarHBondContact O-N 3.43Å; E369-S372 CarbonylContact O-C 3.6Å; E369-S372 PolarHBondContact O-N 3.26Å; E369-K373 WeakPolarHBondContact O-CB 3.45Å; E369-K373 VanDerWaalsContact O-CG 3.22Å; E369-K373 WeakPolarHBondContact O-CG 3.49Å; E369-K373 PolarHBondContact O-N 2.86Å; E369-K373 IonicContact OE2-NZ 3.51Å |
| 370 | L | 89.7 | Confident | 79.7 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70 | -41.8 | 179.7 | -155.6 | 142.1 | 0 | 0 | 0 | 110.9 | K366 Y367 E368 S372 K373 C374 | K366-L370 WeakPolarHBondContact O-CB 3.44Å; K366-L370 PolarHBondContact O-N 3.25Å; Y367-L370 PolarHBondContact O-N 2.9Å; E368-L370 VanDerWaalsContact C-N 3.35Å; L370-S372 VanDerWaalsContact C-N 3.31Å; L370-S372 PolarHBondContact O-N 2.74Å; L370-K373 PolarHBondContact O-N 3.26Å; L370-C374 PolarHBondContact O-N 2.9Å; L370-C374 PolarHBondContact O-SG 3.03Å |
| 371 | L | 82.1 | Confident | 77.8 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 170 | -72.4 | 172.7 | 0 | 0 | 0 | 111.5 | Y367 C374 R375 | Y367-L371 WeakPolarHBondContact O-CB 3.34Å; Y367-L371 VanDerWaalsContact O-CG 3.27Å; Y367-L371 WeakPolarHBondContact O-CG 3.41Å; Y367-L371 PolarHBondContact O-N 3.03Å; L371-C374 PolarHBondContact O-N 2.81Å; L371-R375 WeakPolarHBondContact O-CB 3.15Å; L371-R375 VanDerWaalsContact O-CG 3.25Å; L371-R375 WeakPolarHBondContact O-CG 3.25Å; L371-R375 PolarHBondContact O-N 3.42Å |
| 372 | S | 81.7 | Confident | 75.4 | Confident | 53 Ų | 53 | 105.5 Ų | 105.5 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | E368 E369 L370 R375 Q376 | E368-S372 WeakPolarHBondContact O-CB 3.36Å; E368-S372 PolarHBondContact O-N 2.96Å; E368-S372 PolarHBondContact O-OG 2.77Å; E369-S372 CarbonylContact O-C 3.6Å; E369-S372 PolarHBondContact O-N 3.26Å; L370-S372 VanDerWaalsContact C-N 3.31Å; L370-S372 PolarHBondContact O-N 2.74Å; S372-R375 CarbonylContact O-C 3.57Å; S372-R375 PolarHBondContact O-N 3.31Å; S372-Q376 VanDerWaalsContact O-CB 3.26Å; S372-Q376 WeakPolarHBondContact O-CB 3.48Å; S372-Q376 WeakPolarHBondContact O-CG 3.38Å; S372-Q376 PolarHBondContact O-N 3.48Å |
| 373 | K | 82.5 | Confident | 73 | Confident | 115 Ų | 115 | 112.2 Ų | 112.2 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 172.4 | -74.7 | 164 | -173.6 | 160 | 0 | 111.6 | E369 L370 Q376 H377 | E369-K373 WeakPolarHBondContact O-CB 3.45Å; E369-K373 VanDerWaalsContact O-CG 3.22Å; E369-K373 WeakPolarHBondContact O-CG 3.49Å; E369-K373 PolarHBondContact O-N 2.86Å; E369-K373 IonicContact OE2-NZ 3.51Å; L370-K373 PolarHBondContact O-N 3.26Å; K373-Q376 PolarHBondContact O-N 2.9Å; K373-H377 WeakPolarHBondContact O-CB 3.26Å; K373-H377 PolarHBondContact O-N 3.49Å |
| 374 | C | 75 | Confident | 70.6 | Confident | 78 Ų | 78 | 114.7 Ų | 114.7 | 53% | 0.527 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -39.3 | 172.1 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | L370 L371 H377 G378 | L370-C374 PolarHBondContact O-N 2.9Å; L370-C374 PolarHBondContact O-SG 3.03Å; L371-C374 PolarHBondContact O-N 2.81Å; C374-H377 PolarHBondContact O-N 3.42Å; C374-G378 PolarHBondContact O-N 3.39Å |
| 375 | R | 77.1 | Confident | 68.1 | Low | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.698 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.6 | -35.7 | 174.2 | -72 | 176 | -157.3 | -125.5 | 7.7 | 112.3 | L371 S372 G378 A379 | L371-R375 WeakPolarHBondContact O-CB 3.15Å; L371-R375 VanDerWaalsContact O-CG 3.25Å; L371-R375 WeakPolarHBondContact O-CG 3.25Å; L371-R375 PolarHBondContact O-N 3.42Å; S372-R375 CarbonylContact O-C 3.57Å; S372-R375 PolarHBondContact O-N 3.31Å; R375-G378 CarbonylContact O-C 3.58Å; R375-G378 WeakPolarHBondContact O-CA 3.5Å; R375-G378 PolarHBondContact O-N 2.9Å; R375-A379 WeakPolarHBondContact O-CB 3.34Å; R375-A379 PolarHBondContact O-N 2.96Å |
| 376 | Q | 65.3 | Low | 65.4 | Low | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.1 | -38.5 | 173.8 | -75.8 | 171 | 19.8 | 0 | 0 | 111.3 | S372 K373 G378 A379 G380 | S372-Q376 VanDerWaalsContact O-CB 3.26Å; S372-Q376 WeakPolarHBondContact O-CB 3.48Å; S372-Q376 WeakPolarHBondContact O-CG 3.38Å; S372-Q376 PolarHBondContact O-N 3.48Å; K373-Q376 PolarHBondContact O-N 2.9Å; Q376-G378 VanDerWaalsContact C-N 3.29Å; Q376-G378 PolarHBondContact O-N 3.48Å; Q376-A379 CarbonylContact O-C 3.57Å; Q376-A379 PolarHBondContact O-N 3.5Å; Q376-G380 PolarHBondContact O-N 3.38Å |
| 377 | H | 51.1 | Low | 62.7 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.3 | -37.2 | 167.6 | -107.4 | 70 | 0 | 0 | 0 | 111.7 | K373 C374 A379 G380 V381 | K373-H377 WeakPolarHBondContact O-CB 3.26Å; K373-H377 PolarHBondContact O-N 3.49Å; C374-H377 PolarHBondContact O-N 3.42Å; H377-A379 PolarHBondContact O-N 2.88Å; H377-G380 PolarHBondContact O-N 3.22Å; H377-V381 PolarHBondContact O-N 3.36Å |
| 378 | G | 49 | Very low | 60.4 | Low | 37 Ų | 37 | 117 Ų | 117 | 38% | 0.381 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.9 | -7.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C374 R375 Q376 R382 | C374-G378 PolarHBondContact O-N 3.39Å; R375-G378 CarbonylContact O-C 3.58Å; R375-G378 WeakPolarHBondContact O-CA 3.5Å; R375-G378 PolarHBondContact O-N 2.9Å; Q376-G378 VanDerWaalsContact C-N 3.29Å; Q376-G378 PolarHBondContact O-N 3.48Å; G378-R382 VanDerWaalsContact O-CG 3.31Å; G378-R382 WeakPolarHBondContact O-CG 3.22Å; G378-R382 PolarHBondContact O-NE 3.46Å |
| 379 | A | 48.1 | Very low | 58.1 | Low | 70 Ų | 70 | 116.3 Ų | 116.3 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -102.1 | -26.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R375 Q376 H377 | R375-A379 WeakPolarHBondContact O-CB 3.34Å; R375-A379 PolarHBondContact O-N 2.96Å; Q376-A379 CarbonylContact O-C 3.57Å; Q376-A379 PolarHBondContact O-N 3.5Å; H377-A379 PolarHBondContact O-N 2.88Å |
| 380 | G | 48 | Very low | 55.7 | Low | 67 Ų | 67 | 123.1 Ų | 123.1 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.6 | -16.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q376 H377 | Q376-G380 PolarHBondContact O-N 3.38Å; H377-G380 PolarHBondContact O-N 3.22Å |
| 381 | V | 51.4 | Low | 54 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | trans | -128.1 | 82.3 | 175 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | H377 | H377-V381 PolarHBondContact O-N 3.36Š| ||
| 382 | R | 43 | Very low | 51.6 | Low | 193 Ų | 193 | 127 Ų | 127 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -128.9 | 83.7 | 168.2 | -75 | -168.6 | 169.8 | -161.6 | -4 | 111 | G378 | G378-R382 VanDerWaalsContact O-CG 3.31Å; G378-R382 WeakPolarHBondContact O-CG 3.22Å; G378-R382 PolarHBondContact O-NE 3.46Å | ||
| 383 | H | 42.2 | Very low | 49.3 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -155.6 | 123.3 | 153.2 | -65.3 | -61.1 | 0 | 0 | 0 | 105.6 | ||||
| 384 | T | 43.6 | Very low | 47.1 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -156.8 | 144.1 | 34.2 | 43.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 385 | G | 38.9 | Very low | 45.1 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 73.4 | 86.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 386 | V | 35.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | 95 | 128.3 | 72.1 | 169.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 387 | Q | 36.9 | Very low | 41.4 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 83.6 | 96.2 | 154.8 | -81.4 | 157.3 | -0.8 | 0 | 0 | 120.8 | ||||
| 388 | T | 44.5 | Very low | 40.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | trans | -88.7 | 112.4 | 145.1 | 48 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 389 | S | 43.9 | Very low | 39.7 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -153 | 98.2 | 156.5 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 390 | R | 39.1 | Very low | 38.9 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 156.1 | 149.6 | -79.8 | -173.1 | 175.2 | 175.8 | -0.7 | 122 | ||||
| 391 | P | 54.8 | Low | 38.2 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -100.8 | 145.2 | -166.3 | 38 | -28.7 | 0 | 0 | 0 | 113.1 | ||||
| 392 | I | 31.8 | Very low | 37.4 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -167.4 | 109 | 159.2 | -87.2 | 126.8 | 0 | 0 | 0 | 105 | ||||
| 393 | S | 33 | Very low | 36.7 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 72.6 | 130.2 | 97.6 | -150.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 394 | R | 36.7 | Very low | 36.1 | Very low | 229 Ų | 229 | 144.6 Ų | 144.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 75.3 | 111.7 | 154 | -83.9 | 176.5 | 160.1 | 167 | -4.2 | 120.5 | ||||
| 395 | D | 32.6 | Very low | 35.6 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | 52.8 | 115.8 | 127.7 | -102.6 | -19.3 | 0 | 0 | 0 | 120.1 | |||||
| 396 | S | 32 | Very low | 35.3 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -156.4 | 103.2 | 139.8 | -81.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 397 | S | 32.9 | Very low | 35 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | 79.9 | 100.9 | 79.4 | 164.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 398 | W | 27.1 | Very low | 34.7 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | 60.9 | 109.7 | 146.5 | -57.3 | 88.4 | 0 | 0 | 0 | 117.3 | ||||
| 399 | R | 36.3 | Very low | 34 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | 56.1 | 117.8 | 84.6 | -152.8 | -151.8 | -59.4 | -101.6 | 7 | 112.1 | |||||
| 400 | D | 32.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 152.2 | 131.2 | 154.5 | -86.3 | -1.7 | 0 | 0 | 0 | 108.7 | ||||
| 401 | L | 34.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 145 Ų | 145 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | cis | -158.4 | 127.9 | 14.8 | -76.4 | 138.7 | 0 | 0 | 0 | 106.6 | ||||
| 402 | R | 32.9 | Very low | 33 | Very low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | 20.2 | 126.6 | 96.6 | -166.8 | -179 | -71.5 | -94 | 2.1 | 117.7 | |||||
| 403 | G | 28.2 | Very low | 33.5 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 116.8 | 128.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 404 | G | 29.9 | Very low | 33.9 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 171.8 | 154.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 405 | E | 34.1 | Very low | 34.3 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 47 | 142.5 | 141.9 | -62.4 | 174.1 | 154.2 | 0 | 0 | 118.6 | ||||
| 406 | E | 31.3 | Very low | 35.1 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | cis | -177.2 | 166.6 | 7.3 | -106.3 | 178.7 | 168.2 | 0 | 0 | 104.6 | ||||
| 407 | G | 30.1 | Very low | 36.1 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 132.6 | 72.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 408 | Q | 31.3 | Very low | 37.1 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 97% | 0.967 | 77% | 0.769 | S | S | * | * | trans | 17.1 | 122.6 | 131.6 | -155.6 | 169 | 13.9 | 0 | 0 | 120.2 | ||||
| 409 | G | 28.6 | Very low | 38.6 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 153.6 | 121.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 410 | E | 35 | Very low | 39.7 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | 76.6 | 75.9 | 158.1 | -61.4 | -169.5 | 127.9 | 0 | 0 | 120.3 | K412 | E410-K412 PolarHBondContact O-N 3.29Š| ||
| 411 | A | 39.6 | Very low | 40.7 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 99.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 412 | K | 43.7 | Very low | 42 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.4 | 4.3 | 145.2 | -102.6 | 177.6 | -177.5 | -173.3 | 0 | 116.8 | E410 | E410-K412 PolarHBondContact O-N 3.29Š|
| 413 | A | 41.5 | Very low | 43.4 | Very low | 84 Ų | 84 | 123.6 Ų | 123.6 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -109.9 | 6.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 414 | G | 42 | Very low | 45 | Very low | 37 Ų | 37 | 122.2 Ų | 122.2 | 38% | 0.381 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -81.6 | -38.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | K416 S417 L418 | G414-K416 PolarHBondContact O-N 2.89Å; G414-S417 PolarHBondContact O-N 3.27Å; G414-L418 VanDerWaalsContact O-CB 3.23Å; G414-L418 WeakPolarHBondContact O-CB 3.4Å; G414-L418 WeakPolarHBondContact O-CD1 3.26Å; G414-L418 WeakPolarHBondContact O-CG 3.18Å; G414-L418 PolarHBondContact O-N 2.94Å |
| 415 | E | 44.6 | Very low | 46.4 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.2 | -37 | -170.3 | -78.9 | -178.5 | 141.9 | 0 | 0 | 113.6 | S419 | E415-S419 WeakPolarHBondContact O-CB 3.49Å; E415-S419 PolarHBondContact O-N 3.46Å |
| 416 | K | 48.9 | Very low | 47.6 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.2 | -36.1 | 177.5 | -67.3 | -177.2 | -178.2 | 179.9 | 0 | 112 | G414 Q420 | G414-K416 PolarHBondContact O-N 2.89Å; K416-Q420 WeakPolarHBondContact O-CB 3.4Å; K416-Q420 PolarHBondContact O-N 2.79Å |
| 417 | S | 54.2 | Low | 49.1 | Very low | 79 Ų | 79 | 114 Ų | 114 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.5 | -39 | 178.1 | -157.1 | 0 | 0 | 0 | 0 | 111.5 | G414 H421 | G414-S417 PolarHBondContact O-N 3.27Å; S417-H421 WeakPolarHBondContact O-CB 3.31Å; S417-H421 PolarHBondContact O-N 3.33Å |
| 418 | L | 53.5 | Low | 50.3 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.6 | -41.8 | 174.8 | -70.5 | 167.9 | 0 | 0 | 0 | 112.3 | G414 H421 V422 | G414-L418 VanDerWaalsContact O-CB 3.23Å; G414-L418 WeakPolarHBondContact O-CB 3.4Å; G414-L418 WeakPolarHBondContact O-CD1 3.26Å; G414-L418 WeakPolarHBondContact O-CG 3.18Å; G414-L418 PolarHBondContact O-N 2.94Å; L418-H421 PolarHBondContact O-N 3.4Å; L418-V422 VanDerWaalsContact O-CB 3.27Å; L418-V422 WeakPolarHBondContact O-CB 3.22Å; L418-V422 WeakPolarHBondContact O-CG2 3.03Å; L418-V422 PolarHBondContact O-N 2.94Å |
| 419 | S | 57.6 | Low | 51.4 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 177.5 | -154.1 | 0 | 0 | 0 | 0 | 111.5 | E415 V422 E423 | E415-S419 WeakPolarHBondContact O-CB 3.49Å; E415-S419 PolarHBondContact O-N 3.46Å; S419-V422 PolarHBondContact O-N 3.32Å; S419-E423 VanDerWaalsContact O-CB 3.25Å; S419-E423 WeakPolarHBondContact O-CB 3.47Å; S419-E423 PolarHBondContact O-N 3.29Å |
| 420 | Q | 60.1 | Low | 52.5 | Low | 146 Ų | 146 | 117 Ų | 117 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.4 | -31.7 | 175.9 | -162.3 | 170.3 | 57.2 | 0 | 0 | 112.3 | K416 A424 | K416-Q420 WeakPolarHBondContact O-CB 3.4Å; K416-Q420 PolarHBondContact O-N 2.79Å; Q420-A424 WeakPolarHBondContact O-CB 3.44Å; Q420-A424 PolarHBondContact O-N 2.75Å |
| 421 | H | 53.1 | Low | 53.4 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74 | -39 | 172.7 | -163.9 | 55.5 | 0 | 0 | 0 | 112.1 | S417 L418 A424 V425 | S417-H421 WeakPolarHBondContact O-CB 3.31Å; S417-H421 PolarHBondContact O-N 3.33Å; L418-H421 PolarHBondContact O-N 3.4Å; H421-A424 PolarHBondContact O-N 3.12Å; H421-V425 VanDerWaalsContact O-CB 3.3Å; H421-V425 WeakPolarHBondContact O-CB 3.4Å; H421-V425 WeakPolarHBondContact O-CG2 3.4Å; H421-V425 PolarHBondContact O-N 3.28Å |
| 422 | V | 61.6 | Low | 54.2 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 58% | 0.582 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -42.9 | 174 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | L418 S419 V425 D426 | L418-V422 VanDerWaalsContact O-CB 3.27Å; L418-V422 WeakPolarHBondContact O-CB 3.22Å; L418-V422 WeakPolarHBondContact O-CG2 3.03Å; L418-V422 PolarHBondContact O-N 2.94Å; S419-V422 PolarHBondContact O-N 3.32Å; V422-V425 PolarHBondContact O-N 2.94Å; V422-D426 WeakPolarHBondContact O-CB 3.33Å; V422-D426 PolarHBondContact O-N 3.47Å |
| 423 | E | 63.2 | Low | 55 | Low | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.4 | -33.6 | 177.8 | -156.2 | -170.2 | 153.2 | 0 | 0 | 112.1 | S419 K427 | S419-E423 VanDerWaalsContact O-CB 3.25Å; S419-E423 WeakPolarHBondContact O-CB 3.47Å; S419-E423 PolarHBondContact O-N 3.29Å; E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 VanDerWaalsContact O-CG 3.3Å; E423-K427 WeakPolarHBondContact O-CG 3.2Å; E423-K427 PolarHBondContact O-N 3.31Å; E423-K427 WeakPolarHBondContact OE1-CE 3.38Å; E423-K427 IonicContact OE1-NZ 2.9Å; E423-K427 PolarHBondContact OE1-NZ 2.86Å |
| 424 | A | 61.3 | Low | 56.4 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.9 | -34.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q420 H421 R428 | Q420-A424 WeakPolarHBondContact O-CB 3.44Å; Q420-A424 PolarHBondContact O-N 2.75Å; H421-A424 PolarHBondContact O-N 3.12Å; A424-R428 WeakPolarHBondContact O-CB 3.38Å; A424-R428 VanDerWaalsContact O-CG 3.29Å; A424-R428 WeakPolarHBondContact O-CG 3.46Å; A424-R428 PolarHBondContact O-N 3.32Å; A424-R428 VanDerWaalsContact O-N 3.09Å |
| 425 | V | 58.2 | Low | 57.9 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.6 | -38.7 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | H421 V422 R428 L429 | H421-V425 VanDerWaalsContact O-CB 3.3Å; H421-V425 WeakPolarHBondContact O-CB 3.4Å; H421-V425 WeakPolarHBondContact O-CG2 3.4Å; H421-V425 PolarHBondContact O-N 3.28Å; V422-V425 PolarHBondContact O-N 2.94Å; V425-R428 PolarHBondContact O-N 3.41Å; V425-L429 WeakPolarHBondContact O-CB 3.46Å; V425-L429 PolarHBondContact O-N 3.46Å |
| 426 | D | 61 | Low | 59.4 | Low | 60 Ų | 60 | 111 Ų | 111 | 32% | 0.321 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.5 | -38.4 | 177.2 | -132.3 | 13.3 | 0 | 0 | 0 | 111.1 | V422 R428 L429 E430 K441 | V422-D426 WeakPolarHBondContact O-CB 3.33Å; V422-D426 PolarHBondContact O-N 3.47Å; D426-R428 PolarHBondContact O-N 3.45Å; D426-L429 CarbonylContact O-C 3.36Å; D426-L429 PolarHBondContact O-N 3.46Å; D426-E430 WeakPolarHBondContact O-CG 3.49Å; D426-E430 PolarHBondContact O-N 2.94Å; D426-K441 IonicContact OD2-NZ 3.68Å |
| 427 | K | 61.8 | Low | 61 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -33.6 | 171.5 | -74.9 | 175.1 | -173.7 | 164.9 | 0 | 113.3 | E423 L429 | E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 VanDerWaalsContact O-CG 3.3Å; E423-K427 WeakPolarHBondContact O-CG 3.2Å; E423-K427 PolarHBondContact O-N 3.31Å; E423-K427 WeakPolarHBondContact OE1-CE 3.38Å; E423-K427 IonicContact OE1-NZ 2.9Å; E423-K427 PolarHBondContact OE1-NZ 2.86Å; K427-L429 VanDerWaalsContact C-N 3.34Å |
| 428 | R | 55.9 | Low | 62.2 | Low | 209 Ų | 209 | 105.4 Ų | 105.4 | 79% | 0.789 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.6 | -24.7 | 172.2 | -75.5 | -123.4 | -68.2 | -132.5 | -1.4 | 112.8 | A424 V425 D426 | A424-R428 WeakPolarHBondContact O-CB 3.38Å; A424-R428 VanDerWaalsContact O-CG 3.29Å; A424-R428 WeakPolarHBondContact O-CG 3.46Å; A424-R428 PolarHBondContact O-N 3.32Å; A424-R428 VanDerWaalsContact O-N 3.09Å; V425-R428 PolarHBondContact O-N 3.41Å; D426-R428 PolarHBondContact O-N 3.45Å |
| 429 | L | 53.3 | Low | 63.7 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -89.1 | -24.6 | -179.9 | -162.5 | 65.6 | 0 | 0 | 0 | 112.2 | V425 D426 K427 Q431 S432 Q433 | V425-L429 WeakPolarHBondContact O-CB 3.46Å; V425-L429 PolarHBondContact O-N 3.46Å; D426-L429 CarbonylContact O-C 3.36Å; D426-L429 PolarHBondContact O-N 3.46Å; K427-L429 VanDerWaalsContact C-N 3.34Å; L429-Q431 PolarHBondContact O-N 3.21Å; L429-S432 CarbonylContact O-C 3.58Å; L429-S432 PolarHBondContact O-N 3.36Å; L429-Q433 HydrophobicContact CG-CG 3.96Å; L429-Q433 WeakPolarHBondContact O-CG 3.32Å; L429-Q433 PolarHBondContact O-N 3.47Å |
| 430 | E | 52.9 | Low | 65.1 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57 | -32.8 | 175.9 | -91 | 178.4 | 167.7 | 0 | 0 | 113.4 | D426 S432 | D426-E430 WeakPolarHBondContact O-CG 3.49Å; D426-E430 PolarHBondContact O-N 2.94Å; E430-S432 PolarHBondContact O-N 2.88Å |
| 431 | Q | 53.9 | Low | 66.4 | Low | 180 Ų | 180 | 105.5 Ų | 105.5 | 84% | 0.841 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -3 | 175.2 | -78.7 | 173.1 | -10.1 | 0 | 0 | 113.9 | L429 | L429-Q431 PolarHBondContact O-N 3.21Š|
| 432 | S | 56.5 | Low | 68.2 | Low | 96 Ų | 96 | 103.4 Ų | 103.4 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.5 | 16.5 | -177.1 | -50.4 | 0 | 0 | 0 | 0 | 113.6 | L429 E430 | L429-S432 CarbonylContact O-C 3.58Å; L429-S432 PolarHBondContact O-N 3.36Å; E430-S432 PolarHBondContact O-N 2.88Å |
| 433 | Q | 60.4 | Low | 69.6 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 19% | 0.192 | 51% | 0.507 | C | S | . | . | trans | -79.5 | 132.9 | 174 | -65.3 | -146.3 | 8.7 | 0 | 0 | 110.6 | L429 K437 | L429-Q433 HydrophobicContact CG-CG 3.96Å; L429-Q433 WeakPolarHBondContact O-CG 3.32Å; L429-Q433 PolarHBondContact O-N 3.47Å; Q433-K437 VanDerWaalsContact OE1-CD 3.23Å | ||
| 434 | P | 70.1 | Confident | 70.9 | Confident | 61 Ų | 61 | 104 Ų | 104 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | trans | -64.7 | 140.3 | 171.3 | 26 | -33.1 | 0 | 0 | 0 | 110.8 | Y436 K437 | P434-Y436 HydrophobicContact CB-CD1 3.63Å; P434-Y436 HydrophobicContact CB-CE1 3.48Å; P434-Y436 VanDerWaalsContact CB-CE1 3.48Å; P434-Y436 HydrophobicContact CG-CD1 3.81Å; P434-Y436 HydrophobicContact CG-CE1 3.19Å; P434-Y436 PolarHBondContact O-N 2.85Å; P434-K437 WeakPolarHBondContact O-CB 3.24Å; P434-K437 PolarHBondContact O-N 2.98Å | ||
| 435 | E | 73.8 | Confident | 72.4 | Confident | 167 Ų | 167 | 104.7 Ų | 104.7 | 78% | 0.78 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -52.2 | -31.4 | -170.1 | -64.8 | 179.8 | 173.4 | 0 | 0 | 114.3 | K437 A438 L439 | E435-K437 PolarHBondContact O-N 3.42Å; E435-K437 VanDerWaalsContact O-N 3.17Å; E435-A438 PolarHBondContact O-N 3.46Å; E435-L439 PolarHBondContact O-N 3.36Å |
| 436 | Y | 76.4 | Confident | 73.8 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -32.4 | 177.2 | 75.9 | -100.3 | 0 | 0 | 0 | 112.2 | P434 L439 F440 | P434-Y436 HydrophobicContact CB-CD1 3.63Å; P434-Y436 HydrophobicContact CB-CE1 3.48Å; P434-Y436 VanDerWaalsContact CB-CE1 3.48Å; P434-Y436 HydrophobicContact CG-CD1 3.81Å; P434-Y436 HydrophobicContact CG-CE1 3.19Å; P434-Y436 PolarHBondContact O-N 2.85Å; Y436-L439 WeakPolarHBondContact O-CB 3.34Å; Y436-L439 PolarHBondContact O-N 3.37Å; Y436-F440 AromaticContact CD2-CD2 3.98Å; Y436-F440 HydrophobicContact CD2-CD2 3.98Å; Y436-F440 HydrophobicContact CD2-CE2 4.16Å; Y436-F440 WeakPolarHBondContact O-CD2 3.27Å; Y436-F440 PolarHBondContact O-N 3.26Å |
| 437 | K | 81.7 | Confident | 75.3 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.3 | -31.6 | -176.8 | -145.8 | 164.9 | 172.4 | -168.4 | 0 | 111.7 | Q433 P434 E435 K441 | Q433-K437 VanDerWaalsContact OE1-CD 3.23Å; P434-K437 WeakPolarHBondContact O-CB 3.24Å; P434-K437 PolarHBondContact O-N 2.98Å; E435-K437 PolarHBondContact O-N 3.42Å; E435-K437 VanDerWaalsContact O-N 3.17Å; K437-K441 PolarHBondContact O-N 3.24Å |
| 438 | A | 80.8 | Confident | 76.5 | Confident | 60 Ų | 60 | 110.2 Ų | 110.2 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E435 F440 K441 E442 | E435-A438 PolarHBondContact O-N 3.46Å; A438-F440 VanDerWaalsContact C-N 3.34Å; A438-F440 PolarHBondContact O-N 3.17Å; A438-K441 PolarHBondContact O-N 2.91Å; A438-K441 VanDerWaalsContact O-N 3.16Å; A438-E442 PolarHBondContact O-N 2.85Å |
| 439 | L | 82.9 | Confident | 78.2 | Confident | 94 Ų | 94 | 107.1 Ų | 107.1 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 173.4 | -82.2 | 162.6 | 0 | 0 | 0 | 112.1 | E435 Y436 K441 E442 I443 | E435-L439 PolarHBondContact O-N 3.36Å; Y436-L439 WeakPolarHBondContact O-CB 3.34Å; Y436-L439 PolarHBondContact O-N 3.37Å; L439-K441 PolarHBondContact O-N 2.93Å; L439-E442 PolarHBondContact O-N 3.25Å; L439-I443 WeakPolarHBondContact O-CB 3.44Å; L439-I443 WeakPolarHBondContact O-CD1 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.29Å; L439-I443 PolarHBondContact O-N 3.24Å |
| 440 | F | 88.2 | Confident | 80 | Confident | 139 Ų | 139 | 107.2 Ų | 107.2 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 175.4 | -89.4 | -71.7 | 0 | 0 | 0 | 112.4 | Y436 A438 E442 F444 | Y436-F440 AromaticContact CD2-CD2 3.98Å; Y436-F440 HydrophobicContact CD2-CD2 3.98Å; Y436-F440 HydrophobicContact CD2-CE2 4.16Å; Y436-F440 WeakPolarHBondContact O-CD2 3.27Å; Y436-F440 PolarHBondContact O-N 3.26Å; A438-F440 VanDerWaalsContact C-N 3.34Å; A438-F440 PolarHBondContact O-N 3.17Å; F440-E442 VanDerWaalsContact C-N 3.34Å; F440-F444 VanDerWaalsContact O-CB 3.27Å; F440-F444 WeakPolarHBondContact O-CB 3.47Å; F440-F444 PolarHBondContact O-N 3.45Å |
| 441 | K | 86.9 | Confident | 81.8 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 174 | -74.1 | -175.5 | 176.6 | -174.5 | 0 | 111.3 | D426 K437 A438 L439 F444 S445 | D426-K441 IonicContact OD2-NZ 3.68Å; K437-K441 PolarHBondContact O-N 3.24Å; A438-K441 PolarHBondContact O-N 2.91Å; A438-K441 VanDerWaalsContact O-N 3.16Å; L439-K441 PolarHBondContact O-N 2.93Å; K441-F444 PolarHBondContact O-N 2.87Å; K441-S445 WeakPolarHBondContact O-CB 3.29Å; K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 PolarHBondContact O-OG 3.41Å; K441-S445 VanDerWaalsContact O-OG 3.05Å |
| 442 | E | 90.2 | Very high | 83.2 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.5 | -167.3 | -178.6 | 163.3 | 0 | 0 | 112.3 | A438 L439 F440 F444 S445 R446 | A438-E442 PolarHBondContact O-N 2.85Å; L439-E442 PolarHBondContact O-N 3.25Å; F440-E442 VanDerWaalsContact C-N 3.34Å; E442-F444 PolarHBondContact O-N 3.45Å; E442-S445 WeakPolarHBondContact CA-OG 3.34Å; E442-S445 PolarHBondContact O-N 3.48Å; E442-S445 PolarHBondContact O-OG 2.86Å; E442-R446 WeakPolarHBondContact O-CB 3.45Å; E442-R446 PolarHBondContact O-N 2.92Å; E442-R446 IonicContact OE1-CZ 3.99Å; E442-R446 IonicContact OE1-NH1 3.6Å; E442-R446 PolarHBondContact OE1-NH1 3.39Å; E442-R446 IonicContact OE1-NH2 2.97Å; E442-R446 PolarHBondContact OE1-NH2 2.94Å |
| 443 | I | 91.4 | Very high | 84.6 | Confident | 81 Ų | 81 | 101.3 Ų | 101.3 | 42% | 0.415 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 176 | -69 | 164.3 | 0 | 0 | 0 | 109.9 | L439 S445 R446 I447 | L439-I443 WeakPolarHBondContact O-CB 3.44Å; L439-I443 WeakPolarHBondContact O-CD1 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.29Å; L439-I443 PolarHBondContact O-N 3.24Å; I443-S445 PolarHBondContact O-N 2.93Å; I443-R446 PolarHBondContact O-N 3.43Å; I443-I447 HydrophobicContact CG2-CD1 3.65Å; I443-I447 HydrophobicContact CG2-CG1 4.37Å; I443-I447 WeakPolarHBondContact O-CB 3.41Å; I443-I447 VanDerWaalsContact O-CG1 3.23Å; I443-I447 WeakPolarHBondContact O-CG1 3.41Å; I443-I447 PolarHBondContact O-N 2.88Å |
| 444 | F | 91.6 | Very high | 85.7 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | -178.6 | -150.6 | -101.1 | 0 | 0 | 0 | 112.1 | F440 K441 E442 I447 Q448 | F440-F444 VanDerWaalsContact O-CB 3.27Å; F440-F444 WeakPolarHBondContact O-CB 3.47Å; F440-F444 PolarHBondContact O-N 3.45Å; K441-F444 PolarHBondContact O-N 2.87Å; E442-F444 PolarHBondContact O-N 3.45Å; F444-I447 PolarHBondContact O-N 3.29Å; F444-Q448 HydrophobicContact CD1-CG 4.36Å; F444-Q448 HydrophobicContact CE1-CG 4.46Å; F444-Q448 VanDerWaalsContact CE1-NE2 3.3Å; F444-Q448 WeakPolarHBondContact O-CG 3.43Å; F444-Q448 PolarHBondContact O-N 3.24Å |
| 445 | S | 91.3 | Very high | 86.2 | Confident | 66 Ų | 66 | 104.2 Ų | 104.2 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 174.5 | 63 | 0 | 0 | 0 | 0 | 112.5 | K441 E442 I443 Q448 K449 | K441-S445 WeakPolarHBondContact O-CB 3.29Å; K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 PolarHBondContact O-OG 3.41Å; K441-S445 VanDerWaalsContact O-OG 3.05Å; E442-S445 WeakPolarHBondContact CA-OG 3.34Å; E442-S445 PolarHBondContact O-N 3.48Å; E442-S445 PolarHBondContact O-OG 2.86Å; I443-S445 PolarHBondContact O-N 2.93Å; S445-Q448 PolarHBondContact O-N 3.18Å; S445-K449 WeakPolarHBondContact O-CB 3.47Å; S445-K449 PolarHBondContact O-N 2.97Å |
| 446 | R | 89.6 | Confident | 86.4 | Confident | 152 Ų | 152 | 99 Ų | 99 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -46.5 | 172.2 | -82.7 | -175.5 | 175.1 | 127 | 8.3 | 111.6 | E442 I443 Q448 K449 T450 | E442-R446 WeakPolarHBondContact O-CB 3.45Å; E442-R446 PolarHBondContact O-N 2.92Å; E442-R446 IonicContact OE1-CZ 3.99Å; E442-R446 IonicContact OE1-NH1 3.6Å; E442-R446 PolarHBondContact OE1-NH1 3.39Å; E442-R446 IonicContact OE1-NH2 2.97Å; E442-R446 PolarHBondContact OE1-NH2 2.94Å; I443-R446 PolarHBondContact O-N 3.43Å; R446-Q448 VanDerWaalsContact C-N 3.34Å; R446-Q448 PolarHBondContact O-N 2.87Å; R446-K449 PolarHBondContact O-N 2.93Å; R446-T450 PolarHBondContact O-N 2.88Å; R446-T450 PolarHBondContact O-OG1 2.83Å |
| 447 | I | 91.3 | Very high | 86.2 | Confident | 100 Ų | 100 | 96.3 Ų | 96.3 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.3 | -69.6 | 168 | 0 | 0 | 0 | 111 | I443 F444 T450 K451 | I443-I447 HydrophobicContact CG2-CD1 3.65Å; I443-I447 HydrophobicContact CG2-CG1 4.37Å; I443-I447 WeakPolarHBondContact O-CB 3.41Å; I443-I447 VanDerWaalsContact O-CG1 3.23Å; I443-I447 WeakPolarHBondContact O-CG1 3.41Å; I443-I447 PolarHBondContact O-N 2.88Å; F444-I447 PolarHBondContact O-N 3.29Å; I447-T450 PolarHBondContact O-N 3.48Å; I447-K451 WeakPolarHBondContact O-CB 3.32Å; I447-K451 PolarHBondContact O-N 3.32Å |
| 448 | Q | 88.2 | Confident | 85.8 | Confident | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 176.7 | -77.2 | -164.4 | 15.1 | 0 | 0 | 112.5 | F444 S445 R446 K451 A452 | F444-Q448 HydrophobicContact CD1-CG 4.36Å; F444-Q448 HydrophobicContact CE1-CG 4.46Å; F444-Q448 VanDerWaalsContact CE1-NE2 3.3Å; F444-Q448 WeakPolarHBondContact O-CG 3.43Å; F444-Q448 PolarHBondContact O-N 3.24Å; S445-Q448 PolarHBondContact O-N 3.18Å; R446-Q448 VanDerWaalsContact C-N 3.34Å; R446-Q448 PolarHBondContact O-N 2.87Å; Q448-K451 PolarHBondContact O-N 2.93Å; Q448-A452 PolarHBondContact O-N 3.43Å |
| 449 | K | 90.6 | Very high | 85.3 | Confident | 144 Ų | 144 | 100.1 Ų | 100.1 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 176 | -169.2 | 176.3 | -179.8 | 179.7 | 0 | 111.2 | S445 R446 K451 A452 D453 | S445-K449 WeakPolarHBondContact O-CB 3.47Å; S445-K449 PolarHBondContact O-N 2.97Å; R446-K449 PolarHBondContact O-N 2.93Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 2.72Å; K449-A452 WeakPolarHBondContact O-CB 3.42Å; K449-A452 PolarHBondContact O-N 2.85Å; K449-A452 VanDerWaalsContact O-N 3.09Å; K449-D453 VanDerWaalsContact O-CG 3.3Å; K449-D453 PolarHBondContact O-N 3.4Å |
| 450 | T | 91.6 | Very high | 84.5 | Confident | 79 Ų | 79 | 103.3 Ų | 103.3 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 174.9 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | R446 I447 D453 I454 | R446-T450 PolarHBondContact O-N 2.88Å; R446-T450 PolarHBondContact O-OG1 2.83Å; I447-T450 PolarHBondContact O-N 3.48Å; T450-D453 PolarHBondContact O-N 3.4Å; T450-I454 HydrophobicContact CG2-CD1 3.91Å; T450-I454 HydrophobicContact CG2-CG1 4.46Å; T450-I454 WeakPolarHBondContact O-CB 3.33Å; T450-I454 VanDerWaalsContact O-CG1 3.23Å; T450-I454 WeakPolarHBondContact O-CG1 2.95Å; T450-I454 PolarHBondContact O-N 2.94Å |
| 451 | K | 89.3 | Confident | 83.2 | Confident | 138 Ų | 138 | 101.2 Ų | 101.2 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 174.9 | -174.4 | 178.8 | 178.4 | 180 | 0 | 112 | I447 Q448 K449 N455 | I447-K451 WeakPolarHBondContact O-CB 3.32Å; I447-K451 PolarHBondContact O-N 3.32Å; Q448-K451 PolarHBondContact O-N 2.93Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 2.72Å; K451-N455 WeakPolarHBondContact O-CB 3.35Å; K451-N455 PolarHBondContact O-N 3.2Å; K451-N455 PolarHBondContact O-ND2 3.48Å |
| 452 | A | 85.3 | Confident | 81.9 | Confident | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q448 K449 N455 A456 | Q448-A452 PolarHBondContact O-N 3.43Å; K449-A452 WeakPolarHBondContact O-CB 3.42Å; K449-A452 PolarHBondContact O-N 2.85Å; K449-A452 VanDerWaalsContact O-N 3.09Å; A452-N455 PolarHBondContact O-N 3.01Å; A452-A456 WeakPolarHBondContact O-CB 3.49Å; A452-A456 PolarHBondContact O-N 2.78Å |
| 453 | D | 84.1 | Confident | 80.3 | Confident | 90 Ų | 90 | 104.5 Ų | 104.5 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 178 | -66.2 | -25.1 | 0 | 0 | 0 | 111.9 | K449 T450 N455 A456 T457 | K449-D453 VanDerWaalsContact O-CG 3.3Å; K449-D453 PolarHBondContact O-N 3.4Å; T450-D453 PolarHBondContact O-N 3.4Å; D453-N455 VanDerWaalsContact C-N 3.34Å; D453-A456 PolarHBondContact O-N 2.96Å; D453-T457 WeakPolarHBondContact O-CG2 3.5Å; D453-T457 PolarHBondContact O-N 2.76Å; D453-T457 PolarHBondContact O-OG1 3.43Å |
| 454 | I | 84.4 | Confident | 78.5 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 42% | 0.415 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -40.8 | 173.1 | -69.1 | 167.1 | 0 | 0 | 0 | 110.8 | T450 T457 K458 | T450-I454 HydrophobicContact CG2-CD1 3.91Å; T450-I454 HydrophobicContact CG2-CG1 4.46Å; T450-I454 WeakPolarHBondContact O-CB 3.33Å; T450-I454 VanDerWaalsContact O-CG1 3.23Å; T450-I454 WeakPolarHBondContact O-CG1 2.95Å; T450-I454 PolarHBondContact O-N 2.94Å; I454-T457 WeakPolarHBondContact CA-OG1 3.37Å; I454-T457 PolarHBondContact O-OG1 2.83Å; I454-K458 HydrophobicContact CG2-CD 4.28Å; I454-K458 WeakPolarHBondContact O-CB 3.29Å; I454-K458 VanDerWaalsContact O-CG 3.31Å; I454-K458 WeakPolarHBondContact O-CG 3.38Å; I454-K458 PolarHBondContact O-N 3.01Å |
| 455 | N | 80.3 | Confident | 76.4 | Confident | 81 Ų | 81 | 111.6 Ų | 111.6 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 176.9 | -71.7 | -19.6 | 0 | 0 | 0 | 111.7 | K451 A452 D453 K458 V459 | K451-N455 WeakPolarHBondContact O-CB 3.35Å; K451-N455 PolarHBondContact O-N 3.2Å; K451-N455 PolarHBondContact O-ND2 3.48Å; A452-N455 PolarHBondContact O-N 3.01Å; D453-N455 VanDerWaalsContact C-N 3.34Å; N455-K458 PolarHBondContact O-N 2.9Å; N455-V459 VanDerWaalsContact O-CG2 3.32Å; N455-V459 WeakPolarHBondContact O-CG2 3.46Å; N455-V459 PolarHBondContact O-N 3.29Å |
| 456 | A | 77.6 | Confident | 75.6 | Confident | 58 Ų | 58 | 113.9 Ų | 113.9 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A452 D453 V459 K460 | A452-A456 WeakPolarHBondContact O-CB 3.49Å; A452-A456 PolarHBondContact O-N 2.78Å; D453-A456 PolarHBondContact O-N 2.96Å; A456-V459 PolarHBondContact O-N 3.43Å; A456-K460 WeakPolarHBondContact O-CB 3.43Å; A456-K460 PolarHBondContact O-N 3.12Å |
| 457 | T | 73.6 | Confident | 74.9 | Confident | 83 Ų | 83 | 111.8 Ų | 111.8 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -36.3 | 175.9 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | D453 I454 K460 T461 | D453-T457 WeakPolarHBondContact O-CG2 3.5Å; D453-T457 PolarHBondContact O-N 2.76Å; D453-T457 PolarHBondContact O-OG1 3.43Å; I454-T457 WeakPolarHBondContact CA-OG1 3.37Å; I454-T457 PolarHBondContact O-OG1 2.83Å; T457-K460 PolarHBondContact O-N 3.4Å; T457-T461 WeakPolarHBondContact O-CG2 3.24Å; T457-T461 PolarHBondContact O-N 2.93Å; T457-T461 PolarHBondContact O-OG1 3.22Å |
| 458 | K | 73.4 | Confident | 74 | Confident | 123 Ų | 123 | 112.5 Ų | 112.5 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.4 | -43.5 | 170.5 | -77.1 | 178.9 | 178.8 | -175.9 | 0 | 112.4 | I454 N455 K460 T461 H462 | I454-K458 HydrophobicContact CG2-CD 4.28Å; I454-K458 WeakPolarHBondContact O-CB 3.29Å; I454-K458 VanDerWaalsContact O-CG 3.31Å; I454-K458 WeakPolarHBondContact O-CG 3.38Å; I454-K458 PolarHBondContact O-N 3.01Å; N455-K458 PolarHBondContact O-N 2.9Å; K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.05Å; K458-T461 WeakPolarHBondContact CA-OG1 3.25Å; K458-T461 PolarHBondContact O-N 3.25Å; K458-T461 PolarHBondContact O-OG1 2.91Å; K458-H462 PolarHBondContact O-CD2 3.41Å; K458-H462 PolarHBondContact O-N 3.04Å; K458-H462 VanDerWaalsContact O-N 3.14Å |
| 459 | V | 69.9 | Low | 73.2 | Confident | 105 Ų | 105 | 112.2 Ų | 112.2 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.5 | -38.7 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | N455 A456 H462 S463 | N455-V459 VanDerWaalsContact O-CG2 3.32Å; N455-V459 WeakPolarHBondContact O-CG2 3.46Å; N455-V459 PolarHBondContact O-N 3.29Å; A456-V459 PolarHBondContact O-N 3.43Å; V459-H462 PolarHBondContact O-N 2.71Å; V459-S463 PolarHBondContact O-N 2.89Å; V459-S463 VanDerWaalsContact O-N 3.14Å |
| 460 | K | 65.7 | Low | 72.1 | Confident | 162 Ų | 162 | 110.2 Ų | 110.2 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.5 | -35.6 | 178.9 | -137.2 | 166.2 | -175.6 | 176.8 | 0 | 113.1 | A456 T457 K458 S463 | A456-K460 WeakPolarHBondContact O-CB 3.43Å; A456-K460 PolarHBondContact O-N 3.12Å; T457-K460 PolarHBondContact O-N 3.4Å; K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.05Å; K460-S463 PolarHBondContact O-N 2.95Å |
| 461 | T | 61.3 | Low | 70.8 | Confident | 95 Ų | 95 | 112.3 Ų | 112.3 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.3 | -27.9 | 176 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | T457 K458 | T457-T461 WeakPolarHBondContact O-CG2 3.24Å; T457-T461 PolarHBondContact O-N 2.93Å; T457-T461 PolarHBondContact O-OG1 3.22Å; K458-T461 WeakPolarHBondContact CA-OG1 3.25Å; K458-T461 PolarHBondContact O-N 3.25Å; K458-T461 PolarHBondContact O-OG1 2.91Å |
| 462 | H | 58.3 | Low | 69.5 | Low | 154 Ų | 154 | 110.4 Ų | 110.4 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.4 | -20.5 | 171.6 | -81.5 | -69 | 0 | 0 | 0 | 114.1 | K458 V459 | K458-H462 PolarHBondContact O-CD2 3.41Å; K458-H462 PolarHBondContact O-N 3.04Å; K458-H462 VanDerWaalsContact O-N 3.14Å; V459-H462 PolarHBondContact O-N 2.71Å |
| 463 | S | 56.8 | Low | 68.2 | Low | 99 Ų | 99 | 114.7 Ų | 114.7 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -9.3 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 114.3 | V459 K460 | V459-S463 PolarHBondContact O-N 2.89Å; V459-S463 VanDerWaalsContact O-N 3.14Å; K460-S463 PolarHBondContact O-N 2.95Å |
| 464 | S | 55.2 | Low | 66.9 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 26.4 | -179.7 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 465 | K | 46.4 | Very low | 65.3 | Low | 255 Ų | 255 | 120 Ų | 120 | 100% | 1.109 | 65% | 0.648 | S | S | * | * | trans | -120.2 | 0 | 171 | -96.7 | -178.6 | 175 | 177.8 | 0 | 111.2 |
Retrieved 465 of 465 residues in 62.3 ms
(Link to these results)