| 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 | 28.2 | Very low | 30.4 | Very low | 230 Ų | 230 | 167.7 Ų | 167.7 | 100% | 1.133 | 88% | 0.877 | S | S | * | * | 0 | 81.8 | 0 | -69.9 | 176.7 | 167.2 | 0 | 0 | 104.5 | |||||
| 2 | S | 31.6 | Very low | 30.7 | Very low | 104 Ų | 104 | 164.6 Ų | 164.6 | 73% | 0.727 | 86% | 0.862 | S | S | * | * | 77.7 | 75 | 78.2 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | D | 27.2 | Very low | 31.1 | Very low | 172 Ų | 172 | 166.3 Ų | 166.3 | 92% | 0.92 | 86% | 0.863 | S | S | * | * | trans | -128.1 | 61.8 | 163.6 | -72.2 | -29.9 | 0 | 0 | 0 | 107.7 | ||||
| 4 | M | 29.7 | Very low | 31.5 | Very low | 180 Ų | 180 | 164.8 Ų | 164.8 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | -134 | 63.8 | 179.6 | -167.8 | 167.9 | -164.6 | 0 | 0 | 108.1 | ||||
| 5 | E | 30.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 163.6 Ų | 163.6 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | trans | -171.1 | 67.9 | 177.9 | -112.3 | 169.9 | -145 | 0 | 0 | 109.3 | ||||
| 6 | D | 29.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 167.5 Ų | 167.5 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | trans | -167.8 | 60 | 157 | -133.1 | 1.8 | 0 | 0 | 0 | 114.6 | ||||
| 7 | D | 27.1 | Very low | 32 | Very low | 163 Ų | 163 | 164.8 Ų | 164.8 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -146.8 | 29.5 | 167 | -129.6 | 0.9 | 0 | 0 | 0 | 113 | M9 | D7-M9 PolarHBondContact O-N 2.86Š| ||
| 8 | F | 34.2 | Very low | 32.1 | Very low | 205 Ų | 205 | 162 Ų | 162 | 90% | 0.899 | 82% | 0.823 | S | S | * | * | trans | -100.7 | 55.5 | -179 | -117.1 | -86.2 | 0 | 0 | 0 | 111.5 | ||||
| 9 | M | 34.6 | Very low | 32 | Very low | 169 Ų | 169 | 162.1 Ų | 162.1 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | trans | -140.3 | 71.1 | 169.1 | -68.5 | -64.6 | -172.5 | 0 | 0 | 109.8 | D7 | D7-M9 PolarHBondContact O-N 2.86Š| ||
| 10 | C | 30.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 163.6 Ų | 163.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -95.8 | 96.2 | 150.2 | -79.9 | 0 | 0 | 0 | 0 | 106.7 | D12 | C10-D12 PolarHBondContact O-N 3.06Å; C10-D12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | D | 30.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 161.1 Ų | 161.1 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -48.2 | 112.5 | 159.8 | -85.2 | -41.2 | 0 | 0 | 0 | 108.9 | E13 | D11-E13 PolarHBondContact O-N 3.05Š| ||
| 12 | D | 34 | Very low | 32.5 | Very low | 130 Ų | 130 | 159 Ų | 159 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 83.9 | 157.9 | -81.2 | -26.5 | 0 | 0 | 0 | 106.4 | C10 E14 | C10-D12 PolarHBondContact O-N 3.06Å; C10-D12 VanDerWaalsContact O-N 3.15Å; D12-E14 PolarHBondContact O-N 3.47Å | ||
| 13 | E | 37 | Very low | 32.8 | Very low | 187 Ų | 187 | 161.8 Ų | 161.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -61.1 | 79.2 | 152.9 | -79.5 | -174.1 | 157.3 | 0 | 0 | 108.1 | D11 | D11-E13 PolarHBondContact O-N 3.05Š| ||
| 14 | E | 36.7 | Very low | 32.9 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -114 | 96.6 | 164 | -80.5 | -168.3 | 162.7 | 0 | 0 | 108.7 | D12 | D12-E14 PolarHBondContact O-N 3.47Š| ||
| 15 | D | 31.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 35 | 102.7 | 153.3 | -72.4 | -33.6 | 0 | 0 | 0 | 117.7 | D17 | D15-D17 HydrophobicContact CB-CB 4.39Å; D15-D17 PolarHBondContact O-N 2.78Å | ||
| 16 | Y | 36.7 | Very low | 33.7 | Very low | 226 Ų | 226 | 152.3 Ų | 152.3 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 72 | 146.1 | -97.4 | -91.9 | 0 | 0 | 0 | 108.9 | L18 | Y16-L18 HydrophobicContact CD1-CD1 4.37Å; Y16-L18 PolarHBondContact O-N 3.42Å | ||
| 17 | D | 34.4 | Very low | 34.3 | Very low | 122 Ų | 122 | 153 Ų | 153 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 80 | 167.8 | -145.3 | 6.4 | 0 | 0 | 0 | 107.6 | D15 E19 | D15-D17 HydrophobicContact CB-CB 4.39Å; D15-D17 PolarHBondContact O-N 2.78Å; D17-E19 PolarHBondContact O-N 2.89Å | ||
| 18 | L | 32.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | trans | -69.4 | 72.8 | 164.7 | -83.9 | 158.7 | 0 | 0 | 0 | 107.8 | Y16 Y20 | Y16-L18 HydrophobicContact CD1-CD1 4.37Å; Y16-L18 PolarHBondContact O-N 3.42Å; L18-Y20 HydrophobicContact CB-CD2 4.32Å; L18-Y20 HydrophobicContact CB-CE2 4.11Å; L18-Y20 HydrophobicContact CD2-CE2 4.37Å; L18-Y20 PolarHBondContact O-N 2.84Å | ||
| 19 | E | 31.5 | Very low | 36.4 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -67.1 | 91.1 | 161.4 | -84 | -168.2 | 158.3 | 0 | 0 | 107.3 | D17 S21 | D17-E19 PolarHBondContact O-N 2.89Å; E19-S21 VanDerWaalsContact C-N 3.28Å; E19-S21 PolarHBondContact O-N 3.08Å | ||
| 20 | Y | 35.1 | Very low | 37.5 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | trans | -62.1 | 96.8 | 161.1 | -76.6 | -88.9 | 0 | 0 | 0 | 107.2 | L18 E22 | L18-Y20 HydrophobicContact CB-CD2 4.32Å; L18-Y20 HydrophobicContact CB-CE2 4.11Å; L18-Y20 HydrophobicContact CD2-CE2 4.37Å; L18-Y20 PolarHBondContact O-N 2.84Å; Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 2.96Å | ||
| 21 | S | 32.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | -67.4 | 92.9 | 167.2 | 58.6 | 0 | 0 | 0 | 0 | 108.1 | E19 D23 | E19-S21 VanDerWaalsContact C-N 3.28Å; E19-S21 PolarHBondContact O-N 3.08Å; S21-D23 PolarHBondContact O-N 3.43Å | ||
| 22 | E | 34 | Very low | 40.7 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | -62.5 | 120.4 | 166.3 | -74.8 | -173 | 165 | 0 | 0 | 108.9 | Y20 | Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 2.96Å | ||
| 23 | D | 37.7 | Very low | 42.3 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 67% | 0.667 | S | S | * | * | trans | 58.8 | 84.6 | 164.6 | -69.3 | -25.3 | 0 | 0 | 0 | 118.9 | S21 | S21-D23 PolarHBondContact O-N 3.43Š| ||
| 24 | S | 29.2 | Very low | 43.8 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | -148 | 120.4 | 129.9 | 85.1 | 0 | 0 | 0 | 0 | 111.6 | S26 | S24-S26 PolarHBondContact O-N 3.22Š| |||
| 25 | N | 40.1 | Very low | 45.4 | Very low | 180 Ų | 180 | 121 Ų | 121 | 96% | 0.963 | 63% | 0.627 | S | S | * | * | trans | -57.5 | 97.2 | 173.7 | -87.8 | -37.2 | 0 | 0 | 0 | 111.5 | ||||
| 26 | S | 36.9 | Very low | 47.5 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | trans | -144.9 | 93.6 | 161.5 | 46 | 0 | 0 | 0 | 0 | 109.8 | S24 P28 | S24-S26 PolarHBondContact O-N 3.22Å; S26-P28 VanDerWaalsContact C-N 3.29Å; S26-P28 VanDerWaalsContact O-CD 3.23Å; S26-P28 WeakPolarHBondContact O-CD 3.38Å | ||
| 27 | E | 42.5 | Very low | 49.3 | Very low | 176 Ų | 176 | 109.7 Ų | 109.7 | 82% | 0.822 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -15.9 | 173.9 | -68.8 | 177.5 | 153 | 0 | 0 | 117.4 | N29 | E27-N29 VanDerWaalsContact C-N 3.26Å; E27-N29 PolarHBondContact O-N 2.92Å |
| 28 | P | 49.5 | Very low | 51.2 | Low | 90 Ų | 90 | 109 Ų | 109 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -14.2 | 177.8 | -20.2 | 32.4 | 0 | 0 | 0 | 116.1 | S26 | S26-P28 VanDerWaalsContact C-N 3.29Å; S26-P28 VanDerWaalsContact O-CD 3.23Å; S26-P28 WeakPolarHBondContact O-CD 3.38Å |
| 29 | N | 55.9 | Low | 53.1 | Low | 78 Ų | 78 | 103.6 Ų | 103.6 | 42% | 0.417 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -80 | -30 | -169.4 | -136.9 | -12.8 | 0 | 0 | 0 | 112.9 | E27 E33 W67 | E27-N29 VanDerWaalsContact C-N 3.26Å; E27-N29 PolarHBondContact O-N 2.92Å; N29-E33 VanDerWaalsContact O-CB 3.3Å; N29-E33 WeakPolarHBondContact O-CB 3.36Å; N29-E33 PolarHBondContact O-N 3.49Å; N29-E33 VanDerWaalsContact O-N 3.09Å; N29-W67 VanDerWaalsContact OD1-CD1 3.29Å; N29-W67 PolarHBondContact OD1-NE1 3.02Å |
| 30 | V | 58.6 | Low | 55.1 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.6 | -37.3 | -173.6 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | N34 | V30-N34 VanDerWaalsContact O-CB 3.31Å; V30-N34 WeakPolarHBondContact O-CB 3.37Å; V30-N34 PolarHBondContact O-N 2.98Å; V30-N34 PolarHBondContact O-ND2 2.98Å; V30-N34 VanDerWaalsContact O-ND2 3.1Å |
| 31 | D | 62.6 | Low | 57 | Low | 117 Ų | 117 | 94.6 Ų | 94.6 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.9 | -37 | 179.7 | -73.3 | -26.1 | 0 | 0 | 0 | 112.3 | Q35 | D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.38Å; D31-Q35 VanDerWaalsContact O-N 3.07Å |
| 32 | L | 65.8 | Low | 59 | Low | 22 Ų | 22 | 92 Ų | 92 | 12% | 0.115 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 175 | -71.4 | 169.8 | 0 | 0 | 0 | 111.4 | Q35 Y36 V57 L60 E61 | L32-Q35 PolarHBondContact O-N 3.28Å; L32-Y36 WeakPolarHBondContact O-CB 3.44Å; L32-Y36 PolarHBondContact O-N 3.38Å; L32-V57 HydrophobicContact CD2-CG1 4.34Å; L32-L60 HydrophobicContact CD2-CB 3.65Å; L32-E61 HydrophobicContact CD1-CG 4.4Å; L32-E61 HydrophobicContact CD2-CB 4.41Å |
| 33 | E | 66.4 | Low | 60.8 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 177.3 | -178.4 | 167.2 | -156.1 | 0 | 0 | 111.8 | N29 Q35 Y36 Y37 W67 | N29-E33 VanDerWaalsContact O-CB 3.3Å; N29-E33 WeakPolarHBondContact O-CB 3.36Å; N29-E33 PolarHBondContact O-N 3.49Å; N29-E33 VanDerWaalsContact O-N 3.09Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 3.05Å; E33-Y36 PolarHBondContact O-N 3.42Å; E33-Y37 HydrophobicContact CG-CD2 3.7Å; E33-Y37 HydrophobicContact CG-CE2 3.41Å; E33-Y37 VanDerWaalsContact CG-CE2 3.41Å; E33-Y37 WeakPolarHBondContact O-CD2 3.46Å; E33-Y37 PolarHBondContact O-N 2.89Å; E33-Y37 WeakPolarHBondContact OE1-CE2 3.34Å; E33-W67 HydrophobicContact CB-CH2 4.13Å; E33-W67 HydrophobicContact CB-CZ2 3.86Å; E33-W67 HydrophobicContact CG-CH2 3.61Å; E33-W67 HydrophobicContact CG-CZ2 3.71Å; E33-W67 HydrophobicContact CG-CZ3 4.34Å |
| 34 | N | 68.5 | Low | 62.4 | Low | 85 Ų | 85 | 84.6 Ų | 84.6 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 177 | -76.9 | -31.3 | 0 | 0 | 0 | 111.9 | V30 N38 | V30-N34 VanDerWaalsContact O-CB 3.31Å; V30-N34 WeakPolarHBondContact O-CB 3.37Å; V30-N34 PolarHBondContact O-N 2.98Å; V30-N34 PolarHBondContact O-ND2 2.98Å; V30-N34 VanDerWaalsContact O-ND2 3.1Å; N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 3.16Å; N34-N38 PolarHBondContact O-ND2 3.42Å |
| 35 | Q | 70.6 | Confident | 64.5 | Low | 55 Ų | 55 | 85.9 Ų | 85.9 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.9 | -32.6 | 178.9 | -161.6 | 178 | 65.3 | 0 | 0 | 112.5 | D31 L32 E33 S39 V57 | D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.38Å; D31-Q35 VanDerWaalsContact O-N 3.07Å; L32-Q35 PolarHBondContact O-N 3.28Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 3.05Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.39Å; Q35-S39 PolarHBondContact O-OG 2.89Å; Q35-V57 HydrophobicContact CB-CG2 4.05Å; Q35-V57 HydrophobicContact CG-CG2 3.89Å |
| 36 | Y | 76.9 | Confident | 66.4 | Low | 16 Ų | 16 | 82.1 Ų | 82.1 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 173.2 | 176.3 | -96.7 | 0 | 0 | 0 | 112.1 | L32 E33 S39 K40 F54 W67 K70 A71 Q74 | L32-Y36 WeakPolarHBondContact O-CB 3.44Å; L32-Y36 PolarHBondContact O-N 3.38Å; E33-Y36 PolarHBondContact O-N 3.42Å; Y36-S39 WeakPolarHBondContact O-CB 3.38Å; Y36-S39 PolarHBondContact O-N 2.9Å; Y36-K40 PolarHBondContact O-N 3.21Å; Y36-F54 HydrophobicContact CD2-CD1 4.15Å; Y36-F54 AromaticContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CE2-CD1 4.38Å; Y36-F54 AromaticContact CE2-CE1 3.76Å; Y36-F54 HydrophobicContact CE2-CE1 3.76Å; Y36-W67 AromaticContact CD1-CE3 3.92Å; Y36-W67 HydrophobicContact CD1-CE3 3.92Å; Y36-W67 AromaticContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD2-CE3 4.49Å; Y36-W67 HydrophobicContact CE1-CE3 4.48Å; Y36-W67 HydrophobicContact CE1-CZ3 4.09Å; Y36-W67 AromaticContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CZ3 4.1Å; Y36-K70 HydrophobicContact CD2-CB 4.49Å; Y36-K70 HydrophobicContact CE2-CB 3.74Å; Y36-A71 HydrophobicContact CD2-CB 4.23Å; Y36-A71 HydrophobicContact CE2-CB 4.41Å; Y36-Q74 HydrophobicContact CE2-CG 4.43Å |
| 37 | Y | 72.9 | Confident | 68.4 | Low | 118 Ų | 118 | 81 Ų | 81 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 178.5 | -74.2 | -64.9 | 0 | 0 | 0 | 112.7 | E33 S39 K40 A41 W67 | E33-Y37 HydrophobicContact CG-CD2 3.7Å; E33-Y37 HydrophobicContact CG-CE2 3.41Å; E33-Y37 VanDerWaalsContact CG-CE2 3.41Å; E33-Y37 WeakPolarHBondContact O-CD2 3.46Å; E33-Y37 PolarHBondContact O-N 2.89Å; E33-Y37 WeakPolarHBondContact OE1-CE2 3.34Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.93Å; Y37-K40 PolarHBondContact O-N 2.99Å; Y37-A41 PolarHBondContact O-N 3.37Å; Y37-W67 HydrophobicContact CE2-CH2 4.25Å |
| 38 | N | 74.2 | Confident | 70.2 | Confident | 107 Ų | 107 | 80.5 Ų | 80.5 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 171.7 | -74.9 | -29.5 | 0 | 0 | 0 | 111.5 | N34 K40 A41 L42 | N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 3.16Å; N34-N38 PolarHBondContact O-ND2 3.42Å; N38-K40 VanDerWaalsContact C-N 3.31Å; N38-K40 PolarHBondContact O-N 3.43Å; N38-A41 PolarHBondContact O-N 3.02Å; N38-L42 WeakPolarHBondContact O-CD1 3.48Å; N38-L42 WeakPolarHBondContact O-CG 3.11Å; N38-L42 PolarHBondContact O-N 2.81Å |
| 39 | S | 74.4 | Confident | 71.6 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67 | -32 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | Q35 Y36 Y37 S53 F54 | Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.39Å; Q35-S39 PolarHBondContact O-OG 2.89Å; Y36-S39 WeakPolarHBondContact O-CB 3.38Å; Y36-S39 PolarHBondContact O-N 2.9Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.93Å; S39-S53 WeakPolarHBondContact OG-CB 3.33Å; S39-F54 VanDerWaalsContact C-CZ 3.45Å; S39-F54 WeakPolarHBondContact O-CE2 3.5Å; S39-F54 WeakPolarHBondContact O-CZ 3.33Å |
| 40 | K | 73.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 74.2 Ų | 74.2 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 176.1 | -168.7 | -178.9 | 178.3 | -170.6 | 0 | 111.8 | Y36 Y37 N38 L42 K43 F54 | Y36-K40 PolarHBondContact O-N 3.21Å; Y37-K40 PolarHBondContact O-N 2.99Å; N38-K40 VanDerWaalsContact C-N 3.31Å; N38-K40 PolarHBondContact O-N 3.43Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.44Å; K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 3Å; K40-F54 HydrophobicContact CB-CZ 4.35Å |
| 41 | A | 73.9 | Confident | 74 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y37 N38 K43 | Y37-A41 PolarHBondContact O-N 3.37Å; N38-A41 PolarHBondContact O-N 3.02Å; A41-K43 PolarHBondContact O-N 3.1Å; A41-K43 VanDerWaalsContact O-N 3.08Å |
| 42 | L | 75.8 | Confident | 74.9 | Confident | 58 Ų | 58 | 69 Ų | 69 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -10.2 | 176.4 | -77.7 | 155.3 | 0 | 0 | 0 | 114.6 | N38 K40 D46 A50 | N38-L42 WeakPolarHBondContact O-CD1 3.48Å; N38-L42 WeakPolarHBondContact O-CG 3.11Å; N38-L42 PolarHBondContact O-N 2.81Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.44Å; L42-D46 CarbonylContact O-C 3.4Å; L42-D46 PolarHBondContact O-N 2.82Å; L42-A50 HydrophobicContact CB-CB 4.16Å |
| 43 | K | 71.9 | Confident | 75.6 | Confident | 52 Ų | 52 | 69 Ų | 69 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | -177.6 | -177.1 | 179.8 | 171.4 | -171.6 | 0 | 112.9 | K40 A41 I78 | K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 3Å; A41-K43 PolarHBondContact O-N 3.1Å; A41-K43 VanDerWaalsContact O-N 3.08Å; K43-I78 HydrophobicContact CD-CD1 4.32Å; K43-I78 HydrophobicContact CD-CG1 4.28Å; K43-I78 HydrophobicContact CG-CD1 3.96Å; K43-I78 HydrophobicContact CG-CG1 4Å |
| 44 | E | 70.4 | Confident | 76.3 | Confident | 141 Ų | 141 | 65.8 Ų | 65.8 | 66% | 0.659 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80.8 | -33 | -179.3 | -62.2 | -53.3 | 135.7 | 0 | 0 | 111.6 | ||
| 45 | D | 73.1 | Confident | 77 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -83.6 | -52.1 | -177.3 | -64.1 | -35.4 | 0 | 0 | 0 | 113.1 | ||
| 46 | D | 80.8 | Confident | 77.5 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | trans | -144.7 | 91.5 | -173.4 | -93.7 | -44.3 | 0 | 0 | 0 | 112.2 | L42 K48 A49 A50 | L42-D46 CarbonylContact O-C 3.4Å; L42-D46 PolarHBondContact O-N 2.82Å; D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 VanDerWaalsContact O-N 3.11Å; D46-A49 HydrophobicContact CB-CB 3.84Å; D46-A49 PolarHBondContact O-N 3.11Å; D46-A50 PolarHBondContact O-N 3.24Å | ||
| 47 | P | 78.6 | Confident | 77.6 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -26 | -172.9 | 24.5 | -34.8 | 0 | 0 | 0 | 113.4 | L51 I78 L82 | P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.02Å; P47-I78 HydrophobicContact CB-CG2 3.74Å; P47-L82 HydrophobicContact CB-CD1 4.11Å; P47-L82 HydrophobicContact CB-CD2 4.2Å; P47-L82 HydrophobicContact CB-CG 4.33Å; P47-L82 HydrophobicContact CG-CD1 4.5Å; P47-L82 HydrophobicContact CG-CD2 3.88Å |
| 48 | K | 80.3 | Confident | 77.8 | Confident | 164 Ų | 164 | 61.5 Ų | 61.5 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -75.5 | -36.3 | 174.9 | -68.4 | -178.7 | -178.1 | 174.8 | 0 | 112.8 | D46 L51 S52 L82 | D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 VanDerWaalsContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.27Å; K48-S52 PolarHBondContact O-N 2.94Å; K48-L82 HydrophobicContact CG-CD1 4.35Å |
| 49 | A | 79.5 | Confident | 78.1 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.7 | -32.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D46 S52 S53 | D46-A49 HydrophobicContact CB-CB 3.84Å; D46-A49 PolarHBondContact O-N 3.11Å; A49-S52 PolarHBondContact O-N 3.05Å; A49-S52 PolarHBondContact O-OG 3.24Å; A49-S53 WeakPolarHBondContact O-CB 3.44Å; A49-S53 PolarHBondContact O-N 3.47Å; A49-S53 PolarHBondContact O-OG 3.2Å |
| 50 | A | 81.6 | Confident | 78 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L42 D46 S52 S53 F54 I78 | L42-A50 HydrophobicContact CB-CB 4.16Å; D46-A50 PolarHBondContact O-N 3.24Å; A50-S52 PolarHBondContact O-N 2.62Å; A50-S53 PolarHBondContact O-N 3.08Å; A50-S53 VanDerWaalsContact O-N 3.16Å; A50-F54 HydrophobicContact CB-CD2 4.37Å; A50-F54 HydrophobicContact CB-CE2 4.19Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.47Å; A50-I78 HydrophobicContact CB-CD1 4.12Å |
| 51 | L | 81.7 | Confident | 77.8 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.6 | -73.9 | 170.5 | 0 | 0 | 0 | 113.1 | P47 K48 S53 Q55 M75 I78 N79 L82 | P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.02Å; K48-L51 PolarHBondContact O-N 3.27Å; L51-S53 VanDerWaalsContact C-N 3.3Å; L51-Q55 WeakPolarHBondContact O-CB 3.3Å; L51-Q55 PolarHBondContact O-N 3.47Å; L51-M75 HydrophobicContact CD2-CB 3.87Å; L51-M75 HydrophobicContact CD2-CE 4.26Å; L51-M75 HydrophobicContact CD2-CG 3.97Å; L51-I78 HydrophobicContact CD1-CG2 4.19Å; L51-I78 HydrophobicContact CD2-CB 4.2Å; L51-I78 HydrophobicContact CD2-CG2 4.09Å; L51-I78 HydrophobicContact CG-CG2 3.94Å; L51-N79 VanDerWaalsContact CD1-OD1 3.31Å; L51-N79 WeakPolarHBondContact CD1-OD1 3.43Å; L51-L82 HydrophobicContact CD1-CD1 4.04Å |
| 52 | S | 81.4 | Confident | 77.2 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -29.2 | 177.5 | 65 | 0 | 0 | 0 | 0 | 112.2 | K48 A49 A50 K56 | K48-S52 PolarHBondContact O-N 2.94Å; A49-S52 PolarHBondContact O-N 3.05Å; A49-S52 PolarHBondContact O-OG 3.24Å; A50-S52 PolarHBondContact O-N 2.62Å; S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 3.26Å |
| 53 | S | 80.6 | Confident | 76.8 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.1 | -43.1 | 175.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | S39 A49 A50 L51 Q55 K56 V57 | S39-S53 WeakPolarHBondContact OG-CB 3.33Å; A49-S53 WeakPolarHBondContact O-CB 3.44Å; A49-S53 PolarHBondContact O-N 3.47Å; A49-S53 PolarHBondContact O-OG 3.2Å; A50-S53 PolarHBondContact O-N 3.08Å; A50-S53 VanDerWaalsContact O-N 3.16Å; L51-S53 VanDerWaalsContact C-N 3.3Å; S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.97Å; S53-K56 WeakPolarHBondContact O-CB 3.47Å; S53-K56 PolarHBondContact O-N 2.99Å; S53-K56 VanDerWaalsContact O-N 3.14Å; S53-V57 PolarHBondContact O-N 3.34Å |
| 54 | F | 82.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.2 | -31.9 | 171.4 | -73.8 | -59.2 | 0 | 0 | 0 | 112.9 | Y36 S39 K40 A50 K56 V57 L58 A71 Q74 M75 I78 | Y36-F54 HydrophobicContact CD2-CD1 4.15Å; Y36-F54 AromaticContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CE2-CD1 4.38Å; Y36-F54 AromaticContact CE2-CE1 3.76Å; Y36-F54 HydrophobicContact CE2-CE1 3.76Å; S39-F54 VanDerWaalsContact C-CZ 3.45Å; S39-F54 WeakPolarHBondContact O-CE2 3.5Å; S39-F54 WeakPolarHBondContact O-CZ 3.33Å; K40-F54 HydrophobicContact CB-CZ 4.35Å; A50-F54 HydrophobicContact CB-CD2 4.37Å; A50-F54 HydrophobicContact CB-CE2 4.19Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.47Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-V57 WeakPolarHBondContact O-CB 3.4Å; F54-V57 PolarHBondContact O-N 2.72Å; F54-L58 PolarHBondContact O-N 3.12Å; F54-A71 HydrophobicContact CB-CB 4.39Å; F54-A71 HydrophobicContact CD1-CB 3.89Å; F54-Q74 HydrophobicContact CE1-CB 4.29Å; F54-Q74 HydrophobicContact CE2-CB 4.09Å; F54-Q74 HydrophobicContact CZ-CB 3.9Å; F54-Q74 HydrophobicContact CZ-CG 4.34Å; F54-M75 HydrophobicContact CB-CG 3.48Å; F54-M75 VanDerWaalsContact CB-CG 3.48Å; F54-M75 HydrophobicContact CB-SD 3.69Å; F54-M75 HydrophobicContact CD2-CG 4.2Å; F54-M75 HydrophobicContact CG-CG 4.05Å; F54-I78 HydrophobicContact CD2-CD1 4.1Å; F54-I78 HydrophobicContact CE2-CD1 3.74Å |
| 55 | Q | 82.3 | Confident | 77 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 173 | 178.8 | 60.6 | 35.6 | 0 | 0 | 111.9 | L51 S53 V57 L58 E59 M75 | L51-Q55 WeakPolarHBondContact O-CB 3.3Å; L51-Q55 PolarHBondContact O-N 3.47Å; S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.97Å; Q55-V57 VanDerWaalsContact C-N 3.34Å; Q55-L58 WeakPolarHBondContact O-CB 3.48Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.1Å; Q55-E59 PolarHBondContact O-N 3.22Å; Q55-E59 VanDerWaalsContact O-N 3.09Å; Q55-M75 HydrophobicContact CB-CE 4.35Å |
| 56 | K | 80.6 | Confident | 77.2 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175.4 | -69.5 | 170.4 | -175.9 | 176.2 | 0 | 112.1 | S52 S53 F54 L58 E59 L60 | S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 3.26Å; S53-K56 WeakPolarHBondContact O-CB 3.47Å; S53-K56 PolarHBondContact O-N 2.99Å; S53-K56 VanDerWaalsContact O-N 3.14Å; F54-K56 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.94Å; K56-E59 PolarHBondContact O-N 3.38Å; K56-E59 VanDerWaalsContact O-N 3.12Å; K56-L60 WeakPolarHBondContact O-CG 3.4Å; K56-L60 PolarHBondContact O-N 3.47Å |
| 57 | V | 79.8 | Confident | 77 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | L32 Q35 S53 F54 Q55 L60 E61 A71 | L32-V57 HydrophobicContact CD2-CG1 4.34Å; Q35-V57 HydrophobicContact CB-CG2 4.05Å; Q35-V57 HydrophobicContact CG-CG2 3.89Å; S53-V57 PolarHBondContact O-N 3.34Å; F54-V57 WeakPolarHBondContact O-CB 3.4Å; F54-V57 PolarHBondContact O-N 2.72Å; Q55-V57 VanDerWaalsContact C-N 3.34Å; V57-L60 PolarHBondContact O-N 3.03Å; V57-E61 WeakPolarHBondContact O-CB 3.34Å; V57-E61 PolarHBondContact O-N 3.07Å; V57-E61 VanDerWaalsContact O-N 3.08Å; V57-A71 HydrophobicContact CB-CB 4.44Å; V57-A71 HydrophobicContact CG1-CB 4.27Å |
| 58 | L | 77.8 | Confident | 77.1 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -31.4 | 177.8 | -157.2 | 72.5 | 0 | 0 | 0 | 113.4 | F54 Q55 K56 L72 Y98 | F54-L58 PolarHBondContact O-N 3.12Å; Q55-L58 WeakPolarHBondContact O-CB 3.48Å; Q55-L58 PolarHBondContact O-N 3.49Å; K56-L58 PolarHBondContact O-N 2.94Å; L58-L72 HydrophobicContact CD1-CD1 3.96Å; L58-L72 HydrophobicContact CD1-CD2 4.45Å; L58-L72 HydrophobicContact CD1-CG 3.98Å; L58-L72 HydrophobicContact CD2-CD2 4.1Å; L58-Y98 VanDerWaalsContact CD1-OH 3.25Å; L58-Y98 WeakPolarHBondContact CD1-OH 3.4Å |
| 59 | E | 78.6 | Confident | 77.2 | Confident | 136 Ų | 136 | 51.6 Ų | 51.6 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -78.8 | -31.6 | 177.9 | -73.1 | 169 | -164.5 | 0 | 0 | 112.7 | Q55 K56 | Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.1Å; Q55-E59 PolarHBondContact O-N 3.22Å; Q55-E59 VanDerWaalsContact O-N 3.09Å; K56-E59 PolarHBondContact O-N 3.38Å; K56-E59 VanDerWaalsContact O-N 3.12Å |
| 60 | L | 73.9 | Confident | 77.3 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 55% | 0.55 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.3 | -27.3 | 173.6 | -69.3 | 178.4 | 0 | 0 | 0 | 112.2 | L32 K56 V57 G62 | L32-L60 HydrophobicContact CD2-CB 3.65Å; K56-L60 WeakPolarHBondContact O-CG 3.4Å; K56-L60 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 3.03Å; L60-G62 PolarHBondContact O-N 2.97Å |
| 61 | E | 68.6 | Low | 77.4 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | trans | -77.1 | 86.2 | 176 | -152.2 | -170.2 | -134.3 | 0 | 0 | 110.3 | L32 V57 E63 G65 W67 G68 | L32-E61 HydrophobicContact CD1-CG 4.4Å; L32-E61 HydrophobicContact CD2-CB 4.41Å; V57-E61 WeakPolarHBondContact O-CB 3.34Å; V57-E61 PolarHBondContact O-N 3.07Å; V57-E61 VanDerWaalsContact O-N 3.08Å; E61-E63 WeakPolarHBondContact CG-O 3.39Å; E61-G65 WeakPolarHBondContact OE1-CA 3.17Å; E61-G65 PolarHBondContact OE1-N 3.47Å; E61-G65 PolarHBondContact OE2-N 3.25Å; E61-W67 PolarHBondContact OE1-N 3.45Å; E61-G68 VanDerWaalsContact CD-N 3.26Å; E61-G68 PolarHBondContact OE1-N 3.33Å; E61-G68 WeakPolarHBondContact OE2-CA 3.43Å; E61-G68 PolarHBondContact OE2-N 3.38Å | ||
| 62 | G | 61.9 | Low | 77.5 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 84% | 0.835 | 27% | 0.27 | S | S | * | . | trans | -67.5 | -31.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L60 | L60-G62 PolarHBondContact O-N 2.97Š| ||
| 63 | E | 66.6 | Low | 77.6 | Confident | 174 Ų | 174 | 48.8 Ų | 48.8 | 81% | 0.813 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -112.9 | 137.4 | 169.9 | -68.1 | -168.7 | 164.1 | 0 | 0 | 109.3 | E61 G65 | E61-E63 WeakPolarHBondContact CG-O 3.39Å; E63-G65 PolarHBondContact O-N 3.33Å |
| 64 | K | 72.9 | Confident | 77.8 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | trans | -57.1 | 115.2 | -177.4 | -64 | -172 | -174.6 | -173.8 | 0 | 110.7 | T97 Y98 A102 | K64-T97 VanDerWaalsContact NZ-CB 3.3Å; K64-T97 PolarHBondContact NZ-O 2.91Å; K64-T97 PolarHBondContact NZ-OG1 3.32Å; K64-Y98 HydrophobicContact CB-CD1 3.76Å; K64-Y98 HydrophobicContact CB-CE1 3.55Å; K64-Y98 HydrophobicContact CD-CD1 4.21Å; K64-Y98 HydrophobicContact CD-CD2 4.48Å; K64-Y98 HydrophobicContact CD-CE1 4.16Å; K64-Y98 HydrophobicContact CD-CE2 4.41Å; K64-Y98 HydrophobicContact CD-CG 4.35Å; K64-Y98 HydrophobicContact CG-CD1 4.22Å; K64-Y98 HydrophobicContact CG-CE1 3.78Å; K64-A102 HydrophobicContact CB-CB 3.66Å; K64-A102 WeakPolarHBondContact O-CB 3.48Å | ||
| 65 | G | 74.3 | Confident | 77.8 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | -125.1 | -172.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E61 E63 | E61-G65 WeakPolarHBondContact OE1-CA 3.17Å; E61-G65 PolarHBondContact OE1-N 3.47Å; E61-G65 PolarHBondContact OE2-N 3.25Å; E63-G65 PolarHBondContact O-N 3.33Å | ||
| 66 | E | 75.9 | Confident | 77.9 | Confident | 93 Ų | 93 | 46.8 Ų | 46.8 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.6 | -32.4 | -178 | -167.4 | -177.9 | 153 | 0 | 0 | 112.3 | F69 K70 | E66-F69 WeakPolarHBondContact O-CB 3.38Å; E66-F69 PolarHBondContact O-N 2.87Å; E66-K70 HydrophobicContact CG-CD 4.46Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 3.09Å; E66-K70 WeakPolarHBondContact OE1-CE 3.47Å; E66-K70 IonicContact OE1-NZ 2.71Å; E66-K70 PolarHBondContact OE1-NZ 3.45Å |
| 67 | W | 78.3 | Confident | 78.1 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.9 | -38.8 | -177 | -69.2 | 112.7 | 0 | 0 | 0 | 112.3 | N29 E33 Y36 Y37 E61 F69 K70 A71 | N29-W67 VanDerWaalsContact OD1-CD1 3.29Å; N29-W67 PolarHBondContact OD1-NE1 3.02Å; E33-W67 HydrophobicContact CB-CH2 4.13Å; E33-W67 HydrophobicContact CB-CZ2 3.86Å; E33-W67 HydrophobicContact CG-CH2 3.61Å; E33-W67 HydrophobicContact CG-CZ2 3.71Å; E33-W67 HydrophobicContact CG-CZ3 4.34Å; Y36-W67 AromaticContact CD1-CE3 3.92Å; Y36-W67 HydrophobicContact CD1-CE3 3.92Å; Y36-W67 AromaticContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD2-CE3 4.49Å; Y36-W67 HydrophobicContact CE1-CE3 4.48Å; Y36-W67 HydrophobicContact CE1-CZ3 4.09Å; Y36-W67 AromaticContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CZ3 4.1Å; Y37-W67 HydrophobicContact CE2-CH2 4.25Å; E61-W67 PolarHBondContact OE1-N 3.45Å; W67-F69 VanDerWaalsContact C-N 3.29Å; W67-F69 PolarHBondContact O-N 3.13Å; W67-K70 HydrophobicContact CE3-CD 3.96Å; W67-K70 HydrophobicContact CZ3-CD 4.1Å; W67-K70 PolarHBondContact O-N 2.96Å; W67-A71 WeakPolarHBondContact O-CB 3.28Å; W67-A71 PolarHBondContact O-N 2.99Å |
| 68 | G | 80 | Confident | 78.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E61 A71 L72 | E61-G68 VanDerWaalsContact CD-N 3.26Å; E61-G68 PolarHBondContact OE1-N 3.33Å; E61-G68 WeakPolarHBondContact OE2-CA 3.43Å; E61-G68 PolarHBondContact OE2-N 3.38Å; G68-A71 PolarHBondContact O-N 3.31Å; G68-L72 WeakPolarHBondContact O-CB 3.42Å; G68-L72 VanDerWaalsContact O-CG 3.27Å; G68-L72 WeakPolarHBondContact O-CG 3.05Å; G68-L72 PolarHBondContact O-N 2.92Å |
| 69 | F | 81.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 173.4 | -172.5 | -86.9 | 0 | 0 | 0 | 112.3 | E66 W67 A71 L72 K73 L95 Y98 V103 Y107 | E66-F69 WeakPolarHBondContact O-CB 3.38Å; E66-F69 PolarHBondContact O-N 2.87Å; W67-F69 VanDerWaalsContact C-N 3.29Å; W67-F69 PolarHBondContact O-N 3.13Å; F69-A71 VanDerWaalsContact C-N 3.35Å; F69-L72 PolarHBondContact O-N 2.72Å; F69-K73 WeakPolarHBondContact O-CB 3.41Å; F69-K73 PolarHBondContact O-N 3.1Å; F69-L95 HydrophobicContact CD2-CD2 4.31Å; F69-L95 HydrophobicContact CD2-CG 3.99Å; F69-L95 HydrophobicContact CE2-CD1 4.27Å; F69-L95 HydrophobicContact CE2-CD2 3.45Å; F69-L95 VanDerWaalsContact CE2-CD2 3.45Å; F69-L95 HydrophobicContact CE2-CG 3.62Å; F69-L95 HydrophobicContact CZ-CD1 4.36Å; F69-L95 HydrophobicContact CZ-CD2 3.8Å; F69-L95 HydrophobicContact CZ-CG 4.14Å; F69-Y98 HydrophobicContact CB-CD1 4.42Å; F69-Y98 HydrophobicContact CD2-CG 4.28Å; F69-V103 HydrophobicContact CB-CG2 3.69Å; F69-V103 HydrophobicContact CD1-CG1 4.49Å; F69-V103 HydrophobicContact CD1-CG2 4.38Å; F69-V103 HydrophobicContact CD2-CB 4.49Å; F69-V103 HydrophobicContact CD2-CG2 3.82Å; F69-V103 HydrophobicContact CG-CG2 3.71Å; F69-Y107 AromaticContact CD1-CD1 3.99Å; F69-Y107 HydrophobicContact CD1-CD1 3.99Å; F69-Y107 AromaticContact CD1-CE1 3.63Å; F69-Y107 HydrophobicContact CD1-CE1 3.63Å; F69-Y107 AromaticContact CE1-CD1 3.83Å; F69-Y107 HydrophobicContact CE1-CD1 3.83Å; F69-Y107 AromaticContact CE1-CE1 3.74Å; F69-Y107 HydrophobicContact CE1-CE1 3.74Å |
| 70 | K | 81.9 | Confident | 78.7 | Confident | 40 Ų | 40 | 37 Ų | 37 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -43 | 174.4 | -75.1 | 174.1 | -178.3 | 167.9 | 0 | 111.4 | Y36 E66 W67 K73 Q74 Y107 | Y36-K70 HydrophobicContact CD2-CB 4.49Å; Y36-K70 HydrophobicContact CE2-CB 3.74Å; E66-K70 HydrophobicContact CG-CD 4.46Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 3.09Å; E66-K70 WeakPolarHBondContact OE1-CE 3.47Å; E66-K70 IonicContact OE1-NZ 2.71Å; E66-K70 PolarHBondContact OE1-NZ 3.45Å; W67-K70 HydrophobicContact CE3-CD 3.96Å; W67-K70 HydrophobicContact CZ3-CD 4.1Å; W67-K70 PolarHBondContact O-N 2.96Å; K70-K73 PolarHBondContact O-N 3.2Å; K70-Q74 PolarHBondContact O-N 3.43Å; K70-Q74 VanDerWaalsContact O-N 3.14Å; K70-Y107 WeakPolarHBondContact CE-OH 3.22Å; K70-Y107 HydrophobicContact CG-CE1 4.48Å; K70-Y107 WeakPolarHBondContact CG-OH 3.45Å |
| 71 | A | 83.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y36 F54 V57 W67 G68 F69 K73 Q74 M75 | Y36-A71 HydrophobicContact CD2-CB 4.23Å; Y36-A71 HydrophobicContact CE2-CB 4.41Å; F54-A71 HydrophobicContact CB-CB 4.39Å; F54-A71 HydrophobicContact CD1-CB 3.89Å; V57-A71 HydrophobicContact CB-CB 4.44Å; V57-A71 HydrophobicContact CG1-CB 4.27Å; W67-A71 WeakPolarHBondContact O-CB 3.28Å; W67-A71 PolarHBondContact O-N 2.99Å; G68-A71 PolarHBondContact O-N 3.31Å; F69-A71 VanDerWaalsContact C-N 3.35Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.45Å; A71-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 VanDerWaalsContact O-N 3.12Å; A71-M75 VanDerWaalsContact O-CG 3.31Å; A71-M75 WeakPolarHBondContact O-CG 3.29Å; A71-M75 PolarHBondContact O-N 3.48Å |
| 72 | L | 84.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.1 | -75.2 | 170 | 0 | 0 | 0 | 112.2 | L58 G68 F69 Q74 M75 I76 R91 Q94 L95 Y98 | L58-L72 HydrophobicContact CD1-CD1 3.96Å; L58-L72 HydrophobicContact CD1-CD2 4.45Å; L58-L72 HydrophobicContact CD1-CG 3.98Å; L58-L72 HydrophobicContact CD2-CD2 4.1Å; G68-L72 WeakPolarHBondContact O-CB 3.42Å; G68-L72 VanDerWaalsContact O-CG 3.27Å; G68-L72 WeakPolarHBondContact O-CG 3.05Å; G68-L72 PolarHBondContact O-N 2.92Å; F69-L72 PolarHBondContact O-N 2.72Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.95Å; L72-M75 HydrophobicContact CD2-SD 4.28Å; L72-M75 PolarHBondContact O-N 3.42Å; L72-I76 WeakPolarHBondContact O-CD1 3.27Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.3Å; L72-R91 HydrophobicContact CD2-CB 4.41Å; L72-Q94 HydrophobicContact CD1-CB 4.33Å; L72-Q94 HydrophobicContact CD2-CB 4.35Å; L72-L95 HydrophobicContact CB-CB 4.3Å; L72-L95 HydrophobicContact CB-CD1 4.19Å; L72-L95 HydrophobicContact CD1-CB 4.33Å; L72-Y98 HydrophobicContact CD1-CD2 3.96Å; L72-Y98 HydrophobicContact CD1-CE2 3.48Å; L72-Y98 VanDerWaalsContact CD1-CE2 3.48Å |
| 73 | K | 84.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 174.8 | -179.2 | -179.1 | 178.9 | -177.5 | 0 | 111.6 | F69 K70 A71 I76 K77 L95 I115 | F69-K73 WeakPolarHBondContact O-CB 3.41Å; F69-K73 PolarHBondContact O-N 3.1Å; K70-K73 PolarHBondContact O-N 3.2Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.45Å; K73-I76 PolarHBondContact O-N 3.32Å; K73-K77 PolarHBondContact O-N 2.69Å; K73-L95 HydrophobicContact CB-CD1 4.43Å; K73-I115 HydrophobicContact CG-CD1 4.32Å |
| 74 | Q | 83.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 177 | -67.6 | -59.3 | -35 | 0 | 0 | 112.1 | Y36 F54 K70 A71 L72 I76 K77 I78 | Y36-Q74 HydrophobicContact CE2-CG 4.43Å; F54-Q74 HydrophobicContact CE1-CB 4.29Å; F54-Q74 HydrophobicContact CE2-CB 4.09Å; F54-Q74 HydrophobicContact CZ-CB 3.9Å; F54-Q74 HydrophobicContact CZ-CG 4.34Å; K70-Q74 PolarHBondContact O-N 3.43Å; K70-Q74 VanDerWaalsContact O-N 3.14Å; A71-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 VanDerWaalsContact O-N 3.12Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.95Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.37Å; Q74-K77 PolarHBondContact O-N 3.27Å; Q74-K77 VanDerWaalsContact O-N 3.16Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.42Å |
| 75 | M | 83.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 175.2 | -67.8 | 175.7 | 79.2 | 0 | 0 | 112 | L51 F54 Q55 A71 L72 I78 N79 | L51-M75 HydrophobicContact CD2-CB 3.87Å; L51-M75 HydrophobicContact CD2-CE 4.26Å; L51-M75 HydrophobicContact CD2-CG 3.97Å; F54-M75 HydrophobicContact CB-CG 3.48Å; F54-M75 VanDerWaalsContact CB-CG 3.48Å; F54-M75 HydrophobicContact CB-SD 3.69Å; F54-M75 HydrophobicContact CD2-CG 4.2Å; F54-M75 HydrophobicContact CG-CG 4.05Å; Q55-M75 HydrophobicContact CB-CE 4.35Å; A71-M75 VanDerWaalsContact O-CG 3.31Å; A71-M75 WeakPolarHBondContact O-CG 3.29Å; A71-M75 PolarHBondContact O-N 3.48Å; L72-M75 HydrophobicContact CD2-SD 4.28Å; L72-M75 PolarHBondContact O-N 3.42Å; M75-I78 PolarHBondContact O-N 2.72Å; M75-N79 WeakPolarHBondContact O-CB 3.16Å; M75-N79 PolarHBondContact O-N 3.02Å; M75-N79 PolarHBondContact O-ND2 3.08Å |
| 76 | I | 84.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 175.6 | -68.3 | 156.8 | 0 | 0 | 0 | 110.6 | L72 K73 Q74 I78 N79 F80 M88 R91 Y92 L95 I115 | L72-I76 WeakPolarHBondContact O-CD1 3.27Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.3Å; K73-I76 PolarHBondContact O-N 3.32Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.37Å; I76-I78 VanDerWaalsContact C-N 3.32Å; I76-I78 PolarHBondContact O-N 3.3Å; I76-N79 PolarHBondContact O-N 3.24Å; I76-F80 PolarHBondContact O-N 3.32Å; I76-M88 HydrophobicContact CG2-CE 3.58Å; I76-M88 HydrophobicContact CG2-CG 4.06Å; I76-R91 HydrophobicContact CG1-CB 4.08Å; I76-Y92 HydrophobicContact CD1-CD2 3.99Å; I76-L95 HydrophobicContact CD1-CB 4.15Å; I76-L95 HydrophobicContact CD1-CD1 3.45Å; I76-L95 VanDerWaalsContact CD1-CD1 3.45Å; I76-L95 HydrophobicContact CD1-CG 4.41Å; I76-I115 HydrophobicContact CD1-CD1 4.23Å; I76-I115 HydrophobicContact CG2-CG2 4.06Å |
| 77 | K | 83.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 15% | 0.152 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.1 | -72.4 | -172 | 174.4 | -166.1 | 0 | 112.1 | K73 Q74 F80 K81 Y118 | K73-K77 PolarHBondContact O-N 2.69Å; Q74-K77 PolarHBondContact O-N 3.27Å; Q74-K77 VanDerWaalsContact O-N 3.16Å; K77-F80 WeakPolarHBondContact O-CB 3.4Å; K77-K81 PolarHBondContact O-N 3.25Å; K77-Y118 HydrophobicContact CG-CE1 4.49Å |
| 78 | I | 83.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -46.1 | 178.2 | -65.2 | 165.2 | 0 | 0 | 0 | 111 | K43 P47 A50 L51 F54 Q74 M75 I76 F80 K81 L82 | K43-I78 HydrophobicContact CD-CD1 4.32Å; K43-I78 HydrophobicContact CD-CG1 4.28Å; K43-I78 HydrophobicContact CG-CD1 3.96Å; K43-I78 HydrophobicContact CG-CG1 4Å; P47-I78 HydrophobicContact CB-CG2 3.74Å; A50-I78 HydrophobicContact CB-CD1 4.12Å; L51-I78 HydrophobicContact CD1-CG2 4.19Å; L51-I78 HydrophobicContact CD2-CB 4.2Å; L51-I78 HydrophobicContact CD2-CG2 4.09Å; L51-I78 HydrophobicContact CG-CG2 3.94Å; F54-I78 HydrophobicContact CD2-CD1 4.1Å; F54-I78 HydrophobicContact CE2-CD1 3.74Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.42Å; M75-I78 PolarHBondContact O-N 2.72Å; I76-I78 VanDerWaalsContact C-N 3.32Å; I76-I78 PolarHBondContact O-N 3.3Å; I78-F80 PolarHBondContact O-N 3.45Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.12Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.38Å |
| 79 | N | 83.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -32.2 | 177.9 | -78.8 | -35.9 | 0 | 0 | 0 | 112.5 | L51 M75 I76 T83 N84 M88 | L51-N79 VanDerWaalsContact CD1-OD1 3.31Å; L51-N79 WeakPolarHBondContact CD1-OD1 3.43Å; M75-N79 WeakPolarHBondContact O-CB 3.16Å; M75-N79 PolarHBondContact O-N 3.02Å; M75-N79 PolarHBondContact O-ND2 3.08Å; I76-N79 PolarHBondContact O-N 3.24Å; N79-T83 PolarHBondContact O-N 3.11Å; N79-N84 PolarHBondContact O-N 3.42Å; N79-M88 HydrophobicContact CB-CB 3.92Å; N79-M88 HydrophobicContact CB-CG 4.3Å |
| 80 | F | 82.2 | Confident | 83 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -50.8 | 170 | -169.8 | -113.4 | 0 | 0 | 0 | 111.9 | I76 K77 I78 L82 T83 F85 M88 Y118 I119 | I76-F80 PolarHBondContact O-N 3.32Å; K77-F80 WeakPolarHBondContact O-CB 3.4Å; I78-F80 PolarHBondContact O-N 3.45Å; F80-L82 PolarHBondContact O-N 3.07Å; F80-T83 PolarHBondContact O-N 2.91Å; F80-F85 HydrophobicContact CD2-CE1 4.42Å; F80-M88 HydrophobicContact CB-CE 3.5Å; F80-M88 VanDerWaalsContact CB-CE 3.5Å; F80-M88 HydrophobicContact CB-SD 4.44Å; F80-M88 HydrophobicContact CD2-CE 3.59Å; F80-M88 HydrophobicContact CD2-SD 4.18Å; F80-M88 HydrophobicContact CG-CE 3.9Å; F80-Y118 HydrophobicContact CB-CE1 4.35Å; F80-Y118 AromaticContact CD1-CD1 3.73Å; F80-Y118 HydrophobicContact CD1-CD1 3.73Å; F80-Y118 AromaticContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CE1-CD1 4Å; F80-Y118 AromaticContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CG-CD1 4.34Å; F80-Y118 HydrophobicContact CG-CE1 4.14Å; F80-I119 HydrophobicContact CD2-CG1 4.33Å; F80-I119 HydrophobicContact CE2-CB 4.34Å; F80-I119 HydrophobicContact CE2-CG1 4.29Å; F80-I119 HydrophobicContact CE2-CG2 4.13Å |
| 81 | K | 81.8 | Confident | 83.2 | Confident | 146 Ų | 146 | 38.5 Ų | 38.5 | 64% | 0.635 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.6 | -33.8 | 179.7 | -165.1 | 176.6 | -177.6 | -178.2 | 0 | 111.6 | K77 I78 T83 | K77-K81 PolarHBondContact O-N 3.25Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.12Å; K81-T83 VanDerWaalsContact C-N 3.31Å |
| 82 | L | 81 | Confident | 83.4 | Confident | 58 Ų | 58 | 38.5 Ų | 38.5 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.5 | 176 | -66.6 | -179.9 | 0 | 0 | 0 | 114.3 | P47 K48 L51 I78 F80 N84 | P47-L82 HydrophobicContact CB-CD1 4.11Å; P47-L82 HydrophobicContact CB-CD2 4.2Å; P47-L82 HydrophobicContact CB-CG 4.33Å; P47-L82 HydrophobicContact CG-CD1 4.5Å; P47-L82 HydrophobicContact CG-CD2 3.88Å; K48-L82 HydrophobicContact CG-CD1 4.35Å; L51-L82 HydrophobicContact CD1-CD1 4.04Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.38Å; F80-L82 PolarHBondContact O-N 3.07Å; L82-N84 PolarHBondContact O-N 2.92Å; L82-N84 VanDerWaalsContact O-N 3.15Å |
| 83 | T | 79.3 | Confident | 83.4 | Confident | 98 Ų | 98 | 43.2 Ų | 43.2 | 60% | 0.601 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 21.3 | -178.7 | 63.5 | 0 | 0 | 0 | 0 | 115.2 | N79 F80 K81 F85 | N79-T83 PolarHBondContact O-N 3.11Å; F80-T83 PolarHBondContact O-N 2.91Å; K81-T83 VanDerWaalsContact C-N 3.31Å; T83-F85 HydrophobicContact CG2-CZ 4.28Å; T83-F85 VanDerWaalsContact O-CD2 3.29Å; T83-F85 WeakPolarHBondContact O-CD2 3.32Å; T83-F85 WeakPolarHBondContact O-CE2 3.34Å; T83-F85 PolarHBondContact O-N 3.13Å |
| 84 | N | 83.1 | Confident | 83.4 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | trans | -92.3 | 78.9 | 178.4 | -170.9 | 2.7 | 0 | 0 | 0 | 111 | N79 L82 E87 M88 | N79-N84 PolarHBondContact O-N 3.42Å; L82-N84 PolarHBondContact O-N 2.92Å; L82-N84 VanDerWaalsContact O-N 3.15Å; N84-E87 WeakPolarHBondContact ND2-CB 3.46Å; N84-M88 WeakPolarHBondContact O-CB 3.5Å; N84-M88 PolarHBondContact O-N 3.32Å; N84-M88 VanDerWaalsContact O-N 3.1Å | ||
| 85 | F | 80.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | -172.4 | -52.2 | -62.2 | 0 | 0 | 0 | 116 | F80 T83 E87 M88 M89 L127 | F80-F85 HydrophobicContact CD2-CE1 4.42Å; T83-F85 HydrophobicContact CG2-CZ 4.28Å; T83-F85 VanDerWaalsContact O-CD2 3.29Å; T83-F85 WeakPolarHBondContact O-CD2 3.32Å; T83-F85 WeakPolarHBondContact O-CE2 3.34Å; T83-F85 PolarHBondContact O-N 3.13Å; F85-E87 PolarHBondContact O-N 2.84Å; F85-M88 HydrophobicContact CD1-SD 4.48Å; F85-M88 WeakPolarHBondContact O-CB 3.41Å; F85-M88 PolarHBondContact O-N 2.88Å; F85-M89 PolarHBondContact O-N 3.32Å; F85-L127 HydrophobicContact CB-CD1 3.63Å; F85-L127 HydrophobicContact CB-CD2 3.93Å; F85-L127 HydrophobicContact CB-CG 4.42Å; F85-L127 HydrophobicContact CD1-CD1 4.48Å; F85-L127 HydrophobicContact CD1-CD2 3.15Å; F85-L127 HydrophobicContact CD1-CG 4.39Å; F85-L127 HydrophobicContact CE1-CD2 3.7Å; F85-L127 HydrophobicContact CG-CD1 4.2Å; F85-L127 HydrophobicContact CG-CD2 3.64Å |
| 86 | P | 83.1 | Confident | 83.4 | Confident | 93 Ų | 93 | 45.2 Ų | 45.2 | 60% | 0.604 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.4 | -43.2 | 177.7 | -23.4 | 34.6 | 0 | 0 | 0 | 112.4 | M89 N90 | P86-M89 PolarHBondContact O-N 2.86Å; P86-N90 PolarHBondContact O-N 3.21Å; P86-N90 VanDerWaalsContact O-N 3.14Å; P86-N90 PolarHBondContact O-ND2 3.12Å |
| 87 | E | 82.4 | Confident | 83.3 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.2 | -37.2 | 179.1 | -171.4 | 58.5 | -162.9 | 0 | 0 | 111.1 | N84 F85 M89 N90 R91 | N84-E87 WeakPolarHBondContact ND2-CB 3.46Å; F85-E87 PolarHBondContact O-N 2.84Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 2.87Å; E87-N90 WeakPolarHBondContact O-CB 3.39Å; E87-N90 PolarHBondContact O-N 3.1Å; E87-N90 PolarHBondContact OE2-ND2 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 3.42Å; E87-R91 IonicContact OE1-CZ 2.84Å; E87-R91 VanDerWaalsContact OE1-CZ 3.23Å; E87-R91 IonicContact OE1-NE 2.62Å; E87-R91 PolarHBondContact OE1-NE 3.43Å; E87-R91 IonicContact OE1-NH2 2.83Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å |
| 88 | M | 84.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.9 | -46.6 | 171.4 | -172.6 | -165.3 | -156.6 | 0 | 0 | 112 | I76 N79 F80 N84 F85 N90 R91 Y92 I119 F131 | I76-M88 HydrophobicContact CG2-CE 3.58Å; I76-M88 HydrophobicContact CG2-CG 4.06Å; N79-M88 HydrophobicContact CB-CB 3.92Å; N79-M88 HydrophobicContact CB-CG 4.3Å; F80-M88 HydrophobicContact CB-CE 3.5Å; F80-M88 VanDerWaalsContact CB-CE 3.5Å; F80-M88 HydrophobicContact CB-SD 4.44Å; F80-M88 HydrophobicContact CD2-CE 3.59Å; F80-M88 HydrophobicContact CD2-SD 4.18Å; F80-M88 HydrophobicContact CG-CE 3.9Å; N84-M88 WeakPolarHBondContact O-CB 3.5Å; N84-M88 PolarHBondContact O-N 3.32Å; N84-M88 VanDerWaalsContact O-N 3.1Å; F85-M88 HydrophobicContact CD1-SD 4.48Å; F85-M88 WeakPolarHBondContact O-CB 3.41Å; F85-M88 PolarHBondContact O-N 2.88Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-N90 PolarHBondContact O-N 3.42Å; M88-R91 PolarHBondContact O-N 3.16Å; M88-Y92 WeakPolarHBondContact O-CB 3.27Å; M88-Y92 PolarHBondContact O-N 3.34Å; M88-I119 HydrophobicContact CE-CD1 3.71Å; M88-I119 HydrophobicContact CE-CG1 3.77Å; M88-F131 HydrophobicContact CB-CZ 4.33Å; M88-F131 HydrophobicContact CE-CZ 4.38Å; M88-F131 HydrophobicContact CG-CE1 4.36Å; M88-F131 HydrophobicContact CG-CZ 3.74Å; M88-F131 HydrophobicContact SD-CE1 4.31Å; M88-F131 HydrophobicContact SD-CE2 3.98Å; M88-F131 HydrophobicContact SD-CZ 3.47Å; M88-F131 WeakPolarHBondContact SD-CZ 3.37Å |
| 89 | M | 82.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 178.7 | -179.1 | 58.9 | 103.4 | 0 | 0 | 111.8 | F85 P86 E87 Y92 K93 E130 F131 T134 | F85-M89 PolarHBondContact O-N 3.32Å; P86-M89 PolarHBondContact O-N 2.86Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 2.87Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 HydrophobicContact SD-CD1 4.46Å; M89-K93 HydrophobicContact CG-CD 4.47Å; M89-K93 WeakPolarHBondContact O-CG 3.23Å; M89-K93 PolarHBondContact O-N 3.19Å; M89-K93 HydrophobicContact SD-CG 4.43Å; M89-E130 HydrophobicContact CE-CB 3.66Å; M89-E130 VanDerWaalsContact CE-CD 3.42Å; M89-E130 HydrophobicContact CE-CG 3.41Å; M89-E130 VanDerWaalsContact CE-CG 3.41Å; M89-E130 WeakPolarHBondContact CE-O 3.5Å; M89-E130 WeakPolarHBondContact CE-OE1 3.21Å; M89-F131 HydrophobicContact CB-CZ 4.32Å; M89-F131 HydrophobicContact CE-CD2 4.28Å; M89-F131 HydrophobicContact CE-CE2 4.44Å; M89-F131 HydrophobicContact CE-CG 4.36Å; M89-F131 HydrophobicContact SD-CD1 4.43Å; M89-F131 HydrophobicContact SD-CE1 4.27Å; M89-F131 HydrophobicContact SD-CZ 4.37Å; M89-T134 HydrophobicContact CE-CG2 3.82Å; M89-T134 HydrophobicContact SD-CG2 4.11Å |
| 90 | N | 86.7 | Confident | 81.8 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175 | -68.9 | -25.9 | 0 | 0 | 0 | 111.6 | P86 E87 M88 Y92 K93 Q94 | P86-N90 PolarHBondContact O-N 3.21Å; P86-N90 VanDerWaalsContact O-N 3.14Å; P86-N90 PolarHBondContact O-ND2 3.12Å; E87-N90 WeakPolarHBondContact O-CB 3.39Å; E87-N90 PolarHBondContact O-N 3.1Å; E87-N90 PolarHBondContact OE2-ND2 3.27Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-N90 PolarHBondContact O-N 3.42Å; N90-Y92 VanDerWaalsContact C-N 3.32Å; N90-Y92 PolarHBondContact O-N 3.31Å; N90-K93 PolarHBondContact O-N 2.94Å; N90-Q94 WeakPolarHBondContact O-CG 3.13Å; N90-Q94 PolarHBondContact O-N 3.46Å; N90-Q94 VanDerWaalsContact O-N 3.07Å |
| 91 | R | 86 | Confident | 81 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -34.5 | 176.3 | -58.1 | -50.1 | 168.7 | 163.8 | 4.1 | 112.5 | L72 I76 E87 M88 Q94 L95 | L72-R91 HydrophobicContact CD2-CB 4.41Å; I76-R91 HydrophobicContact CG1-CB 4.08Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 3.42Å; E87-R91 IonicContact OE1-CZ 2.84Å; E87-R91 VanDerWaalsContact OE1-CZ 3.23Å; E87-R91 IonicContact OE1-NE 2.62Å; E87-R91 PolarHBondContact OE1-NE 3.43Å; E87-R91 IonicContact OE1-NH2 2.83Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å; M88-R91 PolarHBondContact O-N 3.16Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 3.46Å; R91-L95 PolarHBondContact O-N 2.72Å |
| 92 | Y | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 174.3 | -168.3 | -106.1 | 0 | 0 | 0 | 111.8 | I76 M88 M89 N90 Q94 L95 L96 I115 F131 T135 | I76-Y92 HydrophobicContact CD1-CD2 3.99Å; M88-Y92 WeakPolarHBondContact O-CB 3.27Å; M88-Y92 PolarHBondContact O-N 3.34Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 HydrophobicContact SD-CD1 4.46Å; N90-Y92 VanDerWaalsContact C-N 3.32Å; N90-Y92 PolarHBondContact O-N 3.31Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.14Å; Y92-L95 WeakPolarHBondContact O-CB 3.47Å; Y92-L95 PolarHBondContact O-N 2.88Å; Y92-L95 VanDerWaalsContact O-N 3.08Å; Y92-L96 HydrophobicContact CD1-CD1 3.89Å; Y92-L96 HydrophobicContact CD1-CG 4.18Å; Y92-L96 HydrophobicContact CE1-CD1 3.69Å; Y92-L96 HydrophobicContact CE1-CD2 3.94Å; Y92-L96 HydrophobicContact CE1-CG 3.94Å; Y92-L96 WeakPolarHBondContact O-CG 3.34Å; Y92-L96 PolarHBondContact O-N 2.91Å; Y92-I115 HydrophobicContact CD2-CG2 4.38Å; Y92-I115 HydrophobicContact CE2-CD1 4.47Å; Y92-I115 HydrophobicContact CE2-CG2 3.99Å; Y92-F131 AromaticContact CD1-CD1 3.64Å; Y92-F131 HydrophobicContact CD1-CD1 3.64Å; Y92-F131 AromaticContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD2-CD1 4.17Å; Y92-F131 HydrophobicContact CD2-CE1 4.02Å; Y92-F131 AromaticContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE2-CD1 4.44Å; Y92-F131 AromaticContact CG-CD1 3.78Å; Y92-F131 HydrophobicContact CG-CD1 3.78Å; Y92-F131 AromaticContact CG-CE1 3.57Å; Y92-F131 HydrophobicContact CG-CE1 3.57Å; Y92-T135 VanDerWaalsContact CE1-OG1 3.26Å; Y92-T135 WeakPolarHBondContact CE1-OG1 3.39Å; Y92-T135 WeakPolarHBondContact OH-CG2 3.32Å; Y92-T135 PolarHBondContact OH-OG1 3.36Å |
| 93 | K | 85.2 | Confident | 79.5 | Confident | 99 Ų | 99 | 51.2 Ų | 51.2 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.2 | -39.3 | 173.7 | -73.2 | 175.4 | -177.9 | 173.8 | 0 | 112 | M89 N90 L96 T97 | M89-K93 HydrophobicContact CG-CD 4.47Å; M89-K93 WeakPolarHBondContact O-CG 3.23Å; M89-K93 PolarHBondContact O-N 3.19Å; M89-K93 HydrophobicContact SD-CG 4.43Å; N90-K93 PolarHBondContact O-N 2.94Å; K93-L96 PolarHBondContact O-N 3.36Å; K93-T97 WeakPolarHBondContact O-CG2 3.39Å |
| 94 | Q | 83.9 | Confident | 79.3 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 173 | -72.2 | 175.2 | -8.7 | 0 | 0 | 111.3 | L72 N90 R91 Y92 L96 T97 Y98 | L72-Q94 HydrophobicContact CD1-CB 4.33Å; L72-Q94 HydrophobicContact CD2-CB 4.35Å; N90-Q94 WeakPolarHBondContact O-CG 3.13Å; N90-Q94 PolarHBondContact O-N 3.46Å; N90-Q94 VanDerWaalsContact O-N 3.07Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 3.46Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.14Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.14Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 3.39Å; Q94-T97 PolarHBondContact O-OG1 3.33Å; Q94-Y98 VanDerWaalsContact O-CD2 3.25Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.46Å |
| 95 | L | 85.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -42 | 177.3 | -173.9 | 155.4 | 0 | 0 | 0 | 112 | F69 L72 K73 I76 R91 Y92 T97 Y98 I115 | F69-L95 HydrophobicContact CD2-CD2 4.31Å; F69-L95 HydrophobicContact CD2-CG 3.99Å; F69-L95 HydrophobicContact CE2-CD1 4.27Å; F69-L95 HydrophobicContact CE2-CD2 3.45Å; F69-L95 VanDerWaalsContact CE2-CD2 3.45Å; F69-L95 HydrophobicContact CE2-CG 3.62Å; F69-L95 HydrophobicContact CZ-CD1 4.36Å; F69-L95 HydrophobicContact CZ-CD2 3.8Å; F69-L95 HydrophobicContact CZ-CG 4.14Å; L72-L95 HydrophobicContact CB-CB 4.3Å; L72-L95 HydrophobicContact CB-CD1 4.19Å; L72-L95 HydrophobicContact CD1-CB 4.33Å; K73-L95 HydrophobicContact CB-CD1 4.43Å; I76-L95 HydrophobicContact CD1-CB 4.15Å; I76-L95 HydrophobicContact CD1-CD1 3.45Å; I76-L95 VanDerWaalsContact CD1-CD1 3.45Å; I76-L95 HydrophobicContact CD1-CG 4.41Å; R91-L95 PolarHBondContact O-N 2.72Å; Y92-L95 WeakPolarHBondContact O-CB 3.47Å; Y92-L95 PolarHBondContact O-N 2.88Å; Y92-L95 VanDerWaalsContact O-N 3.08Å; L95-T97 PolarHBondContact O-N 2.97Å; L95-T97 VanDerWaalsContact O-N 3.12Å; L95-Y98 WeakPolarHBondContact O-CB 3.42Å; L95-Y98 PolarHBondContact O-N 3.49Å; L95-I115 HydrophobicContact CD1-CD1 4.04Å |
| 96 | L | 81.7 | Confident | 78.7 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -25.1 | 178.3 | -66.9 | 174.9 | 0 | 0 | 0 | 112.9 | Y92 K93 Q94 Y98 I99 I112 T135 A138 | Y92-L96 HydrophobicContact CD1-CD1 3.89Å; Y92-L96 HydrophobicContact CD1-CG 4.18Å; Y92-L96 HydrophobicContact CE1-CD1 3.69Å; Y92-L96 HydrophobicContact CE1-CD2 3.94Å; Y92-L96 HydrophobicContact CE1-CG 3.94Å; Y92-L96 WeakPolarHBondContact O-CG 3.34Å; Y92-L96 PolarHBondContact O-N 2.91Å; K93-L96 PolarHBondContact O-N 3.36Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.14Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.43Å; L96-I99 HydrophobicContact CB-CD1 4.21Å; L96-I99 HydrophobicContact CD2-CD1 3.56Å; L96-I99 HydrophobicContact CG-CD1 4.49Å; L96-I99 WeakPolarHBondContact O-CB 3.19Å; L96-I99 WeakPolarHBondContact O-CD1 3.42Å; L96-I99 WeakPolarHBondContact O-CG1 3.44Å; L96-I99 PolarHBondContact O-N 2.89Å; L96-I112 HydrophobicContact CD2-CD1 4.47Å; L96-T135 HydrophobicContact CD2-CG2 4.44Å; L96-A138 HydrophobicContact CB-CB 3.84Å; L96-A138 HydrophobicContact CD1-CB 3.74Å; L96-A138 HydrophobicContact CD2-CB 4.14Å; L96-A138 HydrophobicContact CG-CB 4.11Å |
| 97 | T | 83.1 | Confident | 78.5 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.1 | 177 | 76 | 0 | 0 | 0 | 0 | 114.3 | K64 K93 Q94 L95 | K64-T97 VanDerWaalsContact NZ-CB 3.3Å; K64-T97 PolarHBondContact NZ-O 2.91Å; K64-T97 PolarHBondContact NZ-OG1 3.32Å; K93-T97 WeakPolarHBondContact O-CG2 3.39Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 3.39Å; Q94-T97 PolarHBondContact O-OG1 3.33Å; L95-T97 PolarHBondContact O-N 2.97Å; L95-T97 VanDerWaalsContact O-N 3.12Å |
| 98 | Y | 77.9 | Confident | 78.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -15.3 | 179.1 | -73.4 | -106.4 | 0 | 0 | 0 | 112.4 | L58 K64 F69 L72 Q94 L95 L96 R100 A102 | L58-Y98 VanDerWaalsContact CD1-OH 3.25Å; L58-Y98 WeakPolarHBondContact CD1-OH 3.4Å; K64-Y98 HydrophobicContact CB-CD1 3.76Å; K64-Y98 HydrophobicContact CB-CE1 3.55Å; K64-Y98 HydrophobicContact CD-CD1 4.21Å; K64-Y98 HydrophobicContact CD-CD2 4.48Å; K64-Y98 HydrophobicContact CD-CE1 4.16Å; K64-Y98 HydrophobicContact CD-CE2 4.41Å; K64-Y98 HydrophobicContact CD-CG 4.35Å; K64-Y98 HydrophobicContact CG-CD1 4.22Å; K64-Y98 HydrophobicContact CG-CE1 3.78Å; F69-Y98 HydrophobicContact CB-CD1 4.42Å; F69-Y98 HydrophobicContact CD2-CG 4.28Å; L72-Y98 HydrophobicContact CD1-CD2 3.96Å; L72-Y98 HydrophobicContact CD1-CE2 3.48Å; L72-Y98 VanDerWaalsContact CD1-CE2 3.48Å; Q94-Y98 VanDerWaalsContact O-CD2 3.25Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L95-Y98 WeakPolarHBondContact O-CB 3.42Å; L95-Y98 PolarHBondContact O-N 3.49Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.43Å; Y98-R100 PolarHBondContact O-N 3.31Å; Y98-A102 HydrophobicContact CD1-CB 3.8Å; Y98-A102 HydrophobicContact CG-CB 4.48Å; Y98-A102 PolarHBondContact O-N 3.46Å |
| 99 | I | 73.2 | Confident | 77.9 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.3 | -176.5 | -60 | 172.5 | 0 | 0 | 0 | 112.4 | L96 I112 A142 | L96-I99 HydrophobicContact CB-CD1 4.21Å; L96-I99 HydrophobicContact CD2-CD1 3.56Å; L96-I99 HydrophobicContact CG-CD1 4.49Å; L96-I99 WeakPolarHBondContact O-CB 3.19Å; L96-I99 WeakPolarHBondContact O-CD1 3.42Å; L96-I99 WeakPolarHBondContact O-CG1 3.44Å; L96-I99 PolarHBondContact O-N 2.89Å; I99-I112 HydrophobicContact CD1-CD1 3.65Å; I99-I112 HydrophobicContact CG1-CD1 4.4Å; I99-A142 HydrophobicContact CG2-CB 3.95Å |
| 100 | R | 68.1 | Low | 77.9 | Confident | 165 Ų | 165 | 64 Ų | 64 | 62% | 0.623 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -37 | -175.4 | -79.9 | -178.7 | 168.9 | 164.9 | -6.9 | 114.6 | Y98 D141 | Y98-R100 PolarHBondContact O-N 3.31Å; R100-D141 IonicContact CZ-OD2 2.73Å; R100-D141 PolarHBondContact NE-O 3.31Å; R100-D141 IonicContact NH1-OD2 3.77Å; R100-D141 PolarHBondContact NH2-O 3.23Å; R100-D141 IonicContact NH2-OD1 3.23Å; R100-D141 IonicContact NH2-OD2 3.54Å; R100-D141 PolarHBondContact NH2-OD2 3.4Å |
| 101 | S | 65.2 | Low | 77.7 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -24.9 | -159.8 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 102 | A | 61.4 | Low | 77.6 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -27.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K64 Y98 | K64-A102 HydrophobicContact CB-CB 3.66Å; K64-A102 WeakPolarHBondContact O-CB 3.48Å; Y98-A102 HydrophobicContact CD1-CB 3.8Å; Y98-A102 HydrophobicContact CG-CB 4.48Å; Y98-A102 PolarHBondContact O-N 3.46Å |
| 103 | V | 70.1 | Confident | 77.3 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -130.6 | 144 | -166.8 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | F69 Y107 | F69-V103 HydrophobicContact CB-CG2 3.69Å; F69-V103 HydrophobicContact CD1-CG1 4.49Å; F69-V103 HydrophobicContact CD1-CG2 4.38Å; F69-V103 HydrophobicContact CD2-CB 4.49Å; F69-V103 HydrophobicContact CD2-CG2 3.82Å; F69-V103 HydrophobicContact CG-CG2 3.71Å; V103-Y107 HydrophobicContact CG1-CD1 3.55Å; V103-Y107 HydrophobicContact CG1-CG 4.19Å |
| 104 | T | 75.4 | Confident | 77.3 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 60% | 0.595 | 28% | 0.284 | S | S | * | . | trans | -61.7 | 144 | 176.9 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | N106 Y107 S108 | T104-N106 PolarHBondContact O-N 2.99Å; T104-Y107 PolarHBondContact O-N 2.88Å; T104-Y107 VanDerWaalsContact O-N 3.14Å; T104-Y107 WeakPolarHBondContact OG1-CB 3.2Å; T104-Y107 PolarHBondContact OG1-N 2.86Å; T104-S108 PolarHBondContact O-N 2.95Å | ||
| 105 | R | 73 | Confident | 77.2 | Confident | 172 Ų | 172 | 53.6 Ų | 53.6 | 65% | 0.649 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.2 | -42 | -179.4 | -68 | 178.9 | 179.7 | 169.1 | -0.3 | 112 | S108 E109 | R105-S108 PolarHBondContact O-N 3.12Å; R105-S108 PolarHBondContact O-OG 3.15Å; R105-E109 WeakPolarHBondContact O-CB 3.48Å; R105-E109 PolarHBondContact O-N 3.27Å |
| 106 | N | 77.3 | Confident | 77 | Confident | 120 Ų | 120 | 53.6 Ų | 53.6 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 179.6 | -69.5 | -15.9 | 0 | 0 | 0 | 112.7 | T104 E109 K110 | T104-N106 PolarHBondContact O-N 2.99Å; N106-E109 PolarHBondContact O-N 3.15Å; N106-K110 WeakPolarHBondContact O-CG 3.04Å; N106-K110 PolarHBondContact O-N 3.27Å |
| 107 | Y | 79 | Confident | 77 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 179.5 | -169.6 | -100.4 | 0 | 0 | 0 | 111.9 | F69 K70 V103 T104 S111 | F69-Y107 AromaticContact CD1-CD1 3.99Å; F69-Y107 HydrophobicContact CD1-CD1 3.99Å; F69-Y107 AromaticContact CD1-CE1 3.63Å; F69-Y107 HydrophobicContact CD1-CE1 3.63Å; F69-Y107 AromaticContact CE1-CD1 3.83Å; F69-Y107 HydrophobicContact CE1-CD1 3.83Å; F69-Y107 AromaticContact CE1-CE1 3.74Å; F69-Y107 HydrophobicContact CE1-CE1 3.74Å; K70-Y107 WeakPolarHBondContact CE-OH 3.22Å; K70-Y107 HydrophobicContact CG-CE1 4.48Å; K70-Y107 WeakPolarHBondContact CG-OH 3.45Å; V103-Y107 HydrophobicContact CG1-CD1 3.55Å; V103-Y107 HydrophobicContact CG1-CG 4.19Å; T104-Y107 PolarHBondContact O-N 2.88Å; T104-Y107 VanDerWaalsContact O-N 3.14Å; T104-Y107 WeakPolarHBondContact OG1-CB 3.2Å; T104-Y107 PolarHBondContact OG1-N 2.86Å; Y107-S111 WeakPolarHBondContact O-CB 3.28Å; Y107-S111 PolarHBondContact O-N 3.38Å; Y107-S111 PolarHBondContact O-OG 3.49Å |
| 108 | S | 78.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 173.2 | 73 | 0 | 0 | 0 | 0 | 112.1 | T104 R105 S111 I112 | T104-S108 PolarHBondContact O-N 2.95Å; R105-S108 PolarHBondContact O-N 3.12Å; R105-S108 PolarHBondContact O-OG 3.15Å; S108-S111 PolarHBondContact O-N 2.83Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.37Å; S108-I112 VanDerWaalsContact O-CG1 3.25Å; S108-I112 WeakPolarHBondContact O-CG1 3.38Å; S108-I112 PolarHBondContact O-N 3.34Å |
| 109 | E | 76.4 | Confident | 77 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 177.6 | 177.2 | 172.4 | 169.8 | 0 | 0 | 112.1 | R105 N106 S111 I112 N113 L147 | R105-E109 WeakPolarHBondContact O-CB 3.48Å; R105-E109 PolarHBondContact O-N 3.27Å; N106-E109 PolarHBondContact O-N 3.15Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.39Å; E109-N113 WeakPolarHBondContact CG-ND2 3.39Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 3.12Å; E109-N113 PolarHBondContact O-ND2 3.44Å; E109-L147 HydrophobicContact CB-CD2 4.22Å; E109-L147 HydrophobicContact CG-CB 4.4Å; E109-L147 HydrophobicContact CG-CD1 4.12Å; E109-L147 HydrophobicContact CG-CD2 4.23Å; E109-L147 HydrophobicContact CG-CG 4.48Å |
| 110 | K | 82 | Confident | 77 | Confident | 159 Ų | 159 | 59.8 Ų | 59.8 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 175.6 | -74.9 | -174.8 | 178.3 | -174.2 | 0 | 111.3 | N106 N113 S114 | N106-K110 WeakPolarHBondContact O-CG 3.04Å; N106-K110 PolarHBondContact O-N 3.27Å; K110-N113 PolarHBondContact O-N 3.27Å; K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.36Å; K110-S114 PolarHBondContact O-N 3.33Å |
| 111 | S | 82.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.1 | -41.1 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | Y107 S108 E109 S114 I115 | Y107-S111 WeakPolarHBondContact O-CB 3.28Å; Y107-S111 PolarHBondContact O-N 3.38Å; Y107-S111 PolarHBondContact O-OG 3.49Å; S108-S111 PolarHBondContact O-N 2.83Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.34Å; S111-S114 PolarHBondContact O-N 3.45Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 WeakPolarHBondContact O-CD1 3.49Å; S111-I115 WeakPolarHBondContact O-CG1 3.47Å; S111-I115 PolarHBondContact O-N 3.05Å |
| 112 | I | 83.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 174.9 | -70.1 | 164.9 | 0 | 0 | 0 | 110.6 | L96 I99 S108 E109 I115 L116 T135 L147 | L96-I112 HydrophobicContact CD2-CD1 4.47Å; I99-I112 HydrophobicContact CD1-CD1 3.65Å; I99-I112 HydrophobicContact CG1-CD1 4.4Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.37Å; S108-I112 VanDerWaalsContact O-CG1 3.25Å; S108-I112 WeakPolarHBondContact O-CG1 3.38Å; S108-I112 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.39Å; I112-I115 PolarHBondContact O-N 3.08Å; I112-L116 HydrophobicContact CG2-CD1 3.7Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.27Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.12Å; I112-T135 HydrophobicContact CG2-CG2 3.96Å; I112-L147 HydrophobicContact CB-CD2 4.49Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD1 4.45Å; I112-L147 HydrophobicContact CG2-CD2 4.42Å |
| 113 | N | 81.6 | Confident | 77.8 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.2 | -74.7 | -42.3 | 0 | 0 | 0 | 111.4 | E109 K110 I115 L116 D117 | E109-N113 WeakPolarHBondContact CG-ND2 3.39Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 3.12Å; E109-N113 PolarHBondContact O-ND2 3.44Å; K110-N113 PolarHBondContact O-N 3.27Å; N113-I115 VanDerWaalsContact C-N 3.34Å; N113-I115 PolarHBondContact O-N 3.19Å; N113-L116 PolarHBondContact O-N 3.37Å; N113-D117 WeakPolarHBondContact O-CB 3.23Å; N113-D117 PolarHBondContact O-N 3.47Å |
| 114 | S | 83.9 | Confident | 77.9 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | K110 S111 Y118 | K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.36Å; K110-S114 PolarHBondContact O-N 3.33Å; S111-S114 PolarHBondContact O-N 3.45Å; S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.18Å; S114-Y118 PolarHBondContact O-N 3.05Å |
| 115 | I | 83.4 | Confident | 77.7 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 176.2 | -70 | 166.1 | 0 | 0 | 0 | 110.5 | K73 I76 Y92 L95 S111 I112 N113 D117 Y118 I119 | K73-I115 HydrophobicContact CG-CD1 4.32Å; I76-I115 HydrophobicContact CD1-CD1 4.23Å; I76-I115 HydrophobicContact CG2-CG2 4.06Å; Y92-I115 HydrophobicContact CD2-CG2 4.38Å; Y92-I115 HydrophobicContact CE2-CD1 4.47Å; Y92-I115 HydrophobicContact CE2-CG2 3.99Å; L95-I115 HydrophobicContact CD1-CD1 4.04Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 WeakPolarHBondContact O-CD1 3.49Å; S111-I115 WeakPolarHBondContact O-CG1 3.47Å; S111-I115 PolarHBondContact O-N 3.05Å; I112-I115 PolarHBondContact O-N 3.08Å; N113-I115 VanDerWaalsContact C-N 3.34Å; N113-I115 PolarHBondContact O-N 3.19Å; I115-D117 VanDerWaalsContact C-N 3.35Å; I115-D117 PolarHBondContact O-N 3.41Å; I115-Y118 PolarHBondContact O-N 3.25Å; I115-I119 HydrophobicContact CG2-CD1 3.44Å; I115-I119 VanDerWaalsContact CG2-CD1 3.44Å; I115-I119 HydrophobicContact CG2-CG1 4.18Å; I115-I119 WeakPolarHBondContact O-CG1 3.27Å; I115-I119 PolarHBondContact O-N 2.97Å |
| 116 | L | 81.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | -179.9 | -72.6 | 173.1 | 0 | 0 | 0 | 112 | I112 N113 I119 S120 Y132 T151 | I112-L116 HydrophobicContact CG2-CD1 3.7Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.27Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.12Å; N113-L116 PolarHBondContact O-N 3.37Å; L116-I119 PolarHBondContact O-N 3.41Å; L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 3.06Å; L116-Y132 HydrophobicContact CD1-CD1 4.41Å; L116-Y132 HydrophobicContact CD1-CE1 3.82Å; L116-Y132 HydrophobicContact CD2-CD1 4.25Å; L116-Y132 HydrophobicContact CD2-CE1 3.94Å; L116-Y132 HydrophobicContact CD2-CE2 4.35Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; L116-T151 HydrophobicContact CD1-CG2 4.48Å |
| 117 | D | 80.9 | Confident | 78 | Confident | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 176.4 | -66.2 | -27.6 | 0 | 0 | 0 | 110.6 | N113 I115 S120 T121 K154 | N113-D117 WeakPolarHBondContact O-CB 3.23Å; N113-D117 PolarHBondContact O-N 3.47Å; I115-D117 VanDerWaalsContact C-N 3.35Å; I115-D117 PolarHBondContact O-N 3.41Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.96Å; D117-T121 PolarHBondContact O-N 2.97Å; D117-T121 PolarHBondContact O-OG1 3.05Å; D117-K154 IonicContact OD1-NZ 3.9Å; D117-K154 PolarHBondContact OD1-NZ 3.5Å; D117-K154 IonicContact OD2-NZ 2.78Å |
| 118 | Y | 80.4 | Confident | 78 | Confident | 102 Ų | 102 | 55 Ų | 55 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 175.4 | -165.8 | -111.6 | 0 | 0 | 0 | 112.8 | K77 F80 S114 I115 S120 T121 | K77-Y118 HydrophobicContact CG-CE1 4.49Å; F80-Y118 HydrophobicContact CB-CE1 4.35Å; F80-Y118 AromaticContact CD1-CD1 3.73Å; F80-Y118 HydrophobicContact CD1-CD1 3.73Å; F80-Y118 AromaticContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CE1-CD1 4Å; F80-Y118 AromaticContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CG-CD1 4.34Å; F80-Y118 HydrophobicContact CG-CE1 4.14Å; S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.18Å; S114-Y118 PolarHBondContact O-N 3.05Å; I115-Y118 PolarHBondContact O-N 3.25Å; Y118-S120 VanDerWaalsContact C-N 3.34Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.9Å |
| 119 | I | 80.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.8 | -30.3 | 176.3 | -59.6 | 167.4 | 0 | 0 | 0 | 110.7 | F80 M88 I115 L116 T121 S122 L128 F131 | F80-I119 HydrophobicContact CD2-CG1 4.33Å; F80-I119 HydrophobicContact CE2-CB 4.34Å; F80-I119 HydrophobicContact CE2-CG1 4.29Å; F80-I119 HydrophobicContact CE2-CG2 4.13Å; M88-I119 HydrophobicContact CE-CD1 3.71Å; M88-I119 HydrophobicContact CE-CG1 3.77Å; I115-I119 HydrophobicContact CG2-CD1 3.44Å; I115-I119 VanDerWaalsContact CG2-CD1 3.44Å; I115-I119 HydrophobicContact CG2-CG1 4.18Å; I115-I119 WeakPolarHBondContact O-CG1 3.27Å; I115-I119 PolarHBondContact O-N 2.97Å; L116-I119 PolarHBondContact O-N 3.41Å; I119-T121 PolarHBondContact O-N 3.44Å; I119-S122 WeakPolarHBondContact O-CA 3.4Å; I119-S122 WeakPolarHBondContact O-CB 3.45Å; I119-S122 PolarHBondContact O-N 3.19Å; I119-L128 HydrophobicContact CB-CD1 4.26Å; I119-L128 HydrophobicContact CG2-CD1 3.79Å; I119-F131 HydrophobicContact CD1-CD1 3.95Å; I119-F131 HydrophobicContact CD1-CE1 4.02Å; I119-F131 HydrophobicContact CD1-CG 4.25Å; I119-F131 HydrophobicContact CD1-CZ 4.42Å |
| 120 | S | 73.5 | Confident | 78.5 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -19.1 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 113 | L116 D117 Y118 | L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 3.06Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.96Å; Y118-S120 VanDerWaalsContact C-N 3.34Å |
| 121 | T | 76.9 | Confident | 78.5 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 72% | 0.724 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.6 | 169.7 | -50.3 | 0 | 0 | 0 | 0 | 112 | D117 Y118 I119 | D117-T121 PolarHBondContact O-N 2.97Å; D117-T121 PolarHBondContact O-OG1 3.05Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.9Å; I119-T121 PolarHBondContact O-N 3.44Å |
| 122 | S | 70.7 | Confident | 78.6 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.1 | 139.9 | 173 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | I119 Q124 | I119-S122 WeakPolarHBondContact O-CA 3.4Å; I119-S122 WeakPolarHBondContact O-CB 3.45Å; I119-S122 PolarHBondContact O-N 3.19Å; S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.33Å |
| 123 | K | 63.8 | Low | 78.7 | Confident | 204 Ų | 204 | 55.1 Ų | 55.1 | 89% | 0.887 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -77.2 | -4.4 | 174.4 | -63.8 | -173.2 | 177.8 | -177.8 | 0 | 113.8 | M125 | K123-M125 PolarHBondContact O-N 3.45Š|
| 124 | Q | 71.6 | Confident | 78.8 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | trans | -85.8 | 90.7 | -177.8 | -69.9 | -169.6 | -30.6 | 0 | 0 | 111.9 | S122 D126 L127 L128 | S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.33Å; Q124-D126 PolarHBondContact O-N 3.09Å; Q124-L127 HydrophobicContact CB-CB 4.14Å; Q124-L127 PolarHBondContact O-N 3.36Å; Q124-L128 PolarHBondContact O-N 2.92Å | ||
| 125 | M | 71.4 | Confident | 78.8 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | -178.3 | -61.6 | -179.2 | 79.5 | 0 | 0 | 113.6 | K123 L127 L128 Q129 E161 | K123-M125 PolarHBondContact O-N 3.45Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.19Å; M125-L128 PolarHBondContact O-N 3.36Å; M125-Q129 PolarHBondContact O-N 3.36Å; M125-E161 HydrophobicContact CE-CB 3.99Å |
| 126 | D | 77.8 | Confident | 78.8 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 57% | 0.572 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 179 | -69.7 | -46.9 | 0 | 0 | 0 | 112.1 | Q124 E130 R162 | Q124-D126 PolarHBondContact O-N 3.09Å; D126-E130 PolarHBondContact O-N 3.42Å; D126-R162 IonicContact OD1-CZ 3.2Å; D126-R162 IonicContact OD1-NH1 2.73Å; D126-R162 PolarHBondContact OD1-NH1 3.26Å; D126-R162 IonicContact OD1-NH2 3.2Å; D126-R162 PolarHBondContact OD1-NH2 3.05Å |
| 127 | L | 78.3 | Confident | 78.8 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.4 | -48.2 | 176.6 | -173.2 | 75.2 | 0 | 0 | 0 | 110.5 | F85 Q124 M125 Q129 E130 F131 | F85-L127 HydrophobicContact CB-CD1 3.63Å; F85-L127 HydrophobicContact CB-CD2 3.93Å; F85-L127 HydrophobicContact CB-CG 4.42Å; F85-L127 HydrophobicContact CD1-CD1 4.48Å; F85-L127 HydrophobicContact CD1-CD2 3.15Å; F85-L127 HydrophobicContact CD1-CG 4.39Å; F85-L127 HydrophobicContact CE1-CD2 3.7Å; F85-L127 HydrophobicContact CG-CD1 4.2Å; F85-L127 HydrophobicContact CG-CD2 3.64Å; Q124-L127 HydrophobicContact CB-CB 4.14Å; Q124-L127 PolarHBondContact O-N 3.36Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.19Å; L127-Q129 PolarHBondContact O-N 2.94Å; L127-E130 PolarHBondContact O-N 2.73Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.82Å; L127-F131 HydrophobicContact CD2-CD2 4.4Å; L127-F131 HydrophobicContact CD2-CE2 3.93Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.3Å |
| 128 | L | 80.3 | Confident | 78.7 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -40.9 | -179.6 | -172.7 | 62.7 | 0 | 0 | 0 | 111.2 | I119 Q124 M125 F131 Y132 L158 | I119-L128 HydrophobicContact CB-CD1 4.26Å; I119-L128 HydrophobicContact CG2-CD1 3.79Å; Q124-L128 PolarHBondContact O-N 2.92Å; M125-L128 PolarHBondContact O-N 3.36Å; L128-F131 PolarHBondContact O-N 3.02Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.5Å; L128-Y132 VanDerWaalsContact CD1-CE2 3.5Å; L128-Y132 HydrophobicContact CD2-CE2 4.12Å; L128-Y132 HydrophobicContact CG-CD2 3.82Å; L128-Y132 HydrophobicContact CG-CE2 3.55Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 2.7Å; L128-L158 HydrophobicContact CD2-CD1 3.63Å; L128-L158 HydrophobicContact CD2-CD2 3.74Å; L128-L158 HydrophobicContact CD2-CG 4.35Å; L128-L158 HydrophobicContact CG-CD1 3.79Å |
| 129 | Q | 80.8 | Confident | 78.5 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 173.6 | 171.2 | 169.5 | -12.5 | 0 | 0 | 112.6 | M125 L127 F131 Y132 E133 Y159 | M125-Q129 PolarHBondContact O-N 3.36Å; L127-Q129 PolarHBondContact O-N 2.94Å; Q129-F131 VanDerWaalsContact C-N 3.29Å; Q129-F131 PolarHBondContact O-N 3.49Å; Q129-Y132 PolarHBondContact O-N 2.99Å; Q129-E133 HydrophobicContact CG-CG 4.45Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3Å; Q129-E133 PolarHBondContact O-N 3.31Å; Q129-Y159 PolarHBondContact NE2-OH 2.73Å |
| 130 | E | 83.1 | Confident | 78.2 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | -179.9 | -154.1 | -167.1 | 152.4 | 0 | 0 | 111.4 | M89 D126 L127 E133 T134 | M89-E130 HydrophobicContact CE-CB 3.66Å; M89-E130 VanDerWaalsContact CE-CD 3.42Å; M89-E130 HydrophobicContact CE-CG 3.41Å; M89-E130 VanDerWaalsContact CE-CG 3.41Å; M89-E130 WeakPolarHBondContact CE-O 3.5Å; M89-E130 WeakPolarHBondContact CE-OE1 3.21Å; D126-E130 PolarHBondContact O-N 3.42Å; L127-E130 PolarHBondContact O-N 2.73Å; E130-E133 PolarHBondContact O-N 2.89Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 WeakPolarHBondContact O-CG2 3.42Å; E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 3.27Å |
| 131 | F | 83.2 | Confident | 78 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 173.3 | -86.2 | -86.4 | 0 | 0 | 0 | 111.4 | M88 M89 Y92 I119 L127 L128 Q129 E133 T134 T135 | M88-F131 HydrophobicContact CB-CZ 4.33Å; M88-F131 HydrophobicContact CE-CZ 4.38Å; M88-F131 HydrophobicContact CG-CE1 4.36Å; M88-F131 HydrophobicContact CG-CZ 3.74Å; M88-F131 HydrophobicContact SD-CE1 4.31Å; M88-F131 HydrophobicContact SD-CE2 3.98Å; M88-F131 HydrophobicContact SD-CZ 3.47Å; M88-F131 WeakPolarHBondContact SD-CZ 3.37Å; M89-F131 HydrophobicContact CB-CZ 4.32Å; M89-F131 HydrophobicContact CE-CD2 4.28Å; M89-F131 HydrophobicContact CE-CE2 4.44Å; M89-F131 HydrophobicContact CE-CG 4.36Å; M89-F131 HydrophobicContact SD-CD1 4.43Å; M89-F131 HydrophobicContact SD-CE1 4.27Å; M89-F131 HydrophobicContact SD-CZ 4.37Å; Y92-F131 AromaticContact CD1-CD1 3.64Å; Y92-F131 HydrophobicContact CD1-CD1 3.64Å; Y92-F131 AromaticContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD2-CD1 4.17Å; Y92-F131 HydrophobicContact CD2-CE1 4.02Å; Y92-F131 AromaticContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE2-CD1 4.44Å; Y92-F131 AromaticContact CG-CD1 3.78Å; Y92-F131 HydrophobicContact CG-CD1 3.78Å; Y92-F131 AromaticContact CG-CE1 3.57Å; Y92-F131 HydrophobicContact CG-CE1 3.57Å; I119-F131 HydrophobicContact CD1-CD1 3.95Å; I119-F131 HydrophobicContact CD1-CE1 4.02Å; I119-F131 HydrophobicContact CD1-CG 4.25Å; I119-F131 HydrophobicContact CD1-CZ 4.42Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.82Å; L127-F131 HydrophobicContact CD2-CD2 4.4Å; L127-F131 HydrophobicContact CD2-CE2 3.93Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.3Å; L128-F131 PolarHBondContact O-N 3.02Å; Q129-F131 VanDerWaalsContact C-N 3.29Å; Q129-F131 PolarHBondContact O-N 3.49Å; F131-E133 PolarHBondContact O-N 3.45Å; F131-T134 PolarHBondContact O-OG1 3.29Å; F131-T135 VanDerWaalsContact O-CB 3.31Å; F131-T135 WeakPolarHBondContact O-CB 3.11Å; F131-T135 PolarHBondContact O-N 3Å; F131-T135 PolarHBondContact O-OG1 3.08Å |
| 132 | Y | 83.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.9 | -83.7 | -71.9 | 0 | 0 | 0 | 112.4 | L116 L128 Q129 T135 L136 T151 K154 L155 L158 | L116-Y132 HydrophobicContact CD1-CD1 4.41Å; L116-Y132 HydrophobicContact CD1-CE1 3.82Å; L116-Y132 HydrophobicContact CD2-CD1 4.25Å; L116-Y132 HydrophobicContact CD2-CE1 3.94Å; L116-Y132 HydrophobicContact CD2-CE2 4.35Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.5Å; L128-Y132 VanDerWaalsContact CD1-CE2 3.5Å; L128-Y132 HydrophobicContact CD2-CE2 4.12Å; L128-Y132 HydrophobicContact CG-CD2 3.82Å; L128-Y132 HydrophobicContact CG-CE2 3.55Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 2.7Å; Q129-Y132 PolarHBondContact O-N 2.99Å; Y132-T135 PolarHBondContact O-N 2.94Å; Y132-L136 WeakPolarHBondContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CD1 3.46Å; Y132-L136 WeakPolarHBondContact O-CG 3.37Å; Y132-L136 PolarHBondContact O-N 2.71Å; Y132-T151 HydrophobicContact CD1-CG2 3.55Å; Y132-T151 HydrophobicContact CE1-CG2 4.05Å; Y132-K154 HydrophobicContact CE1-CB 3.73Å; Y132-K154 HydrophobicContact CE1-CD 4.24Å; Y132-K154 VanDerWaalsContact OH-CD 3.31Å; Y132-K154 WeakPolarHBondContact OH-CD 3.46Å; Y132-L155 HydrophobicContact CD1-CB 4.42Å; Y132-L155 HydrophobicContact CG-CB 4.33Å; Y132-L155 HydrophobicContact CG-CD1 4.38Å; Y132-L158 HydrophobicContact CD2-CD1 3.47Å; Y132-L158 VanDerWaalsContact CD2-CD1 3.47Å; Y132-L158 HydrophobicContact CE2-CD1 3.44Å; Y132-L158 VanDerWaalsContact CE2-CD1 3.44Å |
| 133 | E | 84.6 | Confident | 77.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -49 | 179.1 | -72.7 | 177.4 | -174.6 | 0 | 0 | 112.1 | Q129 E130 F131 T135 L136 E137 L155 Y159 | Q129-E133 HydrophobicContact CG-CG 4.45Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3Å; Q129-E133 PolarHBondContact O-N 3.31Å; E130-E133 PolarHBondContact O-N 2.89Å; F131-E133 PolarHBondContact O-N 3.45Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.13Å; E133-L136 PolarHBondContact O-N 3.23Å; E133-E137 PolarHBondContact O-N 3.44Å; E133-L155 HydrophobicContact CG-CD2 4.4Å; E133-Y159 PolarHBondContact OE1-OH 2.97Å |
| 134 | T | 84.9 | Confident | 77.6 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | M89 E130 F131 E137 A138 | M89-T134 HydrophobicContact CE-CG2 3.82Å; M89-T134 HydrophobicContact SD-CG2 4.11Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 WeakPolarHBondContact O-CG2 3.42Å; E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 3.27Å; F131-T134 PolarHBondContact O-OG1 3.29Å; T134-E137 PolarHBondContact O-N 3.38Å; T134-A138 PolarHBondContact O-N 3.15Å |
| 135 | T | 84.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 173.2 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | Y92 L96 I112 F131 Y132 E133 E137 A138 L139 T151 | Y92-T135 VanDerWaalsContact CE1-OG1 3.26Å; Y92-T135 WeakPolarHBondContact CE1-OG1 3.39Å; Y92-T135 WeakPolarHBondContact OH-CG2 3.32Å; Y92-T135 PolarHBondContact OH-OG1 3.36Å; L96-T135 HydrophobicContact CD2-CG2 4.44Å; I112-T135 HydrophobicContact CG2-CG2 3.96Å; F131-T135 VanDerWaalsContact O-CB 3.31Å; F131-T135 WeakPolarHBondContact O-CB 3.11Å; F131-T135 PolarHBondContact O-N 3Å; F131-T135 PolarHBondContact O-OG1 3.08Å; Y132-T135 PolarHBondContact O-N 2.94Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.13Å; T135-E137 PolarHBondContact O-N 3.33Å; T135-A138 PolarHBondContact O-N 3.17Å; T135-L139 HydrophobicContact CG2-CD1 3.67Å; T135-L139 HydrophobicContact CG2-CG 4.11Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 WeakPolarHBondContact O-CG 3.29Å; T135-L139 PolarHBondContact O-N 3.47Å; T135-T151 HydrophobicContact CG2-CG2 4.23Å |
| 136 | L | 81.6 | Confident | 77.8 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | -178 | -74.8 | 167.7 | 0 | 0 | 0 | 112.8 | Y132 E133 L139 K140 T151 N152 L155 | Y132-L136 WeakPolarHBondContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CD1 3.46Å; Y132-L136 WeakPolarHBondContact O-CG 3.37Å; Y132-L136 PolarHBondContact O-N 2.71Å; E133-L136 PolarHBondContact O-N 3.23Å; L136-L139 PolarHBondContact O-N 3.25Å; L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.06Å; L136-T151 HydrophobicContact CD1-CG2 4.5Å; L136-T151 HydrophobicContact CD2-CG2 3.71Å; L136-T151 HydrophobicContact CG-CG2 3.79Å; L136-N152 WeakPolarHBondContact CD1-OD1 3.46Å; L136-N152 HydrophobicContact CD2-CB 4.39Å; L136-N152 WeakPolarHBondContact CD2-ND2 3.24Å; L136-N152 WeakPolarHBondContact CD2-OD1 3.5Å; L136-L155 HydrophobicContact CD1-CD2 3.46Å; L136-L155 VanDerWaalsContact CD1-CD2 3.46Å |
| 137 | E | 82.2 | Confident | 77.7 | Confident | 133 Ų | 133 | 52.6 Ų | 52.6 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 173.5 | -73 | 179.2 | 174.8 | 0 | 0 | 111.5 | E133 T134 T135 L139 | E133-E137 PolarHBondContact O-N 3.44Å; T134-E137 PolarHBondContact O-N 3.38Å; T135-E137 PolarHBondContact O-N 3.33Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.17Å |
| 138 | A | 79.6 | Confident | 78 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L96 T134 T135 D141 A142 | L96-A138 HydrophobicContact CB-CB 3.84Å; L96-A138 HydrophobicContact CD1-CB 3.74Å; L96-A138 HydrophobicContact CD2-CB 4.14Å; L96-A138 HydrophobicContact CG-CB 4.11Å; T134-A138 PolarHBondContact O-N 3.15Å; T135-A138 PolarHBondContact O-N 3.17Å; A138-D141 VanDerWaalsContact O-CB 3.31Å; A138-D141 WeakPolarHBondContact O-CB 3.4Å; A138-D141 PolarHBondContact O-N 3.09Å; A138-A142 PolarHBondContact O-N 3.06Å |
| 139 | L | 75.9 | Confident | 78.1 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.8 | -32.5 | -179.6 | -72.9 | 175.9 | 0 | 0 | 0 | 113.8 | T135 L136 E137 D141 A142 K143 L147 T151 | T135-L139 HydrophobicContact CG2-CD1 3.67Å; T135-L139 HydrophobicContact CG2-CG 4.11Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 WeakPolarHBondContact O-CG 3.29Å; T135-L139 PolarHBondContact O-N 3.47Å; L136-L139 PolarHBondContact O-N 3.25Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.17Å; L139-D141 PolarHBondContact O-N 2.78Å; L139-A142 PolarHBondContact O-N 3.34Å; L139-K143 PolarHBondContact O-N 2.99Å; L139-L147 HydrophobicContact CD1-CD2 3.99Å; L139-L147 HydrophobicContact CD1-CG 3.71Å; L139-L147 HydrophobicContact CD2-CD2 3.54Å; L139-L147 HydrophobicContact CD2-CG 4.1Å; L139-L147 HydrophobicContact CG-CD2 4.42Å; L139-T151 HydrophobicContact CD1-CG2 4.49Å |
| 140 | K | 73.1 | Confident | 78.2 | Confident | 115 Ų | 115 | 56 Ų | 56 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.1 | -38.4 | 170.2 | -79.5 | 174.3 | -178.2 | 176.7 | 0 | 110.9 | L136 A142 | L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.06Å; K140-A142 VanDerWaalsContact C-N 3.34Å |
| 141 | D | 69 | Low | 78.2 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.9 | -178.7 | -103.6 | 30.2 | 0 | 0 | 0 | 113.8 | R100 A138 L139 | R100-D141 IonicContact CZ-OD2 2.73Å; R100-D141 PolarHBondContact NE-O 3.31Å; R100-D141 IonicContact NH1-OD2 3.77Å; R100-D141 PolarHBondContact NH2-O 3.23Å; R100-D141 IonicContact NH2-OD1 3.23Å; R100-D141 IonicContact NH2-OD2 3.54Å; R100-D141 PolarHBondContact NH2-OD2 3.4Å; A138-D141 VanDerWaalsContact O-CB 3.31Å; A138-D141 WeakPolarHBondContact O-CB 3.4Å; A138-D141 PolarHBondContact O-N 3.09Å; L139-D141 PolarHBondContact O-N 2.78Å |
| 142 | A | 66.8 | Low | 78.4 | Confident | 19 Ų | 19 | 52 Ų | 52 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -5.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I99 A138 L139 K140 N144 | I99-A142 HydrophobicContact CG2-CB 3.95Å; A138-A142 PolarHBondContact O-N 3.06Å; L139-A142 PolarHBondContact O-N 3.34Å; K140-A142 VanDerWaalsContact C-N 3.34Å; A142-N144 VanDerWaalsContact C-N 3.31Å; A142-N144 PolarHBondContact O-N 3.49Å |
| 143 | K | 67.5 | Low | 78.6 | Confident | 179 Ų | 179 | 52.1 Ų | 52.1 | 78% | 0.778 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 42.9 | -178.8 | -62.5 | -171.5 | 176.6 | -173.7 | 0 | 114 | L139 | L139-K143 PolarHBondContact O-N 2.99Š|
| 144 | N | 69.3 | Low | 78.6 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | trans | -101.2 | 88.6 | 172.8 | -170.2 | -8.6 | 0 | 0 | 0 | 110.4 | A142 R146 L147 W148 | A142-N144 VanDerWaalsContact C-N 3.31Å; A142-N144 PolarHBondContact O-N 3.49Å; N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.28Å; N144-L147 HydrophobicContact CB-CB 4.36Å; N144-L147 PolarHBondContact O-N 3.32Å; N144-W148 WeakPolarHBondContact O-CB 3.44Å; N144-W148 PolarHBondContact O-N 3.02Å | ||
| 145 | D | 71.7 | Confident | 78.6 | Confident | 118 Ų | 118 | 51 Ų | 51 | 63% | 0.631 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.3 | -37.4 | -172.9 | -60.3 | -26.6 | 0 | 0 | 0 | 113.1 | F149 | D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 3.39Å |
| 146 | R | 75.9 | Confident | 78.8 | Confident | 150 Ų | 150 | 51 Ų | 51 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69 | -48.4 | -177.7 | -172.2 | -173.7 | -170.6 | -169.2 | 2.9 | 111.9 | N144 F149 K150 | N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.28Å; R146-F149 PolarHBondContact O-N 3.28Å; R146-K150 PolarHBondContact O-N 3.44Å; R146-K150 VanDerWaalsContact O-N 3.09Å |
| 147 | L | 76.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | 179.1 | -178.1 | 56.3 | 0 | 0 | 0 | 110.4 | E109 I112 L139 N144 F149 K150 T151 | E109-L147 HydrophobicContact CB-CD2 4.22Å; E109-L147 HydrophobicContact CG-CB 4.4Å; E109-L147 HydrophobicContact CG-CD1 4.12Å; E109-L147 HydrophobicContact CG-CD2 4.23Å; E109-L147 HydrophobicContact CG-CG 4.48Å; I112-L147 HydrophobicContact CB-CD2 4.49Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD1 4.45Å; I112-L147 HydrophobicContact CG2-CD2 4.42Å; L139-L147 HydrophobicContact CD1-CD2 3.99Å; L139-L147 HydrophobicContact CD1-CG 3.71Å; L139-L147 HydrophobicContact CD2-CD2 3.54Å; L139-L147 HydrophobicContact CD2-CG 4.1Å; L139-L147 HydrophobicContact CG-CD2 4.42Å; N144-L147 HydrophobicContact CB-CB 4.36Å; N144-L147 PolarHBondContact O-N 3.32Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.31Å; L147-K150 PolarHBondContact O-N 3.15Å; L147-T151 VanDerWaalsContact O-CB 3.29Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 3.43Å |
| 148 | W | 83.4 | Confident | 79.2 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.5 | -44.8 | 174.6 | -179.7 | 87.6 | 0 | 0 | 0 | 112 | N144 N152 Q174 L175 | N144-W148 WeakPolarHBondContact O-CB 3.44Å; N144-W148 PolarHBondContact O-N 3.02Å; W148-N152 WeakPolarHBondContact CZ2-ND2 3.46Å; W148-N152 PolarHBondContact NE1-ND2 3.06Å; W148-N152 WeakPolarHBondContact O-CB 3.43Å; W148-N152 PolarHBondContact O-N 2.86Å; W148-N152 PolarHBondContact O-ND2 3.41Å; W148-N152 VanDerWaalsContact O-ND2 3.09Å; W148-Q174 HydrophobicContact CH2-CB 4.25Å; W148-Q174 HydrophobicContact CZ2-CB 4.39Å; W148-L175 HydrophobicContact CH2-CD2 4.23Å; W148-L175 HydrophobicContact CZ3-CD2 3.88Å |
| 149 | F | 83.5 | Confident | 79.6 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.022 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -53.7 | 176.2 | -176 | -89.1 | 0 | 0 | 0 | 111.6 | D145 R146 L147 T151 N152 T153 L175 Q193 E196 I197 | D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 3.39Å; R146-F149 PolarHBondContact O-N 3.28Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.31Å; F149-T151 VanDerWaalsContact C-N 3.34Å; F149-T151 PolarHBondContact O-N 2.85Å; F149-N152 PolarHBondContact O-N 3.26Å; F149-T153 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T153 PolarHBondContact O-N 3.33Å; F149-T153 PolarHBondContact O-OG1 2.94Å; F149-L175 HydrophobicContact CD2-CD2 3.67Å; F149-L175 HydrophobicContact CE2-CD2 3.9Å; F149-L175 HydrophobicContact CG-CD2 4.41Å; F149-Q193 HydrophobicContact CD1-CG 4.02Å; F149-Q193 HydrophobicContact CD2-CB 4.36Å; F149-Q193 HydrophobicContact CD2-CG 4.45Å; F149-Q193 HydrophobicContact CE1-CB 3.88Å; F149-Q193 HydrophobicContact CE1-CG 3.73Å; F149-Q193 HydrophobicContact CE2-CB 3.7Å; F149-Q193 HydrophobicContact CE2-CG 4.19Å; F149-Q193 HydrophobicContact CG-CG 4.4Å; F149-Q193 HydrophobicContact CZ-CB 3.45Å; F149-Q193 VanDerWaalsContact CZ-CB 3.45Å; F149-Q193 HydrophobicContact CZ-CG 3.85Å; F149-Q193 WeakPolarHBondContact CZ-O 3.37Å; F149-E196 WeakPolarHBondContact CE1-OE2 3.1Å; F149-E196 HydrophobicContact CZ-CB 4.36Å; F149-I197 HydrophobicContact CE2-CD1 3.88Å; F149-I197 HydrophobicContact CE2-CG1 3.96Å; F149-I197 HydrophobicContact CZ-CD1 4.41Å; F149-I197 HydrophobicContact CZ-CG1 4.08Å |
| 150 | K | 82.3 | Confident | 80.1 | Confident | 78 Ų | 78 | 50.8 Ų | 50.8 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | -179.9 | -76.7 | -178.4 | 174.4 | -178.2 | 0 | 112.7 | R146 L147 T153 K154 | R146-K150 PolarHBondContact O-N 3.44Å; R146-K150 VanDerWaalsContact O-N 3.09Å; L147-K150 PolarHBondContact O-N 3.15Å; K150-T153 PolarHBondContact O-N 3.29Å; K150-K154 WeakPolarHBondContact O-CG 3.44Å; K150-K154 PolarHBondContact O-N 3.44Å |
| 151 | T | 84.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | -179.7 | -60 | 0 | 0 | 0 | 0 | 110.9 | L116 Y132 T135 L136 L139 L147 F149 K154 L155 | L116-T151 HydrophobicContact CD1-CG2 4.48Å; Y132-T151 HydrophobicContact CD1-CG2 3.55Å; Y132-T151 HydrophobicContact CE1-CG2 4.05Å; T135-T151 HydrophobicContact CG2-CG2 4.23Å; L136-T151 HydrophobicContact CD1-CG2 4.5Å; L136-T151 HydrophobicContact CD2-CG2 3.71Å; L136-T151 HydrophobicContact CG-CG2 3.79Å; L139-T151 HydrophobicContact CD1-CG2 4.49Å; L147-T151 VanDerWaalsContact O-CB 3.29Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 3.43Å; F149-T151 VanDerWaalsContact C-N 3.34Å; F149-T151 PolarHBondContact O-N 2.85Å; T151-K154 PolarHBondContact O-N 3.19Å; T151-L155 WeakPolarHBondContact O-CB 3.38Å; T151-L155 PolarHBondContact O-N 3.3Å |
| 152 | N | 86.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 173.5 | -87.2 | -51.3 | 0 | 0 | 0 | 113 | L136 W148 F149 L155 G156 I171 L175 | L136-N152 WeakPolarHBondContact CD1-OD1 3.46Å; L136-N152 HydrophobicContact CD2-CB 4.39Å; L136-N152 WeakPolarHBondContact CD2-ND2 3.24Å; L136-N152 WeakPolarHBondContact CD2-OD1 3.5Å; W148-N152 WeakPolarHBondContact CZ2-ND2 3.46Å; W148-N152 PolarHBondContact NE1-ND2 3.06Å; W148-N152 WeakPolarHBondContact O-CB 3.43Å; W148-N152 PolarHBondContact O-N 2.86Å; W148-N152 PolarHBondContact O-ND2 3.41Å; W148-N152 VanDerWaalsContact O-ND2 3.09Å; F149-N152 PolarHBondContact O-N 3.26Å; N152-L155 PolarHBondContact O-N 2.99Å; N152-G156 PolarHBondContact O-N 3.06Å; N152-I171 HydrophobicContact CB-CG2 4.16Å; N152-L175 HydrophobicContact CB-CD1 4.23Å; N152-L175 HydrophobicContact CB-CD2 3.62Å; N152-L175 HydrophobicContact CB-CG 4.12Å |
| 153 | T | 87.2 | Confident | 82.5 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | F149 K150 G156 K157 L200 | F149-T153 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T153 PolarHBondContact O-N 3.33Å; F149-T153 PolarHBondContact O-OG1 2.94Å; K150-T153 PolarHBondContact O-N 3.29Å; T153-G156 PolarHBondContact O-N 2.83Å; T153-K157 WeakPolarHBondContact O-CG 3.42Å; T153-K157 PolarHBondContact O-N 3.36Å; T153-L200 HydrophobicContact CG2-CD1 3.86Å |
| 154 | K | 84.8 | Confident | 83.5 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 173.7 | -73.4 | -171.9 | -178.6 | -178.3 | 0 | 111.7 | D117 Y132 K150 T151 G156 K157 L158 | D117-K154 IonicContact OD1-NZ 3.9Å; D117-K154 PolarHBondContact OD1-NZ 3.5Å; D117-K154 IonicContact OD2-NZ 2.78Å; Y132-K154 HydrophobicContact CE1-CB 3.73Å; Y132-K154 HydrophobicContact CE1-CD 4.24Å; Y132-K154 VanDerWaalsContact OH-CD 3.31Å; Y132-K154 WeakPolarHBondContact OH-CD 3.46Å; K150-K154 WeakPolarHBondContact O-CG 3.44Å; K150-K154 PolarHBondContact O-N 3.44Å; T151-K154 PolarHBondContact O-N 3.19Å; K154-G156 VanDerWaalsContact C-N 3.28Å; K154-G156 PolarHBondContact O-N 2.9Å; K154-K157 WeakPolarHBondContact O-CB 3.39Å; K154-K157 PolarHBondContact O-N 3.25Å; K154-L158 PolarHBondContact O-N 2.94Å; K154-L158 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 85.7 | Confident | 84.5 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 174.9 | -178.6 | 58.8 | 0 | 0 | 0 | 112.1 | Y132 E133 L136 T151 N152 L158 Y159 I171 | Y132-L155 HydrophobicContact CD1-CB 4.42Å; Y132-L155 HydrophobicContact CG-CB 4.33Å; Y132-L155 HydrophobicContact CG-CD1 4.38Å; E133-L155 HydrophobicContact CG-CD2 4.4Å; L136-L155 HydrophobicContact CD1-CD2 3.46Å; L136-L155 VanDerWaalsContact CD1-CD2 3.46Å; T151-L155 WeakPolarHBondContact O-CB 3.38Å; T151-L155 PolarHBondContact O-N 3.3Å; N152-L155 PolarHBondContact O-N 2.99Å; L155-L158 PolarHBondContact O-N 3.2Å; L155-Y159 HydrophobicContact CD1-CD2 4.07Å; L155-Y159 HydrophobicContact CD1-CE2 3.64Å; L155-Y159 HydrophobicContact CD2-CE2 3.97Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.58Å; L155-Y159 VanDerWaalsContact O-CD2 3.31Å; L155-Y159 WeakPolarHBondContact O-CD2 3.36Å; L155-Y159 PolarHBondContact O-N 2.97Å; L155-I171 HydrophobicContact CD2-CD1 3.7Å; L155-I171 HydrophobicContact CG-CD1 3.85Å |
| 156 | G | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N152 T153 K154 Y159 L160 L168 | N152-G156 PolarHBondContact O-N 3.06Å; T153-G156 PolarHBondContact O-N 2.83Å; K154-G156 VanDerWaalsContact C-N 3.28Å; K154-G156 PolarHBondContact O-N 2.9Å; G156-Y159 PolarHBondContact O-N 3.36Å; G156-L160 PolarHBondContact O-N 3.3Å; G156-L168 WeakPolarHBondContact O-CD1 3.22Å |
| 157 | K | 86.8 | Confident | 85.9 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.8 | -68.7 | 176.1 | -177.4 | 179.9 | 0 | 112.1 | T153 K154 Y159 L160 E161 L200 | T153-K157 WeakPolarHBondContact O-CG 3.42Å; T153-K157 PolarHBondContact O-N 3.36Å; K154-K157 WeakPolarHBondContact O-CB 3.39Å; K154-K157 PolarHBondContact O-N 3.25Å; K157-Y159 VanDerWaalsContact C-N 3.35Å; K157-Y159 PolarHBondContact O-N 3.47Å; K157-L160 WeakPolarHBondContact O-CB 3.35Å; K157-L160 PolarHBondContact O-N 3.13Å; K157-E161 PolarHBondContact O-N 2.64Å; K157-L200 HydrophobicContact CG-CD2 3.65Å |
| 158 | L | 85.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 175 | -68.6 | 173.3 | 0 | 0 | 0 | 112.5 | L128 Y132 K154 L155 L160 E161 R162 | L128-L158 HydrophobicContact CD2-CD1 3.63Å; L128-L158 HydrophobicContact CD2-CD2 3.74Å; L128-L158 HydrophobicContact CD2-CG 4.35Å; L128-L158 HydrophobicContact CG-CD1 3.79Å; Y132-L158 HydrophobicContact CD2-CD1 3.47Å; Y132-L158 VanDerWaalsContact CD2-CD1 3.47Å; Y132-L158 HydrophobicContact CE2-CD1 3.44Å; Y132-L158 VanDerWaalsContact CE2-CD1 3.44Å; K154-L158 PolarHBondContact O-N 2.94Å; K154-L158 VanDerWaalsContact O-N 3.09Å; L155-L158 PolarHBondContact O-N 3.2Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.31Å; L158-E161 PolarHBondContact O-N 3.39Å; L158-R162 PolarHBondContact O-N 2.87Å |
| 159 | Y | 87.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -31.4 | 174.9 | -78.1 | -51.8 | 0 | 0 | 0 | 113.4 | Q129 E133 L155 G156 K157 R162 E163 E164 K167 I171 | Q129-Y159 PolarHBondContact NE2-OH 2.73Å; E133-Y159 PolarHBondContact OE1-OH 2.97Å; L155-Y159 HydrophobicContact CD1-CD2 4.07Å; L155-Y159 HydrophobicContact CD1-CE2 3.64Å; L155-Y159 HydrophobicContact CD2-CE2 3.97Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.58Å; L155-Y159 VanDerWaalsContact O-CD2 3.31Å; L155-Y159 WeakPolarHBondContact O-CD2 3.36Å; L155-Y159 PolarHBondContact O-N 2.97Å; G156-Y159 PolarHBondContact O-N 3.36Å; K157-Y159 VanDerWaalsContact C-N 3.35Å; K157-Y159 PolarHBondContact O-N 3.47Å; Y159-R162 PolarHBondContact O-N 3.1Å; Y159-E163 PolarHBondContact O-N 3.2Å; Y159-E163 VanDerWaalsContact O-N 3.17Å; Y159-E164 HydrophobicContact CD1-CB 3.76Å; Y159-E164 HydrophobicContact CE1-CB 4.45Å; Y159-E164 PolarHBondContact O-N 2.84Å; Y159-K167 HydrophobicContact CD1-CB 4.3Å; Y159-K167 HydrophobicContact CD2-CB 4.42Å; Y159-K167 HydrophobicContact CE1-CB 3.99Å; Y159-K167 HydrophobicContact CE1-CD 3.59Å; Y159-K167 HydrophobicContact CE1-CG 4.42Å; Y159-K167 HydrophobicContact CE2-CB 4.12Å; Y159-K167 HydrophobicContact CG-CB 4.5Å; Y159-K167 VanDerWaalsContact OH-CD 3.29Å; Y159-K167 WeakPolarHBondContact OH-CD 3.38Å; Y159-I171 HydrophobicContact CD2-CD1 3.55Å; Y159-I171 HydrophobicContact CE2-CD1 3.41Å; Y159-I171 VanDerWaalsContact CE2-CD1 3.41Å |
| 160 | L | 86.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 171.1 | -77.4 | 170.6 | 0 | 0 | 0 | 111.4 | G156 K157 L158 R162 E163 L168 L200 Q203 M204 | G156-L160 PolarHBondContact O-N 3.3Å; K157-L160 WeakPolarHBondContact O-CB 3.35Å; K157-L160 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.31Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 3.39Å; L160-E163 PolarHBondContact O-N 3.43Å; L160-E163 VanDerWaalsContact O-N 3.15Å; L160-L168 HydrophobicContact CD1-CD2 4.48Å; L160-L168 HydrophobicContact CD2-CD2 3.28Å; L160-L168 HydrophobicContact CG-CD2 3.51Å; L160-L200 HydrophobicContact CD1-CD2 3.56Å; L160-Q203 HydrophobicContact CD1-CB 4.02Å; L160-Q203 HydrophobicContact CD2-CB 4.38Å; L160-M204 HydrophobicContact CD2-CB 3.85Å |
| 161 | E | 85.7 | Confident | 87.4 | Confident | 137 Ų | 137 | 52.1 Ų | 52.1 | 64% | 0.64 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -32.2 | 177.4 | -70.3 | 176.7 | -177.8 | 0 | 0 | 112.7 | M125 K157 L158 E163 | M125-E161 HydrophobicContact CE-CB 3.99Å; K157-E161 PolarHBondContact O-N 2.64Å; L158-E161 PolarHBondContact O-N 3.39Å; E161-E163 VanDerWaalsContact C-N 3.3Å |
| 162 | R | 85.4 | Confident | 87.6 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.9 | 175.9 | -162.2 | 176 | 178.6 | 145.5 | 18.6 | 113.7 | D126 L158 Y159 L160 E164 | D126-R162 IonicContact OD1-CZ 3.2Å; D126-R162 IonicContact OD1-NH1 2.73Å; D126-R162 PolarHBondContact OD1-NH1 3.26Å; D126-R162 IonicContact OD1-NH2 3.2Å; D126-R162 PolarHBondContact OD1-NH2 3.05Å; L158-R162 PolarHBondContact O-N 2.87Å; Y159-R162 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 3.39Å; R162-E164 HydrophobicContact CB-CB 4.43Å; R162-E164 HydrophobicContact CB-CG 4.29Å; R162-E164 HydrophobicContact CG-CG 3.88Å; R162-E164 PolarHBondContact O-N 3.45Å |
| 163 | E | 86.3 | Confident | 87.7 | Confident | 138 Ų | 138 | 59 Ų | 59 | 65% | 0.645 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 24.5 | -173.5 | -54.6 | -173.9 | 158.1 | 0 | 0 | 114 | Y159 L160 E161 Y165 | Y159-E163 PolarHBondContact O-N 3.2Å; Y159-E163 VanDerWaalsContact O-N 3.17Å; L160-E163 PolarHBondContact O-N 3.43Å; L160-E163 VanDerWaalsContact O-N 3.15Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E163-Y165 HydrophobicContact CB-CE2 4.28Å; E163-Y165 WeakPolarHBondContact O-CD2 3.37Å; E163-Y165 WeakPolarHBondContact O-CE2 3.41Å; E163-Y165 PolarHBondContact O-N 2.88Å; E163-Y165 VanDerWaalsContact O-N 3.13Å |
| 164 | E | 89.3 | Confident | 87.6 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | trans | -90.2 | 71.3 | -177.3 | -85.1 | -74 | -172.8 | 0 | 0 | 111.7 | Y159 R162 G166 L168 | Y159-E164 HydrophobicContact CD1-CB 3.76Å; Y159-E164 HydrophobicContact CE1-CB 4.45Å; Y159-E164 PolarHBondContact O-N 2.84Å; R162-E164 HydrophobicContact CB-CB 4.43Å; R162-E164 HydrophobicContact CB-CG 4.29Å; R162-E164 HydrophobicContact CG-CG 3.88Å; R162-E164 PolarHBondContact O-N 3.45Å; E164-G166 VanDerWaalsContact C-N 3.31Å; E164-G166 PolarHBondContact O-N 3.45Å; E164-L168 PolarHBondContact O-N 3.43Å | ||
| 165 | Y | 89.8 | Confident | 87.7 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.1 | -24.9 | -171.1 | -49.9 | -58.7 | 0 | 0 | 0 | 114.7 | E163 Q169 M204 A207 Q208 | E163-Y165 HydrophobicContact CB-CE2 4.28Å; E163-Y165 WeakPolarHBondContact O-CD2 3.37Å; E163-Y165 WeakPolarHBondContact O-CE2 3.41Å; E163-Y165 PolarHBondContact O-N 2.88Å; E163-Y165 VanDerWaalsContact O-N 3.13Å; Y165-Q169 WeakPolarHBondContact O-CG 3.42Å; Y165-Q169 PolarHBondContact O-N 3.23Å; Y165-M204 HydrophobicContact CD1-CG 3.76Å; Y165-M204 HydrophobicContact CG-CG 4.38Å; Y165-A207 HydrophobicContact CE1-CB 4.03Å; Y165-A207 VanDerWaalsContact OH-CB 3.29Å; Y165-A207 WeakPolarHBondContact OH-CB 3.47Å; Y165-Q208 HydrophobicContact CD2-CG 4.17Å; Y165-Q208 HydrophobicContact CE2-CG 4.38Å; Y165-Q208 HydrophobicContact CG-CG 4.33Å; Y165-Q208 VanDerWaalsContact CG-NE2 3.34Å |
| 166 | G | 90.1 | Very high | 87.7 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E164 | E164-G166 VanDerWaalsContact C-N 3.31Å; E164-G166 PolarHBondContact O-N 3.45Å |
| 167 | K | 87.4 | Confident | 87.4 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 39% | 0.391 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 175.3 | -65.7 | -173.5 | -177.1 | 179.6 | 0 | 111 | Y159 Q169 K170 I171 | Y159-K167 HydrophobicContact CD1-CB 4.3Å; Y159-K167 HydrophobicContact CD2-CB 4.42Å; Y159-K167 HydrophobicContact CE1-CB 3.99Å; Y159-K167 HydrophobicContact CE1-CD 3.59Å; Y159-K167 HydrophobicContact CE1-CG 4.42Å; Y159-K167 HydrophobicContact CE2-CB 4.12Å; Y159-K167 HydrophobicContact CG-CB 4.5Å; Y159-K167 VanDerWaalsContact OH-CD 3.29Å; Y159-K167 WeakPolarHBondContact OH-CD 3.38Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 2.94Å; K167-K170 WeakPolarHBondContact O-CB 3.47Å; K167-K170 PolarHBondContact O-N 3.03Å; K167-I171 PolarHBondContact O-N 2.95Å |
| 168 | L | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.8 | -177.5 | 59.6 | 0 | 0 | 0 | 112.6 | G156 L160 E164 K170 I171 L172 M204 | G156-L168 WeakPolarHBondContact O-CD1 3.22Å; L160-L168 HydrophobicContact CD1-CD2 4.48Å; L160-L168 HydrophobicContact CD2-CD2 3.28Å; L160-L168 HydrophobicContact CG-CD2 3.51Å; E164-L168 PolarHBondContact O-N 3.43Å; L168-K170 PolarHBondContact O-N 3.33Å; L168-I171 PolarHBondContact O-N 3.01Å; L168-I171 VanDerWaalsContact O-N 3.11Å; L168-L172 HydrophobicContact CD1-CD1 4.19Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 HydrophobicContact CG-CD1 3.79Å; L168-L172 HydrophobicContact CG-CG 4.3Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.28Å; L168-M204 HydrophobicContact CB-SD 4.43Å; L168-M204 HydrophobicContact CD2-CB 3.85Å; L168-M204 HydrophobicContact CD2-CG 3.83Å; L168-M204 HydrophobicContact CD2-SD 3.8Å; L168-M204 HydrophobicContact CG-SD 4.04Å |
| 169 | Q | 89.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -26.9 | 175.9 | -77.8 | 178.5 | 6.9 | 0 | 0 | 114 | Y165 K167 R173 M204 | Y165-Q169 WeakPolarHBondContact O-CG 3.42Å; Y165-Q169 PolarHBondContact O-N 3.23Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 2.94Å; Q169-R173 WeakPolarHBondContact O-CG 3.13Å; Q169-R173 PolarHBondContact O-N 3.44Å; Q169-R173 PolarHBondContact O-NE 2.98Å; Q169-M204 HydrophobicContact CG-CE 3.86Å; Q169-M204 HydrophobicContact CG-SD 3.59Å; Q169-M204 VanDerWaalsContact CG-SD 3.59Å |
| 170 | K | 89.9 | Confident | 86.1 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -73.7 | -41.7 | 174.6 | -66.7 | 179.8 | -178.2 | 178.6 | 0 | 110.6 | K167 L168 R173 Q174 | K167-K170 WeakPolarHBondContact O-CB 3.47Å; K167-K170 PolarHBondContact O-N 3.03Å; L168-K170 PolarHBondContact O-N 3.33Å; K170-R173 PolarHBondContact O-N 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 3.18Å |
| 171 | I | 87.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 178 | -68.7 | 169.2 | 0 | 0 | 0 | 110.6 | N152 L155 Y159 K167 L168 R173 Q174 L175 | N152-I171 HydrophobicContact CB-CG2 4.16Å; L155-I171 HydrophobicContact CD2-CD1 3.7Å; L155-I171 HydrophobicContact CG-CD1 3.85Å; Y159-I171 HydrophobicContact CD2-CD1 3.55Å; Y159-I171 HydrophobicContact CE2-CD1 3.41Å; Y159-I171 VanDerWaalsContact CE2-CD1 3.41Å; K167-I171 PolarHBondContact O-N 2.95Å; L168-I171 PolarHBondContact O-N 3.01Å; L168-I171 VanDerWaalsContact O-N 3.11Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.2Å; I171-Q174 WeakPolarHBondContact O-CB 3.39Å; I171-Q174 PolarHBondContact O-N 3.09Å; I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CG 3.41Å; I171-L175 PolarHBondContact O-N 3.37Å |
| 172 | L | 89 | Confident | 83.9 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 177.9 | -70.6 | 165.1 | 0 | 0 | 0 | 112.1 | L168 Q174 L175 H176 I197 L200 E201 M204 | L168-L172 HydrophobicContact CD1-CD1 4.19Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 HydrophobicContact CG-CD1 3.79Å; L168-L172 HydrophobicContact CG-CG 4.3Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.28Å; L172-Q174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-H176 VanDerWaalsContact O-CB 3.28Å; L172-H176 WeakPolarHBondContact O-CB 3.42Å; L172-H176 PolarHBondContact O-N 3.38Å; L172-I197 HydrophobicContact CD2-CG2 4.02Å; L172-L200 HydrophobicContact CD2-CB 3.94Å; L172-E201 HydrophobicContact CB-CG 4.41Å; L172-E201 HydrophobicContact CD1-CG 3.79Å; L172-E201 HydrophobicContact CD2-CG 3.68Å; L172-E201 HydrophobicContact CG-CG 4.14Å; L172-M204 HydrophobicContact CD1-CE 3.81Å; L172-M204 HydrophobicContact CD1-SD 3.91Å |
| 173 | R | 88.2 | Confident | 82.4 | Confident | 147 Ų | 147 | 71 Ų | 71 | 56% | 0.555 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 173.7 | -82 | -177.3 | -77.8 | 173.7 | -9.3 | 112.8 | Q169 K170 I171 Q177 | Q169-R173 WeakPolarHBondContact O-CG 3.13Å; Q169-R173 PolarHBondContact O-N 3.44Å; Q169-R173 PolarHBondContact O-NE 2.98Å; K170-R173 PolarHBondContact O-N 3.28Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.2Å; R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 VanDerWaalsContact O-CG 3.26Å; R173-Q177 WeakPolarHBondContact O-CG 3.31Å; R173-Q177 PolarHBondContact O-N 3.07Å |
| 174 | Q | 86.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 177 | -70.2 | 174.9 | 2.5 | 0 | 0 | 111.6 | W148 K170 I171 L172 Q177 S178 | W148-Q174 HydrophobicContact CH2-CB 4.25Å; W148-Q174 HydrophobicContact CZ2-CB 4.39Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 3.18Å; I171-Q174 WeakPolarHBondContact O-CB 3.39Å; I171-Q174 PolarHBondContact O-N 3.09Å; L172-Q174 PolarHBondContact O-N 2.91Å; Q174-Q177 PolarHBondContact O-N 3.21Å; Q174-S178 PolarHBondContact O-N 3.45Å; Q174-S178 VanDerWaalsContact O-N 3.07Å |
| 175 | L | 86 | Confident | 80.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 176.5 | -74.1 | 176.1 | 0 | 0 | 0 | 111.3 | W148 F149 N152 I171 L172 S178 C179 I197 | W148-L175 HydrophobicContact CH2-CD2 4.23Å; W148-L175 HydrophobicContact CZ3-CD2 3.88Å; F149-L175 HydrophobicContact CD2-CD2 3.67Å; F149-L175 HydrophobicContact CE2-CD2 3.9Å; F149-L175 HydrophobicContact CG-CD2 4.41Å; N152-L175 HydrophobicContact CB-CD1 4.23Å; N152-L175 HydrophobicContact CB-CD2 3.62Å; N152-L175 HydrophobicContact CB-CG 4.12Å; I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CG 3.41Å; I171-L175 PolarHBondContact O-N 3.37Å; L172-L175 PolarHBondContact O-N 3.49Å; L175-S178 WeakPolarHBondContact O-CB 3.42Å; L175-S178 PolarHBondContact O-N 2.66Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.18Å; L175-C179 PolarHBondContact O-N 3.19Å; L175-I197 HydrophobicContact CB-CD1 3.79Å; L175-I197 HydrophobicContact CB-CG1 3.92Å; L175-I197 HydrophobicContact CD1-CG1 4.45Å |
| 176 | H | 84.9 | Confident | 78.9 | Confident | 40 Ų | 40 | 70 Ų | 70 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 178.7 | -164.5 | 71.6 | 0 | 0 | 0 | 111.4 | L172 S178 C179 Q180 D186 Y198 | L172-H176 VanDerWaalsContact O-CB 3.28Å; L172-H176 WeakPolarHBondContact O-CB 3.42Å; L172-H176 PolarHBondContact O-N 3.38Å; H176-S178 VanDerWaalsContact C-N 3.25Å; H176-S178 PolarHBondContact O-N 2.69Å; H176-C179 CarbonylContact O-C 3.57Å; H176-C179 PolarHBondContact O-N 3.46Å; H176-Q180 PolarHBondContact CD2-NE2 3.33Å; H176-Q180 PolarHBondContact NE2-NE2 3.32Å; H176-Q180 WeakPolarHBondContact O-CG 3.47Å; H176-Q180 PolarHBondContact O-N 2.9Å; H176-Q180 VanDerWaalsContact O-N 3.11Å; H176-D186 IonicContact CE1-OD1 2.75Å; H176-D186 IonicContact NE2-OD1 3.88Å; H176-Y198 AromaticContact CE1-CE1 3.93Å; H176-Y198 PolarHBondContact CE1-OH 2.92Å |
| 177 | Q | 83.6 | Confident | 77.7 | Confident | 133 Ų | 133 | 69.6 Ų | 69.6 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.3 | -35 | 172.9 | -76.4 | 176.3 | -7.6 | 0 | 0 | 113.1 | R173 Q174 C179 Q180 | R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 VanDerWaalsContact O-CG 3.26Å; R173-Q177 WeakPolarHBondContact O-CG 3.31Å; R173-Q177 PolarHBondContact O-N 3.07Å; Q174-Q177 PolarHBondContact O-N 3.21Å; Q177-C179 PolarHBondContact O-N 2.8Å; Q177-Q180 PolarHBondContact O-N 3.15Å |
| 178 | S | 80.3 | Confident | 76.6 | Confident | 36 Ų | 36 | 71 Ų | 71 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.6 | -18.1 | 177.8 | 79.5 | 0 | 0 | 0 | 0 | 114 | Q174 L175 H176 K190 | Q174-S178 PolarHBondContact O-N 3.45Å; Q174-S178 VanDerWaalsContact O-N 3.07Å; L175-S178 WeakPolarHBondContact O-CB 3.42Å; L175-S178 PolarHBondContact O-N 2.66Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.18Å; H176-S178 VanDerWaalsContact C-N 3.25Å; H176-S178 PolarHBondContact O-N 2.69Å; S178-K190 PolarHBondContact O-NZ 3.4Å |
| 179 | C | 75.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -102.7 | -3.8 | 178.8 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | L175 H176 Q177 D187 L194 I197 | L175-C179 PolarHBondContact O-N 3.19Å; H176-C179 CarbonylContact O-C 3.57Å; H176-C179 PolarHBondContact O-N 3.46Å; Q177-C179 PolarHBondContact O-N 2.8Å; C179-D187 VanDerWaalsContact O-CB 3.26Å; C179-D187 WeakPolarHBondContact O-CB 3.24Å; C179-D187 PolarHBondContact O-N 2.94Å; C179-L194 HydrophobicContact CB-CD1 4.12Å; C179-I197 HydrophobicContact CB-CD1 4.28Å |
| 180 | Q | 77.1 | Confident | 74.6 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 144.1 | 171.1 | -72.8 | 175.7 | -20.3 | 0 | 0 | 110 | H176 Q177 | H176-Q180 PolarHBondContact CD2-NE2 3.33Å; H176-Q180 PolarHBondContact NE2-NE2 3.32Å; H176-Q180 WeakPolarHBondContact O-CG 3.47Å; H176-Q180 PolarHBondContact O-N 2.9Å; H176-Q180 VanDerWaalsContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 3.15Å |
| 181 | T | 67.8 | Low | 73.9 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | trans | -72 | 165.8 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | D183 G184 E185 D187 | T181-D183 PolarHBondContact O-N 3.48Å; T181-D183 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact O-N 3Å; T181-E185 WeakPolarHBondContact CB-O 3.22Å; T181-E185 PolarHBondContact N-O 3.04Å; T181-E185 PolarHBondContact OG1-N 3.28Å; T181-E185 PolarHBondContact OG1-O 3Å; T181-D187 HydrophobicContact CG2-CB 3.79Å | ||
| 182 | D | 57.8 | Low | 73.7 | Confident | 179 Ų | 179 | 76.4 Ų | 76.4 | 96% | 0.957 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21 | 177.5 | -72.4 | -26.4 | 0 | 0 | 0 | 112.9 | G184 | D182-G184 VanDerWaalsContact C-N 3.34Š|
| 183 | D | 54.5 | Low | 73.4 | Confident | 151 Ų | 151 | 78.9 Ų | 78.9 | 81% | 0.807 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2 | 175.3 | -64.2 | -43.4 | 0 | 0 | 0 | 113.5 | T181 | T181-D183 PolarHBondContact O-N 3.48Å; T181-D183 VanDerWaalsContact O-N 3.08Å |
| 184 | G | 61.8 | Low | 73.3 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 46% | 0.464 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 83.2 | 4.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T181 D182 | T181-G184 PolarHBondContact O-N 3Å; D182-G184 VanDerWaalsContact C-N 3.34Å |
| 185 | E | 64.9 | Low | 73.3 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -89.3 | 149.5 | 174 | -65.6 | -168.4 | 164 | 0 | 0 | 111.7 | T181 D187 | T181-E185 WeakPolarHBondContact CB-O 3.22Å; T181-E185 PolarHBondContact N-O 3.04Å; T181-E185 PolarHBondContact OG1-N 3.28Å; T181-E185 PolarHBondContact OG1-O 3Å; E185-D187 PolarHBondContact O-N 3.41Å |
| 186 | D | 64.5 | Low | 73.4 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 123.8 | 179.2 | -73.4 | -15.2 | 0 | 0 | 0 | 111.7 | H176 L188 L194 Y198 | H176-D186 IonicContact CE1-OD1 2.75Å; H176-D186 IonicContact NE2-OD1 3.88Å; D186-L188 PolarHBondContact O-N 3.31Å; D186-L188 VanDerWaalsContact O-N 3.08Å; D186-L194 HydrophobicContact CB-CD2 3.62Å; D186-Y198 PolarHBondContact OD2-OH 3.49Å; D186-Y198 VanDerWaalsContact OD2-OH 3.06Å |
| 187 | D | 66 | Low | 73.6 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | trans | -72.7 | 104.5 | 178.3 | -174.1 | -2.2 | 0 | 0 | 0 | 110.7 | C179 T181 E185 K189 K190 G191 | C179-D187 VanDerWaalsContact O-CB 3.26Å; C179-D187 WeakPolarHBondContact O-CB 3.24Å; C179-D187 PolarHBondContact O-N 2.94Å; T181-D187 HydrophobicContact CG2-CB 3.79Å; E185-D187 PolarHBondContact O-N 3.41Å; D187-K189 PolarHBondContact O-N 3.15Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 VanDerWaalsContact OD1-CB 3.26Å; D187-K189 WeakPolarHBondContact OD1-CB 3.33Å; D187-K189 PolarHBondContact OD1-N 3.42Å; D187-K190 HydrophobicContact CB-CB 4.46Å; D187-K190 CarbonylContact O-C 3.55Å; D187-K190 PolarHBondContact O-N 3.47Å; D187-G191 PolarHBondContact O-N 3.08Å | ||
| 188 | L | 63 | Low | 73.9 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.2 | -24.7 | 177.4 | -65.3 | 170.4 | 0 | 0 | 0 | 113 | D186 K190 G191 | D186-L188 PolarHBondContact O-N 3.31Å; D186-L188 VanDerWaalsContact O-N 3.08Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 2.88Å; L188-G191 PolarHBondContact O-N 2.8Å |
| 189 | K | 66.7 | Low | 74.4 | Confident | 197 Ų | 197 | 61.7 Ų | 61.7 | 86% | 0.857 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -70.3 | -25.1 | 175.5 | -61.4 | 176.4 | -178.6 | 171.3 | 0 | 112.3 | D187 | D187-K189 PolarHBondContact O-N 3.15Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 VanDerWaalsContact OD1-CB 3.26Å; D187-K189 WeakPolarHBondContact OD1-CB 3.33Å; D187-K189 PolarHBondContact OD1-N 3.42Å |
| 190 | K | 71.8 | Confident | 75.1 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -99.7 | 18.9 | 174.3 | -64 | -177.7 | -175 | 179 | 0 | 112.2 | S178 D187 L188 T192 Q193 L194 | S178-K190 PolarHBondContact O-NZ 3.4Å; D187-K190 HydrophobicContact CB-CB 4.46Å; D187-K190 CarbonylContact O-C 3.55Å; D187-K190 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 2.88Å; K190-T192 PolarHBondContact O-N 2.84Å; K190-T192 VanDerWaalsContact O-N 3.1Å; K190-Q193 HydrophobicContact CB-CB 4.48Å; K190-Q193 WeakPolarHBondContact O-CA 3.45Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.01Å; K190-L194 PolarHBondContact O-N 3.41Å |
| 191 | G | 75.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.3 | -35.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D187 L188 L194 L195 | D187-G191 PolarHBondContact O-N 3.08Å; L188-G191 PolarHBondContact O-N 2.8Å; G191-L194 PolarHBondContact O-N 2.96Å; G191-L195 WeakPolarHBondContact O-CG 3.42Å; G191-L195 PolarHBondContact O-N 2.69Å |
| 192 | T | 82.1 | Confident | 76.9 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | K190 L194 L195 E196 | K190-T192 PolarHBondContact O-N 2.84Å; K190-T192 VanDerWaalsContact O-N 3.1Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L195 PolarHBondContact O-N 2.94Å; T192-E196 PolarHBondContact O-N 3.45Å |
| 193 | Q | 83.3 | Confident | 78.5 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 176 | -71.5 | 179.9 | -18.8 | 0 | 0 | 110.9 | F149 K190 L195 E196 I197 | F149-Q193 HydrophobicContact CD1-CG 4.02Å; F149-Q193 HydrophobicContact CD2-CB 4.36Å; F149-Q193 HydrophobicContact CD2-CG 4.45Å; F149-Q193 HydrophobicContact CE1-CB 3.88Å; F149-Q193 HydrophobicContact CE1-CG 3.73Å; F149-Q193 HydrophobicContact CE2-CB 3.7Å; F149-Q193 HydrophobicContact CE2-CG 4.19Å; F149-Q193 HydrophobicContact CG-CG 4.4Å; F149-Q193 HydrophobicContact CZ-CB 3.45Å; F149-Q193 VanDerWaalsContact CZ-CB 3.45Å; F149-Q193 HydrophobicContact CZ-CG 3.85Å; F149-Q193 WeakPolarHBondContact CZ-O 3.37Å; K190-Q193 HydrophobicContact CB-CB 4.48Å; K190-Q193 WeakPolarHBondContact O-CA 3.45Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.01Å; Q193-L195 PolarHBondContact O-N 3.46Å; Q193-E196 WeakPolarHBondContact O-CB 3.3Å; Q193-E196 PolarHBondContact O-N 3.46Å; Q193-I197 WeakPolarHBondContact O-CG1 3.46Å; Q193-I197 PolarHBondContact O-N 3.44Å |
| 194 | L | 86.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.4 | -170 | 58.3 | 0 | 0 | 0 | 112.3 | C179 D186 K190 G191 T192 E196 I197 Y198 I224 | C179-L194 HydrophobicContact CB-CD1 4.12Å; D186-L194 HydrophobicContact CB-CD2 3.62Å; K190-L194 PolarHBondContact O-N 3.41Å; G191-L194 PolarHBondContact O-N 2.96Å; T192-L194 VanDerWaalsContact C-N 3.34Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 3.26Å; L194-I197 HydrophobicContact CD1-CD1 4.24Å; L194-I197 WeakPolarHBondContact O-CB 3.46Å; L194-I197 PolarHBondContact O-N 2.93Å; L194-Y198 HydrophobicContact CD1-CE1 4.41Å; L194-Y198 HydrophobicContact CD1-CE2 4.27Å; L194-Y198 HydrophobicContact CD2-CE2 4.23Å; L194-Y198 HydrophobicContact CG-CD2 4.28Å; L194-Y198 HydrophobicContact CG-CE2 3.81Å; L194-Y198 PolarHBondContact O-N 2.98Å; L194-I224 HydrophobicContact CB-CD1 4.06Å; L194-I224 HydrophobicContact CD2-CD1 3.47Å; L194-I224 VanDerWaalsContact CD2-CD1 3.47Å; L194-I224 HydrophobicContact CD2-CG1 4.39Å; L194-I224 HydrophobicContact CG-CD1 3.65Å |
| 195 | L | 86.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 172.7 | -72.1 | 168.9 | 0 | 0 | 0 | 112.5 | G191 T192 Q193 I197 Y198 A199 I224 A227 P229 I233 I237 | G191-L195 WeakPolarHBondContact O-CG 3.42Å; G191-L195 PolarHBondContact O-N 2.69Å; T192-L195 PolarHBondContact O-N 2.94Å; Q193-L195 PolarHBondContact O-N 3.46Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-Y198 PolarHBondContact O-N 3.29Å; L195-A199 WeakPolarHBondContact O-CB 3.3Å; L195-A199 PolarHBondContact O-N 3.2Å; L195-I224 HydrophobicContact CD1-CB 4.48Å; L195-I224 HydrophobicContact CD1-CG2 4.06Å; L195-I224 HydrophobicContact CD2-CB 4.25Å; L195-I224 HydrophobicContact CD2-CD1 4.14Å; L195-I224 HydrophobicContact CG-CB 4.31Å; L195-I224 HydrophobicContact CG-CD1 4.22Å; L195-I224 HydrophobicContact CG-CG2 4.09Å; L195-A227 HydrophobicContact CD1-CB 4.14Å; L195-P229 HydrophobicContact CB-CB 4.5Å; L195-P229 HydrophobicContact CD1-CB 3.89Å; L195-P229 HydrophobicContact CD1-CG 3.82Å; L195-I233 HydrophobicContact CB-CG2 4.2Å; L195-I233 WeakPolarHBondContact O-CG2 3.42Å; L195-I237 HydrophobicContact CB-CD1 4.16Å; L195-I237 HydrophobicContact CD2-CD1 3.58Å; L195-I237 HydrophobicContact CG-CD1 4.46Å |
| 196 | E | 87.6 | Confident | 82.7 | Confident | 57 Ų | 57 | 40 Ų | 40 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 171.3 | -76.4 | -176.8 | -161.1 | 0 | 0 | 112.1 | F149 T192 Q193 L194 A199 L200 I233 | F149-E196 WeakPolarHBondContact CE1-OE2 3.1Å; F149-E196 HydrophobicContact CZ-CB 4.36Å; T192-E196 PolarHBondContact O-N 3.45Å; Q193-E196 WeakPolarHBondContact O-CB 3.3Å; Q193-E196 PolarHBondContact O-N 3.46Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 3.26Å; E196-A199 PolarHBondContact O-N 3.19Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.16Å; E196-I233 HydrophobicContact CG-CD1 3.26Å; E196-I233 HydrophobicContact CG-CG1 4.1Å |
| 197 | I | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -54 | 175.6 | -62.5 | 163.8 | 0 | 0 | 0 | 109.2 | F149 L172 L175 C179 Q193 L194 L195 A199 L200 E201 | F149-I197 HydrophobicContact CE2-CD1 3.88Å; F149-I197 HydrophobicContact CE2-CG1 3.96Å; F149-I197 HydrophobicContact CZ-CD1 4.41Å; F149-I197 HydrophobicContact CZ-CG1 4.08Å; L172-I197 HydrophobicContact CD2-CG2 4.02Å; L175-I197 HydrophobicContact CB-CD1 3.79Å; L175-I197 HydrophobicContact CB-CG1 3.92Å; L175-I197 HydrophobicContact CD1-CG1 4.45Å; C179-I197 HydrophobicContact CB-CD1 4.28Å; Q193-I197 WeakPolarHBondContact O-CG1 3.46Å; Q193-I197 PolarHBondContact O-N 3.44Å; L194-I197 HydrophobicContact CD1-CD1 4.24Å; L194-I197 WeakPolarHBondContact O-CB 3.46Å; L194-I197 PolarHBondContact O-N 2.93Å; L195-I197 VanDerWaalsContact C-N 3.34Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 PolarHBondContact O-N 3.09Å; I197-L200 WeakPolarHBondContact O-CA 3.32Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 3.05Å; I197-E201 HydrophobicContact CG2-CG 4.21Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 3.43Å |
| 198 | Y | 90.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -37.6 | -179.6 | -70.3 | -31.8 | 0 | 0 | 0 | 112.7 | H176 D186 L194 L195 L200 E201 I202 L217 Q220 I224 | H176-Y198 AromaticContact CE1-CE1 3.93Å; H176-Y198 PolarHBondContact CE1-OH 2.92Å; D186-Y198 PolarHBondContact OD2-OH 3.49Å; D186-Y198 VanDerWaalsContact OD2-OH 3.06Å; L194-Y198 HydrophobicContact CD1-CE1 4.41Å; L194-Y198 HydrophobicContact CD1-CE2 4.27Å; L194-Y198 HydrophobicContact CD2-CE2 4.23Å; L194-Y198 HydrophobicContact CG-CD2 4.28Å; L194-Y198 HydrophobicContact CG-CE2 3.81Å; L194-Y198 PolarHBondContact O-N 2.98Å; L195-Y198 PolarHBondContact O-N 3.29Å; Y198-L200 PolarHBondContact O-N 2.97Å; Y198-E201 PolarHBondContact O-N 3.47Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 VanDerWaalsContact O-CG1 3.22Å; Y198-I202 WeakPolarHBondContact O-CG1 3.28Å; Y198-I202 PolarHBondContact O-N 3.11Å; Y198-L217 HydrophobicContact CD1-CD2 3.75Å; Y198-L217 HydrophobicContact CE1-CD2 3.99Å; Y198-Q220 HydrophobicContact CE2-CB 4.2Å; Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CE2-CD1 3.49Å; Y198-I224 VanDerWaalsContact CE2-CD1 3.49Å |
| 199 | A | 90.6 | Very high | 86 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L195 E196 I197 Q203 I233 V236 I237 | L195-A199 WeakPolarHBondContact O-CB 3.3Å; L195-A199 PolarHBondContact O-N 3.2Å; E196-A199 PolarHBondContact O-N 3.19Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 PolarHBondContact O-N 3.09Å; A199-Q203 WeakPolarHBondContact O-CG 3.28Å; A199-Q203 PolarHBondContact O-N 3.23Å; A199-I233 HydrophobicContact CB-CG2 3.8Å; A199-V236 HydrophobicContact CB-CG1 4.23Å; A199-I237 HydrophobicContact CB-CG1 4.23Å |
| 200 | L | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 173.9 | -70.1 | 175.9 | 0 | 0 | 0 | 112.1 | T153 K157 L160 L172 E196 I197 Y198 Q203 M204 | T153-L200 HydrophobicContact CG2-CD1 3.86Å; K157-L200 HydrophobicContact CG-CD2 3.65Å; L160-L200 HydrophobicContact CD1-CD2 3.56Å; L172-L200 HydrophobicContact CD2-CB 3.94Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.16Å; I197-L200 WeakPolarHBondContact O-CA 3.32Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 3.05Å; Y198-L200 PolarHBondContact O-N 2.97Å; L200-Q203 PolarHBondContact O-N 3.39Å; L200-M204 PolarHBondContact O-N 3.32Å |
| 201 | E | 91.1 | Very high | 87.8 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.8 | -61.8 | -162 | 129.2 | 0 | 0 | 111.6 | L172 I197 Y198 Q203 M204 Y205 L217 | L172-E201 HydrophobicContact CB-CG 4.41Å; L172-E201 HydrophobicContact CD1-CG 3.79Å; L172-E201 HydrophobicContact CD2-CG 3.68Å; L172-E201 HydrophobicContact CG-CG 4.14Å; I197-E201 HydrophobicContact CG2-CG 4.21Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 3.43Å; Y198-E201 PolarHBondContact O-N 3.47Å; E201-Q203 PolarHBondContact O-N 3.21Å; E201-M204 WeakPolarHBondContact O-CB 3.46Å; E201-M204 PolarHBondContact O-N 3.01Å; E201-Y205 HydrophobicContact CB-CD2 4.36Å; E201-Y205 HydrophobicContact CB-CE2 4.32Å; E201-Y205 WeakPolarHBondContact O-CD2 3.28Å; E201-Y205 PolarHBondContact O-N 2.97Å; E201-L217 HydrophobicContact CB-CD1 3.73Å; E201-L217 HydrophobicContact CB-CD2 4.44Å; E201-L217 WeakPolarHBondContact OE2-CD2 3.42Å |
| 202 | I | 91.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.2 | -76.2 | 167.4 | 0 | 0 | 0 | 110.4 | Y198 M204 Y205 T206 L214 L217 V236 I237 C240 | Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 VanDerWaalsContact O-CG1 3.22Å; Y198-I202 WeakPolarHBondContact O-CG1 3.28Å; Y198-I202 PolarHBondContact O-N 3.11Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 3.38Å; I202-Y205 PolarHBondContact O-N 2.9Å; I202-T206 VanDerWaalsContact O-CB 3.24Å; I202-T206 WeakPolarHBondContact O-CB 3.19Å; I202-T206 PolarHBondContact O-N 3.45Å; I202-T206 PolarHBondContact O-OG1 3.02Å; I202-L214 HydrophobicContact CB-CD2 4.29Å; I202-L214 HydrophobicContact CG1-CD2 4.3Å; I202-L214 HydrophobicContact CG2-CD2 4.16Å; I202-L214 WeakPolarHBondContact O-CD2 3.43Å; I202-L217 HydrophobicContact CG1-CB 4.19Å; I202-L217 HydrophobicContact CG1-CD1 4.27Å; I202-V236 HydrophobicContact CG2-CG1 4.39Å; I202-I237 HydrophobicContact CD1-CB 4.38Å; I202-I237 HydrophobicContact CD1-CG1 4.06Å; I202-I237 HydrophobicContact CD1-CG2 4.29Å; I202-C240 HydrophobicContact CD1-CB 4.39Å; I202-C240 HydrophobicContact CG2-CB 3.5Å |
| 203 | Q | 89.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.3 | -72.7 | 176.8 | 19.5 | 0 | 0 | 111.8 | L160 A199 L200 E201 T206 A207 V236 | L160-Q203 HydrophobicContact CD1-CB 4.02Å; L160-Q203 HydrophobicContact CD2-CB 4.38Å; A199-Q203 WeakPolarHBondContact O-CG 3.28Å; A199-Q203 PolarHBondContact O-N 3.23Å; L200-Q203 PolarHBondContact O-N 3.39Å; E201-Q203 PolarHBondContact O-N 3.21Å; Q203-T206 PolarHBondContact O-N 3.05Å; Q203-A207 PolarHBondContact O-N 2.8Å; Q203-V236 HydrophobicContact CG-CG1 4.04Å |
| 204 | M | 91.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -51.8 | 175.4 | -179 | -174.8 | 64 | 0 | 0 | 112 | L160 Y165 L168 Q169 L172 L200 E201 I202 T206 A207 Q208 | L160-M204 HydrophobicContact CD2-CB 3.85Å; Y165-M204 HydrophobicContact CD1-CG 3.76Å; Y165-M204 HydrophobicContact CG-CG 4.38Å; L168-M204 HydrophobicContact CB-SD 4.43Å; L168-M204 HydrophobicContact CD2-CB 3.85Å; L168-M204 HydrophobicContact CD2-CG 3.83Å; L168-M204 HydrophobicContact CD2-SD 3.8Å; L168-M204 HydrophobicContact CG-SD 4.04Å; Q169-M204 HydrophobicContact CG-CE 3.86Å; Q169-M204 HydrophobicContact CG-SD 3.59Å; Q169-M204 VanDerWaalsContact CG-SD 3.59Å; L172-M204 HydrophobicContact CD1-CE 3.81Å; L172-M204 HydrophobicContact CD1-SD 3.91Å; L200-M204 PolarHBondContact O-N 3.32Å; E201-M204 WeakPolarHBondContact O-CB 3.46Å; E201-M204 PolarHBondContact O-N 3.01Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 3.38Å; M204-T206 VanDerWaalsContact C-N 3.3Å; M204-T206 PolarHBondContact O-N 2.89Å; M204-A207 PolarHBondContact O-N 2.99Å; M204-Q208 WeakPolarHBondContact O-CG 3.44Å; M204-Q208 PolarHBondContact O-N 3.25Å |
| 205 | Y | 91.4 | Very high | 89.3 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.6 | -23.8 | -177.1 | -71.9 | -57.1 | 0 | 0 | 0 | 113.2 | E201 I202 Q208 K209 N210 K213 L217 | E201-Y205 HydrophobicContact CB-CD2 4.36Å; E201-Y205 HydrophobicContact CB-CE2 4.32Å; E201-Y205 WeakPolarHBondContact O-CD2 3.28Å; E201-Y205 PolarHBondContact O-N 2.97Å; I202-Y205 PolarHBondContact O-N 2.9Å; Y205-Q208 CarbonylContact O-C 3.53Å; Y205-Q208 PolarHBondContact O-N 3.37Å; Y205-K209 PolarHBondContact O-N 2.99Å; Y205-N210 HydrophobicContact CD1-CB 4Å; Y205-N210 PolarHBondContact O-N 2.92Å; Y205-K213 HydrophobicContact CD1-CB 4.31Å; Y205-K213 HydrophobicContact CD1-CD 3.99Å; Y205-K213 HydrophobicContact CD2-CB 4.19Å; Y205-K213 HydrophobicContact CE1-CB 4.42Å; Y205-K213 HydrophobicContact CE1-CD 3.33Å; Y205-K213 HydrophobicContact CE1-CG 4.49Å; Y205-K213 HydrophobicContact CE2-CB 4.29Å; Y205-K213 HydrophobicContact CE2-CD 3.93Å; Y205-K213 HydrophobicContact CG-CB 4.21Å; Y205-K213 WeakPolarHBondContact OH-CD 3.26Å; Y205-K213 PolarHBondContact OH-NZ 3.47Å; Y205-L217 HydrophobicContact CD2-CD1 3.52Å; Y205-L217 HydrophobicContact CE2-CD1 3.84Å |
| 206 | T | 87.6 | Confident | 89.5 | Confident | 66 Ų | 66 | 51 Ų | 51 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 170.2 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | I202 Q203 M204 Q208 K209 | I202-T206 VanDerWaalsContact O-CB 3.24Å; I202-T206 WeakPolarHBondContact O-CB 3.19Å; I202-T206 PolarHBondContact O-N 3.45Å; I202-T206 PolarHBondContact O-OG1 3.02Å; Q203-T206 PolarHBondContact O-N 3.05Å; M204-T206 VanDerWaalsContact C-N 3.3Å; M204-T206 PolarHBondContact O-N 2.89Å; T206-Q208 VanDerWaalsContact C-N 3.34Å; T206-Q208 PolarHBondContact O-N 2.8Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-K209 VanDerWaalsContact O-N 3.13Å |
| 207 | A | 86.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y165 Q203 M204 K209 | Y165-A207 HydrophobicContact CE1-CB 4.03Å; Y165-A207 VanDerWaalsContact OH-CB 3.29Å; Y165-A207 WeakPolarHBondContact OH-CB 3.47Å; Q203-A207 PolarHBondContact O-N 2.8Å; M204-A207 PolarHBondContact O-N 2.99Å; A207-K209 VanDerWaalsContact C-N 3.26Å; A207-K209 PolarHBondContact O-N 3.5Å |
| 208 | Q | 88.5 | Confident | 89.6 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5.7 | 174.4 | -65.6 | -178.7 | 5.8 | 0 | 0 | 114.7 | Y165 M204 Y205 T206 N210 | Y165-Q208 HydrophobicContact CD2-CG 4.17Å; Y165-Q208 HydrophobicContact CE2-CG 4.38Å; Y165-Q208 HydrophobicContact CG-CG 4.33Å; Y165-Q208 VanDerWaalsContact CG-NE2 3.34Å; M204-Q208 WeakPolarHBondContact O-CG 3.44Å; M204-Q208 PolarHBondContact O-N 3.25Å; Y205-Q208 CarbonylContact O-C 3.53Å; Y205-Q208 PolarHBondContact O-N 3.37Å; T206-Q208 VanDerWaalsContact C-N 3.34Å; T206-Q208 PolarHBondContact O-N 2.8Å; Q208-N210 VanDerWaalsContact C-N 3.25Å; Q208-N210 PolarHBondContact O-N 3.29Å |
| 209 | K | 86.9 | Confident | 89.5 | Confident | 170 Ų | 170 | 53.5 Ų | 53.5 | 74% | 0.739 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.2 | -175.3 | -56.3 | -178.2 | 179.2 | 179.8 | 0 | 114.2 | Y205 T206 A207 N211 | Y205-K209 PolarHBondContact O-N 2.99Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-K209 VanDerWaalsContact O-N 3.13Å; A207-K209 VanDerWaalsContact C-N 3.26Å; A207-K209 PolarHBondContact O-N 3.5Å; K209-N211 PolarHBondContact O-N 2.83Å |
| 210 | N | 90.4 | Very high | 89.3 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | -91.3 | 85.3 | -179.9 | -168.5 | -21.3 | 0 | 0 | 0 | 112.4 | Y205 Q208 K212 K213 L214 | Y205-N210 HydrophobicContact CD1-CB 4Å; Y205-N210 PolarHBondContact O-N 2.92Å; Q208-N210 VanDerWaalsContact C-N 3.25Å; Q208-N210 PolarHBondContact O-N 3.29Å; N210-K212 PolarHBondContact O-N 3.28Å; N210-K213 PolarHBondContact O-N 3.35Å; N210-K213 PolarHBondContact OD1-N 2.66Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.03Å | ||
| 211 | N | 86.9 | Confident | 89 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -34 | -173.2 | -57 | -26.2 | 0 | 0 | 0 | 114.2 | K209 K213 L214 K215 R247 | K209-N211 PolarHBondContact O-N 2.83Å; N211-K213 PolarHBondContact O-N 3.27Å; N211-L214 PolarHBondContact O-N 2.88Å; N211-K215 PolarHBondContact O-N 3.45Å; N211-K215 VanDerWaalsContact O-N 3.1Å; N211-R247 PolarHBondContact ND2-NH1 3.17Å; N211-R247 PolarHBondContact OD1-NH1 3.31Å |
| 212 | K | 89.5 | Confident | 88.6 | Confident | 186 Ų | 186 | 59.5 Ų | 59.5 | 81% | 0.809 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | -178.4 | -67.9 | -175 | 178.7 | -177.7 | 0 | 111.6 | N210 A216 | N210-K212 PolarHBondContact O-N 3.28Å; K212-A216 PolarHBondContact O-N 3.29Å |
| 213 | K | 89.6 | Confident | 88 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 177.5 | -73.5 | -166.1 | 175 | -172 | 0 | 112.2 | Y205 N210 N211 K215 A216 L217 | Y205-K213 HydrophobicContact CD1-CB 4.31Å; Y205-K213 HydrophobicContact CD1-CD 3.99Å; Y205-K213 HydrophobicContact CD2-CB 4.19Å; Y205-K213 HydrophobicContact CE1-CB 4.42Å; Y205-K213 HydrophobicContact CE1-CD 3.33Å; Y205-K213 HydrophobicContact CE1-CG 4.49Å; Y205-K213 HydrophobicContact CE2-CB 4.29Å; Y205-K213 HydrophobicContact CE2-CD 3.93Å; Y205-K213 HydrophobicContact CG-CB 4.21Å; Y205-K213 WeakPolarHBondContact OH-CD 3.26Å; Y205-K213 PolarHBondContact OH-NZ 3.47Å; N210-K213 PolarHBondContact O-N 3.35Å; N210-K213 PolarHBondContact OD1-N 2.66Å; N211-K213 PolarHBondContact O-N 3.27Å; K213-K215 VanDerWaalsContact C-N 3.26Å; K213-K215 PolarHBondContact O-N 3.02Å; K213-A216 PolarHBondContact O-N 3.26Å; K213-L217 VanDerWaalsContact O-CG 3.32Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.47Å |
| 214 | L | 89.9 | Confident | 87.4 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 175.1 | -70 | 174 | 0 | 0 | 0 | 112 | I202 N210 N211 L217 Y218 | I202-L214 HydrophobicContact CB-CD2 4.29Å; I202-L214 HydrophobicContact CG1-CD2 4.3Å; I202-L214 HydrophobicContact CG2-CD2 4.16Å; I202-L214 WeakPolarHBondContact O-CD2 3.43Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.03Å; N211-L214 PolarHBondContact O-N 2.88Å; L214-L217 PolarHBondContact O-N 2.89Å; L214-Y218 WeakPolarHBondContact O-CB 3.43Å; L214-Y218 PolarHBondContact O-N 2.71Å |
| 215 | K | 89.5 | Confident | 85.8 | Confident | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 175.3 | 176.5 | 160.4 | -172.6 | 166 | 0 | 112.7 | N211 K213 L217 Y218 E219 M244 E248 | N211-K215 PolarHBondContact O-N 3.45Å; N211-K215 VanDerWaalsContact O-N 3.1Å; K213-K215 VanDerWaalsContact C-N 3.26Å; K213-K215 PolarHBondContact O-N 3.02Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.74Å; K215-Y218 PolarHBondContact O-N 2.95Å; K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 WeakPolarHBondContact O-CG 3.15Å; K215-E219 PolarHBondContact O-N 3.35Å; K215-M244 VanDerWaalsContact CA-SD 3.58Å; K215-M244 HydrophobicContact CB-CG 4.3Å; K215-M244 HydrophobicContact CB-SD 3.65Å; K215-M244 HydrophobicContact CD-SD 4.04Å; K215-M244 HydrophobicContact CG-SD 3.57Å; K215-M244 VanDerWaalsContact CG-SD 3.57Å; K215-E248 VanDerWaalsContact CD-OE1 3.27Å; K215-E248 WeakPolarHBondContact CD-OE1 3.48Å; K215-E248 WeakPolarHBondContact CE-OE1 3.44Å; K215-E248 IonicContact NZ-OE1 3.99Å; K215-E248 PolarHBondContact NZ-OE1 3.18Å; K215-E248 IonicContact NZ-OE2 3.93Å; K215-E248 PolarHBondContact NZ-OE2 3.13Å |
| 216 | A | 90.4 | Very high | 84.1 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K212 K213 E219 Q220 | K212-A216 PolarHBondContact O-N 3.29Å; K213-A216 PolarHBondContact O-N 3.26Å; A216-E219 PolarHBondContact O-N 2.73Å; A216-Q220 WeakPolarHBondContact O-CB 3.47Å; A216-Q220 VanDerWaalsContact O-CG 3.22Å; A216-Q220 WeakPolarHBondContact O-CG 3.47Å; A216-Q220 PolarHBondContact O-N 3.28Å |
| 217 | L | 90.3 | Very high | 83.1 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 178.4 | -70.5 | 171.9 | 0 | 0 | 0 | 112.6 | Y198 E201 I202 Y205 K213 L214 K215 Q220 S221 | Y198-L217 HydrophobicContact CD1-CD2 3.75Å; Y198-L217 HydrophobicContact CE1-CD2 3.99Å; E201-L217 HydrophobicContact CB-CD1 3.73Å; E201-L217 HydrophobicContact CB-CD2 4.44Å; E201-L217 WeakPolarHBondContact OE2-CD2 3.42Å; I202-L217 HydrophobicContact CG1-CB 4.19Å; I202-L217 HydrophobicContact CG1-CD1 4.27Å; Y205-L217 HydrophobicContact CD2-CD1 3.52Å; Y205-L217 HydrophobicContact CE2-CD1 3.84Å; K213-L217 VanDerWaalsContact O-CG 3.32Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.47Å; L214-L217 PolarHBondContact O-N 2.89Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.74Å; L217-Q220 PolarHBondContact O-N 3.19Å; L217-S221 WeakPolarHBondContact O-CB 3.28Å; L217-S221 PolarHBondContact O-N 3.45Å |
| 218 | Y | 89.8 | Confident | 82.1 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.4 | 176.7 | -102.8 | 0 | 0 | 0 | 111.1 | L214 K215 Q220 S221 L222 I237 R238 G241 M244 H245 D257 | L214-Y218 WeakPolarHBondContact O-CB 3.43Å; L214-Y218 PolarHBondContact O-N 2.71Å; K215-Y218 PolarHBondContact O-N 2.95Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 2.98Å; Y218-S221 PolarHBondContact O-N 3.46Å; Y218-S221 VanDerWaalsContact O-N 3.13Å; Y218-S221 PolarHBondContact O-OG 3.22Å; Y218-L222 HydrophobicContact CD1-CD1 4.25Å; Y218-L222 HydrophobicContact CE1-CD1 3.7Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD2 4.41Å; Y218-L222 WeakPolarHBondContact O-CG 3.44Å; Y218-L222 PolarHBondContact O-N 3.33Å; Y218-I237 HydrophobicContact CD2-CG2 4.12Å; Y218-R238 PolarHBondContact OH-NH1 3.37Å; Y218-G241 VanDerWaalsContact CD2-CA 3.47Å; Y218-M244 HydrophobicContact CD1-CE 3.57Å; Y218-M244 HydrophobicContact CD1-SD 4.12Å; Y218-M244 HydrophobicContact CE1-CE 3.87Å; Y218-M244 HydrophobicContact CG-CE 4.5Å; Y218-H245 AromaticContact CE1-CE1 3.62Å; Y218-D257 PolarHBondContact OH-OD1 3.14Å; Y218-D257 PolarHBondContact OH-OD2 3.12Å |
| 219 | E | 87.5 | Confident | 81.3 | Confident | 93 Ų | 93 | 77.5 Ų | 77.5 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.3 | -70.9 | 173.9 | 178.7 | 0 | 0 | 111.9 | K215 A216 S221 L222 H223 | K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 WeakPolarHBondContact O-CG 3.15Å; K215-E219 PolarHBondContact O-N 3.35Å; A216-E219 PolarHBondContact O-N 2.73Å; E219-S221 PolarHBondContact O-N 2.99Å; E219-L222 PolarHBondContact O-N 3.46Å; E219-H223 PolarHBondContact O-CD2 2.92Å |
| 220 | Q | 85.8 | Confident | 81 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.4 | -74.6 | 171.7 | -2.5 | 0 | 0 | 112.4 | Y198 A216 L217 Y218 L222 H223 | Y198-Q220 HydrophobicContact CE2-CB 4.2Å; A216-Q220 WeakPolarHBondContact O-CB 3.47Å; A216-Q220 VanDerWaalsContact O-CG 3.22Å; A216-Q220 WeakPolarHBondContact O-CG 3.47Å; A216-Q220 PolarHBondContact O-N 3.28Å; L217-Q220 PolarHBondContact O-N 3.19Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 2.98Å; Q220-L222 VanDerWaalsContact C-N 3.26Å; Q220-L222 PolarHBondContact O-N 3.49Å; Q220-H223 PolarHBondContact O-N 3.17Å |
| 221 | S | 85.2 | Confident | 80.7 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 6% | 0.056 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 179 | 77.3 | 0 | 0 | 0 | 0 | 113.2 | L217 Y218 E219 H223 I224 I237 | L217-S221 WeakPolarHBondContact O-CB 3.28Å; L217-S221 PolarHBondContact O-N 3.45Å; Y218-S221 PolarHBondContact O-N 3.46Å; Y218-S221 VanDerWaalsContact O-N 3.13Å; Y218-S221 PolarHBondContact O-OG 3.22Å; E219-S221 PolarHBondContact O-N 2.99Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 2.85Å; S221-I224 PolarHBondContact O-N 2.95Å; S221-I237 WeakPolarHBondContact OG-CG2 3.46Å |
| 222 | L | 81.6 | Confident | 80.7 | Confident | 69 Ų | 69 | 73.5 Ų | 73.5 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.6 | -22.6 | 178.5 | -68.2 | 174.6 | 0 | 0 | 0 | 113.3 | Y218 E219 Q220 I224 | Y218-L222 HydrophobicContact CD1-CD1 4.25Å; Y218-L222 HydrophobicContact CE1-CD1 3.7Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD2 4.41Å; Y218-L222 WeakPolarHBondContact O-CG 3.44Å; Y218-L222 PolarHBondContact O-N 3.33Å; E219-L222 PolarHBondContact O-N 3.46Å; Q220-L222 VanDerWaalsContact C-N 3.26Å; Q220-L222 PolarHBondContact O-N 3.49Å; L222-I224 VanDerWaalsContact C-N 3.28Å |
| 223 | H | 79.2 | Confident | 80.7 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 69% | 0.694 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.5 | -22.2 | 175.8 | -68.4 | -68.6 | 0 | 0 | 0 | 112.2 | E219 Q220 S221 K225 | E219-H223 PolarHBondContact O-CD2 2.92Å; Q220-H223 PolarHBondContact O-N 3.17Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 2.85Å; H223-K225 VanDerWaalsContact C-N 3.3Å; H223-K225 PolarHBondContact O-N 3.5Å |
| 224 | I | 76.8 | Confident | 80.6 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | trans | -86.6 | 67.9 | -179.7 | -49.4 | 172.4 | 0 | 0 | 0 | 109.9 | L194 L195 Y198 S221 L222 A227 | L194-I224 HydrophobicContact CB-CD1 4.06Å; L194-I224 HydrophobicContact CD2-CD1 3.47Å; L194-I224 VanDerWaalsContact CD2-CD1 3.47Å; L194-I224 HydrophobicContact CD2-CG1 4.39Å; L194-I224 HydrophobicContact CG-CD1 3.65Å; L195-I224 HydrophobicContact CD1-CB 4.48Å; L195-I224 HydrophobicContact CD1-CG2 4.06Å; L195-I224 HydrophobicContact CD2-CB 4.25Å; L195-I224 HydrophobicContact CD2-CD1 4.14Å; L195-I224 HydrophobicContact CG-CB 4.31Å; L195-I224 HydrophobicContact CG-CD1 4.22Å; L195-I224 HydrophobicContact CG-CG2 4.09Å; Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CE2-CD1 3.49Å; Y198-I224 VanDerWaalsContact CE2-CD1 3.49Å; S221-I224 PolarHBondContact O-N 2.95Å; L222-I224 VanDerWaalsContact C-N 3.28Å; I224-A227 HydrophobicContact CG2-CB 4Å | ||
| 225 | K | 58.4 | Low | 80.6 | Confident | 188 Ų | 188 | 62.9 Ų | 62.9 | 82% | 0.817 | 33% | 0.325 | S | S | * | . | trans | -84.4 | -19.3 | 179.4 | -84 | -177.3 | 178.7 | -179.5 | 0 | 115.2 | H223 A227 | H223-K225 VanDerWaalsContact C-N 3.3Å; H223-K225 PolarHBondContact O-N 3.5Å; K225-A227 VanDerWaalsContact C-N 3.33Å | ||
| 226 | S | 55.6 | Low | 80.6 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -84.9 | -4.9 | -173.8 | -167.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | A | 65.6 | Low | 80.7 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | trans | -97.5 | 137.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | L195 I224 K225 P229 | L195-A227 HydrophobicContact CD1-CB 4.14Å; I224-A227 HydrophobicContact CG2-CB 4Å; K225-A227 VanDerWaalsContact C-N 3.33Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å | ||
| 228 | I | 67.1 | Low | 80.8 | Confident | 159 Ų | 159 | 60.1 Ų | 60.1 | 82% | 0.815 | 31% | 0.305 | S | S | * | . | trans | -96.7 | 94 | 167.8 | -56.9 | 171.5 | 0 | 0 | 0 | 106.2 | ||||
| 229 | P | 70.7 | Confident | 80.9 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -75.7 | 165 | 175.8 | 33.9 | -38.4 | 0 | 0 | 0 | 111.5 | L195 A227 I233 M234 | L195-P229 HydrophobicContact CB-CB 4.5Å; L195-P229 HydrophobicContact CD1-CB 3.89Å; L195-P229 HydrophobicContact CD1-CG 3.82Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-I233 HydrophobicContact CB-CB 4.46Å; P229-M234 HydrophobicContact CG-CB 4.12Å; P229-M234 HydrophobicContact CG-CE 3.44Å; P229-M234 VanDerWaalsContact CG-CE 3.44Å | ||
| 230 | H | 80.5 | Confident | 81.1 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | trans | -61.1 | 137.6 | 168.7 | -170.6 | -79.5 | 0 | 0 | 0 | 109.9 | L232 I233 M234 | H230-L232 WeakPolarHBondContact ND1-CB 3.5Å; H230-L232 PolarHBondContact ND1-N 3.5Å; H230-L232 PolarHBondContact O-N 3.4Å; H230-L232 VanDerWaalsContact O-N 3.11Å; H230-I233 HydrophobicContact CB-CD1 3.72Å; H230-I233 HydrophobicContact CB-CG1 4.25Å; H230-I233 WeakPolarHBondContact O-CB 3.39Å; H230-I233 PolarHBondContact O-N 2.78Å; H230-M234 PolarHBondContact O-N 3.42Å | ||
| 231 | P | 85.2 | Confident | 81.3 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -49.2 | -43.9 | -176.9 | -30.2 | 34.6 | 0 | 0 | 0 | 113.2 | I233 M234 G235 N264 E267 | P231-I233 VanDerWaalsContact C-N 3.31Å; P231-I233 PolarHBondContact O-N 3.47Å; P231-M234 PolarHBondContact O-N 3.31Å; P231-G235 PolarHBondContact O-N 3.19Å; P231-N264 HydrophobicContact CB-CB 4.37Å; P231-N264 WeakPolarHBondContact O-CB 3.32Å; P231-E267 HydrophobicContact CB-CB 4.47Å |
| 232 | L | 87.4 | Confident | 81.7 | Confident | 69 Ų | 69 | 52 Ų | 52 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -52.9 | -41.5 | 176.5 | -174.7 | 65.2 | 0 | 0 | 0 | 114.5 | H230 V236 Y265 | H230-L232 WeakPolarHBondContact ND1-CB 3.5Å; H230-L232 PolarHBondContact ND1-N 3.5Å; H230-L232 PolarHBondContact O-N 3.4Å; H230-L232 VanDerWaalsContact O-N 3.11Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.49Å; L232-Y265 HydrophobicContact CD1-CD1 4.09Å; L232-Y265 HydrophobicContact CD1-CE1 3.93Å |
| 233 | I | 88.1 | Confident | 82.2 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70 | -46.2 | -178.7 | -59.7 | 158.4 | 0 | 0 | 0 | 109.2 | L195 E196 A199 P229 H230 P231 G235 V236 I237 | L195-I233 HydrophobicContact CB-CG2 4.2Å; L195-I233 WeakPolarHBondContact O-CG2 3.42Å; E196-I233 HydrophobicContact CG-CD1 3.26Å; E196-I233 HydrophobicContact CG-CG1 4.1Å; A199-I233 HydrophobicContact CB-CG2 3.8Å; P229-I233 HydrophobicContact CB-CB 4.46Å; H230-I233 HydrophobicContact CB-CD1 3.72Å; H230-I233 HydrophobicContact CB-CG1 4.25Å; H230-I233 WeakPolarHBondContact O-CB 3.39Å; H230-I233 PolarHBondContact O-N 2.78Å; P231-I233 VanDerWaalsContact C-N 3.31Å; P231-I233 PolarHBondContact O-N 3.47Å; I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.03Å; I233-V236 PolarHBondContact O-N 2.9Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 3.37Å; I233-I237 VanDerWaalsContact O-N 3.15Å |
| 234 | M | 87.3 | Confident | 82.7 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.2 | -171.6 | 59.5 | 82.7 | 0 | 0 | 111 | P229 H230 P231 V236 I237 R238 | P229-M234 HydrophobicContact CG-CB 4.12Å; P229-M234 HydrophobicContact CG-CE 3.44Å; P229-M234 VanDerWaalsContact CG-CE 3.44Å; H230-M234 PolarHBondContact O-N 3.42Å; P231-M234 PolarHBondContact O-N 3.31Å; M234-V236 VanDerWaalsContact C-N 3.34Å; M234-V236 PolarHBondContact O-N 3Å; M234-I237 PolarHBondContact O-N 3.36Å; M234-R238 HydrophobicContact CG-CG 4.2Å; M234-R238 WeakPolarHBondContact O-CB 3.2Å; M234-R238 VanDerWaalsContact O-CG 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.07Å; M234-R238 HydrophobicContact SD-CG 4.2Å |
| 235 | G | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.9 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P231 I233 R238 E239 Y265 | P231-G235 PolarHBondContact O-N 3.19Å; I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.03Å; G235-R238 PolarHBondContact O-N 3.21Å; G235-E239 VanDerWaalsContact O-CB 3.3Å; G235-E239 WeakPolarHBondContact O-CB 3.21Å; G235-E239 PolarHBondContact O-N 3.38Å; G235-Y265 PolarHBondContact O-OH 2.98Å |
| 236 | V | 91 | Very high | 85 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | A199 I202 Q203 L232 I233 M234 C240 Y265 | A199-V236 HydrophobicContact CB-CG1 4.23Å; I202-V236 HydrophobicContact CG2-CG1 4.39Å; Q203-V236 HydrophobicContact CG-CG1 4.04Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.49Å; I233-V236 PolarHBondContact O-N 2.9Å; M234-V236 VanDerWaalsContact C-N 3.34Å; M234-V236 PolarHBondContact O-N 3Å; V236-C240 PolarHBondContact O-N 2.89Å; V236-Y265 WeakPolarHBondContact CA-OH 3.3Å; V236-Y265 HydrophobicContact CG2-CE1 4.36Å; V236-Y265 WeakPolarHBondContact CG2-OH 3.49Å; V236-Y265 PolarHBondContact N-OH 3.43Å |
| 237 | I | 91.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | -179.9 | -64 | 171.8 | 0 | 0 | 0 | 110.1 | L195 A199 I202 Y218 S221 I233 M234 C240 G241 | L195-I237 HydrophobicContact CB-CD1 4.16Å; L195-I237 HydrophobicContact CD2-CD1 3.58Å; L195-I237 HydrophobicContact CG-CD1 4.46Å; A199-I237 HydrophobicContact CB-CG1 4.23Å; I202-I237 HydrophobicContact CD1-CB 4.38Å; I202-I237 HydrophobicContact CD1-CG1 4.06Å; I202-I237 HydrophobicContact CD1-CG2 4.29Å; Y218-I237 HydrophobicContact CD2-CG2 4.12Å; S221-I237 WeakPolarHBondContact OG-CG2 3.46Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 3.37Å; I233-I237 VanDerWaalsContact O-N 3.15Å; M234-I237 PolarHBondContact O-N 3.36Å; I237-C240 WeakPolarHBondContact O-CB 3.37Å; I237-C240 PolarHBondContact O-N 3.05Å; I237-G241 PolarHBondContact O-N 3.41Å |
| 238 | R | 91.9 | Very high | 87.6 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.7 | -71.2 | -66.2 | -164.1 | -167.5 | 1.9 | 112.7 | Y218 M234 G235 C240 G241 G242 D257 E260 A261 | Y218-R238 PolarHBondContact OH-NH1 3.37Å; M234-R238 HydrophobicContact CG-CG 4.2Å; M234-R238 WeakPolarHBondContact O-CB 3.2Å; M234-R238 VanDerWaalsContact O-CG 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.07Å; M234-R238 HydrophobicContact SD-CG 4.2Å; G235-R238 PolarHBondContact O-N 3.21Å; R238-C240 VanDerWaalsContact C-N 3.26Å; R238-C240 PolarHBondContact O-N 3.48Å; R238-G241 PolarHBondContact O-N 3.41Å; R238-G241 VanDerWaalsContact O-N 3.13Å; R238-G242 PolarHBondContact O-N 2.99Å; R238-D257 WeakPolarHBondContact CD-OD1 3.35Å; R238-D257 IonicContact CZ-OD1 2.8Å; R238-D257 IonicContact NE-OD1 3.05Å; R238-D257 IonicContact NH1-OD1 2.69Å; R238-D257 PolarHBondContact NH1-OD1 3.15Å; R238-E260 HydrophobicContact CG-CB 4.41Å; R238-E260 IonicContact CZ-OE2 2.97Å; R238-E260 IonicContact NE-OE2 2.8Å; R238-E260 PolarHBondContact NE-OE2 3.03Å; R238-E260 IonicContact NH2-OE1 3.2Å; R238-E260 IonicContact NH2-OE2 2.74Å; R238-E260 PolarHBondContact NH2-OE2 3.11Å; R238-A261 HydrophobicContact CB-CB 3.71Å |
| 239 | E | 93.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -42.4 | 174.4 | -167.9 | -157.3 | 143.6 | 0 | 0 | 110.9 | G235 G242 K243 F258 A261 Y265 R272 | G235-E239 VanDerWaalsContact O-CB 3.3Å; G235-E239 WeakPolarHBondContact O-CB 3.21Å; G235-E239 PolarHBondContact O-N 3.38Å; E239-G242 PolarHBondContact O-N 3.13Å; E239-K243 WeakPolarHBondContact O-CG 3.31Å; E239-K243 PolarHBondContact O-N 3.24Å; E239-K243 VanDerWaalsContact O-N 3.09Å; E239-K243 WeakPolarHBondContact OE1-CE 3.15Å; E239-K243 IonicContact OE1-NZ 2.83Å; E239-K243 PolarHBondContact OE1-NZ 3.11Å; E239-F258 HydrophobicContact CG-CE1 4.49Å; E239-A261 HydrophobicContact CB-CB 4.4Å; E239-Y265 HydrophobicContact CB-CE2 4.28Å; E239-Y265 PolarHBondContact OE2-OH 3.34Å; E239-R272 IonicContact OE2-NH1 3.76Å; E239-R272 PolarHBondContact OE2-NH1 3.14Å |
| 240 | C | 91.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | I202 V236 I237 R238 G242 K243 M244 | I202-C240 HydrophobicContact CD1-CB 4.39Å; I202-C240 HydrophobicContact CG2-CB 3.5Å; V236-C240 PolarHBondContact O-N 2.89Å; I237-C240 WeakPolarHBondContact O-CB 3.37Å; I237-C240 PolarHBondContact O-N 3.05Å; R238-C240 VanDerWaalsContact C-N 3.26Å; R238-C240 PolarHBondContact O-N 3.48Å; C240-G242 VanDerWaalsContact C-N 3.34Å; C240-G242 PolarHBondContact O-N 3.39Å; C240-K243 PolarHBondContact O-N 2.89Å; C240-M244 WeakPolarHBondContact O-CB 3.28Å; C240-M244 PolarHBondContact O-N 2.78Å |
| 241 | G | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y218 I237 R238 K243 M244 H245 | Y218-G241 VanDerWaalsContact CD2-CA 3.47Å; I237-G241 PolarHBondContact O-N 3.41Å; R238-G241 PolarHBondContact O-N 3.41Å; R238-G241 VanDerWaalsContact O-N 3.13Å; G241-K243 PolarHBondContact O-N 3.26Å; G241-M244 WeakPolarHBondContact O-CB 3.47Å; G241-M244 PolarHBondContact O-N 3.05Å; G241-H245 PolarHBondContact O-N 3.49Å; G241-H245 PolarHBondContact O-ND1 3.06Å |
| 242 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R238 E239 C240 M244 H245 L246 | R238-G242 PolarHBondContact O-N 2.99Å; E239-G242 PolarHBondContact O-N 3.13Å; C240-G242 VanDerWaalsContact C-N 3.34Å; C240-G242 PolarHBondContact O-N 3.39Å; G242-M244 VanDerWaalsContact C-N 3.33Å; G242-M244 PolarHBondContact O-N 3.13Å; G242-H245 PolarHBondContact O-N 2.83Å; G242-L246 WeakPolarHBondContact O-CB 3.27Å; G242-L246 PolarHBondContact O-N 3.05Å |
| 243 | K | 91.8 | Very high | 90.6 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 177 | -74.1 | 176.3 | 169.4 | 170.3 | 0 | 112.7 | E239 C240 G241 R247 F258 Y279 F342 | E239-K243 WeakPolarHBondContact O-CG 3.31Å; E239-K243 PolarHBondContact O-N 3.24Å; E239-K243 VanDerWaalsContact O-N 3.09Å; E239-K243 WeakPolarHBondContact OE1-CE 3.15Å; E239-K243 IonicContact OE1-NZ 2.83Å; E239-K243 PolarHBondContact OE1-NZ 3.11Å; C240-K243 PolarHBondContact O-N 2.89Å; G241-K243 PolarHBondContact O-N 3.26Å; K243-R247 WeakPolarHBondContact O-CG 3.33Å; K243-R247 PolarHBondContact O-N 3.19Å; K243-F258 HydrophobicContact CG-CE1 4.06Å; K243-F258 HydrophobicContact CG-CZ 3.88Å; K243-F258 VanDerWaalsContact N-CZ 3.3Å; K243-Y279 PolarHBondContact NZ-OH 2.86Å; K243-F342 HydrophobicContact CB-CE2 3.88Å; K243-F342 HydrophobicContact CB-CZ 3.99Å; K243-F342 HydrophobicContact CG-CD2 4.29Å; K243-F342 HydrophobicContact CG-CE1 4.07Å; K243-F342 HydrophobicContact CG-CE2 3.8Å; K243-F342 HydrophobicContact CG-CZ 3.67Å |
| 244 | M | 90.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -54.2 | 175.6 | 177.9 | -159.4 | 73.8 | 0 | 0 | 111 | K215 Y218 C240 G241 G242 L246 R247 E248 | K215-M244 VanDerWaalsContact CA-SD 3.58Å; K215-M244 HydrophobicContact CB-CG 4.3Å; K215-M244 HydrophobicContact CB-SD 3.65Å; K215-M244 HydrophobicContact CD-SD 4.04Å; K215-M244 HydrophobicContact CG-SD 3.57Å; K215-M244 VanDerWaalsContact CG-SD 3.57Å; Y218-M244 HydrophobicContact CD1-CE 3.57Å; Y218-M244 HydrophobicContact CD1-SD 4.12Å; Y218-M244 HydrophobicContact CE1-CE 3.87Å; Y218-M244 HydrophobicContact CG-CE 4.5Å; C240-M244 WeakPolarHBondContact O-CB 3.28Å; C240-M244 PolarHBondContact O-N 2.78Å; G241-M244 WeakPolarHBondContact O-CB 3.47Å; G241-M244 PolarHBondContact O-N 3.05Å; G242-M244 VanDerWaalsContact C-N 3.33Å; G242-M244 PolarHBondContact O-N 3.13Å; M244-L246 VanDerWaalsContact C-N 3.26Å; M244-L246 PolarHBondContact O-N 3.02Å; M244-R247 WeakPolarHBondContact O-CB 3.29Å; M244-R247 PolarHBondContact O-N 3.49Å; M244-E248 PolarHBondContact O-N 3.19Å |
| 245 | H | 92 | Very high | 91.1 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.4 | -37.7 | -179.6 | -72.2 | 135.5 | 0 | 0 | 0 | 112.3 | Y218 G241 G242 R247 E248 G249 E250 K253 A254 D257 | Y218-H245 AromaticContact CE1-CE1 3.62Å; G241-H245 PolarHBondContact O-N 3.49Å; G241-H245 PolarHBondContact O-ND1 3.06Å; G242-H245 PolarHBondContact O-N 2.83Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 3.06Å; H245-E248 PolarHBondContact O-N 3.28Å; H245-E248 VanDerWaalsContact O-N 3.15Å; H245-G249 PolarHBondContact O-N 3.46Å; H245-G249 VanDerWaalsContact O-N 3.17Å; H245-E250 HydrophobicContact CB-CB 4.26Å; H245-E250 IonicContact CD2-OE2 3.67Å; H245-E250 PolarHBondContact CD2-OE2 3.18Å; H245-E250 IonicContact NE2-OE2 2.79Å; H245-E250 PolarHBondContact O-N 3.33Å; H245-K253 HydrophobicContact CB-CB 4.34Å; H245-A254 HydrophobicContact CB-CB 3.76Å; H245-D257 IonicContact CE1-OD2 2.94Å; H245-D257 PolarHBondContact CE1-OD2 3.46Å; H245-D257 IonicContact ND1-OD2 2.74Å; H245-D257 PolarHBondContact ND1-OD2 3.03Å |
| 246 | L | 90.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | 177.2 | -150.8 | 77 | 0 | 0 | 0 | 112.5 | G242 M244 E248 G249 F251 A254 L282 A283 L286 F342 | G242-L246 WeakPolarHBondContact O-CB 3.27Å; G242-L246 PolarHBondContact O-N 3.05Å; M244-L246 VanDerWaalsContact C-N 3.26Å; M244-L246 PolarHBondContact O-N 3.02Å; L246-E248 VanDerWaalsContact C-N 3.34Å; L246-G249 PolarHBondContact O-N 3.35Å; L246-F251 HydrophobicContact CD1-CD1 3.77Å; L246-F251 HydrophobicContact CD1-CE1 4.31Å; L246-F251 HydrophobicContact CG-CD1 4.46Å; L246-A254 HydrophobicContact CB-CB 4.26Å; L246-A254 HydrophobicContact CD1-CB 3.79Å; L246-L282 HydrophobicContact CD2-CD2 4.06Å; L246-A283 HydrophobicContact CD1-CB 3.98Å; L246-L286 HydrophobicContact CD1-CD1 3.88Å; L246-L286 HydrophobicContact CD2-CD1 4.12Å; L246-L286 HydrophobicContact CG-CD1 4.16Å; L246-F342 HydrophobicContact CB-CZ 3.98Å; L246-F342 HydrophobicContact CD2-CE1 3.64Å; L246-F342 HydrophobicContact CD2-CE2 4.39Å; L246-F342 HydrophobicContact CD2-CZ 3.38Å; L246-F342 HydrophobicContact CG-CZ 4.31Å |
| 247 | R | 88.3 | Confident | 91.3 | Very high | 113 Ų | 113 | 41.4 Ų | 41.4 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.2 | -25.5 | 176.2 | -72.9 | 176.9 | 168.9 | 171.7 | -2.7 | 113.5 | N211 K243 M244 H245 G249 E345 | N211-R247 PolarHBondContact ND2-NH1 3.17Å; N211-R247 PolarHBondContact OD1-NH1 3.31Å; K243-R247 WeakPolarHBondContact O-CG 3.33Å; K243-R247 PolarHBondContact O-N 3.19Å; M244-R247 WeakPolarHBondContact O-CB 3.29Å; M244-R247 PolarHBondContact O-N 3.49Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 3.06Å; R247-G249 VanDerWaalsContact C-N 3.28Å; R247-E345 IonicContact NH2-OE2 3.91Å |
| 248 | E | 87.9 | Confident | 91.4 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.9 | 175 | -61.7 | -166 | 161.6 | 0 | 0 | 112.7 | K215 M244 H245 L246 E250 | K215-E248 VanDerWaalsContact CD-OE1 3.27Å; K215-E248 WeakPolarHBondContact CD-OE1 3.48Å; K215-E248 WeakPolarHBondContact CE-OE1 3.44Å; K215-E248 IonicContact NZ-OE1 3.99Å; K215-E248 PolarHBondContact NZ-OE1 3.18Å; K215-E248 IonicContact NZ-OE2 3.93Å; K215-E248 PolarHBondContact NZ-OE2 3.13Å; M244-E248 PolarHBondContact O-N 3.19Å; H245-E248 PolarHBondContact O-N 3.28Å; H245-E248 VanDerWaalsContact O-N 3.15Å; L246-E248 VanDerWaalsContact C-N 3.34Å; E248-E250 VanDerWaalsContact C-N 3.27Å; E248-E250 HydrophobicContact CB-CG 4.46Å |
| 249 | G | 87.4 | Confident | 91.4 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 8.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H245 L246 R247 F251 | H245-G249 PolarHBondContact O-N 3.46Å; H245-G249 VanDerWaalsContact O-N 3.17Å; L246-G249 PolarHBondContact O-N 3.35Å; R247-G249 VanDerWaalsContact C-N 3.28Å; G249-F251 VanDerWaalsContact C-N 3.28Å; G249-F251 WeakPolarHBondContact O-CD2 3.24Å; G249-F251 PolarHBondContact O-N 3.48Å |
| 250 | E | 92.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | trans | -84.7 | 68 | 177.2 | -63.2 | -167.3 | 149.1 | 0 | 0 | 110.8 | H245 E248 E252 K253 A254 | H245-E250 HydrophobicContact CB-CB 4.26Å; H245-E250 IonicContact CD2-OE2 3.67Å; H245-E250 PolarHBondContact CD2-OE2 3.18Å; H245-E250 IonicContact NE2-OE2 2.79Å; H245-E250 PolarHBondContact O-N 3.33Å; E248-E250 VanDerWaalsContact C-N 3.27Å; E248-E250 HydrophobicContact CB-CG 4.46Å; E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 2.85Å; E250-K253 HydrophobicContact CB-CB 4.47Å; E250-K253 PolarHBondContact O-N 3.33Å; E250-K253 IonicContact OE1-NZ 3.79Å; E250-K253 PolarHBondContact OE1-NZ 3.45Å; E250-K253 VanDerWaalsContact OE2-CD 3.29Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.89Å; E250-K253 PolarHBondContact OE2-NZ 2.64Å; E250-A254 PolarHBondContact O-N 2.93Å | ||
| 251 | F | 91.2 | Very high | 91.3 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 20% | 0.197 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -34.5 | -171.9 | -54.8 | -59.1 | 0 | 0 | 0 | 114.3 | L246 G249 A254 H255 L286 M287 | L246-F251 HydrophobicContact CD1-CD1 3.77Å; L246-F251 HydrophobicContact CD1-CE1 4.31Å; L246-F251 HydrophobicContact CG-CD1 4.46Å; G249-F251 VanDerWaalsContact C-N 3.28Å; G249-F251 WeakPolarHBondContact O-CD2 3.24Å; G249-F251 PolarHBondContact O-N 3.48Å; F251-A254 PolarHBondContact O-N 2.92Å; F251-H255 WeakPolarHBondContact O-CB 3.33Å; F251-H255 PolarHBondContact O-N 3.13Å; F251-L286 HydrophobicContact CD1-CB 3.65Å; F251-L286 HydrophobicContact CD1-CD1 4.13Å; F251-L286 HydrophobicContact CD1-CG 4.44Å; F251-L286 HydrophobicContact CE1-CB 3.91Å; F251-L286 HydrophobicContact CE1-CD1 3.96Å; F251-L286 HydrophobicContact CE1-CD2 4.41Å; F251-L286 HydrophobicContact CE1-CG 4.32Å; F251-L286 HydrophobicContact CG-CB 4.02Å; F251-L286 HydrophobicContact CZ-CB 4.47Å; F251-M287 HydrophobicContact CB-CB 4.26Å |
| 252 | E | 90.7 | Very high | 91.4 | Very high | 146 Ų | 146 | 44.4 Ų | 44.4 | 68% | 0.682 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.8 | -44.4 | -180 | -172.3 | 173.4 | -170.7 | 0 | 0 | 111.8 | E250 H255 T256 M287 | E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 2.85Å; E252-H255 WeakPolarHBondContact O-CB 3.49Å; E252-H255 PolarHBondContact O-N 2.82Å; E252-T256 PolarHBondContact O-N 2.99Å; E252-T256 VanDerWaalsContact O-N 3.12Å; E252-M287 HydrophobicContact CB-SD 4.18Å; E252-M287 HydrophobicContact CG-SD 4.17Å |
| 253 | K | 91.8 | Very high | 91.3 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 174.7 | -63.1 | -167.9 | -157.7 | 151.5 | 0 | 111.2 | H245 E250 H255 T256 D257 | H245-K253 HydrophobicContact CB-CB 4.34Å; E250-K253 HydrophobicContact CB-CB 4.47Å; E250-K253 PolarHBondContact O-N 3.33Å; E250-K253 IonicContact OE1-NZ 3.79Å; E250-K253 PolarHBondContact OE1-NZ 3.45Å; E250-K253 VanDerWaalsContact OE2-CD 3.29Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.89Å; E250-K253 PolarHBondContact OE2-NZ 2.64Å; K253-H255 VanDerWaalsContact C-N 3.29Å; K253-H255 PolarHBondContact O-N 3.16Å; K253-T256 WeakPolarHBondContact CA-OG1 3.44Å; K253-T256 PolarHBondContact O-N 3.47Å; K253-T256 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-OG1 3.25Å; K253-D257 PolarHBondContact O-N 3.46Å |
| 254 | A | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H245 L246 E250 F251 T256 D257 F258 A283 | H245-A254 HydrophobicContact CB-CB 3.76Å; L246-A254 HydrophobicContact CB-CB 4.26Å; L246-A254 HydrophobicContact CD1-CB 3.79Å; E250-A254 PolarHBondContact O-N 2.93Å; F251-A254 PolarHBondContact O-N 2.92Å; A254-T256 PolarHBondContact O-N 3.47Å; A254-D257 PolarHBondContact O-N 2.92Å; A254-F258 HydrophobicContact CB-CD2 4.42Å; A254-F258 HydrophobicContact CB-CE2 4.31Å; A254-F258 WeakPolarHBondContact O-CB 3.48Å; A254-F258 WeakPolarHBondContact O-CD2 3.17Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.33Å; A254-A283 HydrophobicContact CB-CB 4.48Å |
| 255 | H | 92.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 18% | 0.181 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.4 | 177 | -85.4 | 0 | 0 | 0 | 111.8 | F251 E252 K253 F258 F259 A283 N284 M287 | F251-H255 WeakPolarHBondContact O-CB 3.33Å; F251-H255 PolarHBondContact O-N 3.13Å; E252-H255 WeakPolarHBondContact O-CB 3.49Å; E252-H255 PolarHBondContact O-N 2.82Å; K253-H255 VanDerWaalsContact C-N 3.29Å; K253-H255 PolarHBondContact O-N 3.16Å; H255-F258 PolarHBondContact O-N 2.93Å; H255-F259 VanDerWaalsContact O-CB 3.3Å; H255-F259 WeakPolarHBondContact O-CB 3.45Å; H255-F259 PolarHBondContact O-N 3.27Å; H255-A283 HydrophobicContact CB-CB 4.32Å; H255-N284 PolarHBondContact NE2-ND2 3.15Å; H255-M287 HydrophobicContact CB-SD 4.32Å |
| 256 | T | 91.3 | Very high | 91.3 | Very high | 71 Ų | 71 | 48 Ų | 48 | 44% | 0.436 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -44 | 178 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | E252 K253 A254 F259 E260 | E252-T256 PolarHBondContact O-N 2.99Å; E252-T256 VanDerWaalsContact O-N 3.12Å; K253-T256 WeakPolarHBondContact CA-OG1 3.44Å; K253-T256 PolarHBondContact O-N 3.47Å; K253-T256 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-OG1 3.25Å; A254-T256 PolarHBondContact O-N 3.47Å; T256-F259 PolarHBondContact O-N 3.19Å; T256-E260 PolarHBondContact O-N 3.28Å |
| 257 | D | 93.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.6 | -83.2 | -41.8 | 0 | 0 | 0 | 112 | Y218 R238 H245 K253 A254 F259 E260 A261 | Y218-D257 PolarHBondContact OH-OD1 3.14Å; Y218-D257 PolarHBondContact OH-OD2 3.12Å; R238-D257 WeakPolarHBondContact CD-OD1 3.35Å; R238-D257 IonicContact CZ-OD1 2.8Å; R238-D257 IonicContact NE-OD1 3.05Å; R238-D257 IonicContact NH1-OD1 2.69Å; R238-D257 PolarHBondContact NH1-OD1 3.15Å; H245-D257 IonicContact CE1-OD2 2.94Å; H245-D257 PolarHBondContact CE1-OD2 3.46Å; H245-D257 IonicContact ND1-OD2 2.74Å; H245-D257 PolarHBondContact ND1-OD2 3.03Å; K253-D257 PolarHBondContact O-N 3.46Å; A254-D257 PolarHBondContact O-N 2.92Å; D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 2.89Å; D257-E260 PolarHBondContact O-N 2.79Å; D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.4Å; D257-A261 PolarHBondContact O-N 3.07Å |
| 258 | F | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -33.4 | 177 | -73.9 | -50.9 | 0 | 0 | 0 | 112.4 | E239 K243 A254 H255 A261 F262 Y279 L280 A283 F342 | E239-F258 HydrophobicContact CG-CE1 4.49Å; K243-F258 HydrophobicContact CG-CE1 4.06Å; K243-F258 HydrophobicContact CG-CZ 3.88Å; K243-F258 VanDerWaalsContact N-CZ 3.3Å; A254-F258 HydrophobicContact CB-CD2 4.42Å; A254-F258 HydrophobicContact CB-CE2 4.31Å; A254-F258 WeakPolarHBondContact O-CB 3.48Å; A254-F258 WeakPolarHBondContact O-CD2 3.17Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.33Å; H255-F258 PolarHBondContact O-N 2.93Å; F258-A261 PolarHBondContact O-N 3.38Å; F258-F262 VanDerWaalsContact O-CB 3.28Å; F258-F262 WeakPolarHBondContact O-CB 3.37Å; F258-F262 PolarHBondContact O-N 3.21Å; F258-Y279 HydrophobicContact CD1-CD2 4.45Å; F258-Y279 AromaticContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CG 4.1Å; F258-Y279 HydrophobicContact CZ-CD2 4.45Å; F258-Y279 HydrophobicContact CZ-CG 4.27Å; F258-L280 HydrophobicContact CB-CB 4.07Å; F258-L280 HydrophobicContact CB-CD1 4.16Å; F258-A283 HydrophobicContact CD2-CB 3.93Å; F258-A283 HydrophobicContact CE2-CB 4.36Å; F258-F342 HydrophobicContact CZ-CE1 4.21Å; F258-F342 HydrophobicContact CZ-CZ 4.3Å |
| 259 | F | 91.5 | Very high | 91.1 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 25% | 0.254 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.9 | -46.7 | 176.2 | -171.7 | -106.2 | 0 | 0 | 0 | 111.2 | H255 T256 D257 A261 F262 K263 L280 | H255-F259 VanDerWaalsContact O-CB 3.3Å; H255-F259 WeakPolarHBondContact O-CB 3.45Å; H255-F259 PolarHBondContact O-N 3.27Å; T256-F259 PolarHBondContact O-N 3.19Å; D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 2.89Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.31Å; F259-F262 PolarHBondContact O-N 3.22Å; F259-K263 HydrophobicContact CD1-CD 4.22Å; F259-K263 HydrophobicContact CE1-CD 3.73Å; F259-K263 HydrophobicContact CE1-CG 4.43Å; F259-K263 HydrophobicContact CZ-CD 4.15Å; F259-K263 WeakPolarHBondContact O-CG 3.47Å; F259-K263 PolarHBondContact O-N 3.39Å; F259-K263 VanDerWaalsContact O-N 3.07Å; F259-L280 HydrophobicContact CB-CD1 3.91Å; F259-L280 HydrophobicContact CD2-CD1 4.33Å; F259-L280 HydrophobicContact CD2-CD2 3.82Å |
| 260 | E | 90.5 | Very high | 91 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 173.6 | -73.1 | -170.3 | -168.9 | 0 | 0 | 111.9 | R238 T256 D257 F262 K263 N264 | R238-E260 HydrophobicContact CG-CB 4.41Å; R238-E260 IonicContact CZ-OE2 2.97Å; R238-E260 IonicContact NE-OE2 2.8Å; R238-E260 PolarHBondContact NE-OE2 3.03Å; R238-E260 IonicContact NH2-OE1 3.2Å; R238-E260 IonicContact NH2-OE2 2.74Å; R238-E260 PolarHBondContact NH2-OE2 3.11Å; T256-E260 PolarHBondContact O-N 3.28Å; D257-E260 PolarHBondContact O-N 2.79Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.09Å; E260-K263 PolarHBondContact O-N 3.05Å; E260-N264 PolarHBondContact O-N 3.18Å; E260-N264 VanDerWaalsContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 3.49Å |
| 261 | A | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R238 E239 D257 F258 F259 N264 Y265 | R238-A261 HydrophobicContact CB-CB 3.71Å; E239-A261 HydrophobicContact CB-CB 4.4Å; D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.4Å; D257-A261 PolarHBondContact O-N 3.07Å; F258-A261 PolarHBondContact O-N 3.38Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.31Å; A261-N264 PolarHBondContact O-N 3.39Å; A261-Y265 HydrophobicContact CB-CE2 4.38Å; A261-Y265 WeakPolarHBondContact O-CD2 3.2Å; A261-Y265 PolarHBondContact O-N 3.2Å |
| 262 | F | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -47 | 178 | 173.6 | -106.4 | 0 | 0 | 0 | 111.9 | F258 F259 E260 N264 Y265 D266 R273 L277 E298 A299 Y302 | F258-F262 VanDerWaalsContact O-CB 3.28Å; F258-F262 WeakPolarHBondContact O-CB 3.37Å; F258-F262 PolarHBondContact O-N 3.21Å; F259-F262 PolarHBondContact O-N 3.22Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.09Å; F262-N264 VanDerWaalsContact C-N 3.33Å; F262-N264 PolarHBondContact O-N 3.4Å; F262-Y265 PolarHBondContact O-N 3.49Å; F262-Y265 VanDerWaalsContact O-N 3.15Å; F262-D266 WeakPolarHBondContact O-CB 3.38Å; F262-D266 PolarHBondContact O-N 3.44Å; F262-R273 HydrophobicContact CD2-CB 4.41Å; F262-R273 HydrophobicContact CE2-CB 4.28Å; F262-L277 HydrophobicContact CD2-CB 4Å; F262-L277 HydrophobicContact CD2-CD1 4.28Å; F262-L277 HydrophobicContact CE2-CB 3.93Å; F262-L277 HydrophobicContact CE2-CD1 4.08Å; F262-L277 HydrophobicContact CE2-CD2 4.05Å; F262-L277 HydrophobicContact CE2-CG 4.25Å; F262-L277 HydrophobicContact CZ-CD1 4.21Å; F262-L277 HydrophobicContact CZ-CD2 4.3Å; F262-E298 HydrophobicContact CD1-CB 4.46Å; F262-E298 HydrophobicContact CE1-CB 3.78Å; F262-A299 HydrophobicContact CE1-CB 4.3Å; F262-Y302 HydrophobicContact CE2-CE2 4.46Å; F262-Y302 AromaticContact CZ-CD2 3.9Å; F262-Y302 HydrophobicContact CZ-CD2 3.9Å; F262-Y302 AromaticContact CZ-CE2 3.87Å; F262-Y302 HydrophobicContact CZ-CE2 3.87Å |
| 263 | K | 90.4 | Very high | 90.5 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 32% | 0.317 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 176.6 | -69 | -174 | 64.3 | 138.9 | 0 | 112 | F259 E260 Y265 D266 E267 E298 | F259-K263 HydrophobicContact CD1-CD 4.22Å; F259-K263 HydrophobicContact CE1-CD 3.73Å; F259-K263 HydrophobicContact CE1-CG 4.43Å; F259-K263 HydrophobicContact CZ-CD 4.15Å; F259-K263 WeakPolarHBondContact O-CG 3.47Å; F259-K263 PolarHBondContact O-N 3.39Å; F259-K263 VanDerWaalsContact O-N 3.07Å; E260-K263 PolarHBondContact O-N 3.05Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.42Å; K263-D266 PolarHBondContact O-N 2.99Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.44Å; K263-E298 WeakPolarHBondContact CE-OE1 3.47Å; K263-E298 HydrophobicContact CG-CG 4.4Å; K263-E298 IonicContact NZ-OE1 3.43Å; K263-E298 PolarHBondContact NZ-OE1 2.99Å |
| 264 | N | 91.2 | Very high | 90.4 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 176.7 | -79 | -61.2 | 0 | 0 | 0 | 112.7 | P231 E260 A261 F262 S268 | P231-N264 HydrophobicContact CB-CB 4.37Å; P231-N264 WeakPolarHBondContact O-CB 3.32Å; E260-N264 PolarHBondContact O-N 3.18Å; E260-N264 VanDerWaalsContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 3.49Å; A261-N264 PolarHBondContact O-N 3.39Å; F262-N264 VanDerWaalsContact C-N 3.33Å; F262-N264 PolarHBondContact O-N 3.4Å; N264-S268 WeakPolarHBondContact O-CB 3.19Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 VanDerWaalsContact O-N 3.14Å; N264-S268 PolarHBondContact O-OG 3.49Å |
| 265 | Y | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 176.3 | -75.5 | -47.8 | 0 | 0 | 0 | 113 | L232 G235 V236 E239 A261 F262 K263 S268 G269 S270 R272 C276 | L232-Y265 HydrophobicContact CD1-CD1 4.09Å; L232-Y265 HydrophobicContact CD1-CE1 3.93Å; G235-Y265 PolarHBondContact O-OH 2.98Å; V236-Y265 WeakPolarHBondContact CA-OH 3.3Å; V236-Y265 HydrophobicContact CG2-CE1 4.36Å; V236-Y265 WeakPolarHBondContact CG2-OH 3.49Å; V236-Y265 PolarHBondContact N-OH 3.43Å; E239-Y265 HydrophobicContact CB-CE2 4.28Å; E239-Y265 PolarHBondContact OE2-OH 3.34Å; A261-Y265 HydrophobicContact CB-CE2 4.38Å; A261-Y265 WeakPolarHBondContact O-CD2 3.2Å; A261-Y265 PolarHBondContact O-N 3.2Å; F262-Y265 PolarHBondContact O-N 3.49Å; F262-Y265 VanDerWaalsContact O-N 3.15Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.42Å; Y265-S268 WeakPolarHBondContact CA-OG 3.42Å; Y265-S268 PolarHBondContact O-N 3.25Å; Y265-S268 PolarHBondContact O-OG 3.04Å; Y265-G269 PolarHBondContact O-N 3.2Å; Y265-S270 PolarHBondContact O-N 2.88Å; Y265-S270 VanDerWaalsContact O-N 3.12Å; Y265-R272 HydrophobicContact CD1-CB 4.29Å; Y265-R272 HydrophobicContact CD2-CB 4.47Å; Y265-R272 HydrophobicContact CE1-CB 4.18Å; Y265-R272 HydrophobicContact CE2-CB 4.34Å; Y265-R272 HydrophobicContact CG-CB 4.45Å; Y265-C276 HydrophobicContact CD2-CB 3.86Å; Y265-C276 HydrophobicContact CE2-CB 4.2Å |
| 266 | D | 90 | Very high | 90.3 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -48.9 | 176 | -167.6 | 53.9 | 0 | 0 | 0 | 111.2 | F262 K263 S268 G269 Y302 | F262-D266 WeakPolarHBondContact O-CB 3.38Å; F262-D266 PolarHBondContact O-N 3.44Å; K263-D266 PolarHBondContact O-N 2.99Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.42Å; D266-G269 PolarHBondContact O-N 3.31Å; D266-Y302 PolarHBondContact OD1-OH 3.35Å |
| 267 | E | 88.9 | Confident | 90.3 | Very high | 136 Ų | 136 | 42.5 Ų | 42.5 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.4 | -35.2 | 174.6 | -72.8 | 177.6 | -169.9 | 0 | 0 | 112.6 | P231 K263 | P231-E267 HydrophobicContact CB-CB 4.47Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.44Å |
| 268 | S | 87.6 | Confident | 90.2 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.5 | 178.1 | 73.1 | 0 | 0 | 0 | 0 | 114.8 | N264 Y265 D266 S270 | N264-S268 WeakPolarHBondContact O-CB 3.19Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 VanDerWaalsContact O-N 3.14Å; N264-S268 PolarHBondContact O-OG 3.49Å; Y265-S268 WeakPolarHBondContact CA-OG 3.42Å; Y265-S268 PolarHBondContact O-N 3.25Å; Y265-S268 PolarHBondContact O-OG 3.04Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.42Å; S268-S270 PolarHBondContact O-N 2.9Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 3.4Å |
| 269 | G | 86.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 20.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y265 D266 | Y265-G269 PolarHBondContact O-N 3.2Å; D266-G269 PolarHBondContact O-N 3.31Å |
| 270 | S | 85.3 | Confident | 90.2 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | trans | -71.5 | 140.4 | -175.6 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | Y265 S268 R272 R273 | Y265-S270 PolarHBondContact O-N 2.88Å; Y265-S270 VanDerWaalsContact O-N 3.12Å; S268-S270 PolarHBondContact O-N 2.9Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 3.4Å; S270-R272 PolarHBondContact O-N 3.2Å; S270-R272 VanDerWaalsContact O-N 3.13Å; S270-R272 PolarHBondContact OG-N 3.41Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 WeakPolarHBondContact O-CG 3.44Å; S270-R273 PolarHBondContact O-N 3.14Å; S270-R273 VanDerWaalsContact O-N 3.14Å | ||
| 271 | P | 86.3 | Confident | 90.2 | Very high | 108 Ų | 108 | 37 Ų | 37 | 70% | 0.701 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19 | 174 | 27.6 | -35.3 | 0 | 0 | 0 | 112.5 | R273 T274 | P271-R273 PolarHBondContact O-N 3.34Å; P271-R273 VanDerWaalsContact O-N 3.14Å; P271-T274 PolarHBondContact O-N 3.35Å; P271-T274 PolarHBondContact O-OG1 3.07Å |
| 272 | R | 88.1 | Confident | 90 | Very high | 107 Ų | 107 | 37 Ų | 37 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.6 | -11 | 175.2 | -71.1 | -166.2 | 171.9 | -156.9 | 1.7 | 114.3 | E239 Y265 S270 T274 T275 C276 | E239-R272 IonicContact OE2-NH1 3.76Å; E239-R272 PolarHBondContact OE2-NH1 3.14Å; Y265-R272 HydrophobicContact CD1-CB 4.29Å; Y265-R272 HydrophobicContact CD2-CB 4.47Å; Y265-R272 HydrophobicContact CE1-CB 4.18Å; Y265-R272 HydrophobicContact CE2-CB 4.34Å; Y265-R272 HydrophobicContact CG-CB 4.45Å; S270-R272 PolarHBondContact O-N 3.2Å; S270-R272 VanDerWaalsContact O-N 3.13Å; S270-R272 PolarHBondContact OG-N 3.41Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.34Å; R272-T275 WeakPolarHBondContact CA-OG1 3.47Å; R272-T275 PolarHBondContact O-N 3.13Å; R272-T275 PolarHBondContact O-OG1 3.18Å; R272-C276 WeakPolarHBondContact O-CB 3.45Å; R272-C276 PolarHBondContact O-N 3.49Å |
| 273 | R | 90.5 | Very high | 90 | Very high | 76 Ų | 76 | 37 Ų | 37 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 176.9 | 73.1 | -172.5 | 175.2 | -153.3 | -5.4 | 112.4 | F262 S270 P271 C276 L277 Y302 | F262-R273 HydrophobicContact CD2-CB 4.41Å; F262-R273 HydrophobicContact CE2-CB 4.28Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 WeakPolarHBondContact O-CG 3.44Å; S270-R273 PolarHBondContact O-N 3.14Å; S270-R273 VanDerWaalsContact O-N 3.14Å; P271-R273 PolarHBondContact O-N 3.34Å; P271-R273 VanDerWaalsContact O-N 3.14Å; R273-C276 PolarHBondContact O-N 2.76Å; R273-L277 VanDerWaalsContact O-CB 3.28Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 PolarHBondContact O-N 3.46Å; R273-Y302 WeakPolarHBondContact CD-OH 3.45Å; R273-Y302 PolarHBondContact NE-OH 3.48Å; R273-Y302 PolarHBondContact NH1-OH 3.25Å |
| 274 | T | 89.1 | Confident | 89.9 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.7 | -43.5 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | P271 R272 L277 K278 I308 | P271-T274 PolarHBondContact O-N 3.35Å; P271-T274 PolarHBondContact O-OG1 3.07Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.34Å; T274-L277 PolarHBondContact O-N 3.42Å; T274-K278 WeakPolarHBondContact O-CG 3.45Å; T274-K278 PolarHBondContact O-N 3.41Å; T274-K278 VanDerWaalsContact O-N 3.11Å; T274-I308 WeakPolarHBondContact O-CD1 3.48Å |
| 275 | T | 90.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 174.2 | 26.1 | 0 | 0 | 0 | 0 | 111.8 | R272 L277 K278 Y279 | R272-T275 WeakPolarHBondContact CA-OG1 3.47Å; R272-T275 PolarHBondContact O-N 3.13Å; R272-T275 PolarHBondContact O-OG1 3.18Å; T275-L277 VanDerWaalsContact C-N 3.29Å; T275-L277 PolarHBondContact O-N 3.08Å; T275-K278 WeakPolarHBondContact O-CB 3.34Å; T275-K278 PolarHBondContact O-N 3.42Å; T275-K278 VanDerWaalsContact O-N 3.15Å; T275-Y279 PolarHBondContact O-N 3.17Å |
| 276 | C | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 175.5 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | Y265 R272 R273 K278 Y279 L280 | Y265-C276 HydrophobicContact CD2-CB 3.86Å; Y265-C276 HydrophobicContact CE2-CB 4.2Å; R272-C276 WeakPolarHBondContact O-CB 3.45Å; R272-C276 PolarHBondContact O-N 3.49Å; R273-C276 PolarHBondContact O-N 2.76Å; C276-K278 VanDerWaalsContact C-N 3.34Å; C276-K278 PolarHBondContact O-N 3.36Å; C276-Y279 PolarHBondContact O-N 3.08Å; C276-L280 PolarHBondContact O-N 3.14Å |
| 277 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 175.6 | -172.9 | 56.4 | 0 | 0 | 0 | 111.8 | F262 R273 T274 T275 Y279 L280 V281 F294 A299 Y302 I308 | F262-L277 HydrophobicContact CD2-CB 4Å; F262-L277 HydrophobicContact CD2-CD1 4.28Å; F262-L277 HydrophobicContact CE2-CB 3.93Å; F262-L277 HydrophobicContact CE2-CD1 4.08Å; F262-L277 HydrophobicContact CE2-CD2 4.05Å; F262-L277 HydrophobicContact CE2-CG 4.25Å; F262-L277 HydrophobicContact CZ-CD1 4.21Å; F262-L277 HydrophobicContact CZ-CD2 4.3Å; R273-L277 VanDerWaalsContact O-CB 3.28Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 PolarHBondContact O-N 3.46Å; T274-L277 PolarHBondContact O-N 3.42Å; T275-L277 VanDerWaalsContact C-N 3.29Å; T275-L277 PolarHBondContact O-N 3.08Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.35Å; L277-L280 HydrophobicContact CD1-CD2 4.04Å; L277-L280 PolarHBondContact O-N 2.75Å; L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.37Å; L277-F294 HydrophobicContact CD1-CE1 4.33Å; L277-F294 HydrophobicContact CD2-CE1 3.99Å; L277-F294 HydrophobicContact CG-CE1 4.21Å; L277-A299 HydrophobicContact CD1-CB 3.98Å; L277-Y302 HydrophobicContact CD2-CG 4.18Å; L277-I308 HydrophobicContact CB-CD1 4.33Å; L277-I308 HydrophobicContact CD2-CD1 4.11Å; L277-I308 HydrophobicContact CD2-CG1 4.22Å; L277-I308 HydrophobicContact CD2-CG2 3.94Å; L277-I308 HydrophobicContact CG-CD1 4.41Å |
| 278 | K | 91.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 171.5 | -64.1 | 176.9 | -178.2 | 176 | 0 | 111.2 | T274 T275 C276 V281 L282 E307 I308 M311 N336 I343 | T274-K278 WeakPolarHBondContact O-CG 3.45Å; T274-K278 PolarHBondContact O-N 3.41Å; T274-K278 VanDerWaalsContact O-N 3.11Å; T275-K278 WeakPolarHBondContact O-CB 3.34Å; T275-K278 PolarHBondContact O-N 3.42Å; T275-K278 VanDerWaalsContact O-N 3.15Å; C276-K278 VanDerWaalsContact C-N 3.34Å; C276-K278 PolarHBondContact O-N 3.36Å; K278-V281 PolarHBondContact O-N 3.39Å; K278-L282 WeakPolarHBondContact O-CB 3.39Å; K278-L282 PolarHBondContact O-N 2.79Å; K278-E307 IonicContact NZ-OE1 2.64Å; K278-E307 PolarHBondContact NZ-OE1 3.12Å; K278-I308 HydrophobicContact CG-CD1 4.23Å; K278-M311 HydrophobicContact CB-CE 4.42Å; K278-M311 HydrophobicContact CB-CG 4.27Å; K278-M311 HydrophobicContact CB-SD 4.42Å; K278-M311 HydrophobicContact CG-CG 3.81Å; K278-M311 HydrophobicContact CG-SD 4.36Å; K278-M311 WeakPolarHBondContact O-CE 3.31Å; K278-N336 PolarHBondContact NZ-O 2.93Å; K278-N336 VanDerWaalsContact NZ-O 3.08Å; K278-I343 HydrophobicContact CB-CD1 3.9Å; K278-I343 HydrophobicContact CD-CD1 4.28Å |
| 279 | Y | 92.8 | Very high | 88.2 | Confident | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 177.8 | -56.3 | -32.7 | 0 | 0 | 0 | 113.2 | K243 F258 T275 C276 L277 V281 L282 A283 D340 F342 I343 | K243-Y279 PolarHBondContact NZ-OH 2.86Å; F258-Y279 HydrophobicContact CD1-CD2 4.45Å; F258-Y279 AromaticContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CG 4.1Å; F258-Y279 HydrophobicContact CZ-CD2 4.45Å; F258-Y279 HydrophobicContact CZ-CG 4.27Å; T275-Y279 PolarHBondContact O-N 3.17Å; C276-Y279 PolarHBondContact O-N 3.08Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.35Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.3Å; Y279-L282 PolarHBondContact O-N 3.35Å; Y279-A283 WeakPolarHBondContact O-CB 3.44Å; Y279-A283 PolarHBondContact O-N 3.11Å; Y279-D340 VanDerWaalsContact CE1-OD2 3.24Å; Y279-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y279-D340 PolarHBondContact OH-OD2 3.08Å; Y279-F342 AromaticContact CD1-CD1 3.63Å; Y279-F342 HydrophobicContact CD1-CD1 3.63Å; Y279-F342 AromaticContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CE1-CB 4.46Å; Y279-F342 AromaticContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CE1 4.3Å; Y279-F342 HydrophobicContact CE1-CG 4.42Å; Y279-F342 HydrophobicContact CG-CD1 4.36Å; Y279-F342 HydrophobicContact CG-CE1 4.3Å; Y279-I343 HydrophobicContact CD1-CD1 4.33Å; Y279-I343 HydrophobicContact CD1-CG1 4.01Å; Y279-I343 HydrophobicContact CE1-CD1 4.16Å; Y279-I343 HydrophobicContact CE1-CG1 3.85Å |
| 280 | L | 91.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.4 | 174.5 | 61.9 | 0 | 0 | 0 | 111.2 | F258 F259 C276 L277 A283 N284 | F258-L280 HydrophobicContact CB-CB 4.07Å; F258-L280 HydrophobicContact CB-CD1 4.16Å; F259-L280 HydrophobicContact CB-CD1 3.91Å; F259-L280 HydrophobicContact CD2-CD1 4.33Å; F259-L280 HydrophobicContact CD2-CD2 3.82Å; C276-L280 PolarHBondContact O-N 3.14Å; L277-L280 HydrophobicContact CD1-CD2 4.04Å; L277-L280 PolarHBondContact O-N 2.75Å; L280-A283 PolarHBondContact O-N 2.9Å; L280-N284 WeakPolarHBondContact O-CB 3.14Å; L280-N284 PolarHBondContact O-N 3.29Å |
| 281 | V | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 179 | 174.5 | 0 | 0 | 0 | 0 | 111 | L277 K278 Y279 N284 M285 P293 F294 M311 V315 | L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.37Å; K278-V281 PolarHBondContact O-N 3.39Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.3Å; V281-N284 WeakPolarHBondContact O-CB 3.39Å; V281-N284 PolarHBondContact O-N 3.02Å; V281-M285 HydrophobicContact CG1-CE 3.96Å; V281-M285 HydrophobicContact CG1-SD 4.45Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3.07Å; V281-P293 HydrophobicContact CB-CG 4.38Å; V281-P293 HydrophobicContact CG1-CG 4.39Å; V281-P293 HydrophobicContact CG2-CB 4.36Å; V281-P293 HydrophobicContact CG2-CG 3.8Å; V281-F294 HydrophobicContact CG2-CE1 4.41Å; V281-F294 HydrophobicContact CG2-CE2 3.73Å; V281-F294 HydrophobicContact CG2-CZ 3.57Å; V281-M311 HydrophobicContact CB-CE 3.8Å; V281-M311 HydrophobicContact CG1-CB 4.18Å; V281-M311 HydrophobicContact CG1-CE 3.65Å; V281-V315 HydrophobicContact CB-CG2 4.5Å; V281-V315 HydrophobicContact CG1-CG2 3.13Å |
| 282 | L | 90.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 174.7 | 178.7 | 65.7 | 0 | 0 | 0 | 111.9 | L246 K278 Y279 N284 M285 L286 F342 I343 H346 L350 | L246-L282 HydrophobicContact CD2-CD2 4.06Å; K278-L282 WeakPolarHBondContact O-CB 3.39Å; K278-L282 PolarHBondContact O-N 2.79Å; Y279-L282 PolarHBondContact O-N 3.35Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.64Å; L282-M285 PolarHBondContact O-N 3.27Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.19Å; L282-F342 HydrophobicContact CD2-CE1 4.46Å; L282-I343 HydrophobicContact CD2-CB 4.44Å; L282-I343 HydrophobicContact CD2-CG1 4.3Å; L282-I343 HydrophobicContact CD2-CG2 4.34Å; L282-H346 HydrophobicContact CD1-CB 4.3Å; L282-H346 HydrophobicContact CD2-CB 4.16Å; L282-L350 HydrophobicContact CD1-CD2 4.36Å |
| 283 | A | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L246 A254 H255 F258 Y279 L280 L286 M287 | L246-A283 HydrophobicContact CD1-CB 3.98Å; A254-A283 HydrophobicContact CB-CB 4.48Å; H255-A283 HydrophobicContact CB-CB 4.32Å; F258-A283 HydrophobicContact CD2-CB 3.93Å; F258-A283 HydrophobicContact CE2-CB 4.36Å; Y279-A283 WeakPolarHBondContact O-CB 3.44Å; Y279-A283 PolarHBondContact O-N 3.11Å; L280-A283 PolarHBondContact O-N 2.9Å; A283-L286 PolarHBondContact O-N 3.08Å; A283-M287 WeakPolarHBondContact O-CB 3.39Å; A283-M287 PolarHBondContact O-N 3.5Å |
| 284 | N | 89.4 | Confident | 85.1 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.3 | -173.2 | -79.9 | 0 | 0 | 0 | 112.2 | H255 L280 V281 L282 M287 S289 I291 P293 | H255-N284 PolarHBondContact NE2-ND2 3.15Å; L280-N284 WeakPolarHBondContact O-CB 3.14Å; L280-N284 PolarHBondContact O-N 3.29Å; V281-N284 WeakPolarHBondContact O-CB 3.39Å; V281-N284 PolarHBondContact O-N 3.02Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.64Å; N284-M287 PolarHBondContact O-N 3.02Å; N284-S289 VanDerWaalsContact CG-OG 3.26Å; N284-S289 PolarHBondContact ND2-OG 3.09Å; N284-S289 PolarHBondContact O-OG 3.14Å; N284-S289 PolarHBondContact OD1-OG 3.04Å; N284-S289 VanDerWaalsContact OD1-OG 3.07Å; N284-I291 PolarHBondContact ND2-O 3.2Å; N284-I291 PolarHBondContact OD1-O 3.19Å; N284-I291 VanDerWaalsContact OD1-O 3.05Å; N284-P293 HydrophobicContact CB-CG 4.36Å |
| 285 | M | 86.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 177.5 | -62.3 | -176.6 | -68.9 | 0 | 0 | 111.4 | V281 L282 M287 K288 M311 L314 V315 Y318 L350 | V281-M285 HydrophobicContact CG1-CE 3.96Å; V281-M285 HydrophobicContact CG1-SD 4.45Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3.07Å; L282-M285 PolarHBondContact O-N 3.27Å; M285-M287 PolarHBondContact O-N 3.46Å; M285-K288 PolarHBondContact O-N 3.36Å; M285-K288 VanDerWaalsContact O-N 3.07Å; M285-M311 HydrophobicContact CE-CE 4.2Å; M285-L314 HydrophobicContact SD-CB 4.48Å; M285-V315 HydrophobicContact CG-CG2 4.16Å; M285-V315 HydrophobicContact SD-CG2 3.93Å; M285-Y318 HydrophobicContact CB-CD1 4.29Å; M285-Y318 HydrophobicContact CB-CD2 4.32Å; M285-Y318 HydrophobicContact CB-CE1 4.35Å; M285-Y318 HydrophobicContact CB-CE2 4.43Å; M285-Y318 HydrophobicContact CB-CG 4.29Å; M285-Y318 HydrophobicContact CG-CD1 4.28Å; M285-Y318 HydrophobicContact CG-CG 4.2Å; M285-Y318 VanDerWaalsContact O-CZ 3.29Å; M285-Y318 PolarHBondContact O-OH 2.86Å; M285-Y318 HydrophobicContact SD-CG 4.31Å; M285-L350 HydrophobicContact CB-CD1 3.63Å; M285-L350 HydrophobicContact CB-CD2 3.88Å; M285-L350 HydrophobicContact CB-CG 4.39Å; M285-L350 HydrophobicContact CE-CD2 3.53Å; M285-L350 HydrophobicContact SD-CD2 3.86Å |
| 286 | L | 88 | Confident | 84.3 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -32.5 | 176.3 | -71.7 | 166.3 | 0 | 0 | 0 | 113.5 | L246 F251 L282 A283 K288 H346 E349 L350 | L246-L286 HydrophobicContact CD1-CD1 3.88Å; L246-L286 HydrophobicContact CD2-CD1 4.12Å; L246-L286 HydrophobicContact CG-CD1 4.16Å; F251-L286 HydrophobicContact CD1-CB 3.65Å; F251-L286 HydrophobicContact CD1-CD1 4.13Å; F251-L286 HydrophobicContact CD1-CG 4.44Å; F251-L286 HydrophobicContact CE1-CB 3.91Å; F251-L286 HydrophobicContact CE1-CD1 3.96Å; F251-L286 HydrophobicContact CE1-CD2 4.41Å; F251-L286 HydrophobicContact CE1-CG 4.32Å; F251-L286 HydrophobicContact CG-CB 4.02Å; F251-L286 HydrophobicContact CZ-CB 4.47Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.19Å; A283-L286 PolarHBondContact O-N 3.08Å; L286-K288 PolarHBondContact O-N 3.03Å; L286-K288 VanDerWaalsContact O-N 3.09Å; L286-H346 HydrophobicContact CD1-CB 4.1Å; L286-E349 HydrophobicContact CD2-CB 4.45Å; L286-E349 HydrophobicContact CD2-CG 4.21Å; L286-L350 HydrophobicContact CD2-CB 4.45Å; L286-L350 HydrophobicContact CD2-CD1 4.05Å; L286-L350 HydrophobicContact CG-CD1 4.29Å |
| 287 | M | 85.7 | Confident | 83.8 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.8 | 171.8 | -172.5 | 171 | 70.2 | 0 | 0 | 112.7 | F251 E252 H255 A283 N284 M285 S289 | F251-M287 HydrophobicContact CB-CB 4.26Å; E252-M287 HydrophobicContact CB-SD 4.18Å; E252-M287 HydrophobicContact CG-SD 4.17Å; H255-M287 HydrophobicContact CB-SD 4.32Å; A283-M287 WeakPolarHBondContact O-CB 3.39Å; A283-M287 PolarHBondContact O-N 3.5Å; N284-M287 PolarHBondContact O-N 3.02Å; M285-M287 PolarHBondContact O-N 3.46Å; M287-S289 VanDerWaalsContact CE-OG 3.28Å; M287-S289 WeakPolarHBondContact CE-OG 3.42Å; M287-S289 PolarHBondContact O-N 2.99Å |
| 288 | K | 81.2 | Confident | 83.3 | Confident | 131 Ų | 131 | 40 Ų | 40 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 25.5 | -175.9 | -54.3 | 179.7 | -179.7 | -178.1 | 0 | 112.6 | M285 L286 N353 | M285-K288 PolarHBondContact O-N 3.36Å; M285-K288 VanDerWaalsContact O-N 3.07Å; L286-K288 PolarHBondContact O-N 3.03Å; L286-K288 VanDerWaalsContact O-N 3.09Å; K288-N353 WeakPolarHBondContact CE-OD1 3.46Å; K288-N353 PolarHBondContact NZ-OD1 3.2Å; K288-N353 VanDerWaalsContact NZ-OD1 3.15Å |
| 289 | S | 71.2 | Confident | 82.9 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | trans | -79 | 137.2 | 176 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | N284 M287 I291 | N284-S289 VanDerWaalsContact CG-OG 3.26Å; N284-S289 PolarHBondContact ND2-OG 3.09Å; N284-S289 PolarHBondContact O-OG 3.14Å; N284-S289 PolarHBondContact OD1-OG 3.04Å; N284-S289 VanDerWaalsContact OD1-OG 3.07Å; M287-S289 VanDerWaalsContact CE-OG 3.28Å; M287-S289 WeakPolarHBondContact CE-OG 3.42Å; M287-S289 PolarHBondContact O-N 2.99Å; S289-I291 PolarHBondContact O-N 3.3Å | ||
| 290 | G | 64.9 | Low | 82.6 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 68% | 0.68 | 24% | 0.241 | S | C | * | . | trans | -81.1 | 3.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q319 | G290-Q319 PolarHBondContact O-NE2 3.43Š| ||
| 291 | I | 74.8 | Confident | 82.4 | Confident | 122 Ų | 122 | 50 Ų | 50 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -84.4 | 127.6 | -176.3 | -56.7 | 173.2 | 0 | 0 | 0 | 108.6 | N284 S289 P293 | N284-I291 PolarHBondContact ND2-O 3.2Å; N284-I291 PolarHBondContact OD1-O 3.19Å; N284-I291 VanDerWaalsContact OD1-O 3.05Å; S289-I291 PolarHBondContact O-N 3.3Å; I291-P293 WeakPolarHBondContact O-CD 3.45Å |
| 292 | N | 74.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | trans | -76.1 | 120.8 | 178.8 | -165.4 | -24.2 | 0 | 0 | 0 | 110.2 | F294 D295 | N292-F294 PolarHBondContact O-N 3.48Å; N292-F294 VanDerWaalsContact O-N 3.14Å; N292-F294 WeakPolarHBondContact OD1-CB 3.37Å; N292-F294 VanDerWaalsContact OD1-CD2 3.28Å; N292-F294 WeakPolarHBondContact OD1-CD2 3.05Å; N292-F294 PolarHBondContact OD1-N 3.49Å; N292-D295 WeakPolarHBondContact CB-OD2 3.45Å; N292-D295 WeakPolarHBondContact O-CB 3.48Å; N292-D295 PolarHBondContact O-N 3.34Å; N292-D295 VanDerWaalsContact O-N 3.08Å | ||
| 293 | P | 77.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 7% | 0.065 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.3 | -25.5 | 177.1 | 22.8 | -33.3 | 0 | 0 | 0 | 112.9 | V281 N284 I291 D295 S296 V315 | V281-P293 HydrophobicContact CB-CG 4.38Å; V281-P293 HydrophobicContact CG1-CG 4.39Å; V281-P293 HydrophobicContact CG2-CB 4.36Å; V281-P293 HydrophobicContact CG2-CG 3.8Å; N284-P293 HydrophobicContact CB-CG 4.36Å; I291-P293 WeakPolarHBondContact O-CD 3.45Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 2.96Å; P293-S296 PolarHBondContact O-N 3.48Å; P293-S296 PolarHBondContact O-OG 3.43Å; P293-V315 HydrophobicContact CG-CG2 4.41Å |
| 294 | F | 81.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -79.4 | -3.9 | 178.8 | -61.5 | -72.7 | 0 | 0 | 0 | 114.9 | L277 V281 N292 S296 A299 K300 I308 M311 T312 V315 | L277-F294 HydrophobicContact CD1-CE1 4.33Å; L277-F294 HydrophobicContact CD2-CE1 3.99Å; L277-F294 HydrophobicContact CG-CE1 4.21Å; V281-F294 HydrophobicContact CG2-CE1 4.41Å; V281-F294 HydrophobicContact CG2-CE2 3.73Å; V281-F294 HydrophobicContact CG2-CZ 3.57Å; N292-F294 PolarHBondContact O-N 3.48Å; N292-F294 VanDerWaalsContact O-N 3.14Å; N292-F294 WeakPolarHBondContact OD1-CB 3.37Å; N292-F294 VanDerWaalsContact OD1-CD2 3.28Å; N292-F294 WeakPolarHBondContact OD1-CD2 3.05Å; N292-F294 PolarHBondContact OD1-N 3.49Å; F294-S296 VanDerWaalsContact C-N 3.27Å; F294-A299 HydrophobicContact CD1-CB 4.08Å; F294-K300 WeakPolarHBondContact O-CA 3.44Å; F294-I308 HydrophobicContact CE1-CG2 3.41Å; F294-I308 VanDerWaalsContact CE1-CG2 3.41Å; F294-I308 HydrophobicContact CZ-CG2 3.55Å; F294-M311 HydrophobicContact CZ-CB 4.39Å; F294-T312 HydrophobicContact CD2-CG2 4.47Å; F294-V315 HydrophobicContact CE2-CG2 4.38Å |
| 295 | D | 80.6 | Confident | 81.2 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -79.4 | -13.8 | 172.3 | -68.7 | -21.5 | 0 | 0 | 0 | 112.2 | N292 P293 | N292-D295 WeakPolarHBondContact CB-OD2 3.45Å; N292-D295 WeakPolarHBondContact O-CB 3.48Å; N292-D295 PolarHBondContact O-N 3.34Å; N292-D295 VanDerWaalsContact O-N 3.08Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 2.96Å |
| 296 | S | 82.4 | Confident | 80.9 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -63.6 | 146.5 | 171.6 | 63 | 0 | 0 | 0 | 0 | 111.3 | P293 F294 E298 A299 K300 | P293-S296 PolarHBondContact O-N 3.48Å; P293-S296 PolarHBondContact O-OG 3.43Å; F294-S296 VanDerWaalsContact C-N 3.27Å; S296-E298 PolarHBondContact O-N 3.46Å; S296-A299 PolarHBondContact O-N 3.18Å; S296-A299 VanDerWaalsContact OG-CB 3.24Å; S296-A299 WeakPolarHBondContact OG-CB 3.29Å; S296-A299 PolarHBondContact OG-N 2.92Å; S296-K300 VanDerWaalsContact O-CB 3.29Å; S296-K300 WeakPolarHBondContact O-CB 3.38Å; S296-K300 PolarHBondContact O-N 2.96Å; S296-K300 VanDerWaalsContact O-N 3.07Å |
| 297 | Q | 82.7 | Confident | 80.6 | Confident | 174 Ų | 174 | 72.1 Ų | 72.1 | 81% | 0.813 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -32.9 | -177.8 | -68.6 | -174.8 | -6.6 | 0 | 0 | 111.5 | P301 | Q297-P301 WeakPolarHBondContact O-CD 3.33Š|
| 298 | E | 80.7 | Confident | 80.7 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -38 | -176.8 | -57 | 91.7 | 151.6 | 0 | 0 | 112.5 | F262 K263 S296 Y302 | F262-E298 HydrophobicContact CD1-CB 4.46Å; F262-E298 HydrophobicContact CE1-CB 3.78Å; K263-E298 WeakPolarHBondContact CE-OE1 3.47Å; K263-E298 HydrophobicContact CG-CG 4.4Å; K263-E298 IonicContact NZ-OE1 3.43Å; K263-E298 PolarHBondContact NZ-OE1 2.99Å; S296-E298 PolarHBondContact O-N 3.46Å; E298-Y302 VanDerWaalsContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CE2 3.46Å |
| 299 | A | 83.3 | Confident | 81 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -19 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F262 L277 F294 S296 P301 Y302 | F262-A299 HydrophobicContact CE1-CB 4.3Å; L277-A299 HydrophobicContact CD1-CB 3.98Å; F294-A299 HydrophobicContact CD1-CB 4.08Å; S296-A299 PolarHBondContact O-N 3.18Å; S296-A299 VanDerWaalsContact OG-CB 3.24Å; S296-A299 WeakPolarHBondContact OG-CB 3.29Å; S296-A299 PolarHBondContact OG-N 2.92Å; A299-P301 VanDerWaalsContact C-CD 3.43Å; A299-Y302 WeakPolarHBondContact O-CB 3.48Å; A299-Y302 PolarHBondContact O-N 2.96Å; A299-Y302 VanDerWaalsContact O-N 3.08Å |
| 300 | K | 85.5 | Confident | 81.8 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -55.5 | -40.8 | -177.7 | -171.7 | 173.8 | -175.1 | 175.8 | 0 | 114.8 | F294 S296 Y302 K303 | F294-K300 WeakPolarHBondContact O-CA 3.44Å; S296-K300 VanDerWaalsContact O-CB 3.29Å; S296-K300 WeakPolarHBondContact O-CB 3.38Å; S296-K300 PolarHBondContact O-N 2.96Å; S296-K300 VanDerWaalsContact O-N 3.07Å; K300-Y302 PolarHBondContact O-N 3.01Å; K300-K303 WeakPolarHBondContact O-CB 3.45Å; K300-K303 PolarHBondContact O-N 3Å |
| 301 | P | 87.6 | Confident | 82.9 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63.5 | -30.7 | 177.4 | -21.4 | 34 | 0 | 0 | 0 | 113.1 | Q297 A299 K303 | Q297-P301 WeakPolarHBondContact O-CD 3.33Å; A299-P301 VanDerWaalsContact C-CD 3.43Å; P301-K303 VanDerWaalsContact C-N 3.29Å; P301-K303 PolarHBondContact O-N 3.35Å |
| 302 | Y | 84.9 | Confident | 83.6 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -80.7 | -7.9 | -174.7 | -63.6 | -77.7 | 0 | 0 | 0 | 113.8 | F262 D266 R273 L277 E298 A299 K300 N304 D305 | F262-Y302 HydrophobicContact CE2-CE2 4.46Å; F262-Y302 AromaticContact CZ-CD2 3.9Å; F262-Y302 HydrophobicContact CZ-CD2 3.9Å; F262-Y302 AromaticContact CZ-CE2 3.87Å; F262-Y302 HydrophobicContact CZ-CE2 3.87Å; D266-Y302 PolarHBondContact OD1-OH 3.35Å; R273-Y302 WeakPolarHBondContact CD-OH 3.45Å; R273-Y302 PolarHBondContact NE-OH 3.48Å; R273-Y302 PolarHBondContact NH1-OH 3.25Å; L277-Y302 HydrophobicContact CD2-CG 4.18Å; E298-Y302 VanDerWaalsContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CE2 3.46Å; A299-Y302 WeakPolarHBondContact O-CB 3.48Å; A299-Y302 PolarHBondContact O-N 2.96Å; A299-Y302 VanDerWaalsContact O-N 3.08Å; K300-Y302 PolarHBondContact O-N 3.01Å; Y302-N304 PolarHBondContact O-N 3.24Å; Y302-N304 VanDerWaalsContact O-N 3.17Å; Y302-D305 WeakPolarHBondContact O-CB 3.26Å; Y302-D305 PolarHBondContact O-N 2.97Å; Y302-D305 VanDerWaalsContact O-N 3.12Å |
| 303 | K | 82.1 | Confident | 84.3 | Confident | 85 Ų | 85 | 59 Ų | 59 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.7 | -32 | -176.3 | -171.5 | 179 | 178.5 | 177.3 | 0 | 113.7 | K300 P301 T312 | K300-K303 WeakPolarHBondContact O-CB 3.45Å; K300-K303 PolarHBondContact O-N 3Å; P301-K303 VanDerWaalsContact C-N 3.29Å; P301-K303 PolarHBondContact O-N 3.35Å; K303-T312 HydrophobicContact CD-CG2 4.23Å; K303-T312 HydrophobicContact CG-CG2 3.67Å |
| 304 | N | 83.6 | Confident | 84.8 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -94.2 | -1.7 | -176.7 | -61.8 | -29.9 | 0 | 0 | 0 | 113.3 | Y302 | Y302-N304 PolarHBondContact O-N 3.24Å; Y302-N304 VanDerWaalsContact O-N 3.17Å |
| 305 | D | 85.8 | Confident | 85.2 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -68.4 | 126.8 | 178.1 | -167.8 | -34.9 | 0 | 0 | 0 | 109.2 | Y302 E307 I308 L309 | Y302-D305 WeakPolarHBondContact O-CB 3.26Å; Y302-D305 PolarHBondContact O-N 2.97Å; Y302-D305 VanDerWaalsContact O-N 3.12Å; D305-E307 PolarHBondContact O-N 2.88Å; D305-E307 VanDerWaalsContact O-N 3.11Å; D305-E307 PolarHBondContact OD1-N 2.8Å; D305-I308 HydrophobicContact CB-CB 4.21Å; D305-I308 HydrophobicContact CB-CG1 4.22Å; D305-I308 CarbonylContact O-C 3.58Å; D305-I308 PolarHBondContact O-N 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.26Å; D305-L309 PolarHBondContact O-N 2.74Å | ||
| 306 | P | 82.3 | Confident | 85.5 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.5 | -30 | -177.5 | 21.7 | -35.2 | 0 | 0 | 0 | 113.7 | ||
| 307 | E | 81 | Confident | 85.8 | Confident | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.3 | -30.3 | 178.6 | -159.5 | -175.1 | 165.3 | 0 | 0 | 112.6 | K278 D305 | K278-E307 IonicContact NZ-OE1 2.64Å; K278-E307 PolarHBondContact NZ-OE1 3.12Å; D305-E307 PolarHBondContact O-N 2.88Å; D305-E307 VanDerWaalsContact O-N 3.11Å; D305-E307 PolarHBondContact OD1-N 2.8Å |
| 308 | I | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -96.3 | -22.4 | -177.4 | -58.8 | -60 | 0 | 0 | 0 | 112 | T274 L277 K278 F294 D305 A310 M311 T312 | T274-I308 WeakPolarHBondContact O-CD1 3.48Å; L277-I308 HydrophobicContact CB-CD1 4.33Å; L277-I308 HydrophobicContact CD2-CD1 4.11Å; L277-I308 HydrophobicContact CD2-CG1 4.22Å; L277-I308 HydrophobicContact CD2-CG2 3.94Å; L277-I308 HydrophobicContact CG-CD1 4.41Å; K278-I308 HydrophobicContact CG-CD1 4.23Å; F294-I308 HydrophobicContact CE1-CG2 3.41Å; F294-I308 VanDerWaalsContact CE1-CG2 3.41Å; F294-I308 HydrophobicContact CZ-CG2 3.55Å; D305-I308 HydrophobicContact CB-CB 4.21Å; D305-I308 HydrophobicContact CB-CG1 4.22Å; D305-I308 CarbonylContact O-C 3.58Å; D305-I308 PolarHBondContact O-N 3.3Å; I308-A310 PolarHBondContact O-N 2.96Å; I308-A310 VanDerWaalsContact O-N 3.13Å; I308-M311 WeakPolarHBondContact O-CA 3.37Å; I308-M311 WeakPolarHBondContact O-CB 3.2Å; I308-M311 PolarHBondContact O-N 3.33Å; I308-T312 PolarHBondContact O-N 3.45Å; I308-T312 PolarHBondContact O-OG1 3.35Å |
| 309 | L | 88.5 | Confident | 86.3 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.8 | -35.7 | 179.6 | -173.5 | 65.3 | 0 | 0 | 0 | 111.9 | D305 M311 T312 N313 | D305-L309 WeakPolarHBondContact O-CB 3.26Å; D305-L309 PolarHBondContact O-N 2.74Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 3.47Å; L309-T312 WeakPolarHBondContact O-CB 3.39Å; L309-T312 PolarHBondContact O-N 2.98Å; L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 3.22Å; L309-N313 PolarHBondContact O-ND2 2.8Å |
| 310 | A | 88.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | I308 N313 L314 N333 I337 | I308-A310 PolarHBondContact O-N 2.96Å; I308-A310 VanDerWaalsContact O-N 3.13Å; A310-N313 PolarHBondContact O-N 3.01Å; A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 3.05Å; A310-N333 HydrophobicContact CB-CB 3.78Å; A310-I337 HydrophobicContact CB-CD1 4.08Å; A310-I337 HydrophobicContact CB-CG1 4.46Å |
| 311 | M | 88.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.9 | -39 | 176.3 | -62.3 | -56.9 | -66.5 | 0 | 0 | 112.2 | K278 V281 M285 F294 I308 L309 N313 L314 V315 I337 | K278-M311 HydrophobicContact CB-CE 4.42Å; K278-M311 HydrophobicContact CB-CG 4.27Å; K278-M311 HydrophobicContact CB-SD 4.42Å; K278-M311 HydrophobicContact CG-CG 3.81Å; K278-M311 HydrophobicContact CG-SD 4.36Å; K278-M311 WeakPolarHBondContact O-CE 3.31Å; V281-M311 HydrophobicContact CB-CE 3.8Å; V281-M311 HydrophobicContact CG1-CB 4.18Å; V281-M311 HydrophobicContact CG1-CE 3.65Å; M285-M311 HydrophobicContact CE-CE 4.2Å; F294-M311 HydrophobicContact CZ-CB 4.39Å; I308-M311 WeakPolarHBondContact O-CA 3.37Å; I308-M311 WeakPolarHBondContact O-CB 3.2Å; I308-M311 PolarHBondContact O-N 3.33Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 3.47Å; M311-N313 VanDerWaalsContact C-N 3.31Å; M311-N313 PolarHBondContact O-N 2.91Å; M311-L314 PolarHBondContact O-N 3.11Å; M311-L314 HydrophobicContact SD-CD1 4.03Å; M311-V315 WeakPolarHBondContact O-CG2 3.05Å; M311-V315 PolarHBondContact O-N 3.42Å; M311-I337 HydrophobicContact SD-CG1 4.44Å |
| 312 | T | 88.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F294 K303 I308 L309 V315 S316 | F294-T312 HydrophobicContact CD2-CG2 4.47Å; K303-T312 HydrophobicContact CD-CG2 4.23Å; K303-T312 HydrophobicContact CG-CG2 3.67Å; I308-T312 PolarHBondContact O-N 3.45Å; I308-T312 PolarHBondContact O-OG1 3.35Å; L309-T312 WeakPolarHBondContact O-CB 3.39Å; L309-T312 PolarHBondContact O-N 2.98Å; T312-V315 PolarHBondContact O-N 3.48Å; T312-S316 PolarHBondContact O-N 2.57Å; T312-S316 VanDerWaalsContact O-N 3.09Å |
| 313 | N | 88.6 | Confident | 86.5 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.9 | -66.4 | -19.1 | 0 | 0 | 0 | 111 | L309 A310 M311 V315 S316 A317 I329 | L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 3.22Å; L309-N313 PolarHBondContact O-ND2 2.8Å; A310-N313 PolarHBondContact O-N 3.01Å; M311-N313 VanDerWaalsContact C-N 3.31Å; M311-N313 PolarHBondContact O-N 2.91Å; N313-V315 PolarHBondContact O-N 3.47Å; N313-S316 PolarHBondContact O-N 2.84Å; N313-S316 PolarHBondContact O-OG 3.17Å; N313-A317 PolarHBondContact O-N 3.33Å; N313-I329 HydrophobicContact CB-CD1 3.72Å; N313-I329 HydrophobicContact CB-CG1 4.2Å; N313-I329 HydrophobicContact CB-CG2 4.31Å |
| 314 | L | 88.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 175.5 | -76.9 | 178.4 | 0 | 0 | 0 | 112.5 | M285 A310 M311 S316 A317 Y318 F326 I329 L330 I337 | M285-L314 HydrophobicContact SD-CB 4.48Å; A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 3.05Å; M311-L314 PolarHBondContact O-N 3.11Å; M311-L314 HydrophobicContact SD-CD1 4.03Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.24Å; L314-A317 PolarHBondContact O-N 2.8Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.1Å; L314-F326 HydrophobicContact CB-CE2 4.18Å; L314-F326 HydrophobicContact CD2-CD1 4.32Å; L314-F326 HydrophobicContact CD2-CD2 3.76Å; L314-F326 HydrophobicContact CD2-CE1 4.22Å; L314-F326 HydrophobicContact CD2-CE2 3.63Å; L314-F326 HydrophobicContact CD2-CG 4.1Å; L314-F326 HydrophobicContact CD2-CZ 3.86Å; L314-F326 HydrophobicContact CG-CE2 4.42Å; L314-I329 HydrophobicContact CD2-CB 3.93Å; L314-I329 HydrophobicContact CD2-CG2 3.64Å; L314-I329 HydrophobicContact CG-CG2 3.74Å; L314-L330 HydrophobicContact CD1-CD2 4.24Å; L314-L330 HydrophobicContact CD2-CD2 4.09Å; L314-L330 HydrophobicContact CD2-CG 4.15Å; L314-I337 HydrophobicContact CD1-CD1 3.66Å; L314-I337 HydrophobicContact CD1-CG1 4.48Å; L314-I337 HydrophobicContact CG-CD1 4.41Å |
| 315 | V | 89.1 | Confident | 87 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V281 M285 P293 F294 M311 T312 N313 A317 Y318 Q319 | V281-V315 HydrophobicContact CB-CG2 4.5Å; V281-V315 HydrophobicContact CG1-CG2 3.13Å; M285-V315 HydrophobicContact CG-CG2 4.16Å; M285-V315 HydrophobicContact SD-CG2 3.93Å; P293-V315 HydrophobicContact CG-CG2 4.41Å; F294-V315 HydrophobicContact CE2-CG2 4.38Å; M311-V315 WeakPolarHBondContact O-CG2 3.05Å; M311-V315 PolarHBondContact O-N 3.42Å; T312-V315 PolarHBondContact O-N 3.48Å; N313-V315 PolarHBondContact O-N 3.47Å; V315-A317 PolarHBondContact O-N 3.14Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.49Å; V315-Q319 HydrophobicContact CG1-CG 4.34Å; V315-Q319 WeakPolarHBondContact O-CG 3.19Å; V315-Q319 PolarHBondContact O-N 3.14Å |
| 316 | S | 87.9 | Confident | 87.2 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 179.2 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | T312 N313 L314 Q319 N320 | T312-S316 PolarHBondContact O-N 2.57Å; T312-S316 VanDerWaalsContact O-N 3.09Å; N313-S316 PolarHBondContact O-N 2.84Å; N313-S316 PolarHBondContact O-OG 3.17Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.24Å; S316-Q319 PolarHBondContact O-N 3.3Å; S316-N320 WeakPolarHBondContact O-CB 3.48Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 3.15Å; S316-N320 PolarHBondContact O-ND2 3.44Å |
| 317 | A | 88.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N313 L314 V315 N320 N321 D322 E325 F326 I329 | N313-A317 PolarHBondContact O-N 3.33Å; L314-A317 PolarHBondContact O-N 2.8Å; V315-A317 PolarHBondContact O-N 3.14Å; A317-N320 PolarHBondContact O-N 3.31Å; A317-N321 PolarHBondContact O-N 3.02Å; A317-D322 PolarHBondContact O-N 3.37Å; A317-E325 HydrophobicContact CB-CB 4.38Å; A317-E325 HydrophobicContact CB-CG 4.45Å; A317-F326 HydrophobicContact CB-CB 4.08Å; A317-F326 HydrophobicContact CB-CD2 4.12Å; A317-I329 HydrophobicContact CB-CD1 3.98Å |
| 318 | Y | 86.7 | Confident | 88 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 174.8 | -171.7 | -93.6 | 0 | 0 | 0 | 111.7 | M285 L314 V315 N320 N321 L350 I354 | M285-Y318 HydrophobicContact CB-CD1 4.29Å; M285-Y318 HydrophobicContact CB-CD2 4.32Å; M285-Y318 HydrophobicContact CB-CE1 4.35Å; M285-Y318 HydrophobicContact CB-CE2 4.43Å; M285-Y318 HydrophobicContact CB-CG 4.29Å; M285-Y318 HydrophobicContact CG-CD1 4.28Å; M285-Y318 HydrophobicContact CG-CG 4.2Å; M285-Y318 VanDerWaalsContact O-CZ 3.29Å; M285-Y318 PolarHBondContact O-OH 2.86Å; M285-Y318 HydrophobicContact SD-CG 4.31Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.1Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.49Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 3.24Å; Y318-N321 PolarHBondContact O-N 3.49Å; Y318-L350 HydrophobicContact CD2-CD1 4.02Å; Y318-L350 HydrophobicContact CD2-CG 4.2Å; Y318-L350 HydrophobicContact CE2-CD1 3.49Å; Y318-L350 VanDerWaalsContact CE2-CD1 3.49Å; Y318-L350 HydrophobicContact CE2-CG 4.05Å; Y318-I354 HydrophobicContact CD2-CD1 3.58Å; Y318-I354 HydrophobicContact CD2-CG1 3.29Å; Y318-I354 HydrophobicContact CE2-CD1 4.15Å; Y318-I354 HydrophobicContact CE2-CG1 3.4Å; Y318-I354 VanDerWaalsContact CE2-CG1 3.4Å; Y318-I354 HydrophobicContact CG-CG1 4.39Å |
| 319 | Q | 86.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 39 Ų | 39 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.7 | -73.9 | 179.4 | -11 | 0 | 0 | 112.6 | G290 V315 S316 N321 | G290-Q319 PolarHBondContact O-NE2 3.43Å; V315-Q319 HydrophobicContact CG1-CG 4.34Å; V315-Q319 WeakPolarHBondContact O-CG 3.19Å; V315-Q319 PolarHBondContact O-N 3.14Å; S316-Q319 PolarHBondContact O-N 3.3Å; Q319-N321 PolarHBondContact O-N 2.85Å; Q319-N321 PolarHBondContact O-ND2 3.41Å |
| 320 | N | 86.8 | Confident | 88.1 | Confident | 122 Ų | 122 | 36.1 Ų | 36.1 | 65% | 0.652 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -76 | -10.1 | 176.4 | -68.7 | -27.8 | 0 | 0 | 0 | 113.1 | S316 A317 Y318 D322 | S316-N320 WeakPolarHBondContact O-CB 3.48Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 3.15Å; S316-N320 PolarHBondContact O-ND2 3.44Å; A317-N320 PolarHBondContact O-N 3.31Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 3.24Å; N320-D322 VanDerWaalsContact C-N 3.29Å |
| 321 | N | 85.6 | Confident | 88.1 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 40.7 | -171.8 | -50.6 | -86.5 | 0 | 0 | 0 | 112.1 | A317 Y318 Q319 Q357 V358 | A317-N321 PolarHBondContact O-N 3.02Å; Y318-N321 PolarHBondContact O-N 3.49Å; Q319-N321 PolarHBondContact O-N 2.85Å; Q319-N321 PolarHBondContact O-ND2 3.41Å; N321-Q357 WeakPolarHBondContact OD1-CG 3.46Å; N321-Q357 PolarHBondContact OD1-NE2 3.21Å; N321-Q357 PolarHBondContact OD1-OE1 2.87Å; N321-V358 HydrophobicContact CB-CG2 3.79Å; N321-V358 WeakPolarHBondContact O-CG2 3.25Å |
| 322 | D | 86.7 | Confident | 88.1 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | trans | -100.2 | 105.1 | 179.7 | -171.2 | -20.2 | 0 | 0 | 0 | 110.4 | A317 N320 T324 E325 F326 | A317-D322 PolarHBondContact O-N 3.37Å; N320-D322 VanDerWaalsContact C-N 3.29Å; D322-T324 PolarHBondContact OD1-N 2.98Å; D322-T324 PolarHBondContact OD1-OG1 2.75Å; D322-E325 HydrophobicContact CB-CB 4.27Å; D322-E325 PolarHBondContact OD1-N 3.23Å; D322-E325 VanDerWaalsContact OD1-N 3.08Å; D322-F326 VanDerWaalsContact O-CB 3.27Å; D322-F326 WeakPolarHBondContact O-CB 3.41Å; D322-F326 PolarHBondContact O-N 2.85Å | ||
| 323 | I | 85.7 | Confident | 88 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | -179.5 | -58.1 | 158.8 | 0 | 0 | 0 | 110.7 | F326 E327 I354 R355 V358 L378 | I323-F326 PolarHBondContact O-N 3.2Å; I323-E327 HydrophobicContact CG2-CG 4.32Å; I323-E327 WeakPolarHBondContact O-CG 3.4Å; I323-E327 PolarHBondContact O-N 3.12Å; I323-I354 HydrophobicContact CG1-CG2 3.73Å; I323-R355 HydrophobicContact CD1-CG 3.94Å; I323-R355 HydrophobicContact CG1-CG 4.32Å; I323-V358 HydrophobicContact CD1-CB 3.93Å; I323-V358 HydrophobicContact CD1-CG1 4Å; I323-V358 HydrophobicContact CD1-CG2 3.85Å; I323-V358 HydrophobicContact CG1-CG2 4.03Å; I323-L378 HydrophobicContact CD1-CB 4.5Å; I323-L378 HydrophobicContact CD1-CD2 3.46Å; I323-L378 VanDerWaalsContact CD1-CD2 3.46Å |
| 324 | T | 87.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70 | -44.2 | -173.6 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | D322 F326 K328 | D322-T324 PolarHBondContact OD1-N 2.98Å; D322-T324 PolarHBondContact OD1-OG1 2.75Å; T324-F326 VanDerWaalsContact C-N 3.35Å; T324-K328 VanDerWaalsContact O-CB 3.26Å; T324-K328 WeakPolarHBondContact O-CB 3.46Å; T324-K328 PolarHBondContact O-N 3.05Å |
| 325 | E | 90.3 | Very high | 87.5 | Confident | 69 Ų | 69 | 55 Ų | 55 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 175.4 | -168.7 | 61.4 | -156.2 | 0 | 0 | 110.4 | A317 D322 K328 I329 | A317-E325 HydrophobicContact CB-CB 4.38Å; A317-E325 HydrophobicContact CB-CG 4.45Å; D322-E325 HydrophobicContact CB-CB 4.27Å; D322-E325 PolarHBondContact OD1-N 3.23Å; D322-E325 VanDerWaalsContact OD1-N 3.08Å; E325-K328 PolarHBondContact O-N 3.07Å; E325-K328 IonicContact OE1-NZ 3.02Å; E325-K328 PolarHBondContact OE1-NZ 3.1Å; E325-K328 IonicContact OE2-NZ 2.88Å; E325-K328 PolarHBondContact OE2-NZ 3.38Å; E325-I329 HydrophobicContact CG-CD1 3.94Å; E325-I329 HydrophobicContact CG-CG1 4.43Å; E325-I329 WeakPolarHBondContact O-CD1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.31Å; E325-I329 PolarHBondContact O-N 3.25Å |
| 326 | F | 88.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -49 | 176.1 | -165.4 | -86 | 0 | 0 | 0 | 112.3 | L314 A317 D322 I323 T324 K328 I329 L330 I347 L350 L351 I354 | L314-F326 HydrophobicContact CB-CE2 4.18Å; L314-F326 HydrophobicContact CD2-CD1 4.32Å; L314-F326 HydrophobicContact CD2-CD2 3.76Å; L314-F326 HydrophobicContact CD2-CE1 4.22Å; L314-F326 HydrophobicContact CD2-CE2 3.63Å; L314-F326 HydrophobicContact CD2-CG 4.1Å; L314-F326 HydrophobicContact CD2-CZ 3.86Å; L314-F326 HydrophobicContact CG-CE2 4.42Å; A317-F326 HydrophobicContact CB-CB 4.08Å; A317-F326 HydrophobicContact CB-CD2 4.12Å; D322-F326 VanDerWaalsContact O-CB 3.27Å; D322-F326 WeakPolarHBondContact O-CB 3.41Å; D322-F326 PolarHBondContact O-N 2.85Å; I323-F326 PolarHBondContact O-N 3.2Å; T324-F326 VanDerWaalsContact C-N 3.35Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.45Å; F326-I329 PolarHBondContact O-N 3.41Å; F326-L330 HydrophobicContact CD1-CD1 3.9Å; F326-L330 HydrophobicContact CD1-CG 4.34Å; F326-L330 HydrophobicContact CE1-CD1 3.66Å; F326-L330 HydrophobicContact CE1-CG 4.22Å; F326-L330 WeakPolarHBondContact O-CG 3.35Å; F326-L330 PolarHBondContact O-N 3.32Å; F326-L330 VanDerWaalsContact O-N 3.09Å; F326-I347 HydrophobicContact CE1-CD1 4.3Å; F326-I347 HydrophobicContact CZ-CD1 4.17Å; F326-L350 HydrophobicContact CE2-CD2 4.27Å; F326-L350 HydrophobicContact CZ-CD2 3.78Å; F326-L350 HydrophobicContact CZ-CG 4.26Å; F326-L351 HydrophobicContact CD1-CD2 3.55Å; F326-L351 HydrophobicContact CD1-CG 4.36Å; F326-L351 HydrophobicContact CE1-CD2 3.76Å; F326-L351 HydrophobicContact CE1-CG 4.07Å; F326-I354 HydrophobicContact CB-CD1 4.34Å; F326-I354 HydrophobicContact CD1-CD1 3.94Å; F326-I354 HydrophobicContact CD2-CD1 3.48Å; F326-I354 VanDerWaalsContact CD2-CD1 3.48Å; F326-I354 HydrophobicContact CE1-CD1 4.05Å; F326-I354 HydrophobicContact CE2-CD1 3.62Å; F326-I354 HydrophobicContact CG-CD1 3.66Å; F326-I354 HydrophobicContact CZ-CD1 3.91Å |
| 327 | E | 88.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 55.5 Ų | 55.5 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.8 | -73.5 | -178.5 | 172.8 | 0 | 0 | 112.4 | I323 L330 K331 L351 R355 N379 | I323-E327 HydrophobicContact CG2-CG 4.32Å; I323-E327 WeakPolarHBondContact O-CG 3.4Å; I323-E327 PolarHBondContact O-N 3.12Å; E327-L330 PolarHBondContact O-N 3.07Å; E327-K331 WeakPolarHBondContact O-CG 3.27Å; E327-K331 PolarHBondContact O-N 3.04Å; E327-L351 HydrophobicContact CG-CD2 4.25Å; E327-R355 IonicContact OE1-CZ 3.14Å; E327-R355 IonicContact OE1-NH2 3.98Å; E327-R355 PolarHBondContact OE1-NH2 3.27Å; E327-N379 PolarHBondContact OE2-ND2 3.31Å |
| 328 | K | 91.3 | Very high | 86.6 | Confident | 113 Ų | 113 | 57.1 Ų | 57.1 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.1 | 177.4 | -176.9 | 156.1 | -143.6 | 0 | 112 | T324 E325 F326 K331 T332 | T324-K328 VanDerWaalsContact O-CB 3.26Å; T324-K328 WeakPolarHBondContact O-CB 3.46Å; T324-K328 PolarHBondContact O-N 3.05Å; E325-K328 PolarHBondContact O-N 3.07Å; E325-K328 IonicContact OE1-NZ 3.02Å; E325-K328 PolarHBondContact OE1-NZ 3.1Å; E325-K328 IonicContact OE2-NZ 2.88Å; E325-K328 PolarHBondContact OE2-NZ 3.38Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.45Å; K328-K331 PolarHBondContact O-N 3.17Å; K328-T332 WeakPolarHBondContact O-CB 3.26Å; K328-T332 PolarHBondContact O-N 3.5Å; K328-T332 PolarHBondContact O-OG1 2.52Å |
| 329 | I | 90.5 | Very high | 86.6 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.2 | -66.7 | 158.3 | 0 | 0 | 0 | 110.2 | N313 L314 A317 E325 F326 K331 T332 N333 | N313-I329 HydrophobicContact CB-CD1 3.72Å; N313-I329 HydrophobicContact CB-CG1 4.2Å; N313-I329 HydrophobicContact CB-CG2 4.31Å; L314-I329 HydrophobicContact CD2-CB 3.93Å; L314-I329 HydrophobicContact CD2-CG2 3.64Å; L314-I329 HydrophobicContact CG-CG2 3.74Å; A317-I329 HydrophobicContact CB-CD1 3.98Å; E325-I329 HydrophobicContact CG-CD1 3.94Å; E325-I329 HydrophobicContact CG-CG1 4.43Å; E325-I329 WeakPolarHBondContact O-CD1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.31Å; E325-I329 PolarHBondContact O-N 3.25Å; F326-I329 PolarHBondContact O-N 3.41Å; I329-K331 PolarHBondContact O-N 3Å; I329-T332 PolarHBondContact O-N 3.37Å; I329-N333 PolarHBondContact O-N 2.91Å; I329-N333 PolarHBondContact O-ND2 2.73Å |
| 330 | L | 87.3 | Confident | 86.6 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.8 | -72 | 179.5 | 0 | 0 | 0 | 112.7 | L314 F326 E327 H334 I337 M338 I347 L351 | L314-L330 HydrophobicContact CD1-CD2 4.24Å; L314-L330 HydrophobicContact CD2-CD2 4.09Å; L314-L330 HydrophobicContact CD2-CG 4.15Å; F326-L330 HydrophobicContact CD1-CD1 3.9Å; F326-L330 HydrophobicContact CD1-CG 4.34Å; F326-L330 HydrophobicContact CE1-CD1 3.66Å; F326-L330 HydrophobicContact CE1-CG 4.22Å; F326-L330 WeakPolarHBondContact O-CG 3.35Å; F326-L330 PolarHBondContact O-N 3.32Å; F326-L330 VanDerWaalsContact O-N 3.09Å; E327-L330 PolarHBondContact O-N 3.07Å; L330-H334 WeakPolarHBondContact O-CA 3.31Å; L330-H334 PolarHBondContact O-N 3.15Å; L330-I337 HydrophobicContact CD2-CD1 4.09Å; L330-I337 HydrophobicContact CD2-CG2 3.93Å; L330-M338 HydrophobicContact CD1-CE 4.49Å; L330-M338 HydrophobicContact CD2-CE 4.44Å; L330-I347 HydrophobicContact CD1-CD1 4.41Å; L330-I347 HydrophobicContact CD1-CG1 3.95Å; L330-I347 HydrophobicContact CD2-CD1 4Å; L330-I347 HydrophobicContact CD2-CG1 4.07Å; L330-L351 HydrophobicContact CD1-CD1 4.43Å |
| 331 | K | 87.9 | Confident | 86.6 | Confident | 161 Ų | 161 | 58.1 Ų | 58.1 | 70% | 0.7 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 176.5 | -75.2 | 176.2 | -178.7 | 172.1 | 0 | 112.6 | E327 K328 I329 | E327-K331 WeakPolarHBondContact O-CG 3.27Å; E327-K331 PolarHBondContact O-N 3.04Å; K328-K331 PolarHBondContact O-N 3.17Å; I329-K331 PolarHBondContact O-N 3Å |
| 332 | T | 89.4 | Confident | 86.6 | Confident | 102 Ų | 102 | 57 Ų | 57 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71.9 | -42.2 | -176.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | K328 I329 | K328-T332 WeakPolarHBondContact O-CB 3.26Å; K328-T332 PolarHBondContact O-N 3.5Å; K328-T332 PolarHBondContact O-OG1 2.52Å; I329-T332 PolarHBondContact O-N 3.37Å |
| 333 | N | 87.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 38.2 | -176 | -58.6 | -72.6 | 0 | 0 | 0 | 111.9 | A310 I329 S335 N336 I337 | A310-N333 HydrophobicContact CB-CB 3.78Å; I329-N333 PolarHBondContact O-N 2.91Å; I329-N333 PolarHBondContact O-ND2 2.73Å; N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.82Å; N333-N336 PolarHBondContact O-N 3.46Å; N333-I337 HydrophobicContact CB-CD1 4.07Å; N333-I337 PolarHBondContact O-N 3.12Å |
| 334 | H | 83.1 | Confident | 86.8 | Confident | 105 Ų | 105 | 60.5 Ų | 60.5 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56 | -45.9 | -173.5 | -174.5 | -74.4 | 0 | 0 | 0 | 112.4 | L330 N336 I337 M338 | L330-H334 WeakPolarHBondContact O-CA 3.31Å; L330-H334 PolarHBondContact O-N 3.15Å; H334-N336 VanDerWaalsContact C-N 3.35Å; H334-N336 PolarHBondContact O-N 3.45Å; H334-I337 PolarHBondContact O-N 3.44Å; H334-M338 VanDerWaalsContact O-CB 3.28Å; H334-M338 WeakPolarHBondContact O-CB 3.38Å; H334-M338 PolarHBondContact O-N 3.25Å |
| 335 | S | 83.3 | Confident | 86.9 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | N333 I337 D339 | N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.82Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 3.23Å; S335-D339 WeakPolarHBondContact CA-OD2 3.37Å; S335-D339 WeakPolarHBondContact O-CB 3.48Å |
| 336 | N | 81.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 59 Ų | 59 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.9 | -19.1 | -172.5 | -64.7 | -14.5 | 0 | 0 | 0 | 113.7 | K278 N333 H334 | K278-N336 PolarHBondContact NZ-O 2.93Å; K278-N336 VanDerWaalsContact NZ-O 3.08Å; N333-N336 PolarHBondContact O-N 3.46Å; H334-N336 VanDerWaalsContact C-N 3.35Å; H334-N336 PolarHBondContact O-N 3.45Å |
| 337 | I | 81.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -115.5 | -48.5 | -172.2 | -61.2 | 163.6 | 0 | 0 | 0 | 111.4 | A310 M311 L314 L330 N333 H334 S335 I343 | A310-I337 HydrophobicContact CB-CD1 4.08Å; A310-I337 HydrophobicContact CB-CG1 4.46Å; M311-I337 HydrophobicContact SD-CG1 4.44Å; L314-I337 HydrophobicContact CD1-CD1 3.66Å; L314-I337 HydrophobicContact CD1-CG1 4.48Å; L314-I337 HydrophobicContact CG-CD1 4.41Å; L330-I337 HydrophobicContact CD2-CD1 4.09Å; L330-I337 HydrophobicContact CD2-CG2 3.93Å; N333-I337 HydrophobicContact CB-CD1 4.07Å; N333-I337 PolarHBondContact O-N 3.12Å; H334-I337 PolarHBondContact O-N 3.44Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 3.23Å; I337-I343 HydrophobicContact CG2-CG2 3.96Å |
| 338 | M | 82.4 | Confident | 86.6 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.6 | -16.6 | -171.8 | -64 | -64.6 | -158.8 | 0 | 0 | 113.9 | L330 H334 D340 R344 I347 | L330-M338 HydrophobicContact CD1-CE 4.49Å; L330-M338 HydrophobicContact CD2-CE 4.44Å; H334-M338 VanDerWaalsContact O-CB 3.28Å; H334-M338 WeakPolarHBondContact O-CB 3.38Å; H334-M338 PolarHBondContact O-N 3.25Å; M338-D340 PolarHBondContact O-N 3.36Å; M338-R344 HydrophobicContact SD-CG 4.25Å; M338-I347 HydrophobicContact CE-CG2 4.26Å; M338-I347 HydrophobicContact SD-CG2 4.39Å |
| 339 | D | 86.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.4 | 175 | -67.5 | -7 | 0 | 0 | 0 | 111.2 | S335 P341 | S335-D339 WeakPolarHBondContact CA-OD2 3.37Å; S335-D339 WeakPolarHBondContact O-CB 3.48Å; D339-P341 WeakPolarHBondContact O-CD 3.38Å |
| 340 | D | 87 | Confident | 86.2 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -80 | 113.6 | 172.3 | -170.1 | -47.3 | 0 | 0 | 0 | 110.4 | Y279 M338 F342 I343 R344 | Y279-D340 VanDerWaalsContact CE1-OD2 3.24Å; Y279-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y279-D340 PolarHBondContact OH-OD2 3.08Å; M338-D340 PolarHBondContact O-N 3.36Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 3.06Å; D340-F342 WeakPolarHBondContact OD1-CA 3.19Å; D340-F342 VanDerWaalsContact OD1-CB 3.23Å; D340-F342 WeakPolarHBondContact OD1-CB 3.2Å; D340-F342 PolarHBondContact OD1-N 2.88Å; D340-I343 HydrophobicContact CB-CB 4.23Å; D340-I343 HydrophobicContact CB-CD1 3.9Å; D340-I343 HydrophobicContact CB-CG1 3.97Å; D340-I343 PolarHBondContact O-N 3.47Å; D340-I343 PolarHBondContact OD1-N 3.28Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.2Å; D340-R344 VanDerWaalsContact O-N 3.15Å |
| 341 | P | 86 | Confident | 86.2 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -27 | -177.4 | 28.2 | -35 | 0 | 0 | 0 | 113.1 | D339 E345 | D339-P341 WeakPolarHBondContact O-CD 3.38Å; P341-E345 PolarHBondContact O-N 3.46Å |
| 342 | F | 86.5 | Confident | 86.1 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.3 | -43.8 | 179.2 | 178.7 | -99.3 | 0 | 0 | 0 | 110.7 | K243 L246 F258 Y279 L282 D340 R344 E345 H346 | K243-F342 HydrophobicContact CB-CE2 3.88Å; K243-F342 HydrophobicContact CB-CZ 3.99Å; K243-F342 HydrophobicContact CG-CD2 4.29Å; K243-F342 HydrophobicContact CG-CE1 4.07Å; K243-F342 HydrophobicContact CG-CE2 3.8Å; K243-F342 HydrophobicContact CG-CZ 3.67Å; L246-F342 HydrophobicContact CB-CZ 3.98Å; L246-F342 HydrophobicContact CD2-CE1 3.64Å; L246-F342 HydrophobicContact CD2-CE2 4.39Å; L246-F342 HydrophobicContact CD2-CZ 3.38Å; L246-F342 HydrophobicContact CG-CZ 4.31Å; F258-F342 HydrophobicContact CZ-CE1 4.21Å; F258-F342 HydrophobicContact CZ-CZ 4.3Å; Y279-F342 AromaticContact CD1-CD1 3.63Å; Y279-F342 HydrophobicContact CD1-CD1 3.63Å; Y279-F342 AromaticContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CE1-CB 4.46Å; Y279-F342 AromaticContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CE1 4.3Å; Y279-F342 HydrophobicContact CE1-CG 4.42Å; Y279-F342 HydrophobicContact CG-CD1 4.36Å; Y279-F342 HydrophobicContact CG-CE1 4.3Å; L282-F342 HydrophobicContact CD2-CE1 4.46Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 3.06Å; D340-F342 WeakPolarHBondContact OD1-CA 3.19Å; D340-F342 VanDerWaalsContact OD1-CB 3.23Å; D340-F342 WeakPolarHBondContact OD1-CB 3.2Å; D340-F342 PolarHBondContact OD1-N 2.88Å; F342-R344 VanDerWaalsContact C-N 3.34Å; F342-R344 PolarHBondContact O-N 3.37Å; F342-E345 PolarHBondContact O-N 2.94Å; F342-H346 PolarHBondContact O-CD2 3.43Å |
| 343 | I | 88.3 | Confident | 86 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.8 | -58.8 | 178 | 0 | 0 | 0 | 110.6 | K278 Y279 L282 I337 D340 E345 H346 I347 | K278-I343 HydrophobicContact CB-CD1 3.9Å; K278-I343 HydrophobicContact CD-CD1 4.28Å; Y279-I343 HydrophobicContact CD1-CD1 4.33Å; Y279-I343 HydrophobicContact CD1-CG1 4.01Å; Y279-I343 HydrophobicContact CE1-CD1 4.16Å; Y279-I343 HydrophobicContact CE1-CG1 3.85Å; L282-I343 HydrophobicContact CD2-CB 4.44Å; L282-I343 HydrophobicContact CD2-CG1 4.3Å; L282-I343 HydrophobicContact CD2-CG2 4.34Å; I337-I343 HydrophobicContact CG2-CG2 3.96Å; D340-I343 HydrophobicContact CB-CB 4.23Å; D340-I343 HydrophobicContact CB-CD1 3.9Å; D340-I343 HydrophobicContact CB-CG1 3.97Å; D340-I343 PolarHBondContact O-N 3.47Å; D340-I343 PolarHBondContact OD1-N 3.28Å; I343-E345 PolarHBondContact O-N 2.93Å; I343-H346 PolarHBondContact O-N 3.19Å; I343-H346 VanDerWaalsContact O-N 3.12Å; I343-I347 PolarHBondContact O-N 2.93Å; I343-I347 VanDerWaalsContact O-N 3.08Å |
| 344 | R | 88.6 | Confident | 86 | Confident | 143 Ų | 143 | 52.6 Ų | 52.6 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -32 | 179.7 | -175 | 178.9 | 61 | -172.9 | -5.4 | 113.4 | M338 D340 F342 H346 I347 | M338-R344 HydrophobicContact SD-CG 4.25Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.2Å; D340-R344 VanDerWaalsContact O-N 3.15Å; F342-R344 VanDerWaalsContact C-N 3.34Å; F342-R344 PolarHBondContact O-N 3.37Å; R344-H346 VanDerWaalsContact C-N 3.29Å; R344-H346 PolarHBondContact O-N 2.95Å; R344-I347 WeakPolarHBondContact O-CG2 3.33Å |
| 345 | E | 88.7 | Confident | 86.2 | Confident | 114 Ų | 114 | 49.1 Ų | 49.1 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -35.5 | 177.7 | -169.6 | 174.5 | 170.6 | 0 | 0 | 111.9 | R247 P341 F342 I343 | R247-E345 IonicContact NH2-OE2 3.91Å; P341-E345 PolarHBondContact O-N 3.46Å; F342-E345 PolarHBondContact O-N 2.94Å; I343-E345 PolarHBondContact O-N 2.93Å |
| 346 | H | 88.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -100.1 | -8.9 | -174.8 | -64.3 | -73.7 | 0 | 0 | 0 | 114.4 | L282 L286 F342 I343 R344 E348 E349 L350 | L282-H346 HydrophobicContact CD1-CB 4.3Å; L282-H346 HydrophobicContact CD2-CB 4.16Å; L286-H346 HydrophobicContact CD1-CB 4.1Å; F342-H346 PolarHBondContact O-CD2 3.43Å; I343-H346 PolarHBondContact O-N 3.19Å; I343-H346 VanDerWaalsContact O-N 3.12Å; R344-H346 VanDerWaalsContact C-N 3.29Å; R344-H346 PolarHBondContact O-N 2.95Å; H346-E348 VanDerWaalsContact C-N 3.3Å; H346-E348 PolarHBondContact O-N 3.3Å; H346-E349 IonicContact ND1-OE2 3.69Å; H346-E349 PolarHBondContact O-N 3.38Å; H346-L350 PolarHBondContact O-N 3.1Å; H346-L350 VanDerWaalsContact O-N 3.12Å |
| 347 | I | 87.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -33.4 | -177.2 | -157.4 | 65.5 | 0 | 0 | 0 | 112.7 | F326 L330 M338 I343 R344 L350 L351 | F326-I347 HydrophobicContact CE1-CD1 4.3Å; F326-I347 HydrophobicContact CZ-CD1 4.17Å; L330-I347 HydrophobicContact CD1-CD1 4.41Å; L330-I347 HydrophobicContact CD1-CG1 3.95Å; L330-I347 HydrophobicContact CD2-CD1 4Å; L330-I347 HydrophobicContact CD2-CG1 4.07Å; M338-I347 HydrophobicContact CE-CG2 4.26Å; M338-I347 HydrophobicContact SD-CG2 4.39Å; I343-I347 PolarHBondContact O-N 2.93Å; I343-I347 VanDerWaalsContact O-N 3.08Å; R344-I347 WeakPolarHBondContact O-CG2 3.33Å; I347-L350 HydrophobicContact CD1-CD2 4.41Å; I347-L350 PolarHBondContact O-N 3.08Å; I347-L351 PolarHBondContact O-N 2.89Å |
| 348 | E | 85.3 | Confident | 87 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 178 | -179.6 | 57.2 | -147.1 | 0 | 0 | 111.1 | H346 L350 L351 R352 | H346-E348 VanDerWaalsContact C-N 3.3Å; H346-E348 PolarHBondContact O-N 3.3Å; E348-L350 VanDerWaalsContact C-N 3.26Å; E348-L350 PolarHBondContact O-N 3.33Å; E348-L351 PolarHBondContact O-N 3.09Å; E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.49Å; E348-R352 IonicContact OE1-CZ 3.6Å; E348-R352 IonicContact OE1-NE 3.84Å; E348-R352 PolarHBondContact OE1-NE 2.83Å; E348-R352 VanDerWaalsContact OE1-NE 3.14Å; E348-R352 IonicContact OE1-NH2 3.77Å |
| 349 | E | 87 | Confident | 87.4 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 173.6 | -173.8 | 176.1 | -175.2 | 0 | 0 | 111.1 | L286 H346 R352 N353 | L286-E349 HydrophobicContact CD2-CB 4.45Å; L286-E349 HydrophobicContact CD2-CG 4.21Å; H346-E349 IonicContact ND1-OE2 3.69Å; H346-E349 PolarHBondContact O-N 3.38Å; E349-R352 PolarHBondContact O-N 3.28Å; E349-N353 PolarHBondContact O-N 2.88Å; E349-N353 PolarHBondContact O-ND2 3.47Å |
| 350 | L | 86.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | 178.8 | -163 | 64.5 | 0 | 0 | 0 | 112.6 | L282 M285 L286 Y318 F326 H346 I347 E348 R352 N353 I354 | L282-L350 HydrophobicContact CD1-CD2 4.36Å; M285-L350 HydrophobicContact CB-CD1 3.63Å; M285-L350 HydrophobicContact CB-CD2 3.88Å; M285-L350 HydrophobicContact CB-CG 4.39Å; M285-L350 HydrophobicContact CE-CD2 3.53Å; M285-L350 HydrophobicContact SD-CD2 3.86Å; L286-L350 HydrophobicContact CD2-CB 4.45Å; L286-L350 HydrophobicContact CD2-CD1 4.05Å; L286-L350 HydrophobicContact CG-CD1 4.29Å; Y318-L350 HydrophobicContact CD2-CD1 4.02Å; Y318-L350 HydrophobicContact CD2-CG 4.2Å; Y318-L350 HydrophobicContact CE2-CD1 3.49Å; Y318-L350 VanDerWaalsContact CE2-CD1 3.49Å; Y318-L350 HydrophobicContact CE2-CG 4.05Å; F326-L350 HydrophobicContact CE2-CD2 4.27Å; F326-L350 HydrophobicContact CZ-CD2 3.78Å; F326-L350 HydrophobicContact CZ-CG 4.26Å; H346-L350 PolarHBondContact O-N 3.1Å; H346-L350 VanDerWaalsContact O-N 3.12Å; I347-L350 HydrophobicContact CD1-CD2 4.41Å; I347-L350 PolarHBondContact O-N 3.08Å; E348-L350 VanDerWaalsContact C-N 3.26Å; E348-L350 PolarHBondContact O-N 3.33Å; L350-R352 VanDerWaalsContact C-N 3.31Å; L350-R352 PolarHBondContact O-N 2.86Å; L350-N353 WeakPolarHBondContact O-CB 3.45Å; L350-N353 PolarHBondContact O-N 2.93Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.07Å |
| 351 | L | 87.1 | Confident | 87.5 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 172.9 | -81.5 | 170 | 0 | 0 | 0 | 111.7 | F326 E327 L330 I347 E348 N353 I354 R355 | F326-L351 HydrophobicContact CD1-CD2 3.55Å; F326-L351 HydrophobicContact CD1-CG 4.36Å; F326-L351 HydrophobicContact CE1-CD2 3.76Å; F326-L351 HydrophobicContact CE1-CG 4.07Å; E327-L351 HydrophobicContact CG-CD2 4.25Å; L330-L351 HydrophobicContact CD1-CD1 4.43Å; I347-L351 PolarHBondContact O-N 2.89Å; E348-L351 PolarHBondContact O-N 3.09Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.28Å; L351-I354 PolarHBondContact O-N 3.4Å; L351-R355 WeakPolarHBondContact O-CB 3.35Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.2Å |
| 352 | R | 86.7 | Confident | 87.7 | Confident | 119 Ų | 119 | 48.7 Ų | 48.7 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.7 | -70 | 174 | -172.8 | -153.6 | 2 | 112 | E348 E349 L350 R355 T356 | E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.49Å; E348-R352 IonicContact OE1-CZ 3.6Å; E348-R352 IonicContact OE1-NE 3.84Å; E348-R352 PolarHBondContact OE1-NE 2.83Å; E348-R352 VanDerWaalsContact OE1-NE 3.14Å; E348-R352 IonicContact OE1-NH2 3.77Å; E349-R352 PolarHBondContact O-N 3.28Å; L350-R352 VanDerWaalsContact C-N 3.31Å; L350-R352 PolarHBondContact O-N 2.86Å; R352-R355 PolarHBondContact O-N 2.84Å; R352-T356 WeakPolarHBondContact O-CB 3.41Å; R352-T356 PolarHBondContact O-N 2.83Å; R352-T356 PolarHBondContact O-OG1 3.49Å |
| 353 | N | 86.4 | Confident | 87.8 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.1 | -78.3 | -39.3 | 0 | 0 | 0 | 112.2 | K288 E349 L350 L351 T356 Q357 | K288-N353 WeakPolarHBondContact CE-OD1 3.46Å; K288-N353 PolarHBondContact NZ-OD1 3.2Å; K288-N353 VanDerWaalsContact NZ-OD1 3.15Å; E349-N353 PolarHBondContact O-N 2.88Å; E349-N353 PolarHBondContact O-ND2 3.47Å; L350-N353 WeakPolarHBondContact O-CB 3.45Å; L350-N353 PolarHBondContact O-N 2.93Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.28Å; N353-T356 WeakPolarHBondContact O-CB 3.5Å; N353-T356 PolarHBondContact O-N 3.47Å; N353-Q357 PolarHBondContact O-N 3.02Å |
| 354 | I | 86.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 176.4 | -58.3 | 168.5 | 0 | 0 | 0 | 110.1 | Y318 I323 F326 L350 L351 T356 Q357 V358 | Y318-I354 HydrophobicContact CD2-CD1 3.58Å; Y318-I354 HydrophobicContact CD2-CG1 3.29Å; Y318-I354 HydrophobicContact CE2-CD1 4.15Å; Y318-I354 HydrophobicContact CE2-CG1 3.4Å; Y318-I354 VanDerWaalsContact CE2-CG1 3.4Å; Y318-I354 HydrophobicContact CG-CG1 4.39Å; I323-I354 HydrophobicContact CG1-CG2 3.73Å; F326-I354 HydrophobicContact CB-CD1 4.34Å; F326-I354 HydrophobicContact CD1-CD1 3.94Å; F326-I354 HydrophobicContact CD2-CD1 3.48Å; F326-I354 VanDerWaalsContact CD2-CD1 3.48Å; F326-I354 HydrophobicContact CE1-CD1 4.05Å; F326-I354 HydrophobicContact CE2-CD1 3.62Å; F326-I354 HydrophobicContact CG-CD1 3.66Å; F326-I354 HydrophobicContact CZ-CD1 3.91Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.07Å; L351-I354 PolarHBondContact O-N 3.4Å; I354-T356 VanDerWaalsContact C-N 3.27Å; I354-T356 PolarHBondContact O-N 2.62Å; I354-Q357 PolarHBondContact O-N 3.32Å; I354-V358 HydrophobicContact CG2-CG2 4.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.25Å; I354-V358 PolarHBondContact O-N 3.37Å |
| 355 | R | 88 | Confident | 88 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 179.5 | -73.3 | 169.6 | -179.6 | 165.3 | 1.9 | 111.6 | I323 E327 L351 R352 Q357 V358 L359 L388 | I323-R355 HydrophobicContact CD1-CG 3.94Å; I323-R355 HydrophobicContact CG1-CG 4.32Å; E327-R355 IonicContact OE1-CZ 3.14Å; E327-R355 IonicContact OE1-NH2 3.98Å; E327-R355 PolarHBondContact OE1-NH2 3.27Å; L351-R355 WeakPolarHBondContact O-CB 3.35Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.2Å; R352-R355 PolarHBondContact O-N 2.84Å; R355-Q357 PolarHBondContact O-N 3.29Å; R355-V358 PolarHBondContact O-N 2.86Å; R355-L359 WeakPolarHBondContact O-CB 3.39Å; R355-L359 PolarHBondContact O-N 3.33Å; R355-L388 HydrophobicContact CB-CD2 3.98Å |
| 356 | T | 88.3 | Confident | 88.1 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 175 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | R352 N353 I354 L359 I360 | R352-T356 WeakPolarHBondContact O-CB 3.41Å; R352-T356 PolarHBondContact O-N 2.83Å; R352-T356 PolarHBondContact O-OG1 3.49Å; N353-T356 WeakPolarHBondContact O-CB 3.5Å; N353-T356 PolarHBondContact O-N 3.47Å; I354-T356 VanDerWaalsContact C-N 3.27Å; I354-T356 PolarHBondContact O-N 2.62Å; T356-L359 PolarHBondContact O-N 2.81Å; T356-I360 HydrophobicContact CG2-CD1 3.99Å; T356-I360 VanDerWaalsContact O-CG1 3.27Å; T356-I360 WeakPolarHBondContact O-CG1 3.48Å; T356-I360 PolarHBondContact O-N 2.83Å |
| 357 | Q | 85.7 | Confident | 88 | Confident | 91 Ų | 91 | 56 Ų | 56 | 43% | 0.425 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | -178.8 | -168.5 | 160.2 | -4 | 0 | 0 | 112.6 | N321 N353 I354 R355 I360 K361 | N321-Q357 WeakPolarHBondContact OD1-CG 3.46Å; N321-Q357 PolarHBondContact OD1-NE2 3.21Å; N321-Q357 PolarHBondContact OD1-OE1 2.87Å; N353-Q357 PolarHBondContact O-N 3.02Å; I354-Q357 PolarHBondContact O-N 3.32Å; R355-Q357 PolarHBondContact O-N 3.29Å; Q357-I360 PolarHBondContact O-N 3.32Å; Q357-K361 PolarHBondContact O-N 3.18Å |
| 358 | V | 88.5 | Confident | 88.2 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | N321 I323 I354 R355 I360 K361 L362 L378 | N321-V358 HydrophobicContact CB-CG2 3.79Å; N321-V358 WeakPolarHBondContact O-CG2 3.25Å; I323-V358 HydrophobicContact CD1-CB 3.93Å; I323-V358 HydrophobicContact CD1-CG1 4Å; I323-V358 HydrophobicContact CD1-CG2 3.85Å; I323-V358 HydrophobicContact CG1-CG2 4.03Å; I354-V358 HydrophobicContact CG2-CG2 4.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.25Å; I354-V358 PolarHBondContact O-N 3.37Å; R355-V358 PolarHBondContact O-N 2.86Å; V358-I360 PolarHBondContact O-N 3.12Å; V358-K361 PolarHBondContact O-N 2.95Å; V358-K361 VanDerWaalsContact O-N 3.15Å; V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 PolarHBondContact O-N 2.87Å; V358-L378 HydrophobicContact CB-CD2 3.96Å; V358-L378 HydrophobicContact CG1-CD2 3.62Å |
| 359 | L | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 177.7 | 178.3 | 61.5 | 0 | 0 | 0 | 111.7 | R355 T356 K361 L362 I363 I374 L378 L388 L389 I398 | R355-L359 WeakPolarHBondContact O-CB 3.39Å; R355-L359 PolarHBondContact O-N 3.33Å; T356-L359 PolarHBondContact O-N 2.81Å; L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.41Å; L359-L362 PolarHBondContact O-N 3.4Å; L359-L362 VanDerWaalsContact O-N 3.12Å; L359-I363 HydrophobicContact CD1-CG2 3.8Å; L359-I363 HydrophobicContact CG-CG2 4.43Å; L359-I363 WeakPolarHBondContact O-CG1 3.33Å; L359-I363 WeakPolarHBondContact O-CG2 3.25Å; L359-I363 PolarHBondContact O-N 2.92Å; L359-I374 HydrophobicContact CD1-CD1 4.14Å; L359-I374 HydrophobicContact CD1-CG1 4.41Å; L359-I374 HydrophobicContact CD1-CG2 3.59Å; L359-L378 HydrophobicContact CB-CD1 4.33Å; L359-L378 HydrophobicContact CD1-CD1 4.33Å; L359-L388 HydrophobicContact CD2-CD2 4.11Å; L359-L388 HydrophobicContact CD2-CG 4.35Å; L359-L389 HydrophobicContact CD1-CD2 4.37Å; L359-L389 HydrophobicContact CD2-CD2 3.81Å; L359-L389 HydrophobicContact CD2-CG 4.39Å; L359-I398 HydrophobicContact CD2-CD1 3.63Å; L359-I398 HydrophobicContact CG-CD1 3.88Å |
| 360 | I | 88.1 | Confident | 89 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 177.3 | -69.5 | 164.4 | 0 | 0 | 0 | 111.1 | T356 Q357 V358 K364 I398 | T356-I360 HydrophobicContact CG2-CD1 3.99Å; T356-I360 VanDerWaalsContact O-CG1 3.27Å; T356-I360 WeakPolarHBondContact O-CG1 3.48Å; T356-I360 PolarHBondContact O-N 2.83Å; Q357-I360 PolarHBondContact O-N 3.32Å; V358-I360 PolarHBondContact O-N 3.12Å; I360-K364 WeakPolarHBondContact O-CG 3.44Å; I360-I398 HydrophobicContact CG1-CG1 4.19Å |
| 361 | K | 87.8 | Confident | 89.3 | Confident | 153 Ų | 153 | 60.4 Ų | 60.4 | 67% | 0.665 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.4 | -38 | 177.1 | -171.4 | 176 | 176.4 | -175.4 | 0 | 111.8 | Q357 V358 L359 | Q357-K361 PolarHBondContact O-N 3.18Å; V358-K361 PolarHBondContact O-N 2.95Å; V358-K361 VanDerWaalsContact O-N 3.15Å; L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.41Å |
| 362 | L | 90.3 | Very high | 89.6 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.8 | -40.3 | -178.5 | -175.4 | 65.5 | 0 | 0 | 0 | 112.5 | V358 L359 P365 Y366 I369 F373 I374 E377 | V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 PolarHBondContact O-N 2.87Å; L359-L362 PolarHBondContact O-N 3.4Å; L359-L362 VanDerWaalsContact O-N 3.12Å; L362-P365 WeakPolarHBondContact O-CD 3.48Å; L362-Y366 WeakPolarHBondContact O-CD2 3.2Å; L362-Y366 VanDerWaalsContact O-CE2 3.25Å; L362-Y366 WeakPolarHBondContact O-CE2 3.42Å; L362-I369 HydrophobicContact CG-CD1 4.44Å; L362-F373 HydrophobicContact CD1-CE1 4.34Å; L362-I374 HydrophobicContact CD2-CG1 4.35Å; L362-E377 HydrophobicContact CD1-CG 3.98Å; L362-E377 HydrophobicContact CD2-CB 3.86Å; L362-E377 HydrophobicContact CD2-CG 3.81Å |
| 363 | I | 89.9 | Confident | 89.9 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.4 | -23.7 | -175.7 | 66.3 | -177.6 | 0 | 0 | 0 | 113.5 | L359 P365 Y366 I369 I398 L409 L411 | L359-I363 HydrophobicContact CD1-CG2 3.8Å; L359-I363 HydrophobicContact CG-CG2 4.43Å; L359-I363 WeakPolarHBondContact O-CG1 3.33Å; L359-I363 WeakPolarHBondContact O-CG2 3.25Å; L359-I363 PolarHBondContact O-N 2.92Å; I363-P365 VanDerWaalsContact C-CD 3.47Å; I363-Y366 PolarHBondContact O-N 3.18Å; I363-I369 HydrophobicContact CG2-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CG2 4.41Å; I363-I398 HydrophobicContact CD1-CB 4.35Å; I363-I398 HydrophobicContact CD1-CD1 3.83Å; I363-I398 HydrophobicContact CD1-CG1 3.79Å; I363-I398 HydrophobicContact CD1-CG2 3.73Å; I363-L409 HydrophobicContact CG2-CD2 4.06Å; I363-L411 HydrophobicContact CB-CD1 3.95Å; I363-L411 HydrophobicContact CD1-CD2 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.37Å; I363-L411 VanDerWaalsContact O-CD1 3.27Å; I363-L411 WeakPolarHBondContact O-CD1 3.34Å |
| 364 | K | 88.2 | Confident | 90.2 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -45.3 | -176.2 | -91.4 | 177.6 | -178 | -175.9 | 0 | 115.9 | I360 Y366 | I360-K364 WeakPolarHBondContact O-CG 3.44Å; K364-Y366 VanDerWaalsContact C-N 3.32Å |
| 365 | P | 91.4 | Very high | 90.5 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 66% | 0.662 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.4 | -179 | 29.8 | -34.6 | 0 | 0 | 0 | 114.3 | L362 I363 | L362-P365 WeakPolarHBondContact O-CD 3.48Å; I363-P365 VanDerWaalsContact C-CD 3.47Å |
| 366 | Y | 90.8 | Very high | 90.6 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | trans | -101.9 | 149.6 | -174.7 | -60.2 | -81.1 | 0 | 0 | 0 | 111.6 | L362 I363 K364 I369 L411 | L362-Y366 WeakPolarHBondContact O-CD2 3.2Å; L362-Y366 VanDerWaalsContact O-CE2 3.25Å; L362-Y366 WeakPolarHBondContact O-CE2 3.42Å; I363-Y366 PolarHBondContact O-N 3.18Å; K364-Y366 VanDerWaalsContact C-N 3.32Å; Y366-I369 HydrophobicContact CD2-CD1 3.76Å; Y366-I369 HydrophobicContact CD2-CG1 4.49Å; Y366-I369 HydrophobicContact CE2-CD1 4.11Å; Y366-I369 HydrophobicContact CG-CB 4.33Å; Y366-I369 HydrophobicContact CG-CD1 4.2Å; Y366-I369 HydrophobicContact CG-CG1 4.46Å; Y366-L411 WeakPolarHBondContact O-CD1 3.14Å | ||
| 367 | T | 88.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 71.3 Ų | 71.3 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -98.9 | -36.4 | 167.7 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | L411 Y413 | T367-L411 PolarHBondContact O-N 3.25Å; T367-Y413 HydrophobicContact CG2-CD2 4.07Å; T367-Y413 HydrophobicContact CG2-CG 4.42Å |
| 368 | R | 91.3 | Very high | 90.6 | Very high | 145 Ų | 145 | 67 Ų | 67 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.1 | 173.1 | -64.5 | 174.3 | 67.4 | -169.2 | 2.6 | 107.7 | L409 E410 | R368-L409 WeakPolarHBondContact CA-O 3.1Å; R368-E410 HydrophobicContact CG-CG 4.24Å |
| 369 | I | 94.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.7 | -177.8 | -173.2 | 172.3 | 0 | 0 | 0 | 109.8 | L362 I363 Y366 F373 I374 L408 L409 | L362-I369 HydrophobicContact CG-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CG2 4.41Å; Y366-I369 HydrophobicContact CD2-CD1 3.76Å; Y366-I369 HydrophobicContact CD2-CG1 4.49Å; Y366-I369 HydrophobicContact CE2-CD1 4.11Å; Y366-I369 HydrophobicContact CG-CB 4.33Å; Y366-I369 HydrophobicContact CG-CD1 4.2Å; Y366-I369 HydrophobicContact CG-CG1 4.46Å; I369-F373 HydrophobicContact CD1-CD1 3.95Å; I369-F373 HydrophobicContact CD1-CE1 4.31Å; I369-F373 HydrophobicContact CG1-CD1 4.04Å; I369-I374 HydrophobicContact CD1-CD1 4.07Å; I369-I374 HydrophobicContact CD1-CG1 3.69Å; I369-I374 HydrophobicContact CG1-CD1 4.21Å; I369-I374 HydrophobicContact CG1-CG1 4.02Å; I369-I374 HydrophobicContact CG2-CD1 3.87Å; I369-L408 CarbonylContact O-C 3.58Å; I369-L408 WeakPolarHBondContact O-CA 3.1Å; I369-L409 HydrophobicContact CG2-CB 3.73Å; I369-L409 HydrophobicContact CG2-CD2 3.89Å; I369-L409 HydrophobicContact CG2-CG 4.24Å; I369-L409 PolarHBondContact N-O 3.14Å; I369-L409 PolarHBondContact O-N 2.97Å |
| 370 | H | 94 | Very high | 90.5 | Very high | 115 Ų | 115 | 71.4 Ų | 71.4 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.5 | 178.1 | -78.4 | -71.4 | 0 | 0 | 0 | 110.9 | F373 I374 | H370-F373 HydrophobicContact CB-CB 4.09Å; H370-F373 WeakPolarHBondContact O-CB 3.26Å; H370-F373 PolarHBondContact O-N 3.29Å; H370-I374 PolarHBondContact O-N 3.31Å |
| 371 | I | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.2 | -54.9 | 175.9 | 0 | 0 | 0 | 111.1 | F373 I374 S375 V382 V385 L389 I402 Q407 | I371-F373 PolarHBondContact O-N 3.44Å; I371-I374 WeakPolarHBondContact O-CB 3.29Å; I371-I374 PolarHBondContact O-N 3.31Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I371-S375 PolarHBondContact O-N 2.7Å; I371-V382 HydrophobicContact CG2-CG1 3.84Å; I371-V385 HydrophobicContact CG2-CB 4.14Å; I371-V385 HydrophobicContact CG2-CG1 3.76Å; I371-L389 HydrophobicContact CG1-CD1 4.49Å; I371-I402 HydrophobicContact CD1-CG2 3.89Å; I371-Q407 PolarHBondContact N-O 3.46Å |
| 372 | P | 94.3 | Very high | 90.9 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -26.4 | 173.7 | -27 | 35.7 | 0 | 0 | 0 | 114.6 | K376 Q407 | P372-K376 WeakPolarHBondContact O-CG 3.3Å; P372-K376 PolarHBondContact O-N 2.88Å; P372-Q407 HydrophobicContact CG-CB 4.49Å |
| 373 | F | 93.4 | Very high | 90.9 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 38% | 0.382 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.9 | -43.6 | 174.9 | 177.1 | -95.8 | 0 | 0 | 0 | 110.6 | L362 I369 H370 I371 S375 K376 E377 | L362-F373 HydrophobicContact CD1-CE1 4.34Å; I369-F373 HydrophobicContact CD1-CD1 3.95Å; I369-F373 HydrophobicContact CD1-CE1 4.31Å; I369-F373 HydrophobicContact CG1-CD1 4.04Å; H370-F373 HydrophobicContact CB-CB 4.09Å; H370-F373 WeakPolarHBondContact O-CB 3.26Å; H370-F373 PolarHBondContact O-N 3.29Å; I371-F373 PolarHBondContact O-N 3.44Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 3.04Å; F373-K376 PolarHBondContact O-N 3.12Å; F373-E377 PolarHBondContact O-N 3.41Å; F373-E377 VanDerWaalsContact O-N 3.1Å |
| 374 | I | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.2 | -62.4 | 167.2 | 0 | 0 | 0 | 110.9 | L359 L362 I369 H370 I371 K376 E377 L378 V385 L409 | L359-I374 HydrophobicContact CD1-CD1 4.14Å; L359-I374 HydrophobicContact CD1-CG1 4.41Å; L359-I374 HydrophobicContact CD1-CG2 3.59Å; L362-I374 HydrophobicContact CD2-CG1 4.35Å; I369-I374 HydrophobicContact CD1-CD1 4.07Å; I369-I374 HydrophobicContact CD1-CG1 3.69Å; I369-I374 HydrophobicContact CG1-CD1 4.21Å; I369-I374 HydrophobicContact CG1-CG1 4.02Å; I369-I374 HydrophobicContact CG2-CD1 3.87Å; H370-I374 PolarHBondContact O-N 3.31Å; I371-I374 WeakPolarHBondContact O-CB 3.29Å; I371-I374 PolarHBondContact O-N 3.31Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I374-K376 VanDerWaalsContact C-N 3.34Å; I374-K376 PolarHBondContact O-N 3.47Å; I374-E377 PolarHBondContact O-N 2.93Å; I374-L378 HydrophobicContact CG2-CD1 3.54Å; I374-L378 HydrophobicContact CG2-CG 4.02Å; I374-L378 WeakPolarHBondContact O-CB 3.35Å; I374-L378 WeakPolarHBondContact O-CG 3.44Å; I374-L378 PolarHBondContact O-N 3.36Å; I374-V385 HydrophobicContact CB-CG1 4.03Å; I374-V385 HydrophobicContact CG2-CG1 3.54Å; I374-V385 HydrophobicContact CG2-CG2 4.37Å; I374-L409 HydrophobicContact CD1-CD2 4.37Å |
| 375 | S | 92.9 | Very high | 91.2 | Very high | 18 Ų | 18 | 67.2 Ų | 67.2 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -44.6 | 176.9 | 162.8 | 0 | 0 | 0 | 0 | 112.5 | I371 F373 N379 I380 | I371-S375 PolarHBondContact O-N 2.7Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 3.04Å; S375-N379 WeakPolarHBondContact O-CA 3.41Å; S375-N379 PolarHBondContact O-N 3.34Å; S375-I380 WeakPolarHBondContact CB-O 3.25Å; S375-I380 PolarHBondContact O-N 3.32Å; S375-I380 PolarHBondContact OG-O 2.89Å |
| 376 | K | 90.1 | Very high | 91.2 | Very high | 174 Ų | 174 | 64.2 Ų | 64.2 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 176.8 | -72.7 | 179.5 | -179.1 | -177 | 0 | 112.7 | P372 F373 I374 | P372-K376 WeakPolarHBondContact O-CG 3.3Å; P372-K376 PolarHBondContact O-N 2.88Å; F373-K376 PolarHBondContact O-N 3.12Å; I374-K376 VanDerWaalsContact C-N 3.34Å; I374-K376 PolarHBondContact O-N 3.47Å |
| 377 | E | 87.8 | Confident | 91.2 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.5 | -37.3 | -178.7 | -162.1 | 68 | -165.5 | 0 | 0 | 112.4 | L362 F373 I374 | L362-E377 HydrophobicContact CD1-CG 3.98Å; L362-E377 HydrophobicContact CD2-CB 3.86Å; L362-E377 HydrophobicContact CD2-CG 3.81Å; F373-E377 PolarHBondContact O-N 3.41Å; F373-E377 VanDerWaalsContact O-N 3.1Å; I374-E377 PolarHBondContact O-N 2.93Å |
| 378 | L | 87.1 | Confident | 91.4 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -86.8 | -6.8 | 178.3 | -64.5 | -178.5 | 0 | 0 | 0 | 113.6 | I323 V358 L359 I374 I380 L388 | I323-L378 HydrophobicContact CD1-CB 4.5Å; I323-L378 HydrophobicContact CD1-CD2 3.46Å; I323-L378 VanDerWaalsContact CD1-CD2 3.46Å; V358-L378 HydrophobicContact CB-CD2 3.96Å; V358-L378 HydrophobicContact CG1-CD2 3.62Å; L359-L378 HydrophobicContact CB-CD1 4.33Å; L359-L378 HydrophobicContact CD1-CD1 4.33Å; I374-L378 HydrophobicContact CG2-CD1 3.54Å; I374-L378 HydrophobicContact CG2-CG 4.02Å; I374-L378 WeakPolarHBondContact O-CB 3.35Å; I374-L378 WeakPolarHBondContact O-CG 3.44Å; I374-L378 PolarHBondContact O-N 3.36Å; L378-I380 VanDerWaalsContact C-N 3.35Å; L378-I380 HydrophobicContact CB-CD1 4.22Å; L378-I380 HydrophobicContact CB-CG1 3.78Å; L378-I380 HydrophobicContact CD1-CD1 4.25Å; L378-I380 PolarHBondContact O-N 2.85Å; L378-L388 HydrophobicContact CD1-CD2 4.47Å |
| 379 | N | 86.3 | Confident | 91.4 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 54% | 0.535 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.7 | -177.3 | -167.5 | 45.6 | 0 | 0 | 0 | 114 | E327 S375 | E327-N379 PolarHBondContact OE2-ND2 3.31Å; S375-N379 WeakPolarHBondContact O-CA 3.41Å; S375-N379 PolarHBondContact O-N 3.34Å |
| 380 | I | 88.7 | Confident | 91.3 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -133.1 | 161.7 | 179 | 52.9 | 164.8 | 0 | 0 | 0 | 111.7 | S375 L378 D384 V385 | S375-I380 WeakPolarHBondContact CB-O 3.25Å; S375-I380 PolarHBondContact O-N 3.32Å; S375-I380 PolarHBondContact OG-O 2.89Å; L378-I380 VanDerWaalsContact C-N 3.35Å; L378-I380 HydrophobicContact CB-CD1 4.22Å; L378-I380 HydrophobicContact CB-CG1 3.78Å; L378-I380 HydrophobicContact CD1-CD1 4.25Å; L378-I380 PolarHBondContact O-N 2.85Å; I380-D384 HydrophobicContact CD1-CB 4.28Å; I380-V385 HydrophobicContact CD1-CB 4.38Å; I380-V385 HydrophobicContact CD1-CG2 3.52Å; I380-V385 HydrophobicContact CG1-CG2 3.56Å |
| 381 | D | 92.6 | Very high | 91.2 | Very high | 92 Ų | 92 | 55 Ų | 55 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | trans | -63.6 | 150.1 | 178.5 | -168.7 | -93.9 | 0 | 0 | 0 | 111.8 | C383 D384 V385 | D381-C383 PolarHBondContact O-N 3.38Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å; D381-C383 PolarHBondContact OD1-SG 3.06Å; D381-D384 PolarHBondContact O-N 2.95Å; D381-D384 VanDerWaalsContact O-N 3.1Å; D381-V385 WeakPolarHBondContact O-CG2 3.48Å; D381-V385 PolarHBondContact O-N 3.47Å | ||
| 382 | V | 91.8 | Very high | 91 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -36.1 | -179.9 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | I371 V385 E386 | I371-V382 HydrophobicContact CG2-CG1 3.84Å; V382-V385 PolarHBondContact O-N 3.42Å; V382-E386 PolarHBondContact O-N 2.94Å |
| 383 | C | 91.3 | Very high | 90.9 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 54% | 0.541 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | D381 E386 S387 | D381-C383 PolarHBondContact O-N 3.38Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å; D381-C383 PolarHBondContact OD1-SG 3.06Å; C383-E386 PolarHBondContact O-N 3.27Å; C383-S387 WeakPolarHBondContact O-CB 3.5Å; C383-S387 PolarHBondContact O-N 3.49Å; C383-S387 PolarHBondContact O-OG 3.34Å |
| 384 | D | 90.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 177.6 | -67.1 | -31.6 | 0 | 0 | 0 | 111.1 | I380 D381 S387 L388 | I380-D384 HydrophobicContact CD1-CB 4.28Å; D381-D384 PolarHBondContact O-N 2.95Å; D381-D384 VanDerWaalsContact O-N 3.1Å; D384-S387 PolarHBondContact O-N 2.97Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.36Å; D384-L388 PolarHBondContact O-N 3.48Å |
| 385 | V | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 171.9 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | I371 I374 I380 D381 V382 L388 L389 | I371-V385 HydrophobicContact CG2-CB 4.14Å; I371-V385 HydrophobicContact CG2-CG1 3.76Å; I374-V385 HydrophobicContact CB-CG1 4.03Å; I374-V385 HydrophobicContact CG2-CG1 3.54Å; I374-V385 HydrophobicContact CG2-CG2 4.37Å; I380-V385 HydrophobicContact CD1-CB 4.38Å; I380-V385 HydrophobicContact CD1-CG2 3.52Å; I380-V385 HydrophobicContact CG1-CG2 3.56Å; D381-V385 WeakPolarHBondContact O-CG2 3.48Å; D381-V385 PolarHBondContact O-N 3.47Å; V382-V385 PolarHBondContact O-N 3.42Å; V385-L388 PolarHBondContact O-N 3.41Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.3Å; V385-L389 WeakPolarHBondContact O-CB 3.27Å; V385-L389 VanDerWaalsContact O-CG 3.29Å; V385-L389 WeakPolarHBondContact O-CG 3.34Å; V385-L389 PolarHBondContact O-N 2.9Å |
| 386 | E | 91.9 | Very high | 90.4 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 179.1 | -171.3 | 173.8 | -176.9 | 0 | 0 | 110.9 | V382 C383 L388 L389 V390 I402 Q404 | V382-E386 PolarHBondContact O-N 2.94Å; C383-E386 PolarHBondContact O-N 3.27Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3.43Å; E386-L389 PolarHBondContact O-N 2.93Å; E386-V390 WeakPolarHBondContact O-CG2 3.49Å; E386-V390 PolarHBondContact O-N 3.39Å; E386-I402 HydrophobicContact CG-CG2 4.47Å; E386-Q404 VanDerWaalsContact OE1-CD 3.24Å; E386-Q404 WeakPolarHBondContact OE1-CG 3.5Å; E386-Q404 PolarHBondContact OE1-NE2 3.26Å; E386-Q404 PolarHBondContact OE2-NE2 3.32Å |
| 387 | S | 91.8 | Very high | 90.2 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | C383 D384 V390 Q391 | C383-S387 WeakPolarHBondContact O-CB 3.5Å; C383-S387 PolarHBondContact O-N 3.49Å; C383-S387 PolarHBondContact O-OG 3.34Å; D384-S387 PolarHBondContact O-N 2.97Å; S387-V390 PolarHBondContact O-N 2.9Å; S387-Q391 PolarHBondContact O-N 3.25Å; S387-Q391 VanDerWaalsContact O-N 3.07Å |
| 388 | L | 91.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.1 | -177 | 65.3 | 0 | 0 | 0 | 111.7 | R355 L359 L378 D384 V385 E386 Q391 C392 | R355-L388 HydrophobicContact CB-CD2 3.98Å; L359-L388 HydrophobicContact CD2-CD2 4.11Å; L359-L388 HydrophobicContact CD2-CG 4.35Å; L378-L388 HydrophobicContact CD1-CD2 4.47Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.36Å; D384-L388 PolarHBondContact O-N 3.48Å; V385-L388 PolarHBondContact O-N 3.41Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3.43Å; L388-Q391 PolarHBondContact O-N 3.04Å; L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.16Å; L388-C392 PolarHBondContact O-SG 3.19Å |
| 389 | L | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.8 | -76.7 | 169 | 0 | 0 | 0 | 111.6 | L359 I371 V385 E386 C392 I393 I398 I402 L409 | L359-L389 HydrophobicContact CD1-CD2 4.37Å; L359-L389 HydrophobicContact CD2-CD2 3.81Å; L359-L389 HydrophobicContact CD2-CG 4.39Å; I371-L389 HydrophobicContact CG1-CD1 4.49Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.3Å; V385-L389 WeakPolarHBondContact O-CB 3.27Å; V385-L389 VanDerWaalsContact O-CG 3.29Å; V385-L389 WeakPolarHBondContact O-CG 3.34Å; V385-L389 PolarHBondContact O-N 2.9Å; E386-L389 PolarHBondContact O-N 2.93Å; L389-C392 PolarHBondContact O-N 3.46Å; L389-I393 WeakPolarHBondContact O-CB 3.36Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.38Å; L389-I393 PolarHBondContact O-N 3.27Å; L389-I398 HydrophobicContact CD2-CD1 4.1Å; L389-I402 HydrophobicContact CB-CD1 3.68Å; L389-I402 HydrophobicContact CB-CG1 4.31Å; L389-L409 HydrophobicContact CD1-CD1 4.41Å; L389-L409 HydrophobicContact CD2-CD1 4.08Å; L389-L409 HydrophobicContact CD2-CD2 3.65Å; L389-L409 HydrophobicContact CD2-CG 4.46Å |
| 390 | V | 93.2 | Very high | 90.4 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.3 | E386 S387 C392 I393 L394 I402 | E386-V390 WeakPolarHBondContact O-CG2 3.49Å; E386-V390 PolarHBondContact O-N 3.39Å; S387-V390 PolarHBondContact O-N 2.9Å; V390-C392 PolarHBondContact O-N 3.45Å; V390-I393 PolarHBondContact O-N 3.5Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.37Å; V390-I402 HydrophobicContact CG2-CD1 3.67Å |
| 391 | Q | 90.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -47 | 177.9 | -174.2 | -179.9 | -15.8 | 0 | 0 | 111.2 | S387 L388 I393 L394 D395 | S387-Q391 PolarHBondContact O-N 3.25Å; S387-Q391 VanDerWaalsContact O-N 3.07Å; L388-Q391 PolarHBondContact O-N 3.04Å; Q391-I393 VanDerWaalsContact C-N 3.32Å; Q391-I393 PolarHBondContact O-N 3.11Å; Q391-L394 PolarHBondContact O-N 2.76Å; Q391-D395 WeakPolarHBondContact O-CB 3.46Å; Q391-D395 VanDerWaalsContact O-CG 3.31Å; Q391-D395 PolarHBondContact O-N 3.21Å |
| 392 | C | 90.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -34 | -178.8 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | L388 L389 V390 N396 T397 I398 | L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.16Å; L388-C392 PolarHBondContact O-SG 3.19Å; L389-C392 PolarHBondContact O-N 3.46Å; V390-C392 PolarHBondContact O-N 3.45Å; C392-N396 PolarHBondContact O-N 3.32Å; C392-T397 WeakPolarHBondContact CA-OG1 3.45Å; C392-T397 VanDerWaalsContact CB-OG1 3.32Å; C392-T397 WeakPolarHBondContact CB-OG1 3.08Å; C392-T397 PolarHBondContact O-N 3.22Å; C392-T397 PolarHBondContact O-OG1 3.41Å; C392-I398 HydrophobicContact CB-CB 4.18Å; C392-I398 HydrophobicContact CB-CD1 3.57Å; C392-I398 HydrophobicContact CB-CG1 3.84Å; C392-I398 PolarHBondContact O-N 3.02Å |
| 393 | I | 91.3 | Very high | 90.6 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 23% | 0.226 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71 | -42.7 | 175.8 | -68.5 | 164 | 0 | 0 | 0 | 110.4 | L389 V390 Q391 D395 N396 I398 I402 L409 | L389-I393 WeakPolarHBondContact O-CB 3.36Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.38Å; L389-I393 PolarHBondContact O-N 3.27Å; V390-I393 PolarHBondContact O-N 3.5Å; Q391-I393 VanDerWaalsContact C-N 3.32Å; Q391-I393 PolarHBondContact O-N 3.11Å; I393-D395 VanDerWaalsContact C-N 3.34Å; I393-N396 PolarHBondContact O-N 2.94Å; I393-N396 VanDerWaalsContact O-N 3.08Å; I393-I398 HydrophobicContact CG1-CB 4.35Å; I393-I398 HydrophobicContact CG1-CG2 4.31Å; I393-I402 HydrophobicContact CD1-CD1 3.92Å; I393-I402 HydrophobicContact CD1-CG1 3.73Å; I393-L409 HydrophobicContact CD1-CD1 4.37Å |
| 394 | L | 92.3 | Very high | 90.6 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 176.4 | -70.2 | 173.2 | 0 | 0 | 0 | 112 | V390 Q391 N396 | V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.37Å; Q391-L394 PolarHBondContact O-N 2.76Å; L394-N396 PolarHBondContact O-N 3.44Å; L394-N396 VanDerWaalsContact O-N 3.16Å; L394-N396 PolarHBondContact O-ND2 2.97Å |
| 395 | D | 89.6 | Confident | 90.6 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 0.7 | 175.7 | -68 | -17.9 | 0 | 0 | 0 | 112.9 | Q391 I393 T397 | Q391-D395 WeakPolarHBondContact O-CB 3.46Å; Q391-D395 VanDerWaalsContact O-CG 3.31Å; Q391-D395 PolarHBondContact O-N 3.21Å; I393-D395 VanDerWaalsContact C-N 3.34Å; D395-T397 HydrophobicContact CB-CG2 4.07Å; D395-T397 PolarHBondContact O-N 3.44Å; D395-T397 VanDerWaalsContact O-N 3.14Å |
| 396 | N | 86.3 | Confident | 90.5 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 20.8 | -176 | -61.4 | -75.1 | 0 | 0 | 0 | 114.4 | C392 I393 L394 H399 | C392-N396 PolarHBondContact O-N 3.32Å; I393-N396 PolarHBondContact O-N 2.94Å; I393-N396 VanDerWaalsContact O-N 3.08Å; L394-N396 PolarHBondContact O-N 3.44Å; L394-N396 VanDerWaalsContact O-N 3.16Å; L394-N396 PolarHBondContact O-ND2 2.97Å; N396-H399 PolarHBondContact O-CE1 3.02Å |
| 397 | T | 87.1 | Confident | 90.5 | Very high | 68 Ų | 68 | 70.6 Ų | 70.6 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -79.5 | -32.2 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | C392 D395 | C392-T397 WeakPolarHBondContact CA-OG1 3.45Å; C392-T397 VanDerWaalsContact CB-OG1 3.32Å; C392-T397 WeakPolarHBondContact CB-OG1 3.08Å; C392-T397 PolarHBondContact O-N 3.22Å; C392-T397 PolarHBondContact O-OG1 3.41Å; D395-T397 HydrophobicContact CB-CG2 4.07Å; D395-T397 PolarHBondContact O-N 3.44Å; D395-T397 VanDerWaalsContact O-N 3.14Å |
| 398 | I | 88.5 | Confident | 90.5 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -115.8 | 131.4 | 174.7 | -64 | 177.2 | 0 | 0 | 0 | 109.4 | L359 I360 I363 L389 C392 I393 L411 | L359-I398 HydrophobicContact CD2-CD1 3.63Å; L359-I398 HydrophobicContact CG-CD1 3.88Å; I360-I398 HydrophobicContact CG1-CG1 4.19Å; I363-I398 HydrophobicContact CD1-CB 4.35Å; I363-I398 HydrophobicContact CD1-CD1 3.83Å; I363-I398 HydrophobicContact CD1-CG1 3.79Å; I363-I398 HydrophobicContact CD1-CG2 3.73Å; L389-I398 HydrophobicContact CD2-CD1 4.1Å; C392-I398 HydrophobicContact CB-CB 4.18Å; C392-I398 HydrophobicContact CB-CD1 3.57Å; C392-I398 HydrophobicContact CB-CG1 3.84Å; C392-I398 PolarHBondContact O-N 3.02Å; I393-I398 HydrophobicContact CG1-CB 4.35Å; I393-I398 HydrophobicContact CG1-CG2 4.31Å; I398-L411 HydrophobicContact CG2-CD2 4.18Å |
| 399 | H | 87.7 | Confident | 90.6 | Very high | 104 Ų | 104 | 67 Ų | 67 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -103.2 | 100.2 | 175 | -60.1 | -47.5 | 0 | 0 | 0 | 110.3 | N396 D412 | N396-H399 PolarHBondContact O-CE1 3.02Å; H399-D412 PolarHBondContact O-N 3.14Å; H399-D412 VanDerWaalsContact O-N 3.13Å | ||
| 400 | G | 88.9 | Confident | 90.6 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -176.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E410 | G400-E410 CarbonylContact C-O 3.45Å; G400-E410 WeakPolarHBondContact CA-O 3.09Å |
| 401 | R | 90.8 | Very high | 90.3 | Very high | 169 Ų | 169 | 69.4 Ų | 69.4 | 64% | 0.638 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.2 | -179.8 | -58.1 | 176.4 | -166.7 | -173.6 | -0.9 | 109.6 | E410 D412 | R401-E410 PolarHBondContact N-O 3Å; R401-E410 PolarHBondContact O-N 3.1Å; R401-D412 IonicContact NE-OD1 3.19Å |
| 402 | I | 93.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.1 | 177.5 | -55.7 | 171.3 | 0 | 0 | 0 | 107.8 | I371 E386 L389 V390 I393 L409 | I371-I402 HydrophobicContact CD1-CG2 3.89Å; E386-I402 HydrophobicContact CG-CG2 4.47Å; L389-I402 HydrophobicContact CB-CD1 3.68Å; L389-I402 HydrophobicContact CB-CG1 4.31Å; V390-I402 HydrophobicContact CG2-CD1 3.67Å; I393-I402 HydrophobicContact CD1-CD1 3.92Å; I393-I402 HydrophobicContact CD1-CG1 3.73Å; I402-L409 HydrophobicContact CG1-CD1 4.01Å |
| 403 | D | 92.7 | Very high | 88.9 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 97.8 | 166.5 | -176.8 | -16.4 | 0 | 0 | 0 | 108.4 | V405 N406 Q407 L408 | D403-V405 VanDerWaalsContact C-N 3.3Å; D403-V405 PolarHBondContact O-N 2.9Å; D403-V405 PolarHBondContact OD1-N 3.42Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD2-ND2 3.12Å; D403-Q407 WeakPolarHBondContact O-CA 3.46Å; D403-Q407 PolarHBondContact O-N 3.36Å; D403-L408 HydrophobicContact CB-CD1 3.51Å; D403-L408 HydrophobicContact CB-CG 4.19Å; D403-L408 WeakPolarHBondContact CB-O 3.35Å; D403-L408 PolarHBondContact N-O 3.09Å; D403-L408 PolarHBondContact O-N 2.84Å; D403-L408 VanDerWaalsContact O-N 3.08Å |
| 404 | Q | 90.1 | Very high | 87.5 | Confident | 121 Ų | 121 | 82.4 Ų | 82.4 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.7 | -178.1 | -163.5 | 176.7 | 31.6 | 0 | 0 | 112.6 | E386 Q407 | E386-Q404 VanDerWaalsContact OE1-CD 3.24Å; E386-Q404 WeakPolarHBondContact OE1-CG 3.5Å; E386-Q404 PolarHBondContact OE1-NE2 3.26Å; E386-Q404 PolarHBondContact OE2-NE2 3.32Å; Q404-Q407 PolarHBondContact O-NE2 3.18Å |
| 405 | V | 91.4 | Very high | 86 | Confident | 130 Ų | 130 | 84.2 Ų | 84.2 | 79% | 0.788 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -46.7 | -178.7 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | D403 | D403-V405 VanDerWaalsContact C-N 3.3Å; D403-V405 PolarHBondContact O-N 2.9Å; D403-V405 PolarHBondContact OD1-N 3.42Å |
| 406 | N | 89.6 | Confident | 85 | Confident | 94 Ų | 94 | 90 Ų | 90 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 1.4 | -178.9 | -61.5 | -59.8 | 0 | 0 | 0 | 113.5 | D403 L408 | D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD2-ND2 3.12Å; N406-L408 HydrophobicContact CB-CD1 4.09Å; N406-L408 HydrophobicContact CB-CD2 3.44Å; N406-L408 VanDerWaalsContact CB-CD2 3.44Å; N406-L408 HydrophobicContact CB-CG 3.56Å; N406-L408 PolarHBondContact O-N 3.38Å |
| 407 | Q | 92 | Very high | 84.2 | Confident | 56 Ų | 56 | 86.7 Ų | 86.7 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 50.1 | 179.8 | -68.7 | -69.9 | -50.3 | 0 | 0 | 112.4 | I371 P372 D403 Q404 | I371-Q407 PolarHBondContact N-O 3.46Å; P372-Q407 HydrophobicContact CG-CB 4.49Å; D403-Q407 WeakPolarHBondContact O-CA 3.46Å; D403-Q407 PolarHBondContact O-N 3.36Å; Q404-Q407 PolarHBondContact O-NE2 3.18Å |
| 408 | L | 93.5 | Very high | 83.7 | Confident | 14 Ų | 14 | 85.5 Ų | 85.5 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.7 | -177.1 | 40.9 | 92.8 | 0 | 0 | 0 | 112.3 | I369 D403 N406 | I369-L408 CarbonylContact O-C 3.58Å; I369-L408 WeakPolarHBondContact O-CA 3.1Å; D403-L408 HydrophobicContact CB-CD1 3.51Å; D403-L408 HydrophobicContact CB-CG 4.19Å; D403-L408 WeakPolarHBondContact CB-O 3.35Å; D403-L408 PolarHBondContact N-O 3.09Å; D403-L408 PolarHBondContact O-N 2.84Å; D403-L408 VanDerWaalsContact O-N 3.08Å; N406-L408 HydrophobicContact CB-CD1 4.09Å; N406-L408 HydrophobicContact CB-CD2 3.44Å; N406-L408 VanDerWaalsContact CB-CD2 3.44Å; N406-L408 HydrophobicContact CB-CG 3.56Å; N406-L408 PolarHBondContact O-N 3.38Å |
| 409 | L | 92.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.1 | 173.4 | 178 | 74.2 | 0 | 0 | 0 | 108 | I363 R368 I369 I374 L389 I393 I402 L411 | I363-L409 HydrophobicContact CG2-CD2 4.06Å; R368-L409 WeakPolarHBondContact CA-O 3.1Å; I369-L409 HydrophobicContact CG2-CB 3.73Å; I369-L409 HydrophobicContact CG2-CD2 3.89Å; I369-L409 HydrophobicContact CG2-CG 4.24Å; I369-L409 PolarHBondContact N-O 3.14Å; I369-L409 PolarHBondContact O-N 2.97Å; I374-L409 HydrophobicContact CD1-CD2 4.37Å; L389-L409 HydrophobicContact CD1-CD1 4.41Å; L389-L409 HydrophobicContact CD2-CD1 4.08Å; L389-L409 HydrophobicContact CD2-CD2 3.65Å; L389-L409 HydrophobicContact CD2-CG 4.46Å; I393-L409 HydrophobicContact CD1-CD1 4.37Å; I402-L409 HydrophobicContact CG1-CD1 4.01Å; L409-L411 HydrophobicContact CD2-CD2 4.02Å; L409-L411 HydrophobicContact CG-CD2 4.23Å |
| 410 | E | 91.5 | Very high | 83.5 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118 | 176.8 | -171 | 165.8 | -144.2 | 0 | 0 | 109.2 | R368 G400 R401 | R368-E410 HydrophobicContact CG-CG 4.24Å; G400-E410 CarbonylContact C-O 3.45Å; G400-E410 WeakPolarHBondContact CA-O 3.09Å; R401-E410 PolarHBondContact N-O 3Å; R401-E410 PolarHBondContact O-N 3.1Å |
| 411 | L | 87.9 | Confident | 83.6 | Confident | 23 Ų | 23 | 98 Ų | 98 | 12% | 0.12 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 136.8 | -178.6 | -64.5 | 177.3 | 0 | 0 | 0 | 110.8 | I363 Y366 T367 I398 L409 Y413 | I363-L411 HydrophobicContact CB-CD1 3.95Å; I363-L411 HydrophobicContact CD1-CD2 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.37Å; I363-L411 VanDerWaalsContact O-CD1 3.27Å; I363-L411 WeakPolarHBondContact O-CD1 3.34Å; Y366-L411 WeakPolarHBondContact O-CD1 3.14Å; T367-L411 PolarHBondContact O-N 3.25Å; I398-L411 HydrophobicContact CG2-CD2 4.18Å; L409-L411 HydrophobicContact CD2-CD2 4.02Å; L409-L411 HydrophobicContact CG-CD2 4.23Å; L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 2.98Å |
| 412 | D | 79.1 | Confident | 83.6 | Confident | 73 Ų | 73 | 93.9 Ų | 93.9 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | trans | -76.9 | 73.8 | -177.5 | -82.6 | -30.1 | 0 | 0 | 0 | 111.1 | H399 R401 | H399-D412 PolarHBondContact O-N 3.14Å; H399-D412 VanDerWaalsContact O-N 3.13Å; R401-D412 IonicContact NE-OD1 3.19Å | ||
| 413 | Y | 70.7 | Confident | 83.6 | Confident | 169 Ų | 169 | 94.6 Ų | 94.6 | 66% | 0.663 | 48% | 0.483 | S | S | * | . | trans | -77.7 | -26.9 | 174.6 | -117.4 | -86.9 | 0 | 0 | 0 | 112.6 | T367 L411 K415 | T367-Y413 HydrophobicContact CG2-CD2 4.07Å; T367-Y413 HydrophobicContact CG2-CG 4.42Å; L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 2.98Å; Y413-K415 PolarHBondContact O-N 3.4Å | ||
| 414 | Q | 62.1 | Low | 83.7 | Confident | 169 Ų | 169 | 96.1 Ų | 96.1 | 79% | 0.79 | 49% | 0.491 | S | S | * | . | trans | -92.5 | 74 | -179.6 | -67.8 | -166.7 | -5.6 | 0 | 0 | 111.8 | R416 | Q414-R416 VanDerWaalsContact C-N 3.31Å; Q414-R416 PolarHBondContact O-N 2.84Å | ||
| 415 | K | 60.5 | Low | 83.9 | Confident | 166 Ų | 166 | 95 Ų | 95 | 72% | 0.722 | 49% | 0.489 | S | S | * | . | trans | -70.2 | 88.8 | 165.1 | -82.3 | -176.4 | 178.1 | 175.4 | 0 | 109.7 | Y413 G417 | Y413-K415 PolarHBondContact O-N 3.4Å; K415-G417 PolarHBondContact O-N 3.16Å | ||
| 416 | R | 69.2 | Low | 84.1 | Confident | 218 Ų | 218 | 96.2 Ų | 96.2 | 82% | 0.823 | 48% | 0.483 | S | S | * | . | trans | -55.6 | 127.8 | 153.9 | -67.7 | -176.2 | -176.9 | -177.1 | 1.3 | 106.3 | Q414 G418 | Q414-R416 VanDerWaalsContact C-N 3.31Å; Q414-R416 PolarHBondContact O-N 2.84Å; R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.42Å | ||
| 417 | G | 68.5 | Low | 84.4 | Confident | 47 Ų | 47 | 99.6 Ų | 99.6 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | trans | -60.9 | 81.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K415 A419 R420 Y421 | K415-G417 PolarHBondContact O-N 3.16Å; G417-A419 VanDerWaalsContact C-N 3.26Å; G417-A419 PolarHBondContact O-N 3.06Å; G417-R420 PolarHBondContact O-N 2.94Å; G417-Y421 WeakPolarHBondContact O-CD2 3.43Å | ||
| 418 | G | 77.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 100.9 Ų | 100.9 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -31.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R416 R420 Y421 T422 | R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.42Å; G418-R420 VanDerWaalsContact C-N 3.3Å; G418-R420 PolarHBondContact O-N 3.42Å; G418-Y421 PolarHBondContact O-N 3.15Å; G418-T422 PolarHBondContact O-N 3.08Å; G418-T422 PolarHBondContact O-OG1 3.02Å |
| 419 | A | 83 | Confident | 84.8 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G417 T422 A423 | G417-A419 VanDerWaalsContact C-N 3.26Å; G417-A419 PolarHBondContact O-N 3.06Å; A419-T422 WeakPolarHBondContact CA-OG1 3.36Å; A419-T422 PolarHBondContact O-OG1 2.92Å; A419-A423 WeakPolarHBondContact O-CB 3.4Å; A419-A423 PolarHBondContact O-N 3.26Å; A419-A423 VanDerWaalsContact O-N 3.12Å |
| 420 | R | 88.9 | Confident | 85 | Confident | 165 Ų | 165 | 110.9 Ų | 110.9 | 62% | 0.623 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.7 | -41.8 | 178.9 | -173.4 | 176.8 | 67.4 | -172 | 1.8 | 111.4 | G417 G418 A423 L424 | G417-R420 PolarHBondContact O-N 2.94Å; G418-R420 VanDerWaalsContact C-N 3.3Å; G418-R420 PolarHBondContact O-N 3.42Å; R420-A423 PolarHBondContact O-N 2.82Å; R420-L424 HydrophobicContact CG-CD1 4.38Å; R420-L424 WeakPolarHBondContact O-CG 3.42Å; R420-L424 PolarHBondContact O-N 3.19Å; R420-L424 VanDerWaalsContact O-N 3.1Å |
| 421 | Y | 90.5 | Very high | 85.2 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -40.9 | 179.6 | -60.1 | -68.8 | 0 | 0 | 0 | 111.4 | G417 G418 A423 L424 D425 | G417-Y421 WeakPolarHBondContact O-CD2 3.43Å; G418-Y421 PolarHBondContact O-N 3.15Å; Y421-A423 VanDerWaalsContact C-N 3.32Å; Y421-A423 PolarHBondContact O-N 3.01Å; Y421-L424 PolarHBondContact O-N 2.97Å; Y421-D425 WeakPolarHBondContact O-CB 3.43Å; Y421-D425 PolarHBondContact O-N 3.42Å |
| 422 | T | 91.6 | Very high | 85.6 | Confident | 81 Ų | 81 | 113.6 Ų | 113.6 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -36 | 174.7 | 21 | 0 | 0 | 0 | 0 | 112.7 | G418 A419 K426 | G418-T422 PolarHBondContact O-N 3.08Å; G418-T422 PolarHBondContact O-OG1 3.02Å; A419-T422 WeakPolarHBondContact CA-OG1 3.36Å; A419-T422 PolarHBondContact O-OG1 2.92Å; T422-K426 WeakPolarHBondContact O-CB 3.15Å; T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.03Å |
| 423 | A | 92.7 | Very high | 86.4 | Confident | 60 Ų | 60 | 112.7 Ų | 112.7 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A419 R420 Y421 D425 K426 W427 | A419-A423 WeakPolarHBondContact O-CB 3.4Å; A419-A423 PolarHBondContact O-N 3.26Å; A419-A423 VanDerWaalsContact O-N 3.12Å; R420-A423 PolarHBondContact O-N 2.82Å; Y421-A423 VanDerWaalsContact C-N 3.32Å; Y421-A423 PolarHBondContact O-N 3.01Å; A423-D425 VanDerWaalsContact C-N 3.33Å; A423-D425 PolarHBondContact O-N 3.14Å; A423-K426 PolarHBondContact O-N 3.02Å; A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 3.2Å |
| 424 | L | 94.8 | Very high | 87.5 | Confident | 81 Ų | 81 | 109.3 Ų | 109.3 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 176.2 | -73.8 | 168.4 | 0 | 0 | 0 | 111.9 | R420 Y421 W427 T428 | R420-L424 HydrophobicContact CG-CD1 4.38Å; R420-L424 WeakPolarHBondContact O-CG 3.42Å; R420-L424 PolarHBondContact O-N 3.19Å; R420-L424 VanDerWaalsContact O-N 3.1Å; Y421-L424 PolarHBondContact O-N 2.97Å; L424-W427 HydrophobicContact CD2-CE3 4.33Å; L424-W427 PolarHBondContact O-N 3.08Å; L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.93Å |
| 425 | D | 94.6 | Very high | 89.1 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -42.6 | -179.7 | -154.5 | 29 | 0 | 0 | 0 | 111.4 | Y421 A423 W427 T428 N429 | Y421-D425 WeakPolarHBondContact O-CB 3.43Å; Y421-D425 PolarHBondContact O-N 3.42Å; A423-D425 VanDerWaalsContact C-N 3.33Å; A423-D425 PolarHBondContact O-N 3.14Å; D425-W427 VanDerWaalsContact C-N 3.34Å; D425-W427 PolarHBondContact O-N 2.86Å; D425-T428 PolarHBondContact O-N 2.96Å; D425-N429 WeakPolarHBondContact O-CB 3.02Å; D425-N429 PolarHBondContact O-N 3.5Å; D425-N429 PolarHBondContact O-ND2 3.27Å; D425-N429 VanDerWaalsContact O-ND2 3.13Å |
| 426 | K | 95.6 | Very high | 90.7 | Very high | 155 Ų | 155 | 103.8 Ų | 103.8 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58 | -45.7 | 171 | -79.7 | -175.6 | 179.1 | -176 | 0 | 111.9 | T422 A423 N429 Q430 | T422-K426 WeakPolarHBondContact O-CB 3.15Å; T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.03Å; A423-K426 PolarHBondContact O-N 3.02Å; K426-N429 PolarHBondContact O-N 3.12Å; K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.3Å; K426-Q430 VanDerWaalsContact O-N 3.09Å |
| 427 | W | 96.3 | Very high | 91.9 | Very high | 165 Ų | 165 | 95.8 Ų | 95.8 | 63% | 0.625 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 179.7 | -173.7 | 21.9 | 0 | 0 | 0 | 111.7 | A423 L424 D425 N429 Q430 L431 | A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 3.2Å; L424-W427 HydrophobicContact CD2-CE3 4.33Å; L424-W427 PolarHBondContact O-N 3.08Å; D425-W427 VanDerWaalsContact C-N 3.34Å; D425-W427 PolarHBondContact O-N 2.86Å; W427-N429 VanDerWaalsContact C-N 3.35Å; W427-N429 PolarHBondContact O-N 3.34Å; W427-Q430 PolarHBondContact O-N 2.7Å; W427-L431 HydrophobicContact CD2-CD1 4.36Å; W427-L431 HydrophobicContact CG-CD1 4.36Å; W427-L431 HydrophobicContact CZ2-CD1 4.4Å; W427-L431 WeakPolarHBondContact O-CG 3.37Å; W427-L431 PolarHBondContact O-N 2.89Å |
| 428 | T | 97.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | L424 D425 Q430 L431 N432 | L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.93Å; D425-T428 PolarHBondContact O-N 2.96Å; T428-Q430 PolarHBondContact O-N 3Å; T428-L431 PolarHBondContact O-N 3.23Å; T428-N432 WeakPolarHBondContact O-CB 3.37Å; T428-N432 PolarHBondContact O-N 3.39Å |
| 429 | N | 96.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.4 | -74.6 | -36 | 0 | 0 | 0 | 112.6 | D425 K426 W427 N432 S433 | D425-N429 WeakPolarHBondContact O-CB 3.02Å; D425-N429 PolarHBondContact O-N 3.5Å; D425-N429 PolarHBondContact O-ND2 3.27Å; D425-N429 VanDerWaalsContact O-ND2 3.13Å; K426-N429 PolarHBondContact O-N 3.12Å; W427-N429 VanDerWaalsContact C-N 3.35Å; W427-N429 PolarHBondContact O-N 3.34Å; N429-N432 PolarHBondContact O-N 2.97Å; N429-S433 PolarHBondContact O-N 3.49Å; N429-S433 PolarHBondContact O-OG 3.19Å |
| 430 | Q | 96.3 | Very high | 94.3 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | 176.5 | -69 | -64.5 | -24.3 | 0 | 0 | 112.8 | K426 W427 T428 N432 S433 L434 | K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.3Å; K426-Q430 VanDerWaalsContact O-N 3.09Å; W427-Q430 PolarHBondContact O-N 2.7Å; T428-Q430 PolarHBondContact O-N 3Å; Q430-N432 VanDerWaalsContact C-N 3.33Å; Q430-S433 PolarHBondContact O-OG 3.45Å; Q430-L434 VanDerWaalsContact O-CB 3.3Å; Q430-L434 WeakPolarHBondContact O-CB 3.33Å; Q430-L434 PolarHBondContact O-N 3.17Å |
| 431 | L | 96.3 | Very high | 94.2 | Very high | 89 Ų | 89 | 101 Ų | 101 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 173.6 | -75.2 | 173.7 | 0 | 0 | 0 | 111.7 | W427 T428 L434 N435 | W427-L431 HydrophobicContact CD2-CD1 4.36Å; W427-L431 HydrophobicContact CG-CD1 4.36Å; W427-L431 HydrophobicContact CZ2-CD1 4.4Å; W427-L431 WeakPolarHBondContact O-CG 3.37Å; W427-L431 PolarHBondContact O-N 2.89Å; T428-L431 PolarHBondContact O-N 3.23Å; L431-L434 PolarHBondContact O-N 3.44Å; L431-N435 WeakPolarHBondContact O-CB 3.37Å; L431-N435 PolarHBondContact O-N 3.21Å |
| 432 | N | 96.4 | Very high | 93.5 | Very high | 85 Ų | 85 | 102.4 Ų | 102.4 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 178.4 | -163.1 | 14.1 | 0 | 0 | 0 | 111.8 | T428 N429 Q430 N435 Q436 | T428-N432 WeakPolarHBondContact O-CB 3.37Å; T428-N432 PolarHBondContact O-N 3.39Å; N429-N432 PolarHBondContact O-N 2.97Å; Q430-N432 VanDerWaalsContact C-N 3.33Å; N432-N435 PolarHBondContact O-N 2.86Å; N432-Q436 WeakPolarHBondContact O-CG 3.19Å; N432-Q436 PolarHBondContact O-N 3.46Å |
| 433 | S | 95.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 106.2 Ų | 106.2 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.1 | -40.1 | 175 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | N429 Q430 Q436 A437 | N429-S433 PolarHBondContact O-N 3.49Å; N429-S433 PolarHBondContact O-OG 3.19Å; Q430-S433 PolarHBondContact O-OG 3.45Å; S433-Q436 PolarHBondContact O-N 2.94Å; S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.09Å |
| 434 | L | 95 | Very high | 91.7 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.3 | -44.7 | 174.9 | -177.7 | 66.7 | 0 | 0 | 0 | 111.6 | Q430 L431 A437 I438 | Q430-L434 VanDerWaalsContact O-CB 3.3Å; Q430-L434 WeakPolarHBondContact O-CB 3.33Å; Q430-L434 PolarHBondContact O-N 3.17Å; L431-L434 PolarHBondContact O-N 3.44Å; L434-A437 PolarHBondContact O-N 3.07Å; L434-I438 HydrophobicContact CD1-CD1 4.37Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CG1 3.23Å; L434-I438 PolarHBondContact O-N 3.36Å |
| 435 | N | 95 | Very high | 91.5 | Very high | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.7 | -46.5 | 177.4 | -175.1 | 30.2 | 0 | 0 | 0 | 111.6 | L431 N432 A437 I438 V439 | L431-N435 WeakPolarHBondContact O-CB 3.37Å; L431-N435 PolarHBondContact O-N 3.21Å; N432-N435 PolarHBondContact O-N 2.86Å; N435-A437 VanDerWaalsContact C-N 3.31Å; N435-A437 PolarHBondContact O-N 2.71Å; N435-I438 PolarHBondContact O-N 3.04Å; N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 3Å |
| 436 | Q | 94.3 | Very high | 91.4 | Very high | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.8 | -42.2 | 175.3 | -72.3 | 178.3 | -5.5 | 0 | 0 | 112.2 | N432 S433 I438 V439 S440 | N432-Q436 WeakPolarHBondContact O-CG 3.19Å; N432-Q436 PolarHBondContact O-N 3.46Å; S433-Q436 PolarHBondContact O-N 2.94Å; Q436-I438 PolarHBondContact O-N 3.05Å; Q436-V439 PolarHBondContact O-N 3.19Å; Q436-S440 WeakPolarHBondContact O-CB 3.31Å; Q436-S440 PolarHBondContact O-N 2.87Å; Q436-S440 PolarHBondContact O-OG 2.9Å |
| 437 | A | 93.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S433 L434 N435 S440 K441 | S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.09Å; L434-A437 PolarHBondContact O-N 3.07Å; N435-A437 VanDerWaalsContact C-N 3.31Å; N435-A437 PolarHBondContact O-N 2.71Å; A437-S440 PolarHBondContact O-N 3.25Å; A437-S440 PolarHBondContact O-OG 3.1Å; A437-K441 PolarHBondContact O-N 3.02Å |
| 438 | I | 93.4 | Very high | 90.8 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -46.4 | 176.9 | -68.2 | 166.7 | 0 | 0 | 0 | 110.8 | L434 N435 Q436 S440 K441 L442 | L434-I438 HydrophobicContact CD1-CD1 4.37Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CG1 3.23Å; L434-I438 PolarHBondContact O-N 3.36Å; N435-I438 PolarHBondContact O-N 3.04Å; Q436-I438 PolarHBondContact O-N 3.05Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 2.86Å; I438-K441 PolarHBondContact O-N 2.92Å; I438-K441 VanDerWaalsContact O-N 3.12Å; I438-L442 PolarHBondContact O-N 3.3Å |
| 439 | V | 94.2 | Very high | 90.4 | Very high | 81 Ų | 81 | 106 Ų | 106 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.8 | -40.1 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | N435 Q436 K441 L442 T443 | N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 3Å; Q436-V439 PolarHBondContact O-N 3.19Å; V439-K441 PolarHBondContact O-N 2.97Å; V439-K441 VanDerWaalsContact O-N 3.16Å; V439-L442 PolarHBondContact O-N 2.93Å; V439-L442 VanDerWaalsContact O-N 3.08Å; V439-T443 PolarHBondContact O-N 2.91Å; V439-T443 PolarHBondContact O-OG1 2.91Å |
| 440 | S | 91.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 107.1 Ų | 107.1 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.5 | -14.4 | 177.9 | 74 | 0 | 0 | 0 | 0 | 115.1 | Q436 A437 I438 | Q436-S440 WeakPolarHBondContact O-CB 3.31Å; Q436-S440 PolarHBondContact O-N 2.87Å; Q436-S440 PolarHBondContact O-OG 2.9Å; A437-S440 PolarHBondContact O-N 3.25Å; A437-S440 PolarHBondContact O-OG 3.1Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 2.86Å |
| 441 | K | 87.8 | Confident | 89.4 | Confident | 189 Ų | 189 | 105 Ų | 105 | 82% | 0.822 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -94.8 | -15.1 | 174.2 | -71.9 | -157.7 | 176.1 | -168.4 | 0 | 113.7 | A437 I438 V439 | A437-K441 PolarHBondContact O-N 3.02Å; I438-K441 PolarHBondContact O-N 2.92Å; I438-K441 VanDerWaalsContact O-N 3.12Å; V439-K441 PolarHBondContact O-N 2.97Å; V439-K441 VanDerWaalsContact O-N 3.16Å |
| 442 | L | 75.4 | Confident | 88.9 | Confident | 162 Ų | 162 | 106.3 Ų | 106.3 | 85% | 0.848 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -94.5 | -16.9 | 180 | -147.6 | 86 | 0 | 0 | 0 | 112.3 | I438 V439 | I438-L442 PolarHBondContact O-N 3.3Å; V439-L442 PolarHBondContact O-N 2.93Å; V439-L442 VanDerWaalsContact O-N 3.08Å |
| 443 | T | 54.8 | Low | 88.2 | Confident | 161 Ų | 161 | 108.3 Ų | 108.3 | 99% | 0.988 | 60% | 0.599 | S | S | * | * | trans | -98.2 | 0 | 165.4 | 31.6 | 0 | 0 | 0 | 0 | 108.7 | V439 | V439-T443 PolarHBondContact O-N 2.91Å; V439-T443 PolarHBondContact O-OG1 2.91Å |
Retrieved 443 of 443 residues in 134.6 ms
(Link to these results)