| 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 | 33.3 | Very low | 34.5 | Very low | 251 Ų | 251 | 152.8 Ų | 152.8 | 100% | 1.236 | 80% | 0.795 | S | S | * | * | 0 | 82.9 | 0 | -77.2 | 174.2 | 138.1 | 0 | 0 | 108.4 | |||||
| 2 | T | 33.4 | Very low | 34.3 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -99.2 | 113.2 | 173.1 | 26.4 | 0 | 0 | 0 | 0 | 107.3 | I4 | T2-I4 PolarHBondContact O-N 3.43Å; T2-I4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | N | 35.8 | Very low | 33.9 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 96.2 | -179.2 | -168.5 | -5.4 | 0 | 0 | 0 | 108.2 | S5 | N3-S5 PolarHBondContact O-N 3.1Å; N3-S5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | I | 35.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -79.2 | 93.3 | 176.1 | -55.8 | 172.5 | 0 | 0 | 0 | 106.9 | T2 T6 | T2-I4 PolarHBondContact O-N 3.43Å; T2-I4 VanDerWaalsContact O-N 3.14Å; I4-T6 HydrophobicContact CG2-CG2 3.92Å; I4-T6 PolarHBondContact O-N 3.36Å; I4-T6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | S | 37.3 | Very low | 33.3 | Very low | 95 Ų | 95 | 157.4 Ų | 157.4 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -73.5 | 92.5 | 169.1 | -168.2 | 0 | 0 | 0 | 0 | 108.3 | N3 R7 | N3-S5 PolarHBondContact O-N 3.1Å; N3-S5 VanDerWaalsContact O-N 3.1Å; S5-R7 PolarHBondContact O-N 3.45Å | ||
| 6 | T | 37 | Very low | 32.9 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 77.6 | 169.2 | 55 | 0 | 0 | 0 | 0 | 108.5 | I4 | I4-T6 HydrophobicContact CG2-CG2 3.92Å; I4-T6 PolarHBondContact O-N 3.36Å; I4-T6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | R | 31.6 | Very low | 32.5 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | trans | -95.4 | 96.9 | 172.9 | -153.6 | 171.3 | 172.1 | 175.3 | -7.6 | 107.3 | S5 E9 | S5-R7 PolarHBondContact O-N 3.45Å; R7-E9 HydrophobicContact CG-CG 4.26Å; R7-E9 IonicContact CZ-OE1 2.97Å; R7-E9 VanDerWaalsContact CZ-OE1 3.28Å; R7-E9 IonicContact NE-OE1 3.16Å; R7-E9 PolarHBondContact NE-OE1 2.83Å; R7-E9 IonicContact NH2-OE1 2.73Å; R7-E9 PolarHBondContact NH2-OE1 3.23Å; R7-E9 PolarHBondContact O-N 3.3Å | ||
| 8 | S | 34.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -70.9 | 89.6 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | E | 32.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 51% | 0.509 | 77% | 0.772 | S | S | . | * | trans | -130.2 | 114.3 | 172.4 | -67.1 | -170.5 | -152.5 | 0 | 0 | 107.8 | R7 | R7-E9 HydrophobicContact CG-CG 4.26Å; R7-E9 IonicContact CZ-OE1 2.97Å; R7-E9 VanDerWaalsContact CZ-OE1 3.28Å; R7-E9 IonicContact NE-OE1 3.16Å; R7-E9 PolarHBondContact NE-OE1 2.83Å; R7-E9 IonicContact NH2-OE1 2.73Å; R7-E9 PolarHBondContact NH2-OE1 3.23Å; R7-E9 PolarHBondContact O-N 3.3Å | ||
| 10 | Y | 34.8 | Very low | 31.8 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 71 | 86.6 | 162.9 | -53 | -78.4 | 0 | 0 | 0 | 119.5 | E12 | Y10-E12 PolarHBondContact O-N 3.16Å; Y10-E12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | L | 32.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 78 | 135.8 | -95.8 | 160 | 0 | 0 | 0 | 107.1 | Y13 | L11-Y13 PolarHBondContact O-N 3.2Š| ||
| 12 | E | 32.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | trans | -62 | 117.7 | 161.6 | -93.2 | -165.1 | 162.9 | 0 | 0 | 107.9 | Y10 Y14 | Y10-E12 PolarHBondContact O-N 3.16Å; Y10-E12 VanDerWaalsContact O-N 3.13Å; E12-Y14 HydrophobicContact CB-CE2 4.25Å; E12-Y14 WeakPolarHBondContact O-CD2 3.42Å; E12-Y14 PolarHBondContact O-N 3.41Å | ||
| 13 | Y | 29 | Very low | 30.9 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -46.6 | 104.4 | 168.6 | -96.3 | -109.2 | 0 | 0 | 0 | 111 | L11 F15 | L11-Y13 PolarHBondContact O-N 3.2Å; Y13-F15 HydrophobicContact CD1-CD2 4.4Å | ||
| 14 | Y | 30.9 | Very low | 30.6 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | trans | -106.7 | 71.1 | 159.2 | -78.7 | -86.7 | 0 | 0 | 0 | 109.3 | E12 | E12-Y14 HydrophobicContact CB-CE2 4.25Å; E12-Y14 WeakPolarHBondContact O-CD2 3.42Å; E12-Y14 PolarHBondContact O-N 3.41Å | ||
| 15 | F | 27.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | trans | -95.8 | 70 | 156.3 | -92.3 | -82.8 | 0 | 0 | 0 | 108.3 | Y13 L17 | Y13-F15 HydrophobicContact CD1-CD2 4.4Å; F15-L17 HydrophobicContact CD1-CD1 4.23Å; F15-L17 PolarHBondContact O-N 2.84Å | ||
| 16 | N | 27 | Very low | 29.9 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -96.1 | 83.6 | 165.1 | -75.1 | -33.8 | 0 | 0 | 0 | 108.2 | ||||
| 17 | L | 26.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 149 Ų | 149 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -66.2 | 122.6 | 148.2 | -78.1 | 99 | 0 | 0 | 0 | 107 | F15 | F15-L17 HydrophobicContact CD1-CD1 4.23Å; F15-L17 PolarHBondContact O-N 2.84Å | ||
| 18 | S | 26.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 137.2 | 115.8 | 148.2 | -63.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | A | 27.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 152.2 Ų | 152.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 138.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 20 | P | 29.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -83.6 | 146.3 | -171.9 | 33.2 | -32.7 | 0 | 0 | 0 | 113.6 | ||||
| 21 | S | 25.1 | Very low | 29.4 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 73.8 | 102.5 | 158.2 | 73.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 22 | A | 28.5 | Very low | 29.5 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | -165.5 | 117.5 | 127.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R24 | A22-R24 PolarHBondContact O-N 2.91Å; A22-R24 VanDerWaalsContact O-N 3.09Å | |||
| 23 | H | 26.2 | Very low | 29.7 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -54.6 | 110.8 | 170.4 | -75.3 | -69.3 | 0 | 0 | 0 | 110.9 | ||||
| 24 | R | 29.2 | Very low | 30.1 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -118.1 | 102.6 | 157.3 | -90.2 | -169.3 | -179.7 | -175.9 | 2.8 | 109.5 | A22 Q26 | A22-R24 PolarHBondContact O-N 2.91Å; A22-R24 VanDerWaalsContact O-N 3.09Å; R24-Q26 PolarHBondContact O-N 2.73Å | ||
| 25 | T | 26.7 | Very low | 30.3 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -60.6 | 111 | 158.9 | -34.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 26 | Q | 31.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 127.6 | 169.7 | -143.9 | 164.4 | 14.4 | 0 | 0 | 109.3 | R24 | R24-Q26 PolarHBondContact O-N 2.73Š| ||
| 27 | A | 29.5 | Very low | 31.5 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -66.3 | 145.1 | -161.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L29 | A27-L29 PolarHBondContact O-N 3.27Š| ||
| 28 | F | 30.1 | Very low | 32.2 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -37.4 | 104.3 | 161.2 | -92.5 | -102.7 | 0 | 0 | 0 | 111.5 | S30 | F28-S30 PolarHBondContact O-N 2.94Š| ||
| 29 | L | 35 | Very low | 32.6 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 105.6 | 156.4 | -78.7 | 167.7 | 0 | 0 | 0 | 106.4 | A27 | A27-L29 PolarHBondContact O-N 3.27Š| ||
| 30 | S | 33.9 | Very low | 33 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -53.1 | 137.1 | 175.4 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | F28 K32 | F28-S30 PolarHBondContact O-N 2.94Å; S30-K32 PolarHBondContact O-N 2.94Å | ||
| 31 | D | 33.3 | Very low | 33.3 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -24.9 | 86.5 | 164.3 | -59.7 | -45.4 | 0 | 0 | 0 | 113.8 | ||||
| 32 | K | 33.4 | Very low | 33.6 | Very low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -92.6 | 95.6 | 154.7 | -118.7 | -179.5 | 179.7 | -179.4 | 0 | 105.4 | S30 V34 | S30-K32 PolarHBondContact O-N 2.94Å; K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 WeakPolarHBondContact O-CG2 3.43Å; K32-V34 PolarHBondContact O-N 3.38Å | ||
| 33 | E | 36.6 | Very low | 33.6 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -52.5 | 94.2 | 170.2 | -163 | 174.2 | -167.1 | 0 | 0 | 108.5 | N35 | E33-N35 PolarHBondContact O-N 3.05Š| ||
| 34 | V | 37.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -75 | 96.4 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | K32 T36 | K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 WeakPolarHBondContact O-CG2 3.43Å; K32-V34 PolarHBondContact O-N 3.38Å; V34-T36 HydrophobicContact CG1-CG2 4.27Å; V34-T36 PolarHBondContact O-N 3.09Å | ||
| 35 | N | 35.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 56% | 0.556 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 102.6 | 170.8 | 179.8 | 0.4 | 0 | 0 | 0 | 109.2 | E33 N37 | E33-N35 PolarHBondContact O-N 3.05Å; N35-N37 PolarHBondContact O-N 3.16Å; N35-N37 WeakPolarHBondContact OD1-CB 3.25Å; N35-N37 PolarHBondContact OD1-N 3.12Å | ||
| 36 | T | 40.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 5.3 | -179.8 | 49.7 | 0 | 0 | 0 | 0 | 114 | V34 N38 | V34-T36 HydrophobicContact CG1-CG2 4.27Å; V34-T36 PolarHBondContact O-N 3.09Å; T36-N38 VanDerWaalsContact C-N 3.32Å; T36-N38 PolarHBondContact O-N 2.85Å |
| 37 | N | 40 | Very low | 33.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 4.9 | 178.6 | -71.4 | -53.6 | 0 | 0 | 0 | 115 | N35 | N35-N37 PolarHBondContact O-N 3.16Å; N35-N37 WeakPolarHBondContact OD1-CB 3.25Å; N35-N37 PolarHBondContact OD1-N 3.12Å |
| 38 | N | 39.7 | Very low | 34 | Very low | 133 Ų | 133 | 149 Ų | 149 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -102.5 | 89.7 | 174 | -72.9 | 21.9 | 0 | 0 | 0 | 109.6 | T36 | T36-N38 VanDerWaalsContact C-N 3.32Å; T36-N38 PolarHBondContact O-N 2.85Å | ||
| 39 | A | 35.7 | Very low | 34.1 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 140.3 | 159 | 0 | 0 | 0 | 0 | 0 | 109 | V41 | A39-V41 PolarHBondContact O-N 2.98Å; A39-V41 VanDerWaalsContact O-N 3.13Å | ||
| 40 | P | 36.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -62.9 | 117.4 | -175.6 | 23.5 | -31.6 | 0 | 0 | 0 | 110.6 | F42 | P40-F42 PolarHBondContact O-N 3.37Š| ||
| 41 | V | 34.2 | Very low | 33.4 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 101.1 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | A39 C43 | A39-V41 PolarHBondContact O-N 2.98Å; A39-V41 VanDerWaalsContact O-N 3.13Å; V41-C43 PolarHBondContact O-N 3.04Å | ||
| 42 | F | 31.6 | Very low | 33 | Very low | 178 Ų | 178 | 149 Ų | 149 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -61.2 | 118.7 | 166.2 | -70.7 | -83.6 | 0 | 0 | 0 | 108.7 | P40 L44 | P40-F42 PolarHBondContact O-N 3.37Å; F42-L44 PolarHBondContact O-N 2.64Å | ||
| 43 | C | 28.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 148 Ų | 148 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -68.4 | 101.3 | 169.8 | -76 | 0 | 0 | 0 | 0 | 107.9 | V41 E45 | V41-C43 PolarHBondContact O-N 3.04Å; C43-E45 PolarHBondContact O-N 3.07Å; C43-E45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | L | 31.6 | Very low | 32.6 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -66.1 | 110.3 | 169.3 | -133.6 | 92.7 | 0 | 0 | 0 | 108 | F42 R46 | F42-L44 PolarHBondContact O-N 2.64Å; L44-R46 PolarHBondContact O-N 2.93Å | ||
| 45 | E | 30.9 | Very low | 32.6 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -60.3 | 121.8 | 175.4 | -155.2 | 179.7 | -161 | 0 | 0 | 109.1 | C43 K47 | C43-E45 PolarHBondContact O-N 3.07Å; C43-E45 VanDerWaalsContact O-N 3.08Å; E45-K47 PolarHBondContact O-N 3.46Å | ||
| 46 | R | 27.8 | Very low | 32 | Very low | 215 Ų | 215 | 146 Ų | 146 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 100.2 | -171.4 | -171.1 | -169 | -70.5 | 148.8 | -4.5 | 110.6 | L44 S48 | L44-R46 PolarHBondContact O-N 2.93Å; R46-S48 PolarHBondContact O-N 2.89Å; R46-S48 VanDerWaalsContact O-N 3.16Å | ||
| 47 | K | 29.3 | Very low | 31.5 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -81.7 | 73.9 | 155.4 | -95.7 | 167 | 177.2 | 167.7 | 0 | 109.2 | E45 H49 | E45-K47 PolarHBondContact O-N 3.46Å; K47-H49 PolarHBondContact O-N 2.79Å | ||
| 48 | S | 33.2 | Very low | 30.9 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 110.4 | 165.8 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | R46 S50 | R46-S48 PolarHBondContact O-N 2.89Å; R46-S48 VanDerWaalsContact O-N 3.16Å; S48-S50 PolarHBondContact O-N 3.26Å; S48-S50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | H | 30.9 | Very low | 30.6 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -58.6 | 111.3 | 170.1 | -71.7 | -77.9 | 0 | 0 | 0 | 110 | K47 | K47-H49 PolarHBondContact O-N 2.79Š| ||
| 50 | S | 25.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 131 | 170 | 74.1 | 0 | 0 | 0 | 0 | 109.8 | S48 | S48-S50 PolarHBondContact O-N 3.26Å; S48-S50 VanDerWaalsContact O-N 3.13Å | ||
| 51 | S | 29.5 | Very low | 29.8 | Very low | 106 Ų | 106 | 157 Ų | 157 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 110.5 | 146.3 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | R | 25.6 | Very low | 29.9 | Very low | 236 Ų | 236 | 157 Ų | 157 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | 65.3 | 113.3 | 141.9 | -59.9 | -177.2 | -178.8 | -153.1 | -0 | 119.6 | ||||
| 53 | L | 33.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | 167.3 | 97.9 | 115.6 | -83.3 | 164 | 0 | 0 | 0 | 107.9 | |||||
| 54 | S | 26.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 76.9 | 152 | 106.9 | -122.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 55 | P | 37.4 | Very low | 29 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | -123.5 | 173.4 | -107.1 | 33.6 | -14.5 | 0 | 0 | 0 | 114.7 | |||||
| 56 | E | 24.6 | Very low | 28.9 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | 88.1 | 96.7 | 147.6 | -148.9 | 158.8 | -162.9 | 0 | 0 | 118.4 | K58 | E56-K58 IonicContact OE1-NZ 2.79Å; E56-K58 PolarHBondContact OE1-NZ 3.27Å | ||
| 57 | S | 29.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -148.7 | 106.3 | 138.8 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | K | 27 | Very low | 28.7 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | trans | -71.8 | 118.2 | 175.9 | -67 | 160.7 | 174.5 | 142.8 | 0 | 109.3 | E56 | E56-K58 IonicContact OE1-NZ 2.79Å; E56-K58 PolarHBondContact OE1-NZ 3.27Å | ||
| 59 | R | 33.4 | Very low | 28.4 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -144.2 | 93.6 | 153.2 | -72.1 | -162.9 | -167.5 | -175.8 | 5.4 | 111.5 | ||||
| 60 | V | 29.9 | Very low | 28.4 | Very low | 140 Ų | 140 | 142 Ų | 142 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 29.7 | 113.1 | 136.1 | -171.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 61 | H | 25.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -57 | 137.8 | 160.3 | -79.2 | -96.4 | 0 | 0 | 0 | 112.8 | C63 | H61-C63 PolarHBondContact O-N 3.25Š| ||
| 62 | P | 36.6 | Very low | 28.4 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -73.4 | 109.2 | 150.9 | -5.6 | 23.4 | 0 | 0 | 0 | 108.3 | ||||
| 63 | C | 22.4 | Very low | 28.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -65.3 | 162 | 163.9 | -93.9 | 0 | 0 | 0 | 0 | 111.7 | H61 | H61-C63 PolarHBondContact O-N 3.25Š| ||
| 64 | S | 27.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 72.1 | 110.4 | 145 | 56.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 65 | G | 20.6 | Very low | 28.2 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -76.2 | -174.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 66 | P | 29.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | trans | -108.4 | 121.7 | 151.6 | 31.3 | -18.8 | 0 | 0 | 0 | 110.1 | ||||
| 67 | S | 25 | Very low | 28 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -57.8 | 134.2 | 150.3 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | G | 29.1 | Very low | 28 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -156.6 | 88.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | D | 25.3 | Very low | 28 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -56.1 | 130.9 | 166.1 | -69.6 | -54.1 | 0 | 0 | 0 | 111.6 | ||||
| 70 | R | 30.7 | Very low | 28 | Very low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -165.9 | 112.8 | 138.6 | -111.4 | 173.6 | -172.1 | -160.3 | 1.9 | 112.5 | ||||
| 71 | L | 26 | Very low | 27.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -40.5 | 129.7 | 151.5 | -64.7 | 142 | 0 | 0 | 0 | 111.6 | ||||
| 72 | T | 30.6 | Very low | 28 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | 165.2 | 111.5 | 122 | 38.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 73 | N | 25 | Very low | 27.6 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | 33.5 | 104.9 | 124 | -153.5 | 22.3 | 0 | 0 | 0 | 118.3 | |||||
| 74 | S | 29.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | 160.8 | 119 | 121.9 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 75 | N | 27.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 41.2 | 117.5 | 141.5 | -56.8 | -16.7 | 0 | 0 | 0 | 119.6 | ||||
| 76 | N | 27.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 93 | 143.9 | -60.6 | -23.1 | 0 | 0 | 0 | 117 | ||||
| 77 | L | 30.8 | Very low | 28.2 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -148.9 | 91.8 | 139.2 | -104.8 | 166.9 | 0 | 0 | 0 | 109.2 | N79 | L77-N79 HydrophobicContact CD2-CB 4.46Å; L77-N79 PolarHBondContact O-N 2.79Å | ||
| 78 | L | 29 | Very low | 28.1 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -63.7 | 83.3 | 160.7 | -161.6 | 143 | 0 | 0 | 0 | 106.8 | ||||
| 79 | N | 27.3 | Very low | 28 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -171.2 | 60.6 | 171 | -93.9 | -22.1 | 0 | 0 | 0 | 110.5 | L77 L81 | L77-N79 HydrophobicContact CD2-CB 4.46Å; L77-N79 PolarHBondContact O-N 2.79Å; N79-L81 PolarHBondContact O-N 2.85Å | ||
| 80 | I | 33 | Very low | 28.1 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -85.9 | 82.2 | 153.6 | -59.8 | -179.8 | 0 | 0 | 0 | 106.6 | W82 | I80-W82 PolarHBondContact O-N 3.16Å; I80-W82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | L | 28.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -42.7 | 100.6 | 161.7 | -169.7 | 76.4 | 0 | 0 | 0 | 110.1 | N79 | N79-L81 PolarHBondContact O-N 2.85Š| ||
| 82 | W | 27.5 | Very low | 28.2 | Very low | 223 Ų | 223 | 147.8 Ų | 147.8 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -78.4 | 142.1 | 156.7 | -75.1 | 84.6 | 0 | 0 | 0 | 108.6 | I80 R84 | I80-W82 PolarHBondContact O-N 3.16Å; I80-W82 VanDerWaalsContact O-N 3.12Å; W82-R84 PolarHBondContact O-N 3.48Å | ||
| 83 | P | 27.9 | Very low | 28.3 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -73.1 | 126.1 | -152.2 | -16.1 | 31.1 | 0 | 0 | 0 | 112.5 | T85 | P83-T85 PolarHBondContact O-N 3.28Š| ||
| 84 | R | 23.3 | Very low | 28.5 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | trans | -57.1 | 96.6 | 161 | -176.3 | -178.4 | -173.5 | 171.3 | 1.7 | 109.7 | W82 | W82-R84 PolarHBondContact O-N 3.48Š| ||
| 85 | T | 32.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -91.2 | 87.4 | 152.5 | 53.4 | 0 | 0 | 0 | 0 | 105.9 | P83 | P83-T85 PolarHBondContact O-N 3.28Š| ||
| 86 | S | 29.4 | Very low | 28.9 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | 56.8 | 93.9 | 98.7 | -156.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 87 | D | 27.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 50.6 | 113.3 | 140.5 | -53.8 | -34.8 | 0 | 0 | 0 | 120.2 | ||||
| 88 | R | 22 | Very low | 28.9 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | 24.8 | 136.7 | 125.5 | -121.1 | -167.7 | 170.1 | 167.2 | -4.4 | 116.7 | E90 | R88-E90 HydrophobicContact CG-CG 4.42Å; R88-E90 VanDerWaalsContact CZ-CD 3.47Å; R88-E90 IonicContact CZ-OE1 3.37Å; R88-E90 VanDerWaalsContact CZ-OE1 3.26Å; R88-E90 IonicContact CZ-OE2 3.83Å; R88-E90 IonicContact NE-OE1 3.19Å; R88-E90 PolarHBondContact NE-OE1 3.38Å; R88-E90 IonicContact NE-OE2 3.17Å; R88-E90 PolarHBondContact NE-OE2 3.45Å; R88-E90 IonicContact NH2-OE1 2.78Å; R88-E90 PolarHBondContact NH2-OE1 3.19Å; R88-E90 IonicContact NH2-OE2 3.05Å; R88-E90 PolarHBondContact NH2-OE2 3.14Å | |||
| 89 | P | 27.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | -127.6 | 144.2 | 67.1 | 23.8 | -6.5 | 0 | 0 | 0 | 113.9 | F91 | P89-F91 PolarHBondContact O-N 2.73Š| |||
| 90 | E | 28.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 54% | 0.537 | 75% | 0.752 | S | S | . | * | trans | -51.6 | 115.4 | 158 | -72.2 | 158.6 | 179.8 | 0 | 0 | 109.1 | R88 | R88-E90 HydrophobicContact CG-CG 4.42Å; R88-E90 VanDerWaalsContact CZ-CD 3.47Å; R88-E90 IonicContact CZ-OE1 3.37Å; R88-E90 VanDerWaalsContact CZ-OE1 3.26Å; R88-E90 IonicContact CZ-OE2 3.83Å; R88-E90 IonicContact NE-OE1 3.19Å; R88-E90 PolarHBondContact NE-OE1 3.38Å; R88-E90 IonicContact NE-OE2 3.17Å; R88-E90 PolarHBondContact NE-OE2 3.45Å; R88-E90 IonicContact NH2-OE1 2.78Å; R88-E90 PolarHBondContact NH2-OE1 3.19Å; R88-E90 IonicContact NH2-OE2 3.05Å; R88-E90 PolarHBondContact NH2-OE2 3.14Å | ||
| 91 | F | 32.1 | Very low | 29.5 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -96.5 | 88.5 | 146.5 | -86.5 | -86.7 | 0 | 0 | 0 | 106.7 | P89 A93 | P89-F91 PolarHBondContact O-N 2.73Å; F91-A93 PolarHBondContact O-N 3.45Å | ||
| 92 | E | 26.2 | Very low | 29.6 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -60 | 75.9 | 151.7 | -72.8 | -173.7 | 147.3 | 0 | 0 | 108.4 | V94 | E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 PolarHBondContact O-N 2.9Å; E92-V94 VanDerWaalsContact O-N 3.15Å | ||
| 93 | A | 31.3 | Very low | 29.8 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | trans | -83 | 83.4 | 163 | 0 | 0 | 0 | 0 | 0 | 107.3 | F91 L95 | F91-A93 PolarHBondContact O-N 3.45Å; A93-L95 PolarHBondContact O-N 3.21Å | ||
| 94 | V | 30.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 82.3 | 156.8 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | E92 | E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 PolarHBondContact O-N 2.9Å; E92-V94 VanDerWaalsContact O-N 3.15Å | ||
| 95 | L | 35.7 | Very low | 30.7 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -107.7 | 87.9 | 167.4 | -88.8 | 161.9 | 0 | 0 | 0 | 108.2 | A93 | A93-L95 PolarHBondContact O-N 3.21Š| ||
| 96 | R | 29.4 | Very low | 30.7 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | -6.6 | 126.9 | 153.2 | -76.8 | 179.2 | 174.2 | -173.7 | -1.4 | 115.3 | ||||
| 97 | N | 27.3 | Very low | 30.9 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 38.4 | 96.8 | 128.2 | -59.6 | -1 | 0 | 0 | 0 | 116.2 | |||||
| 98 | S | 31 | Very low | 30.9 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -138.2 | 73.2 | 144.2 | -68.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 99 | S | 33.9 | Very low | 31.5 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -57.3 | 131 | 160.8 | -59.2 | 0 | 0 | 0 | 0 | 107.5 | S101 | S99-S101 PolarHBondContact O-N 2.89Š| ||
| 100 | P | 36.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 110.1 | 179.5 | 26.3 | -30.7 | 0 | 0 | 0 | 108.4 | L102 | P100-L102 PolarHBondContact O-N 3.32Å; P100-L102 VanDerWaalsContact O-N 3.08Å | ||
| 101 | S | 30.8 | Very low | 32 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -60.7 | 108 | 164.7 | 173.7 | 0 | 0 | 0 | 0 | 107.8 | S99 S103 | S99-S101 PolarHBondContact O-N 2.89Å; S101-S103 PolarHBondContact O-N 2.96Å | ||
| 102 | L | 31.9 | Very low | 32.3 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -70.7 | 74.1 | 168.1 | -80.1 | 159.7 | 0 | 0 | 0 | 108.8 | P100 F104 | P100-L102 PolarHBondContact O-N 3.32Å; P100-L102 VanDerWaalsContact O-N 3.08Å; L102-F104 PolarHBondContact O-N 2.88Å | ||
| 103 | S | 30.7 | Very low | 32.4 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | -92.8 | 73.3 | 169.2 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | S101 | S101-S103 PolarHBondContact O-N 2.96Š| ||
| 104 | F | 35 | Very low | 32.8 | Very low | 200 Ų | 200 | 143 Ų | 143 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -141.6 | 57.3 | 160 | -74 | -76.5 | 0 | 0 | 0 | 109.6 | L102 | L102-F104 PolarHBondContact O-N 2.88Š| ||
| 105 | L | 35.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -95.1 | 94.1 | 149.9 | -124.9 | 77.7 | 0 | 0 | 0 | 106.2 | T107 | L105-T107 VanDerWaalsContact C-N 3.25Å; L105-T107 PolarHBondContact O-N 2.87Å | ||
| 106 | S | 31.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 83.9 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 107 | T | 33.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 125.2 | 166.1 | -45.6 | 0 | 0 | 0 | 0 | 107.9 | L105 | L105-T107 VanDerWaalsContact C-N 3.25Å; L105-T107 PolarHBondContact O-N 2.87Å | ||
| 108 | Y | 28.6 | Very low | 33 | Very low | 208 Ų | 208 | 138.6 Ų | 138.6 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -43.2 | 138.1 | -179.7 | -84.4 | -101.8 | 0 | 0 | 0 | 113.2 | S110 | Y108-S110 PolarHBondContact O-N 3.13Š| ||
| 109 | P | 33.4 | Very low | 33.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -73.8 | 119.8 | 180 | 29.6 | -30.5 | 0 | 0 | 0 | 109.6 | D111 | P109-D111 PolarHBondContact O-N 2.96Š| ||
| 110 | S | 36.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 119.7 | 163.8 | -63.3 | 0 | 0 | 0 | 0 | 109.2 | Y108 S112 | Y108-S110 PolarHBondContact O-N 3.13Å; S110-S112 PolarHBondContact O-N 3.49Å; S110-S112 VanDerWaalsContact O-N 3.12Å | ||
| 111 | D | 30 | Very low | 33.1 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -49.7 | 110.5 | 171.6 | -70.7 | -52.6 | 0 | 0 | 0 | 111.6 | P109 | P109-D111 PolarHBondContact O-N 2.96Š| ||
| 112 | S | 39.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -138.6 | 108 | 155.5 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | S110 T114 | S110-S112 PolarHBondContact O-N 3.49Å; S110-S112 VanDerWaalsContact O-N 3.12Å; S112-T114 PolarHBondContact O-N 3.43Å | ||
| 113 | K | 28.2 | Very low | 33.3 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -64.5 | 112.7 | 167.4 | -73.5 | 171.7 | 174.7 | 173 | 0 | 109 | ||||
| 114 | T | 38.7 | Very low | 33.3 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -157.2 | 117.1 | 146.9 | 26.6 | 0 | 0 | 0 | 0 | 110.9 | S112 | S112-T114 PolarHBondContact O-N 3.43Š| ||
| 115 | H | 33.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -19.7 | 135.3 | 161.8 | -65.7 | -89.9 | 0 | 0 | 0 | 117.9 | ||||
| 116 | S | 31.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 173.7 | 148.9 | 108.8 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 117 | C | 32.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 153.3 | -161.9 | -55.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 118 | D | 29.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | 43.8 | 119.6 | 142.5 | -82.8 | -40.7 | 0 | 0 | 0 | 121.7 | ||||
| 119 | P | 37.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -102.6 | 89 | 145.7 | 33.8 | -21.8 | 0 | 0 | 0 | 110 | ||||
| 120 | K | 32 | Very low | 33.8 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -101.5 | 96.9 | 153.7 | -98.9 | 173 | 178.8 | 166.6 | 0 | 107.5 | ||||
| 121 | S | 34.1 | Very low | 33.7 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | trans | -154.2 | 105.1 | 172.1 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 122 | Y | 36.4 | Very low | 34.7 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | 64.1 | 105.8 | 144.3 | -51.5 | -72.7 | 0 | 0 | 0 | 117.8 | ||||
| 123 | L | 31.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | 60.7 | 110.1 | 83.6 | -75.4 | 172.4 | 0 | 0 | 0 | 113.6 | |||||
| 124 | N | 30.1 | Very low | 35.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 135.6 | 102.5 | 139.7 | -70.5 | -30.6 | 0 | 0 | 0 | 110.1 | ||||
| 125 | A | 31 | Very low | 36.2 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | 103.1 | 105.1 | 78.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 126 | S | 36.1 | Very low | 37.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | 169.9 | 109.5 | 121.6 | -73.6 | 0 | 0 | 0 | 0 | 108 | S128 | S126-S128 PolarHBondContact O-N 3.12Š| |||
| 127 | Q | 31.9 | Very low | 38.1 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -48.4 | 116.8 | 158.5 | -69.3 | 163.5 | -26.3 | 0 | 0 | 108.7 | ||||
| 128 | S | 34.7 | Very low | 39.3 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -108.7 | 96.8 | 149 | 179 | 0 | 0 | 0 | 0 | 105.6 | S126 R130 | S126-S128 PolarHBondContact O-N 3.12Å; S128-R130 PolarHBondContact O-N 3Å | ||
| 129 | I | 39.3 | Very low | 40.8 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -56 | 92.8 | 156.5 | -64.3 | 166.1 | 0 | 0 | 0 | 104.6 | ||||
| 130 | R | 36 | Very low | 42.4 | Very low | 222 Ų | 222 | 137.4 Ų | 137.4 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -101.1 | 110 | 175.9 | -157.5 | 177.5 | -172.7 | -177.9 | 2.4 | 106.6 | S128 | S128-R130 PolarHBondContact O-N 3Š| ||
| 131 | D | 33.9 | Very low | 44.5 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -41 | 123.8 | -179.3 | -65 | -63.8 | 0 | 0 | 0 | 112.7 | N133 | D131-N133 PolarHBondContact O-N 3.07Š| ||
| 132 | P | 50.7 | Low | 46.8 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -84.2 | 51 | 178.2 | 36.4 | -35.3 | 0 | 0 | 0 | 109.9 | ||
| 133 | N | 42.6 | Very low | 49.4 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | -150.4 | 55.7 | -172.6 | -78.6 | -48 | 0 | 0 | 0 | 113.5 | D131 | D131-N133 PolarHBondContact O-N 3.07Š| ||
| 134 | T | 45.9 | Very low | 52.3 | Low | 145 Ų | 145 | 124 Ų | 124 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -176.2 | 140.2 | 144.9 | 10.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 135 | A | 49.4 | Very low | 55.3 | Low | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 74.7 | 73.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 136 | N | 51.9 | Low | 58.3 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | -166.8 | 16.6 | 139.8 | -92 | -21 | 0 | 0 | 0 | 114.4 | K138 S139 | N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.28Å; N136-S139 PolarHBondContact O-OG 2.9Å; N136-S139 VanDerWaalsContact O-OG 3.05Å | ||
| 137 | S | 52.7 | Low | 61.1 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -15.2 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 138 | K | 57.9 | Low | 64 | Low | 199 Ų | 199 | 113.6 Ų | 113.6 | 87% | 0.865 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -1.5 | -179.4 | -156.3 | 161.5 | -178.5 | 174.7 | 0 | 113.9 | N136 | N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.28Å |
| 139 | S | 61.1 | Low | 66.9 | Low | 63 Ų | 63 | 116.1 Ų | 116.1 | 44% | 0.441 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -104.8 | -20.5 | -174.7 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | N136 G143 | N136-S139 PolarHBondContact O-OG 2.9Å; N136-S139 VanDerWaalsContact O-OG 3.05Å; S139-G143 PolarHBondContact O-N 2.84Å |
| 140 | H | 71.6 | Confident | 69.5 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.4 | -49.1 | -175.8 | -168.3 | 61 | 0 | 0 | 0 | 112.9 | H142 G143 Q144 | H140-H142 PolarHBondContact O-N 3.2Å; H140-G143 PolarHBondContact O-N 3.05Å; H140-Q144 PolarHBondContact NE2-NE2 3.29Å; H140-Q144 WeakPolarHBondContact O-CG 3.48Å; H140-Q144 PolarHBondContact O-N 3.38Å |
| 141 | A | 74.8 | Confident | 72.3 | Confident | 72 Ų | 72 | 108.7 Ų | 108.7 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q144 A145 | A141-Q144 PolarHBondContact O-N 3.27Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.19Å |
| 142 | H | 83 | Confident | 75.2 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 62% | 0.616 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -39.5 | 173.9 | -175.3 | 58.2 | 0 | 0 | 0 | 111.5 | H140 A145 E146 | H140-H142 PolarHBondContact O-N 3.2Å; H142-A145 PolarHBondContact O-N 2.79Å; H142-E146 WeakPolarHBondContact O-CB 2.94Å; H142-E146 PolarHBondContact O-N 3.29Å |
| 143 | G | 90.9 | Very high | 77.3 | Confident | 36 Ų | 36 | 108.6 Ų | 108.6 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S139 H140 Q147 | S139-G143 PolarHBondContact O-N 2.84Å; H140-G143 PolarHBondContact O-N 3.05Å; G143-Q147 VanDerWaalsContact O-CB 3.27Å; G143-Q147 WeakPolarHBondContact O-CB 3.42Å; G143-Q147 PolarHBondContact O-N 3.27Å |
| 144 | Q | 93.3 | Very high | 79.6 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.5 | -47.9 | 174.8 | -72.8 | -173.9 | -9.3 | 0 | 0 | 112 | H140 A141 E146 Q147 I148 | H140-Q144 PolarHBondContact NE2-NE2 3.29Å; H140-Q144 WeakPolarHBondContact O-CG 3.48Å; H140-Q144 PolarHBondContact O-N 3.38Å; A141-Q144 PolarHBondContact O-N 3.27Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.89Å; Q144-Q147 PolarHBondContact O-N 3.46Å; Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.33Å; Q144-I148 PolarHBondContact O-N 3.16Å |
| 145 | A | 92.5 | Very high | 81.9 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A141 H142 I148 R149 | A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.19Å; H142-A145 PolarHBondContact O-N 2.79Å; A145-I148 PolarHBondContact O-N 3.31Å; A145-R149 WeakPolarHBondContact O-CB 3.46Å; A145-R149 PolarHBondContact O-N 2.85Å |
| 146 | E | 94.4 | Very high | 84 | Confident | 35 Ų | 35 | 103.6 Ų | 103.6 | 16% | 0.164 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.5 | 177.1 | 60.1 | -170.8 | 0 | 0 | 112.2 | H142 Q144 R149 R150 | H142-E146 WeakPolarHBondContact O-CB 2.94Å; H142-E146 PolarHBondContact O-N 3.29Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.89Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.1Å; E146-R149 IonicContact OE1-CZ 3.91Å; E146-R149 IonicContact OE1-NE 2.68Å; E146-R149 IonicContact OE1-NH2 3.28Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.65Å; E146-R149 IonicContact OE2-NE 3.2Å; E146-R149 PolarHBondContact OE2-NE 3.45Å; E146-R149 IonicContact OE2-NH2 3.81Å; E146-R149 PolarHBondContact OE2-NH2 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å; E146-R150 IonicContact OE1-CZ 3.07Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 3.47Å; E146-R150 IonicContact OE1-NH2 2.7Å; E146-R150 PolarHBondContact OE1-NH2 2.8Å |
| 147 | Q | 94.5 | Very high | 85.9 | Confident | 139 Ų | 139 | 98.5 Ų | 98.5 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 175.7 | -174.5 | 175.2 | 11.6 | 0 | 0 | 111.4 | G143 Q144 R149 R150 S151 | G143-Q147 VanDerWaalsContact O-CB 3.27Å; G143-Q147 WeakPolarHBondContact O-CB 3.42Å; G143-Q147 PolarHBondContact O-N 3.27Å; Q144-Q147 PolarHBondContact O-N 3.46Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R150 PolarHBondContact O-N 2.86Å; Q147-S151 WeakPolarHBondContact O-CB 3.34Å; Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 PolarHBondContact O-OG 2.49Å |
| 148 | I | 94.1 | Very high | 87.7 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.4 | -66.5 | 164.6 | 0 | 0 | 0 | 110.6 | Q144 A145 S151 R152 | Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.33Å; Q144-I148 PolarHBondContact O-N 3.16Å; A145-I148 PolarHBondContact O-N 3.31Å; I148-S151 WeakPolarHBondContact CA-OG 3.32Å; I148-S151 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-OG 2.92Å; I148-R152 HydrophobicContact CG2-CG 4.44Å; I148-R152 WeakPolarHBondContact O-CB 3.45Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 2.95Å |
| 149 | R | 95.2 | Very high | 89.4 | Confident | 152 Ų | 152 | 91.3 Ų | 91.3 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 175.6 | -172.7 | 178.1 | 71.4 | 126 | 2.5 | 111.3 | A145 E146 Q147 E153 | A145-R149 WeakPolarHBondContact O-CB 3.46Å; A145-R149 PolarHBondContact O-N 2.85Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.1Å; E146-R149 IonicContact OE1-CZ 3.91Å; E146-R149 IonicContact OE1-NE 2.68Å; E146-R149 IonicContact OE1-NH2 3.28Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.65Å; E146-R149 IonicContact OE2-NE 3.2Å; E146-R149 PolarHBondContact OE2-NE 3.45Å; E146-R149 IonicContact OE2-NH2 3.81Å; E146-R149 PolarHBondContact OE2-NH2 3.26Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-E153 WeakPolarHBondContact O-CB 3.16Å; R149-E153 PolarHBondContact O-N 2.98Å |
| 150 | R | 93.2 | Very high | 90.9 | Very high | 155 Ų | 155 | 89.7 Ų | 89.7 | 59% | 0.585 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.2 | -37.6 | 178.2 | -70.9 | 178.3 | -174 | -146.9 | 1.2 | 113 | E146 Q147 S154 | E146-R150 WeakPolarHBondContact O-CG 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å; E146-R150 IonicContact OE1-CZ 3.07Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 3.47Å; E146-R150 IonicContact OE1-NH2 2.7Å; E146-R150 PolarHBondContact OE1-NH2 2.8Å; Q147-R150 PolarHBondContact O-N 2.86Å; R150-S154 WeakPolarHBondContact O-CB 3.18Å; R150-S154 PolarHBondContact O-N 3.03Å |
| 151 | S | 94.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 86.2 Ų | 86.2 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 178 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | Q147 I148 S154 I155 | Q147-S151 WeakPolarHBondContact O-CB 3.34Å; Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 PolarHBondContact O-OG 2.49Å; I148-S151 WeakPolarHBondContact CA-OG 3.32Å; I148-S151 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-OG 2.92Å; S151-S154 WeakPolarHBondContact O-CB 3.09Å; S151-S154 PolarHBondContact O-N 3.27Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.41Å |
| 152 | R | 95.8 | Very high | 92.5 | Very high | 172 Ų | 172 | 85.3 Ų | 85.3 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.7 | -48.4 | 173.6 | -73.6 | 178.7 | 172.7 | -171.9 | -4.3 | 111.6 | I148 S154 I155 T156 | I148-R152 HydrophobicContact CG2-CG 4.44Å; I148-R152 WeakPolarHBondContact O-CB 3.45Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 2.95Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.9Å; R152-I155 PolarHBondContact O-N 3.39Å; R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 2.89Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å |
| 153 | E | 93.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 84 Ų | 84 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 176.6 | -163.5 | -157.6 | 152.7 | 0 | 0 | 111.4 | R149 I155 T156 F157 K194 | R149-E153 WeakPolarHBondContact O-CB 3.16Å; R149-E153 PolarHBondContact O-N 2.98Å; E153-I155 PolarHBondContact O-N 3.47Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-F157 HydrophobicContact CG-CD2 3.79Å; E153-F157 HydrophobicContact CG-CE2 3.64Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 PolarHBondContact O-N 2.97Å; E153-F157 VanDerWaalsContact OE1-CE2 3.3Å; E153-F157 WeakPolarHBondContact OE1-CE2 3.31Å; E153-K194 IonicContact OE1-NZ 3.08Å; E153-K194 PolarHBondContact OE1-NZ 3.34Å; E153-K194 IonicContact OE2-NZ 2.75Å |
| 154 | S | 92.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 82.5 Ų | 82.5 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | R150 S151 R152 F157 S158 | R150-S154 WeakPolarHBondContact O-CB 3.18Å; R150-S154 PolarHBondContact O-N 3.03Å; S151-S154 WeakPolarHBondContact O-CB 3.09Å; S151-S154 PolarHBondContact O-N 3.27Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.9Å; S154-F157 PolarHBondContact O-N 2.75Å; S154-S158 WeakPolarHBondContact O-CB 3.27Å; S154-S158 PolarHBondContact O-N 3.3Å; S154-S158 PolarHBondContact O-OG 2.8Å; S154-S158 VanDerWaalsContact O-OG 3.14Å |
| 155 | I | 94.1 | Very high | 92.7 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 61% | 0.605 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 177.6 | -67.5 | 163.9 | 0 | 0 | 0 | 110.1 | S151 R152 E153 F157 S158 L159 | S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.41Å; R152-I155 PolarHBondContact O-N 3.39Å; E153-I155 PolarHBondContact O-N 3.47Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.86Å; I155-S158 PolarHBondContact O-N 3.09Å; I155-L159 PolarHBondContact O-N 3.26Å |
| 156 | T | 92.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 82.5 Ų | 82.5 | 47% | 0.466 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | R152 E153 L159 I160 | R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 2.89Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å; E153-T156 PolarHBondContact O-N 3.25Å; T156-L159 PolarHBondContact O-N 3.08Å; T156-I160 HydrophobicContact CG2-CD1 4.03Å; T156-I160 VanDerWaalsContact O-CG1 3.31Å; T156-I160 WeakPolarHBondContact O-CG1 3.43Å; T156-I160 PolarHBondContact O-N 3.49Å |
| 157 | F | 92.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 85.3 Ų | 85.3 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.5 | -36 | 178.3 | -84.2 | -67.1 | 0 | 0 | 0 | 113.3 | E153 S154 I155 L159 I160 D161 K194 L198 | E153-F157 HydrophobicContact CG-CD2 3.79Å; E153-F157 HydrophobicContact CG-CE2 3.64Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 PolarHBondContact O-N 2.97Å; E153-F157 VanDerWaalsContact OE1-CE2 3.3Å; E153-F157 WeakPolarHBondContact OE1-CE2 3.31Å; S154-F157 PolarHBondContact O-N 2.75Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.86Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-I160 HydrophobicContact CD1-CD1 4.31Å; F157-I160 HydrophobicContact CE1-CD1 4.48Å; F157-I160 PolarHBondContact O-N 2.86Å; F157-D161 VanDerWaalsContact O-CB 3.28Å; F157-D161 WeakPolarHBondContact O-CB 3.5Å; F157-D161 PolarHBondContact O-N 3.27Å; F157-K194 HydrophobicContact CD1-CB 4.02Å; F157-K194 HydrophobicContact CD1-CD 4.45Å; F157-K194 HydrophobicContact CD1-CG 3.8Å; F157-K194 HydrophobicContact CD2-CD 3.61Å; F157-K194 VanDerWaalsContact CD2-CE 3.45Å; F157-K194 HydrophobicContact CD2-CG 3.87Å; F157-K194 HydrophobicContact CE1-CB 3.64Å; F157-K194 HydrophobicContact CE1-CD 4.41Å; F157-K194 HydrophobicContact CE1-CG 3.89Å; F157-K194 HydrophobicContact CE2-CB 4.24Å; F157-K194 HydrophobicContact CE2-CD 3.59Å; F157-K194 HydrophobicContact CE2-CG 3.98Å; F157-K194 HydrophobicContact CG-CB 4.48Å; F157-K194 HydrophobicContact CG-CD 4.08Å; F157-K194 HydrophobicContact CG-CG 3.8Å; F157-K194 HydrophobicContact CZ-CB 3.77Å; F157-K194 HydrophobicContact CZ-CD 4.01Å; F157-K194 HydrophobicContact CZ-CG 3.98Å; F157-L198 HydrophobicContact CE1-CD1 4.24Å; F157-L198 HydrophobicContact CE1-CD2 4.01Å; F157-L198 HydrophobicContact CE1-CG 3.83Å; F157-L198 HydrophobicContact CZ-CD1 4Å; F157-L198 HydrophobicContact CZ-CD2 4.24Å; F157-L198 HydrophobicContact CZ-CG 4.08Å |
| 158 | S | 90.8 | Very high | 91.8 | Very high | 74 Ų | 74 | 83 Ų | 83 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 172.3 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | S154 I155 D161 S162 | S154-S158 WeakPolarHBondContact O-CB 3.27Å; S154-S158 PolarHBondContact O-N 3.3Å; S154-S158 PolarHBondContact O-OG 2.8Å; S154-S158 VanDerWaalsContact O-OG 3.14Å; I155-S158 PolarHBondContact O-N 3.09Å; S158-D161 PolarHBondContact O-N 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.24Å; S158-S162 PolarHBondContact O-N 3.13Å; S158-S162 PolarHBondContact O-OG 3.14Å |
| 159 | L | 93.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 81.2 Ų | 81.2 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 175 | -175.1 | 71.5 | 0 | 0 | 0 | 111.3 | I155 T156 F157 D161 S162 Q163 | I155-L159 PolarHBondContact O-N 3.26Å; T156-L159 PolarHBondContact O-N 3.08Å; F157-L159 VanDerWaalsContact C-N 3.33Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.74Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 PolarHBondContact O-OG 2.93Å; L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.31Å |
| 160 | I | 91.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 76.2 Ų | 76.2 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 176.1 | -68.8 | 166 | 0 | 0 | 0 | 110.4 | T156 F157 S162 Q163 L164 N197 V201 | T156-I160 HydrophobicContact CG2-CD1 4.03Å; T156-I160 VanDerWaalsContact O-CG1 3.31Å; T156-I160 WeakPolarHBondContact O-CG1 3.43Å; T156-I160 PolarHBondContact O-N 3.49Å; F157-I160 HydrophobicContact CD1-CD1 4.31Å; F157-I160 HydrophobicContact CE1-CD1 4.48Å; F157-I160 PolarHBondContact O-N 2.86Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 3.34Å; I160-Q163 PolarHBondContact O-N 3.3Å; I160-L164 HydrophobicContact CG2-CD1 3.82Å; I160-L164 HydrophobicContact CG2-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.17Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-N197 HydrophobicContact CG2-CB 4.11Å; I160-V201 HydrophobicContact CG2-CG2 3.67Å |
| 161 | D | 90.3 | Very high | 91 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | -178.9 | -157 | 51.5 | 0 | 0 | 0 | 111.9 | F157 S158 L159 S165 R173 T192 N197 | F157-D161 VanDerWaalsContact O-CB 3.28Å; F157-D161 WeakPolarHBondContact O-CB 3.5Å; F157-D161 PolarHBondContact O-N 3.27Å; S158-D161 PolarHBondContact O-N 3.3Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.74Å; D161-S165 WeakPolarHBondContact O-CB 3.35Å; D161-S165 PolarHBondContact O-N 3.31Å; D161-S165 VanDerWaalsContact O-N 3.09Å; D161-R173 PolarHBondContact O-NH1 2.89Å; D161-R173 VanDerWaalsContact O-NH1 3.15Å; D161-R173 IonicContact OD1-CZ 2.73Å; D161-R173 IonicContact OD1-NH1 3.72Å; D161-R173 PolarHBondContact OD1-NH1 2.89Å; D161-R173 IonicContact OD1-NH2 2.69Å; D161-R173 PolarHBondContact OD1-NH2 2.62Å; D161-R173 IonicContact OD2-NH2 2.59Å; D161-T192 PolarHBondContact OD1-OG1 3.43Å; D161-N197 PolarHBondContact OD1-ND2 2.93Å |
| 162 | S | 90.5 | Very high | 90.6 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.1 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | S158 L159 I160 L164 S165 I166 | S158-S162 WeakPolarHBondContact O-CB 3.24Å; S158-S162 PolarHBondContact O-N 3.13Å; S158-S162 PolarHBondContact O-OG 3.14Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 PolarHBondContact O-OG 2.93Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 3.34Å; S162-L164 PolarHBondContact O-N 3.23Å; S162-S165 PolarHBondContact O-N 3.24Å; S162-S165 VanDerWaalsContact O-N 3.1Å; S162-S165 PolarHBondContact O-OG 3.41Å; S162-I166 WeakPolarHBondContact O-CG1 3.29Å |
| 163 | Q | 92.1 | Very high | 90.1 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 179.7 | -71.5 | -178.5 | -10.2 | 0 | 0 | 112 | L159 I160 S165 I166 | L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.31Å; I160-Q163 PolarHBondContact O-N 3.3Å; Q163-S165 PolarHBondContact O-N 2.89Å; Q163-I166 PolarHBondContact O-N 3.47Å |
| 164 | L | 89.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69 | -14.6 | 175.3 | -69.3 | -178 | 0 | 0 | 0 | 113.2 | I160 S162 L169 N170 N197 V200 V201 I204 | I160-L164 HydrophobicContact CG2-CD1 3.82Å; I160-L164 HydrophobicContact CG2-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.17Å; I160-L164 PolarHBondContact O-N 2.88Å; S162-L164 PolarHBondContact O-N 3.23Å; L164-L169 HydrophobicContact CD2-CB 4.26Å; L164-L169 HydrophobicContact CD2-CD1 4.37Å; L164-N170 WeakPolarHBondContact O-CA 3.43Å; L164-N170 PolarHBondContact O-N 2.93Å; L164-N197 HydrophobicContact CD1-CB 4.06Å; L164-V200 HydrophobicContact CD1-CB 4.25Å; L164-V200 HydrophobicContact CD1-CG1 4.11Å; L164-V200 HydrophobicContact CD2-CG1 3.85Å; L164-V201 HydrophobicContact CD1-CG2 4.08Å; L164-V201 HydrophobicContact CD2-CG2 4.26Å; L164-V201 HydrophobicContact CG-CG2 4.39Å; L164-I204 HydrophobicContact CD2-CD1 3.53Å |
| 165 | S | 88.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9 | 175.6 | 75 | 0 | 0 | 0 | 0 | 113.4 | D161 S162 Q163 N170 | D161-S165 WeakPolarHBondContact O-CB 3.35Å; D161-S165 PolarHBondContact O-N 3.31Å; D161-S165 VanDerWaalsContact O-N 3.09Å; S162-S165 PolarHBondContact O-N 3.24Å; S162-S165 VanDerWaalsContact O-N 3.1Å; S162-S165 PolarHBondContact O-OG 3.41Å; Q163-S165 PolarHBondContact O-N 2.89Å; S165-N170 WeakPolarHBondContact O-CB 3.18Å; S165-N170 VanDerWaalsContact O-CG 3.29Å; S165-N170 PolarHBondContact O-ND2 2.77Å |
| 166 | I | 89.6 | Confident | 89.1 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -96.1 | 139 | -178.9 | -59.2 | 164.9 | 0 | 0 | 0 | 109.4 | S162 Q163 L169 N170 | S162-I166 WeakPolarHBondContact O-CG1 3.29Å; Q163-I166 PolarHBondContact O-N 3.47Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-L169 VanDerWaalsContact O-N 3.07Å; I166-N170 PolarHBondContact O-N 3.43Å |
| 167 | P | 86.8 | Confident | 88.6 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 147.1 | 170.9 | -23.7 | 34.3 | 0 | 0 | 0 | 112.4 | ||
| 168 | P | 86.7 | Confident | 88.2 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.8 | -8.7 | 0.4 | 33.1 | -35.3 | 0 | 0 | 0 | 113.8 | N170 Q171 | P168-N170 VanDerWaalsContact C-N 3.28Å; P168-N170 PolarHBondContact O-N 2.97Å; P168-Q171 PolarHBondContact O-N 2.87Å |
| 169 | L | 88.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -30 | -171.1 | -57.4 | -174.7 | 0 | 0 | 0 | 113.4 | L164 I166 Q171 I172 R173 I204 | L164-L169 HydrophobicContact CD2-CB 4.26Å; L164-L169 HydrophobicContact CD2-CD1 4.37Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-L169 VanDerWaalsContact O-N 3.07Å; L169-Q171 PolarHBondContact O-N 3.21Å; L169-I172 HydrophobicContact CD2-CD1 4.22Å; L169-I172 WeakPolarHBondContact O-CB 3.43Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.12Å; L169-R173 PolarHBondContact O-N 3.33Å; L169-I204 HydrophobicContact CB-CD1 4.47Å; L169-I204 HydrophobicContact CD2-CD1 3.91Å; L169-I204 HydrophobicContact CD2-CG1 4.32Å; L169-I204 HydrophobicContact CD2-CG2 4.06Å |
| 170 | N | 89.1 | Confident | 86.7 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.9 | -35.9 | 176.7 | -158.4 | 14.9 | 0 | 0 | 0 | 112.8 | L164 S165 I166 P168 I172 R173 D174 | L164-N170 WeakPolarHBondContact O-CA 3.43Å; L164-N170 PolarHBondContact O-N 2.93Å; S165-N170 WeakPolarHBondContact O-CB 3.18Å; S165-N170 VanDerWaalsContact O-CG 3.29Å; S165-N170 PolarHBondContact O-ND2 2.77Å; I166-N170 PolarHBondContact O-N 3.43Å; P168-N170 VanDerWaalsContact C-N 3.28Å; P168-N170 PolarHBondContact O-N 2.97Å; N170-I172 PolarHBondContact O-N 3.01Å; N170-R173 WeakPolarHBondContact O-CB 3.4Å; N170-R173 PolarHBondContact O-N 3.39Å; N170-D174 WeakPolarHBondContact O-CB 3.26Å; N170-D174 VanDerWaalsContact O-CG 3.27Å; N170-D174 PolarHBondContact O-N 3.02Å |
| 171 | Q | 88.2 | Confident | 85.6 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 177.2 | -60.5 | 179.4 | 9.6 | 0 | 0 | 111.4 | P168 L169 R173 D174 I175 | P168-Q171 PolarHBondContact O-N 2.87Å; L169-Q171 PolarHBondContact O-N 3.21Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; Q171-D174 PolarHBondContact O-N 3.32Å; Q171-I175 WeakPolarHBondContact O-CB 3.32Å; Q171-I175 WeakPolarHBondContact O-CD1 3.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.2Å |
| 172 | I | 86.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 34% | 0.344 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177 | -57.9 | 173.5 | 0 | 0 | 0 | 109.8 | L169 N170 Y176 V200 I204 | L169-I172 HydrophobicContact CD2-CD1 4.22Å; L169-I172 WeakPolarHBondContact O-CB 3.43Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.12Å; N170-I172 PolarHBondContact O-N 3.01Å; I172-Y176 WeakPolarHBondContact O-CB 2.96Å; I172-Y176 PolarHBondContact O-N 3.21Å; I172-V200 HydrophobicContact CG2-CG1 4.46Å; I172-I204 HydrophobicContact CD1-CG1 4.02Å; I172-I204 HydrophobicContact CG2-CG1 4.04Å |
| 173 | R | 86.2 | Confident | 82 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 175.6 | -179.7 | -165.5 | 179.7 | 149 | -0.8 | 111.3 | D161 L169 N170 Q171 Y176 L177 T192 V200 | D161-R173 PolarHBondContact O-NH1 2.89Å; D161-R173 VanDerWaalsContact O-NH1 3.15Å; D161-R173 IonicContact OD1-CZ 2.73Å; D161-R173 IonicContact OD1-NH1 3.72Å; D161-R173 PolarHBondContact OD1-NH1 2.89Å; D161-R173 IonicContact OD1-NH2 2.69Å; D161-R173 PolarHBondContact OD1-NH2 2.62Å; D161-R173 IonicContact OD2-NH2 2.59Å; L169-R173 PolarHBondContact O-N 3.33Å; N170-R173 WeakPolarHBondContact O-CB 3.4Å; N170-R173 PolarHBondContact O-N 3.39Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; R173-Y176 WeakPolarHBondContact O-CB 3.24Å; R173-Y176 PolarHBondContact O-N 3.11Å; R173-L177 HydrophobicContact CG-CD1 4.02Å; R173-L177 WeakPolarHBondContact O-CB 3.41Å; R173-L177 VanDerWaalsContact O-CG 3.29Å; R173-L177 WeakPolarHBondContact O-CG 3.37Å; R173-L177 PolarHBondContact O-N 3.16Å; R173-T192 PolarHBondContact NH2-OG1 3.47Å; R173-V200 HydrophobicContact CB-CG1 4.21Å |
| 174 | D | 85.6 | Confident | 80.2 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | -178.9 | -74.2 | -19 | 0 | 0 | 0 | 111.7 | N170 Q171 Y176 L177 Q178 | N170-D174 WeakPolarHBondContact O-CB 3.26Å; N170-D174 VanDerWaalsContact O-CG 3.27Å; N170-D174 PolarHBondContact O-N 3.02Å; Q171-D174 PolarHBondContact O-N 3.32Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; D174-Y176 PolarHBondContact O-N 3.43Å; D174-L177 PolarHBondContact O-N 3.04Å; D174-Q178 WeakPolarHBondContact O-CB 3.41Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.04Å |
| 175 | I | 85.9 | Confident | 78 | Confident | 100 Ų | 100 | 87 Ų | 87 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.1 | -68.9 | 165.6 | 0 | 0 | 0 | 110.4 | Q171 L177 Q178 T179 | Q171-I175 WeakPolarHBondContact O-CB 3.32Å; Q171-I175 WeakPolarHBondContact O-CD1 3.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.2Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.21Å; I175-Q178 PolarHBondContact O-N 2.85Å; I175-T179 WeakPolarHBondContact O-CB 3.17Å; I175-T179 PolarHBondContact O-N 2.8Å; I175-T179 PolarHBondContact O-OG1 2.7Å |
| 176 | Y | 85.4 | Confident | 76.1 | Confident | 35 Ų | 35 | 89 Ų | 89 | 14% | 0.137 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.9 | -172.4 | -82.9 | 0 | 0 | 0 | 111.9 | I172 R173 D174 R180 T196 S199 V200 | I172-Y176 WeakPolarHBondContact O-CB 2.96Å; I172-Y176 PolarHBondContact O-N 3.21Å; R173-Y176 WeakPolarHBondContact O-CB 3.24Å; R173-Y176 PolarHBondContact O-N 3.11Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; D174-Y176 PolarHBondContact O-N 3.43Å; Y176-R180 HydrophobicContact CE1-CG 4.29Å; Y176-R180 PolarHBondContact O-N 3.08Å; Y176-R180 PolarHBondContact OH-NE 3.2Å; Y176-R180 PolarHBondContact OH-NH2 3.19Å; Y176-T196 HydrophobicContact CD1-CG2 4.05Å; Y176-T196 HydrophobicContact CE1-CG2 4Å; Y176-S199 WeakPolarHBondContact OH-CB 3.41Å; Y176-S199 PolarHBondContact OH-OG 3.18Å; Y176-V200 HydrophobicContact CD1-CG2 3.51Å; Y176-V200 HydrophobicContact CD2-CG2 4.18Å; Y176-V200 HydrophobicContact CE1-CG2 4.14Å; Y176-V200 HydrophobicContact CG-CG2 3.56Å |
| 177 | L | 83.7 | Confident | 74.3 | Confident | 31 Ų | 31 | 91.9 Ų | 91.9 | 16% | 0.162 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 175.9 | -72 | 169.3 | 0 | 0 | 0 | 111.5 | R173 D174 I175 T179 R180 S181 A190 T192 T196 | R173-L177 HydrophobicContact CG-CD1 4.02Å; R173-L177 WeakPolarHBondContact O-CB 3.41Å; R173-L177 VanDerWaalsContact O-CG 3.29Å; R173-L177 WeakPolarHBondContact O-CG 3.37Å; R173-L177 PolarHBondContact O-N 3.16Å; D174-L177 PolarHBondContact O-N 3.04Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.21Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 2.88Å; L177-R180 PolarHBondContact O-N 3.49Å; L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 3.07Å; L177-S181 PolarHBondContact O-OG 3.02Å; L177-A190 HydrophobicContact CD2-CB 4.41Å; L177-T192 HydrophobicContact CD1-CG2 3.65Å; L177-T192 HydrophobicContact CD2-CG2 4.01Å; L177-T192 HydrophobicContact CG-CG2 4.43Å; L177-T196 HydrophobicContact CD2-CG2 3.54Å; L177-T196 HydrophobicContact CG-CG2 4.47Å |
| 178 | Q | 83.7 | Confident | 72.6 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 177.6 | -73.9 | 171.9 | 10.5 | 0 | 0 | 112.1 | D174 I175 R180 S181 | D174-Q178 WeakPolarHBondContact O-CB 3.41Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.04Å; I175-Q178 PolarHBondContact O-N 2.85Å; Q178-R180 VanDerWaalsContact C-N 3.34Å; Q178-R180 PolarHBondContact O-N 3.13Å; Q178-S181 WeakPolarHBondContact CA-OG 3.49Å; Q178-S181 PolarHBondContact O-N 2.96Å; Q178-S181 PolarHBondContact O-OG 3.01Å |
| 179 | T | 80.7 | Confident | 71.1 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 66% | 0.663 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.8 | -34.2 | -178.4 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | I175 L177 | I175-T179 WeakPolarHBondContact O-CB 3.17Å; I175-T179 PolarHBondContact O-N 2.8Å; I175-T179 PolarHBondContact O-OG1 2.7Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 2.88Å |
| 180 | R | 71 | Confident | 69.7 | Low | 165 Ų | 165 | 94.3 Ų | 94.3 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -85.3 | -24.8 | 177 | -78.2 | -166.2 | 177.5 | -113.1 | 2.5 | 114.2 | Y176 L177 Q178 T182 | Y176-R180 HydrophobicContact CE1-CG 4.29Å; Y176-R180 PolarHBondContact O-N 3.08Å; Y176-R180 PolarHBondContact OH-NE 3.2Å; Y176-R180 PolarHBondContact OH-NH2 3.19Å; L177-R180 PolarHBondContact O-N 3.49Å; Q178-R180 VanDerWaalsContact C-N 3.34Å; Q178-R180 PolarHBondContact O-N 3.13Å; R180-T182 PolarHBondContact O-N 3.33Å |
| 181 | S | 69.1 | Low | 68.6 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -74.3 | 72.7 | 169 | 64.1 | 0 | 0 | 0 | 0 | 108.6 | L177 Q178 C183 | L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 3.07Å; L177-S181 PolarHBondContact O-OG 3.02Å; Q178-S181 WeakPolarHBondContact CA-OG 3.49Å; Q178-S181 PolarHBondContact O-N 2.96Å; Q178-S181 PolarHBondContact O-OG 3.01Å; S181-C183 PolarHBondContact O-N 3.32Å |
| 182 | T | 59.2 | Low | 67.8 | Low | 123 Ų | 123 | 98.8 Ų | 98.8 | 76% | 0.755 | 55% | 0.554 | S | S | * | * | trans | -57 | 113.7 | 173.1 | -51.8 | 0 | 0 | 0 | 0 | 108.4 | R180 | R180-T182 PolarHBondContact O-N 3.33Š| ||
| 183 | C | 47 | Very low | 67.5 | Low | 130 Ų | 130 | 99 Ų | 99 | 88% | 0.878 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 50.5 | 78.6 | 157.5 | -157.5 | 0 | 0 | 0 | 0 | 115 | S181 | S181-C183 PolarHBondContact O-N 3.32Š|
| 184 | G | 52.4 | Low | 67.5 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | trans | -174.3 | 97.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 185 | N | 45.1 | Very low | 67.6 | Low | 146 Ų | 146 | 107.1 Ų | 107.1 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | trans | 32.2 | 110.3 | 154.7 | -58.9 | 45 | 0 | 0 | 0 | 117.9 | ||||
| 186 | S | 48.3 | Very low | 67.6 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 70% | 0.699 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 20 | 122.3 | 141.2 | 56.1 | 0 | 0 | 0 | 0 | 118.5 | ||
| 187 | N | 50.4 | Low | 67.8 | Low | 159 Ų | 159 | 102.3 Ų | 102.3 | 85% | 0.85 | 57% | 0.57 | S | S | * | * | trans | 77.8 | 18 | 158.5 | -48.7 | -11.7 | 0 | 0 | 0 | 117.8 | T189 | N187-T189 PolarHBondContact O-N 3.23Å; N187-T189 VanDerWaalsContact O-N 3.07Å | ||
| 188 | S | 52.5 | Low | 68.1 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | trans | -67.9 | 110.6 | 163 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | A190 | S188-A190 PolarHBondContact O-N 2.97Š| ||
| 189 | T | 55 | Low | 68.4 | Low | 137 Ų | 137 | 100.3 Ų | 100.3 | 84% | 0.84 | 57% | 0.566 | S | S | * | * | trans | -58.6 | 84 | 153.5 | 40.5 | 0 | 0 | 0 | 0 | 106.7 | N187 R191 | N187-T189 PolarHBondContact O-N 3.23Å; N187-T189 VanDerWaalsContact O-N 3.07Å; T189-R191 PolarHBondContact O-N 3.49Å | ||
| 190 | A | 58.6 | Low | 68.9 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | trans | -62.1 | 100.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | L177 S188 T192 | L177-A190 HydrophobicContact CD2-CB 4.41Å; S188-A190 PolarHBondContact O-N 2.97Å; A190-T192 PolarHBondContact O-N 2.9Å | ||
| 191 | R | 65.4 | Low | 69.9 | Low | 236 Ų | 236 | 89.6 Ų | 89.6 | 89% | 0.891 | 52% | 0.518 | S | S | * | . | trans | -54.2 | 109.3 | 176.1 | -175.2 | 178.7 | -177.7 | 178 | 1.6 | 107.2 | T189 T193 | T189-R191 PolarHBondContact O-N 3.49Å; R191-T193 PolarHBondContact O-N 3.15Å | ||
| 192 | T | 72.2 | Confident | 71 | Confident | 31 Ų | 31 | 91.8 Ų | 91.8 | 19% | 0.19 | 52% | 0.52 | C | S | . | . | trans | -70.7 | 118.4 | -177.3 | 49.1 | 0 | 0 | 0 | 0 | 109 | D161 R173 L177 A190 N197 | D161-T192 PolarHBondContact OD1-OG1 3.43Å; R173-T192 PolarHBondContact NH2-OG1 3.47Å; L177-T192 HydrophobicContact CD1-CG2 3.65Å; L177-T192 HydrophobicContact CD2-CG2 4.01Å; L177-T192 HydrophobicContact CG-CG2 4.43Å; A190-T192 PolarHBondContact O-N 2.9Å; T192-N197 WeakPolarHBondContact CB-OD1 3.3Å | ||
| 193 | T | 80.4 | Confident | 72.4 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | trans | -76.5 | 153.3 | 175.3 | 72 | 0 | 0 | 0 | 0 | 109.6 | R191 K195 T196 N197 | R191-T193 PolarHBondContact O-N 3.15Å; T193-K195 PolarHBondContact O-N 2.99Å; T193-K195 VanDerWaalsContact O-N 3.14Å; T193-T196 WeakPolarHBondContact O-CA 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.35Å; T193-T196 PolarHBondContact O-N 3.31Å; T193-T196 PolarHBondContact OG1-N 2.79Å; T193-T196 VanDerWaalsContact OG1-N 3.1Å; T193-T196 PolarHBondContact OG1-OG1 3.26Å; T193-N197 PolarHBondContact O-N 2.99Å | ||
| 194 | K | 86 | Confident | 74.5 | Confident | 92 Ų | 92 | 83 Ų | 83 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -47.5 | -41.4 | 169.9 | -70.1 | -178.1 | 170.4 | -174.3 | 0 | 111.6 | E153 F157 T196 N197 L198 | E153-K194 IonicContact OE1-NZ 3.08Å; E153-K194 PolarHBondContact OE1-NZ 3.34Å; E153-K194 IonicContact OE2-NZ 2.75Å; F157-K194 HydrophobicContact CD1-CB 4.02Å; F157-K194 HydrophobicContact CD1-CD 4.45Å; F157-K194 HydrophobicContact CD1-CG 3.8Å; F157-K194 HydrophobicContact CD2-CD 3.61Å; F157-K194 VanDerWaalsContact CD2-CE 3.45Å; F157-K194 HydrophobicContact CD2-CG 3.87Å; F157-K194 HydrophobicContact CE1-CB 3.64Å; F157-K194 HydrophobicContact CE1-CD 4.41Å; F157-K194 HydrophobicContact CE1-CG 3.89Å; F157-K194 HydrophobicContact CE2-CB 4.24Å; F157-K194 HydrophobicContact CE2-CD 3.59Å; F157-K194 HydrophobicContact CE2-CG 3.98Å; F157-K194 HydrophobicContact CG-CB 4.48Å; F157-K194 HydrophobicContact CG-CD 4.08Å; F157-K194 HydrophobicContact CG-CG 3.8Å; F157-K194 HydrophobicContact CZ-CB 3.77Å; F157-K194 HydrophobicContact CZ-CD 4.01Å; F157-K194 HydrophobicContact CZ-CG 3.98Å; K194-T196 PolarHBondContact O-N 3.39Å; K194-N197 PolarHBondContact O-N 2.91Å; K194-L198 WeakPolarHBondContact O-CG 3.28Å; K194-L198 PolarHBondContact O-N 3.23Å |
| 195 | K | 87.3 | Confident | 76.3 | Confident | 170 Ų | 170 | 83.7 Ų | 83.7 | 74% | 0.739 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 176.8 | -175.3 | 175.2 | -178.3 | 174.7 | 0 | 112.6 | T193 S199 | T193-K195 PolarHBondContact O-N 2.99Å; T193-K195 VanDerWaalsContact O-N 3.14Å; K195-S199 PolarHBondContact O-N 2.94Å |
| 196 | T | 86.7 | Confident | 78.4 | Confident | 29 Ų | 29 | 82 Ų | 82 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 176.7 | -51.4 | 0 | 0 | 0 | 0 | 111 | Y176 L177 T193 K194 L198 S199 V200 | Y176-T196 HydrophobicContact CD1-CG2 4.05Å; Y176-T196 HydrophobicContact CE1-CG2 4Å; L177-T196 HydrophobicContact CD2-CG2 3.54Å; L177-T196 HydrophobicContact CG-CG2 4.47Å; T193-T196 WeakPolarHBondContact O-CA 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.35Å; T193-T196 PolarHBondContact O-N 3.31Å; T193-T196 PolarHBondContact OG1-N 2.79Å; T193-T196 VanDerWaalsContact OG1-N 3.1Å; T193-T196 PolarHBondContact OG1-OG1 3.26Å; K194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 3.43Å; T196-S199 PolarHBondContact O-N 3.32Å; T196-S199 VanDerWaalsContact O-N 3.09Å; T196-V200 WeakPolarHBondContact O-CG2 2.93Å; T196-V200 PolarHBondContact O-N 3.12Å |
| 197 | N | 89 | Confident | 80.3 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 3% | 0.032 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 178.5 | -75.1 | 4.5 | 0 | 0 | 0 | 111.3 | I160 D161 L164 T192 T193 K194 S199 V200 V201 | I160-N197 HydrophobicContact CG2-CB 4.11Å; D161-N197 PolarHBondContact OD1-ND2 2.93Å; L164-N197 HydrophobicContact CD1-CB 4.06Å; T192-N197 WeakPolarHBondContact CB-OD1 3.3Å; T193-N197 PolarHBondContact O-N 2.99Å; K194-N197 PolarHBondContact O-N 2.91Å; N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 2.8Å; N197-V200 PolarHBondContact O-N 3.39Å; N197-V201 WeakPolarHBondContact O-CG2 3.48Å; N197-V201 PolarHBondContact O-N 2.93Å |
| 198 | L | 91.1 | Very high | 82.1 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 174.8 | -72.5 | 176.8 | 0 | 0 | 0 | 112.4 | F157 K194 T196 V201 H202 | F157-L198 HydrophobicContact CE1-CD1 4.24Å; F157-L198 HydrophobicContact CE1-CD2 4.01Å; F157-L198 HydrophobicContact CE1-CG 3.83Å; F157-L198 HydrophobicContact CZ-CD1 4Å; F157-L198 HydrophobicContact CZ-CD2 4.24Å; F157-L198 HydrophobicContact CZ-CG 4.08Å; K194-L198 WeakPolarHBondContact O-CG 3.28Å; K194-L198 PolarHBondContact O-N 3.23Å; T196-L198 PolarHBondContact O-N 3.43Å; L198-V201 PolarHBondContact O-N 3.13Å; L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 2.92Å; L198-H202 PolarHBondContact O-N 3.22Å |
| 199 | S | 89.6 | Confident | 83.8 | Confident | 33 Ų | 33 | 83 Ų | 83 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.2 | -33.7 | 179.2 | -168.1 | 0 | 0 | 0 | 0 | 113 | Y176 K195 T196 N197 T203 | Y176-S199 WeakPolarHBondContact OH-CB 3.41Å; Y176-S199 PolarHBondContact OH-OG 3.18Å; K195-S199 PolarHBondContact O-N 2.94Å; T196-S199 PolarHBondContact O-N 3.32Å; T196-S199 VanDerWaalsContact O-N 3.09Å; N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 2.8Å; S199-T203 WeakPolarHBondContact O-CB 3.28Å; S199-T203 PolarHBondContact O-N 3.44Å; S199-T203 PolarHBondContact O-OG1 2.78Å |
| 200 | V | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 172.9 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | L164 I172 R173 Y176 T196 N197 H202 T203 I204 | L164-V200 HydrophobicContact CD1-CB 4.25Å; L164-V200 HydrophobicContact CD1-CG1 4.11Å; L164-V200 HydrophobicContact CD2-CG1 3.85Å; I172-V200 HydrophobicContact CG2-CG1 4.46Å; R173-V200 HydrophobicContact CB-CG1 4.21Å; Y176-V200 HydrophobicContact CD1-CG2 3.51Å; Y176-V200 HydrophobicContact CD2-CG2 4.18Å; Y176-V200 HydrophobicContact CE1-CG2 4.14Å; Y176-V200 HydrophobicContact CG-CG2 3.56Å; T196-V200 WeakPolarHBondContact O-CG2 2.93Å; T196-V200 PolarHBondContact O-N 3.12Å; N197-V200 PolarHBondContact O-N 3.39Å; V200-H202 PolarHBondContact O-N 3.34Å; V200-T203 WeakPolarHBondContact O-CA 3.31Å; V200-T203 WeakPolarHBondContact O-CB 3.44Å; V200-T203 PolarHBondContact O-N 3.49Å; V200-T203 VanDerWaalsContact O-N 3.08Å; V200-I204 HydrophobicContact CG1-CD1 3.71Å; V200-I204 HydrophobicContact CG1-CG1 4.45Å; V200-I204 WeakPolarHBondContact O-CG1 3.19Å; V200-I204 PolarHBondContact O-N 3.35Å |
| 201 | V | 92.8 | Very high | 86.5 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.6 | -50.2 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | I160 L164 N197 L198 T203 I204 V205 | I160-V201 HydrophobicContact CG2-CG2 3.67Å; L164-V201 HydrophobicContact CD1-CG2 4.08Å; L164-V201 HydrophobicContact CD2-CG2 4.26Å; L164-V201 HydrophobicContact CG-CG2 4.39Å; N197-V201 WeakPolarHBondContact O-CG2 3.48Å; N197-V201 PolarHBondContact O-N 2.93Å; L198-V201 PolarHBondContact O-N 3.13Å; V201-T203 PolarHBondContact O-N 3.46Å; V201-I204 PolarHBondContact O-N 3.48Å; V201-I204 VanDerWaalsContact O-N 3.16Å; V201-V205 HydrophobicContact CG1-CG2 4.21Å; V201-V205 WeakPolarHBondContact O-CG2 3.49Å; V201-V205 PolarHBondContact O-N 2.07Å |
| 202 | H | 90.9 | Very high | 87.7 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 56% | 0.56 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.5 | -39.2 | 177.7 | 177.3 | -88.7 | 0 | 0 | 0 | 112 | L198 V200 R206 | L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 2.92Å; L198-H202 PolarHBondContact O-N 3.22Å; V200-H202 PolarHBondContact O-N 3.34Å; H202-R206 VanDerWaalsContact O-CB 3.29Å; H202-R206 WeakPolarHBondContact O-CB 3.3Å; H202-R206 PolarHBondContact O-N 3.15Å |
| 203 | T | 89.1 | Confident | 88.4 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 177 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | S199 V200 V201 V205 R206 F207 | S199-T203 WeakPolarHBondContact O-CB 3.28Å; S199-T203 PolarHBondContact O-N 3.44Å; S199-T203 PolarHBondContact O-OG1 2.78Å; V200-T203 WeakPolarHBondContact O-CA 3.31Å; V200-T203 WeakPolarHBondContact O-CB 3.44Å; V200-T203 PolarHBondContact O-N 3.49Å; V200-T203 VanDerWaalsContact O-N 3.08Å; V201-T203 PolarHBondContact O-N 3.46Å; T203-V205 PolarHBondContact O-N 2.98Å; T203-R206 PolarHBondContact O-N 3.26Å; T203-F207 HydrophobicContact CG2-CD2 3.67Å; T203-F207 HydrophobicContact CG2-CE2 3.47Å; T203-F207 VanDerWaalsContact CG2-CE2 3.47Å; T203-F207 WeakPolarHBondContact O-CD2 3.37Å; T203-F207 PolarHBondContact O-N 3.43Å |
| 204 | I | 90.5 | Very high | 88.7 | Confident | 34 Ų | 34 | 77 Ų | 77 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 177.1 | -67.2 | 158.3 | 0 | 0 | 0 | 110.7 | L164 L169 I172 V200 V201 R206 F207 R208 | L164-I204 HydrophobicContact CD2-CD1 3.53Å; L169-I204 HydrophobicContact CB-CD1 4.47Å; L169-I204 HydrophobicContact CD2-CD1 3.91Å; L169-I204 HydrophobicContact CD2-CG1 4.32Å; L169-I204 HydrophobicContact CD2-CG2 4.06Å; I172-I204 HydrophobicContact CD1-CG1 4.02Å; I172-I204 HydrophobicContact CG2-CG1 4.04Å; V200-I204 HydrophobicContact CG1-CD1 3.71Å; V200-I204 HydrophobicContact CG1-CG1 4.45Å; V200-I204 WeakPolarHBondContact O-CG1 3.19Å; V200-I204 PolarHBondContact O-N 3.35Å; V201-I204 PolarHBondContact O-N 3.48Å; V201-I204 VanDerWaalsContact O-N 3.16Å; I204-R206 VanDerWaalsContact C-N 3.33Å; I204-R206 PolarHBondContact O-N 3.32Å; I204-F207 PolarHBondContact O-N 3.13Å; I204-R208 PolarHBondContact O-N 3.19Å |
| 205 | V | 91.1 | Very high | 88.8 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V201 T203 F207 R208 I209 | V201-V205 HydrophobicContact CG1-CG2 4.21Å; V201-V205 WeakPolarHBondContact O-CG2 3.49Å; V201-V205 PolarHBondContact O-N 2.07Å; T203-V205 PolarHBondContact O-N 2.98Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.45Å; V205-R208 PolarHBondContact O-N 3.07Å; V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.04Å |
| 206 | R | 88.7 | Confident | 88.9 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.3 | -172.5 | -178.9 | -176 | -168.7 | 0.5 | 112.1 | H202 T203 I204 K210 | H202-R206 VanDerWaalsContact O-CB 3.29Å; H202-R206 WeakPolarHBondContact O-CB 3.3Å; H202-R206 PolarHBondContact O-N 3.15Å; T203-R206 PolarHBondContact O-N 3.26Å; I204-R206 VanDerWaalsContact C-N 3.33Å; I204-R206 PolarHBondContact O-N 3.32Å; R206-K210 WeakPolarHBondContact O-CG 3.37Å; R206-K210 PolarHBondContact O-N 3.07Å; R206-K210 VanDerWaalsContact O-N 3.11Å |
| 207 | F | 87.5 | Confident | 88.9 | Confident | 133 Ų | 133 | 73.7 Ų | 73.7 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 176.3 | -83.9 | -69.6 | 0 | 0 | 0 | 112 | T203 I204 V205 I209 K210 E211 | T203-F207 HydrophobicContact CG2-CD2 3.67Å; T203-F207 HydrophobicContact CG2-CE2 3.47Å; T203-F207 VanDerWaalsContact CG2-CE2 3.47Å; T203-F207 WeakPolarHBondContact O-CD2 3.37Å; T203-F207 PolarHBondContact O-N 3.43Å; I204-F207 PolarHBondContact O-N 3.13Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.45Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.05Å; F207-K210 WeakPolarHBondContact O-CB 3.48Å; F207-K210 PolarHBondContact O-N 3.28Å; F207-K210 VanDerWaalsContact O-N 3.14Å; F207-E211 PolarHBondContact O-N 2.83Å |
| 208 | R | 89.3 | Confident | 88.9 | Confident | 151 Ų | 151 | 77.4 Ų | 77.4 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 179.2 | -171.6 | 59.5 | 174.7 | 169.6 | 3.9 | 112.4 | I204 V205 K210 E211 Y212 | I204-R208 PolarHBondContact O-N 3.19Å; V205-R208 PolarHBondContact O-N 3.07Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-E211 WeakPolarHBondContact CD-OE2 3.44Å; R208-E211 IonicContact CZ-OE2 2.78Å; R208-E211 IonicContact NH1-OE1 2.69Å; R208-E211 IonicContact NH1-OE2 3.56Å; R208-E211 PolarHBondContact NH1-OE2 3.41Å; R208-E211 PolarHBondContact O-N 2.94Å; R208-Y212 WeakPolarHBondContact O-CB 3.28Å; R208-Y212 PolarHBondContact O-N 2.97Å |
| 209 | I | 87.2 | Confident | 88.9 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 173.7 | -67.8 | 167.4 | 0 | 0 | 0 | 110.4 | V205 F207 Y212 L213 | V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.04Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.05Å; I209-Y212 PolarHBondContact O-N 3.07Å; I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.44Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.14Å |
| 210 | K | 85.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 80.4 Ų | 80.4 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 177.2 | -78.8 | -177.5 | 168.3 | -166.5 | 0 | 112.2 | R206 F207 R208 L213 I214 D264 L265 | R206-K210 WeakPolarHBondContact O-CG 3.37Å; R206-K210 PolarHBondContact O-N 3.07Å; R206-K210 VanDerWaalsContact O-N 3.11Å; F207-K210 WeakPolarHBondContact O-CB 3.48Å; F207-K210 PolarHBondContact O-N 3.28Å; F207-K210 VanDerWaalsContact O-N 3.14Å; R208-K210 VanDerWaalsContact C-N 3.34Å; K210-L213 PolarHBondContact O-N 3.11Å; K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 2.92Å; K210-D264 IonicContact NZ-OD2 3.74Å; K210-D264 PolarHBondContact NZ-OD2 3.03Å; K210-L265 HydrophobicContact CB-CD2 4.35Å; K210-L265 HydrophobicContact CG-CD2 4.47Å |
| 211 | E | 86.4 | Confident | 88.9 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 177.1 | -175.2 | 179.3 | -146.3 | 0 | 0 | 111.2 | F207 R208 L213 I214 E215 | F207-E211 PolarHBondContact O-N 2.83Å; R208-E211 WeakPolarHBondContact CD-OE2 3.44Å; R208-E211 IonicContact CZ-OE2 2.78Å; R208-E211 IonicContact NH1-OE1 2.69Å; R208-E211 IonicContact NH1-OE2 3.56Å; R208-E211 PolarHBondContact NH1-OE2 3.41Å; R208-E211 PolarHBondContact O-N 2.94Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.73Å; E211-I214 WeakPolarHBondContact O-CB 3.45Å; E211-I214 PolarHBondContact O-N 3.44Å; E211-E215 PolarHBondContact O-N 2.82Å |
| 212 | Y | 89.5 | Confident | 88.9 | Confident | 140 Ų | 140 | 86.1 Ų | 86.1 | 55% | 0.549 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 175.5 | 179.3 | -101.6 | 0 | 0 | 0 | 112.8 | R208 I209 I214 E215 L216 | R208-Y212 WeakPolarHBondContact O-CB 3.28Å; R208-Y212 PolarHBondContact O-N 2.97Å; I209-Y212 PolarHBondContact O-N 3.07Å; Y212-I214 VanDerWaalsContact C-N 3.34Å; Y212-I214 PolarHBondContact O-N 3.43Å; Y212-E215 PolarHBondContact O-N 2.91Å; Y212-L216 HydrophobicContact CE1-CD2 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.04Å |
| 213 | L | 87.4 | Confident | 89 | Confident | 71 Ų | 71 | 83.9 Ų | 83.9 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 176.6 | -70.8 | 174.3 | 0 | 0 | 0 | 112.8 | I209 K210 E211 R217 L265 | I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.44Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.14Å; K210-L213 PolarHBondContact O-N 3.11Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.73Å; L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.73Å; L213-L265 HydrophobicContact CB-CD2 4.33Å; L213-L265 HydrophobicContact CD1-CD1 4.43Å |
| 214 | I | 85.9 | Confident | 89.2 | Confident | 60 Ų | 60 | 83 Ų | 83 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67 | -50.2 | 173.8 | -66.4 | 166.4 | 0 | 0 | 0 | 109.5 | K210 E211 Y212 L216 R217 E218 L265 | K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 2.92Å; E211-I214 WeakPolarHBondContact O-CB 3.45Å; E211-I214 PolarHBondContact O-N 3.44Å; Y212-I214 VanDerWaalsContact C-N 3.34Å; Y212-I214 PolarHBondContact O-N 3.43Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.97Å; I214-R217 WeakPolarHBondContact O-CB 3.08Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; I214-E218 PolarHBondContact O-N 3.15Å; I214-L265 HydrophobicContact CD1-CD2 4.21Å; I214-L265 HydrophobicContact CG1-CD2 3.69Å |
| 215 | E | 88.1 | Confident | 89.3 | Confident | 96 Ų | 96 | 83.2 Ų | 83.2 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 177.7 | -70.7 | 177.9 | -179 | 0 | 0 | 111.8 | E211 Y212 R217 E218 H219 | E211-E215 PolarHBondContact O-N 2.82Å; Y212-E215 PolarHBondContact O-N 2.91Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 2.74Å; E215-E218 PolarHBondContact O-N 2.84Å; E215-H219 WeakPolarHBondContact O-CB 3.44Å; E215-H219 PolarHBondContact O-N 3.06Å |
| 216 | L | 89.3 | Confident | 89.4 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.9 | -177.8 | 63.2 | 0 | 0 | 0 | 111.6 | Y212 I214 H219 I220 | Y212-L216 HydrophobicContact CE1-CD2 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.04Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.97Å; L216-H219 PolarHBondContact O-N 3.34Å; L216-I220 HydrophobicContact CG-CD1 4.21Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3Å |
| 217 | R | 86.9 | Confident | 89.6 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 177.1 | -177 | -179.9 | 180 | -138.5 | -3.2 | 111.6 | L213 I214 E215 H219 I220 H221 E270 | L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.73Å; I214-R217 WeakPolarHBondContact O-CB 3.08Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 2.74Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 3.04Å; R217-I220 PolarHBondContact O-N 3Å; R217-H221 PolarHBondContact O-CD2 2.98Å; R217-H221 PolarHBondContact O-N 3.45Å; R217-E270 IonicContact CZ-OE1 3.2Å; R217-E270 IonicContact CZ-OE2 3.81Å; R217-E270 IonicContact NH1-OE1 2.7Å; R217-E270 PolarHBondContact NH1-OE1 3.03Å; R217-E270 IonicContact NH1-OE2 2.88Å; R217-E270 PolarHBondContact NH1-OE2 3.03Å; R217-E270 IonicContact NH2-OE1 2.8Å; R217-E270 PolarHBondContact NH2-OE1 3.11Å; R217-E270 IonicContact NH2-OE2 3.56Å; R217-E270 PolarHBondContact NH2-OE2 3.38Å |
| 218 | E | 89.3 | Confident | 89.9 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.8 | -71.5 | -176.2 | 176.7 | 0 | 0 | 111.9 | I214 E215 H221 R222 | I214-E218 PolarHBondContact O-N 3.15Å; E215-E218 PolarHBondContact O-N 2.84Å; E218-H221 PolarHBondContact O-N 3.23Å; E218-R222 WeakPolarHBondContact O-CG 3.33Å; E218-R222 PolarHBondContact O-N 3.37Å; E218-R222 IonicContact OE2-CZ 2.62Å; E218-R222 IonicContact OE2-NH2 3.49Å; E218-R222 PolarHBondContact OE2-NH2 2.93Å |
| 219 | H | 90.7 | Very high | 90.1 | Very high | 108 Ų | 108 | 74.6 Ų | 74.6 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.9 | 179.5 | 70.1 | 0 | 0 | 0 | 112.1 | E215 L216 R217 H221 R222 T223 | E215-H219 WeakPolarHBondContact O-CB 3.44Å; E215-H219 PolarHBondContact O-N 3.06Å; L216-H219 PolarHBondContact O-N 3.34Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 3.04Å; H219-H221 VanDerWaalsContact C-N 3.33Å; H219-H221 PolarHBondContact O-N 3.15Å; H219-R222 PolarHBondContact O-N 3.07Å; H219-T223 WeakPolarHBondContact O-CB 3.16Å; H219-T223 PolarHBondContact O-N 3.25Å; H219-T223 PolarHBondContact O-OG1 2.95Å |
| 220 | I | 89.6 | Confident | 90.3 | Very high | 79 Ų | 79 | 76 Ų | 76 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.2 | -68.8 | 164.9 | 0 | 0 | 0 | 110.1 | L216 R217 T223 L224 | L216-I220 HydrophobicContact CG-CD1 4.21Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3Å; R217-I220 PolarHBondContact O-N 3Å; I220-T223 PolarHBondContact O-N 3.25Å; I220-L224 HydrophobicContact CG2-CD1 3.85Å; I220-L224 HydrophobicContact CG2-CG 4.24Å; I220-L224 WeakPolarHBondContact O-CB 3.44Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.46Å |
| 221 | H | 91.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 14% | 0.139 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.8 | -74.3 | -174.2 | 0 | 0 | 0 | 112.7 | R217 E218 H219 T223 L224 D225 R240 | R217-H221 PolarHBondContact O-CD2 2.98Å; R217-H221 PolarHBondContact O-N 3.45Å; E218-H221 PolarHBondContact O-N 3.23Å; H219-H221 VanDerWaalsContact C-N 3.33Å; H219-H221 PolarHBondContact O-N 3.15Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.88Å; H221-L224 PolarHBondContact O-N 3.42Å; H221-D225 WeakPolarHBondContact O-CB 3.46Å; H221-D225 VanDerWaalsContact O-CG 3.22Å; H221-D225 PolarHBondContact O-N 3.38Å; H221-D225 VanDerWaalsContact O-OD2 3.09Å; H221-R240 PolarHBondContact ND1-NH2 3.25Å; H221-R240 VanDerWaalsContact ND1-NH2 3.19Å |
| 222 | R | 92.5 | Very high | 90.7 | Very high | 137 Ų | 137 | 75.2 Ų | 75.2 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.5 | -69.2 | 177.1 | -161.4 | 116.4 | 8.3 | 111.3 | E218 H219 D225 T226 | E218-R222 WeakPolarHBondContact O-CG 3.33Å; E218-R222 PolarHBondContact O-N 3.37Å; E218-R222 IonicContact OE2-CZ 2.62Å; E218-R222 IonicContact OE2-NH2 3.49Å; E218-R222 PolarHBondContact OE2-NH2 2.93Å; H219-R222 PolarHBondContact O-N 3.07Å; R222-D225 PolarHBondContact O-N 2.75Å; R222-T226 PolarHBondContact O-N 3.47Å; R222-T226 PolarHBondContact O-OG1 2.68Å |
| 223 | T | 93.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | H219 I220 H221 T226 L227 | H219-T223 WeakPolarHBondContact O-CB 3.16Å; H219-T223 PolarHBondContact O-N 3.25Å; H219-T223 PolarHBondContact O-OG1 2.95Å; I220-T223 PolarHBondContact O-N 3.25Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.88Å; T223-T226 PolarHBondContact O-N 3.4Å; T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 PolarHBondContact O-N 3.2Å |
| 224 | L | 92.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 79.5 Ų | 79.5 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.1 | -71.3 | 174.5 | 0 | 0 | 0 | 111.8 | I220 H221 L227 F228 R240 A244 L248 | I220-L224 HydrophobicContact CG2-CD1 3.85Å; I220-L224 HydrophobicContact CG2-CG 4.24Å; I220-L224 WeakPolarHBondContact O-CB 3.44Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.46Å; H221-L224 PolarHBondContact O-N 3.42Å; L224-L227 PolarHBondContact O-N 3.26Å; L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.04Å; L224-F228 HydrophobicContact CD2-CE2 4.16Å; L224-F228 HydrophobicContact CD2-CZ 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.47Å; L224-R240 HydrophobicContact CB-CG 3.94Å; L224-R240 HydrophobicContact CD1-CG 4.31Å; L224-A244 HydrophobicContact CD1-CB 4.08Å; L224-L248 HydrophobicContact CD2-CD1 3.4Å; L224-L248 VanDerWaalsContact CD2-CD1 3.4Å |
| 225 | D | 92.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 78 Ų | 78 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 175.8 | -73.6 | -39.4 | 0 | 0 | 0 | 110.5 | H221 R222 F228 H229 Y235 R240 | H221-D225 WeakPolarHBondContact O-CB 3.46Å; H221-D225 VanDerWaalsContact O-CG 3.22Å; H221-D225 PolarHBondContact O-N 3.38Å; H221-D225 VanDerWaalsContact O-OD2 3.09Å; R222-D225 PolarHBondContact O-N 2.75Å; D225-F228 PolarHBondContact O-N 2.87Å; D225-H229 WeakPolarHBondContact O-CB 3.3Å; D225-H229 PolarHBondContact O-N 3.03Å; D225-Y235 HydrophobicContact CB-CE1 4.13Å; D225-Y235 WeakPolarHBondContact OD1-CE1 3.45Å; D225-Y235 PolarHBondContact OD1-OH 3.45Å; D225-R240 WeakPolarHBondContact OD1-CD 3.17Å; D225-R240 IonicContact OD1-NH1 2.86Å; D225-R240 PolarHBondContact OD1-NH1 2.73Å; D225-R240 IonicContact OD2-CZ 3.75Å; D225-R240 IonicContact OD2-NH1 3.96Å; D225-R240 PolarHBondContact OD2-NH1 3.41Å |
| 226 | T | 93.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 78 Ų | 78 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | R222 T223 N230 | R222-T226 PolarHBondContact O-N 3.47Å; R222-T226 PolarHBondContact O-OG1 2.68Å; T223-T226 PolarHBondContact O-N 3.4Å; T226-N230 VanDerWaalsContact O-CG 3.27Å; T226-N230 PolarHBondContact O-N 2.71Å; T226-N230 PolarHBondContact O-ND2 3.25Å |
| 227 | L | 93.3 | Very high | 90.9 | Very high | 70 Ų | 70 | 77.3 Ų | 77.3 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 178.3 | -179.2 | 68.1 | 0 | 0 | 0 | 111.2 | T223 L224 N230 L231 L248 | T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 PolarHBondContact O-N 3.2Å; L224-L227 PolarHBondContact O-N 3.26Å; L227-N230 PolarHBondContact O-N 2.95Å; L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CG-CD1 3.83Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-L231 VanDerWaalsContact O-N 3.16Å; L227-L248 HydrophobicContact CD2-CD1 4.4Å |
| 228 | F | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.9 | -31.9 | -176.6 | -62.8 | -38.5 | 0 | 0 | 0 | 113.4 | L224 D225 N230 L231 I232 Y235 R240 L243 A244 I247 L248 | L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.04Å; L224-F228 HydrophobicContact CD2-CE2 4.16Å; L224-F228 HydrophobicContact CD2-CZ 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.47Å; D225-F228 PolarHBondContact O-N 2.87Å; F228-N230 PolarHBondContact O-N 3.1Å; F228-L231 HydrophobicContact CD1-CD1 4.32Å; F228-L231 PolarHBondContact O-N 3.35Å; F228-L231 VanDerWaalsContact O-N 3.12Å; F228-I232 PolarHBondContact O-N 3.03Å; F228-Y235 HydrophobicContact CB-CD1 4.37Å; F228-Y235 HydrophobicContact CB-CD2 3.42Å; F228-Y235 VanDerWaalsContact CB-CD2 3.42Å; F228-Y235 HydrophobicContact CB-CE1 4.29Å; F228-Y235 HydrophobicContact CB-CE2 3.32Å; F228-Y235 HydrophobicContact CB-CG 3.96Å; F228-Y235 AromaticContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CG-CD2 4.4Å; F228-Y235 AromaticContact CG-CE2 3.95Å; F228-Y235 HydrophobicContact CG-CE2 3.95Å; F228-R240 HydrophobicContact CD2-CG 4.33Å; F228-R240 HydrophobicContact CE2-CG 4.22Å; F228-L243 HydrophobicContact CD1-CB 4.42Å; F228-L243 HydrophobicContact CD2-CB 4.04Å; F228-L243 HydrophobicContact CD2-CD1 4.29Å; F228-L243 HydrophobicContact CE1-CB 4.16Å; F228-L243 HydrophobicContact CE2-CB 3.72Å; F228-L243 HydrophobicContact CG-CB 4.39Å; F228-L243 HydrophobicContact CG-CD1 4.31Å; F228-L243 HydrophobicContact CZ-CB 3.8Å; F228-A244 HydrophobicContact CE2-CB 4.3Å; F228-A244 HydrophobicContact CZ-CB 4.26Å; F228-I247 HydrophobicContact CD1-CD1 4.12Å; F228-I247 HydrophobicContact CE1-CB 4.42Å; F228-I247 HydrophobicContact CE1-CD1 3.78Å; F228-L248 HydrophobicContact CZ-CD1 4.36Å |
| 229 | H | 92.8 | Very high | 90.9 | Very high | 130 Ų | 130 | 80.7 Ų | 80.7 | 60% | 0.602 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 172.3 | -164.7 | 70.9 | 0 | 0 | 0 | 111.9 | D225 Y235 | D225-H229 WeakPolarHBondContact O-CB 3.3Å; D225-H229 PolarHBondContact O-N 3.03Å; H229-Y235 HydrophobicContact CB-CD1 4.05Å |
| 230 | N | 91.4 | Very high | 90.8 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.1 | -22.7 | 174.8 | -67.5 | -31.1 | 0 | 0 | 0 | 113.5 | T226 L227 F228 | T226-N230 VanDerWaalsContact O-CG 3.27Å; T226-N230 PolarHBondContact O-N 2.71Å; T226-N230 PolarHBondContact O-ND2 3.25Å; L227-N230 PolarHBondContact O-N 2.95Å; F228-N230 PolarHBondContact O-N 3.1Å |
| 231 | L | 90.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 76.4 Ų | 76.4 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -94.8 | -30.2 | -177.3 | -67.5 | 171.3 | 0 | 0 | 0 | 113.8 | L227 F228 L355 | L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CG-CD1 3.83Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-L231 VanDerWaalsContact O-N 3.16Å; F228-L231 HydrophobicContact CD1-CD1 4.32Å; F228-L231 PolarHBondContact O-N 3.35Å; F228-L231 VanDerWaalsContact O-N 3.12Å; L231-L355 HydrophobicContact CD2-CD1 3.47Å; L231-L355 VanDerWaalsContact CD2-CD1 3.47Å; L231-L355 HydrophobicContact CD2-CG 4.16Å |
| 232 | I | 89.3 | Confident | 90.4 | Very high | 57 Ų | 57 | 78.4 Ų | 78.4 | 29% | 0.292 | 40% | 0.4 | S | S | . | . | trans | -126.8 | 117.3 | -169.7 | -57.6 | 171 | 0 | 0 | 0 | 109.5 | F228 N234 Y235 L243 | F228-I232 PolarHBondContact O-N 3.03Å; I232-N234 PolarHBondContact O-N 3.35Å; I232-N234 VanDerWaalsContact O-N 3.14Å; I232-Y235 WeakPolarHBondContact O-CB 3.34Å; I232-Y235 PolarHBondContact O-N 3.07Å; I232-L243 HydrophobicContact CD1-CD1 3.62Å; I232-L243 HydrophobicContact CD1-CD2 3.69Å; I232-L243 HydrophobicContact CD1-CG 4.29Å | ||
| 233 | E | 85.4 | Confident | 90.2 | Very high | 162 Ų | 162 | 73.1 Ų | 73.1 | 76% | 0.757 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.6 | -174.7 | -65.5 | 176.5 | 178.7 | 0 | 0 | 114.6 | ||
| 234 | N | 89.1 | Confident | 89.9 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 45.4 | 177.7 | -63.7 | -64 | 0 | 0 | 0 | 111.4 | I232 E236 | I232-N234 PolarHBondContact O-N 3.35Å; I232-N234 VanDerWaalsContact O-N 3.14Å; N234-E236 PolarHBondContact O-N 2.7Å |
| 235 | Y | 92.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | trans | -64.3 | 131.3 | 178.5 | 177.7 | -111.2 | 0 | 0 | 0 | 112 | D225 F228 H229 I232 R240 L243 | D225-Y235 HydrophobicContact CB-CE1 4.13Å; D225-Y235 WeakPolarHBondContact OD1-CE1 3.45Å; D225-Y235 PolarHBondContact OD1-OH 3.45Å; F228-Y235 HydrophobicContact CB-CD1 4.37Å; F228-Y235 HydrophobicContact CB-CD2 3.42Å; F228-Y235 VanDerWaalsContact CB-CD2 3.42Å; F228-Y235 HydrophobicContact CB-CE1 4.29Å; F228-Y235 HydrophobicContact CB-CE2 3.32Å; F228-Y235 HydrophobicContact CB-CG 3.96Å; F228-Y235 AromaticContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CG-CD2 4.4Å; F228-Y235 AromaticContact CG-CE2 3.95Å; F228-Y235 HydrophobicContact CG-CE2 3.95Å; H229-Y235 HydrophobicContact CB-CD1 4.05Å; I232-Y235 WeakPolarHBondContact O-CB 3.34Å; I232-Y235 PolarHBondContact O-N 3.07Å; Y235-R240 WeakPolarHBondContact OH-CB 3.43Å; Y235-R240 WeakPolarHBondContact OH-CG 3.5Å; Y235-L243 HydrophobicContact CD2-CD1 3.79Å; Y235-L243 HydrophobicContact CE2-CD1 3.65Å | ||
| 236 | E | 90.1 | Very high | 89.3 | Confident | 94 Ų | 94 | 77 Ų | 77 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | trans | -123.3 | 135.5 | 167.7 | -65.5 | -171.9 | -128.7 | 0 | 0 | 110 | N234 K238 F239 | N234-E236 PolarHBondContact O-N 2.7Å; E236-K238 HydrophobicContact CB-CD 4.38Å; E236-K238 HydrophobicContact CB-CG 3.98Å; E236-K238 VanDerWaalsContact CD-CE 3.42Å; E236-K238 PolarHBondContact O-N 2.92Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.5Å; E236-K238 VanDerWaalsContact OE2-CD 3.24Å; E236-K238 WeakPolarHBondContact OE2-CD 3.36Å; E236-K238 WeakPolarHBondContact OE2-CE 3.37Å; E236-K238 IonicContact OE2-NZ 3.34Å; E236-K238 PolarHBondContact OE2-NZ 2.86Å; E236-F239 HydrophobicContact CB-CD2 3.89Å; E236-F239 HydrophobicContact CB-CE2 4.13Å; E236-F239 HydrophobicContact CG-CE2 4.49Å; E236-F239 PolarHBondContact O-N 3.25Å | ||
| 237 | A | 88.5 | Confident | 89 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -57.6 | -19.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F239 R240 | A237-F239 PolarHBondContact O-N 3.43Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 PolarHBondContact O-N 3.39Å |
| 238 | K | 88.8 | Confident | 88.6 | Confident | 116 Ų | 116 | 77.8 Ų | 77.8 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.7 | -23 | 174.1 | 72.9 | -171.4 | -176.5 | -155 | 0 | 113.3 | E236 | E236-K238 HydrophobicContact CB-CD 4.38Å; E236-K238 HydrophobicContact CB-CG 3.98Å; E236-K238 VanDerWaalsContact CD-CE 3.42Å; E236-K238 PolarHBondContact O-N 2.92Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.5Å; E236-K238 VanDerWaalsContact OE2-CD 3.24Å; E236-K238 WeakPolarHBondContact OE2-CD 3.36Å; E236-K238 WeakPolarHBondContact OE2-CE 3.37Å; E236-K238 IonicContact OE2-NZ 3.34Å; E236-K238 PolarHBondContact OE2-NZ 2.86Å |
| 239 | F | 86.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -95.7 | -3.2 | 179 | -58.9 | -59.7 | 0 | 0 | 0 | 113.1 | E236 A237 D241 S242 L243 | E236-F239 HydrophobicContact CB-CD2 3.89Å; E236-F239 HydrophobicContact CB-CE2 4.13Å; E236-F239 HydrophobicContact CG-CE2 4.49Å; E236-F239 PolarHBondContact O-N 3.25Å; A237-F239 PolarHBondContact O-N 3.43Å; F239-D241 PolarHBondContact O-N 2.86Å; F239-S242 WeakPolarHBondContact O-CB 3.4Å; F239-S242 PolarHBondContact O-N 2.94Å; F239-S242 VanDerWaalsContact O-N 3.16Å; F239-L243 HydrophobicContact CB-CD1 3.87Å; F239-L243 HydrophobicContact CB-CG 4.21Å; F239-L243 WeakPolarHBondContact O-CB 3.33Å; F239-L243 WeakPolarHBondContact O-CG 3.43Å; F239-L243 PolarHBondContact O-N 3.06Å |
| 240 | R | 89.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 13% | 0.125 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -49.2 | -53.9 | -175.3 | -173.4 | 179.8 | 50.4 | -119.7 | -8.9 | 112.6 | H221 L224 D225 F228 Y235 A237 S242 L243 A244 | H221-R240 PolarHBondContact ND1-NH2 3.25Å; H221-R240 VanDerWaalsContact ND1-NH2 3.19Å; L224-R240 HydrophobicContact CB-CG 3.94Å; L224-R240 HydrophobicContact CD1-CG 4.31Å; D225-R240 WeakPolarHBondContact OD1-CD 3.17Å; D225-R240 IonicContact OD1-NH1 2.86Å; D225-R240 PolarHBondContact OD1-NH1 2.73Å; D225-R240 IonicContact OD2-CZ 3.75Å; D225-R240 IonicContact OD2-NH1 3.96Å; D225-R240 PolarHBondContact OD2-NH1 3.41Å; F228-R240 HydrophobicContact CD2-CG 4.33Å; F228-R240 HydrophobicContact CE2-CG 4.22Å; Y235-R240 WeakPolarHBondContact OH-CB 3.43Å; Y235-R240 WeakPolarHBondContact OH-CG 3.5Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 PolarHBondContact O-N 3.39Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-S242 PolarHBondContact O-N 2.75Å; R240-L243 PolarHBondContact O-N 2.9Å; R240-A244 VanDerWaalsContact O-CB 3.24Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.19Å |
| 241 | D | 85.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 34% | 0.342 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.7 | -34.9 | -173.6 | -57.7 | -16.2 | 0 | 0 | 0 | 111.3 | F239 T245 | F239-D241 PolarHBondContact O-N 2.86Å; D241-T245 WeakPolarHBondContact O-CB 3.28Å; D241-T245 PolarHBondContact O-N 3.32Å; D241-T245 PolarHBondContact O-OG1 3.39Å |
| 242 | S | 86.8 | Confident | 85.2 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 51% | 0.51 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | F239 R240 T245 E246 | F239-S242 WeakPolarHBondContact O-CB 3.4Å; F239-S242 PolarHBondContact O-N 2.94Å; F239-S242 VanDerWaalsContact O-N 3.16Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-S242 PolarHBondContact O-N 2.75Å; S242-T245 WeakPolarHBondContact O-CB 3.45Å; S242-T245 PolarHBondContact O-N 2.89Å; S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 PolarHBondContact O-N 2.89Å |
| 243 | L | 88.2 | Confident | 83.8 | Confident | 25 Ų | 25 | 85.8 Ų | 85.8 | 13% | 0.131 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 178.8 | -71.5 | 167.7 | 0 | 0 | 0 | 112.1 | F228 I232 Y235 F239 R240 T245 E246 I247 | F228-L243 HydrophobicContact CD1-CB 4.42Å; F228-L243 HydrophobicContact CD2-CB 4.04Å; F228-L243 HydrophobicContact CD2-CD1 4.29Å; F228-L243 HydrophobicContact CE1-CB 4.16Å; F228-L243 HydrophobicContact CE2-CB 3.72Å; F228-L243 HydrophobicContact CG-CB 4.39Å; F228-L243 HydrophobicContact CG-CD1 4.31Å; F228-L243 HydrophobicContact CZ-CB 3.8Å; I232-L243 HydrophobicContact CD1-CD1 3.62Å; I232-L243 HydrophobicContact CD1-CD2 3.69Å; I232-L243 HydrophobicContact CD1-CG 4.29Å; Y235-L243 HydrophobicContact CD2-CD1 3.79Å; Y235-L243 HydrophobicContact CE2-CD1 3.65Å; F239-L243 HydrophobicContact CB-CD1 3.87Å; F239-L243 HydrophobicContact CB-CG 4.21Å; F239-L243 WeakPolarHBondContact O-CB 3.33Å; F239-L243 WeakPolarHBondContact O-CG 3.43Å; F239-L243 PolarHBondContact O-N 3.06Å; R240-L243 PolarHBondContact O-N 2.9Å; L243-T245 PolarHBondContact O-N 3.41Å; L243-E246 PolarHBondContact O-N 3.36Å; L243-I247 HydrophobicContact CB-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CD1 4Å; L243-I247 VanDerWaalsContact O-CB 3.25Å; L243-I247 WeakPolarHBondContact O-CB 3.45Å; L243-I247 WeakPolarHBondContact O-CG1 3.13Å; L243-I247 PolarHBondContact O-N 2.87Å |
| 244 | A | 87.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 81.7 Ų | 81.7 | 4% | 0.041 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L224 F228 R240 L248 G249 L250 | L224-A244 HydrophobicContact CD1-CB 4.08Å; F228-A244 HydrophobicContact CE2-CB 4.3Å; F228-A244 HydrophobicContact CZ-CB 4.26Å; R240-A244 VanDerWaalsContact O-CB 3.24Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.19Å; A244-L248 CarbonylContact O-C 3.52Å; A244-L248 WeakPolarHBondContact O-CA 3.27Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 2.93Å; A244-L248 VanDerWaalsContact O-N 3.16Å; A244-G249 PolarHBondContact O-N 2.97Å; A244-L250 HydrophobicContact CB-CB 4.32Å; A244-L250 HydrophobicContact CB-CD1 4.05Å; A244-L250 PolarHBondContact O-N 3.42Å; A244-L250 VanDerWaalsContact O-N 3.07Å |
| 245 | T | 86.9 | Confident | 81.5 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 30% | 0.301 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.5 | -43 | 175.3 | -51 | 0 | 0 | 0 | 0 | 112.4 | D241 S242 L243 G249 L250 S252 | D241-T245 WeakPolarHBondContact O-CB 3.28Å; D241-T245 PolarHBondContact O-N 3.32Å; D241-T245 PolarHBondContact O-OG1 3.39Å; S242-T245 WeakPolarHBondContact O-CB 3.45Å; S242-T245 PolarHBondContact O-N 2.89Å; L243-T245 PolarHBondContact O-N 3.41Å; T245-G249 VanDerWaalsContact O-CA 3.27Å; T245-G249 WeakPolarHBondContact O-CA 3.2Å; T245-G249 PolarHBondContact O-N 2.93Å; T245-L250 WeakPolarHBondContact CA-O 3.35Å; T245-L250 VanDerWaalsContact CB-O 3.31Å; T245-L250 WeakPolarHBondContact CB-O 3.4Å; T245-L250 WeakPolarHBondContact CG2-O 3.47Å; T245-L250 PolarHBondContact OG1-O 2.84Å; T245-S252 VanDerWaalsContact OG1-CB 3.3Å; T245-S252 WeakPolarHBondContact OG1-CB 3.22Å; T245-S252 PolarHBondContact OG1-N 3.44Å |
| 246 | E | 86.2 | Confident | 80.2 | Confident | 157 Ų | 157 | 84.4 Ų | 84.4 | 73% | 0.734 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -75.1 | -44.7 | -175.6 | -173.3 | 176.8 | 178.1 | 0 | 0 | 112.8 | S242 L243 | S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 PolarHBondContact O-N 2.89Å; L243-E246 PolarHBondContact O-N 3.36Å |
| 247 | I | 85.4 | Confident | 78.7 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 45% | 0.451 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -89.1 | -44.8 | -172.8 | -60 | 173.6 | 0 | 0 | 0 | 111.3 | F228 L243 | F228-I247 HydrophobicContact CD1-CD1 4.12Å; F228-I247 HydrophobicContact CE1-CB 4.42Å; F228-I247 HydrophobicContact CE1-CD1 3.78Å; L243-I247 HydrophobicContact CB-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CD1 4Å; L243-I247 VanDerWaalsContact O-CB 3.25Å; L243-I247 WeakPolarHBondContact O-CB 3.45Å; L243-I247 WeakPolarHBondContact O-CG1 3.13Å; L243-I247 PolarHBondContact O-N 2.87Å |
| 248 | L | 86.2 | Confident | 77.5 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -101.4 | -5.4 | -173.6 | -56.7 | 174.9 | 0 | 0 | 0 | 113 | L224 L227 F228 A244 L250 | L224-L248 HydrophobicContact CD2-CD1 3.4Å; L224-L248 VanDerWaalsContact CD2-CD1 3.4Å; L227-L248 HydrophobicContact CD2-CD1 4.4Å; F228-L248 HydrophobicContact CZ-CD1 4.36Å; A244-L248 CarbonylContact O-C 3.52Å; A244-L248 WeakPolarHBondContact O-CA 3.27Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 2.93Å; A244-L248 VanDerWaalsContact O-N 3.16Å; L248-L250 HydrophobicContact CB-CD1 4.18Å; L248-L250 HydrophobicContact CB-CG 3.91Å; L248-L250 HydrophobicContact CD1-CD1 4.03Å; L248-L250 PolarHBondContact O-N 2.96Å |
| 249 | G | 83 | Confident | 76.6 | Confident | 62 Ų | 62 | 85.3 Ų | 85.3 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | trans | 66.5 | 16.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A244 T245 S251 | A244-G249 PolarHBondContact O-N 2.97Å; T245-G249 VanDerWaalsContact O-CA 3.27Å; T245-G249 WeakPolarHBondContact O-CA 3.2Å; T245-G249 PolarHBondContact O-N 2.93Å; G249-S251 PolarHBondContact O-N 3.39Å | ||
| 250 | L | 77.3 | Confident | 75.3 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | trans | -70.2 | 126.3 | 177.5 | -64.9 | 176.6 | 0 | 0 | 0 | 109 | A244 T245 L248 S252 | A244-L250 HydrophobicContact CB-CB 4.32Å; A244-L250 HydrophobicContact CB-CD1 4.05Å; A244-L250 PolarHBondContact O-N 3.42Å; A244-L250 VanDerWaalsContact O-N 3.07Å; T245-L250 WeakPolarHBondContact CA-O 3.35Å; T245-L250 VanDerWaalsContact CB-O 3.31Å; T245-L250 WeakPolarHBondContact CB-O 3.4Å; T245-L250 WeakPolarHBondContact CG2-O 3.47Å; T245-L250 PolarHBondContact OG1-O 2.84Å; L248-L250 HydrophobicContact CB-CD1 4.18Å; L248-L250 HydrophobicContact CB-CG 3.91Å; L248-L250 HydrophobicContact CD1-CD1 4.03Å; L248-L250 PolarHBondContact O-N 2.96Å; L250-S252 PolarHBondContact O-N 3.16Å; L250-S252 VanDerWaalsContact O-N 3.12Å | ||
| 251 | S | 72.8 | Confident | 73.9 | Confident | 99 Ų | 99 | 91 Ų | 91 | 69% | 0.692 | 50% | 0.499 | S | S | * | . | trans | -62.5 | 120.4 | 179.4 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | G249 R253 | G249-S251 PolarHBondContact O-N 3.39Å; S251-R253 PolarHBondContact O-N 3.27Å; S251-R253 VanDerWaalsContact O-N 3.13Å | ||
| 252 | S | 63.9 | Low | 72.9 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -60.7 | -16.7 | 170.6 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | T245 L250 L254 | T245-S252 VanDerWaalsContact OG1-CB 3.3Å; T245-S252 WeakPolarHBondContact OG1-CB 3.22Å; T245-S252 PolarHBondContact OG1-N 3.44Å; L250-S252 PolarHBondContact O-N 3.16Å; L250-S252 VanDerWaalsContact O-N 3.12Å; S252-L254 PolarHBondContact O-N 2.9Å; S252-L254 VanDerWaalsContact O-N 3.11Å | ||
| 253 | R | 58.5 | Low | 71.7 | Confident | 210 Ų | 210 | 88.7 Ų | 88.7 | 79% | 0.792 | 49% | 0.487 | S | S | * | . | trans | -73.3 | 107.1 | -178.7 | -67.5 | -164.5 | 177.7 | -157.2 | 1.2 | 110.3 | S251 C255 | S251-R253 PolarHBondContact O-N 3.27Å; S251-R253 VanDerWaalsContact O-N 3.13Å; R253-C255 PolarHBondContact O-N 2.9Å | ||
| 254 | L | 61.4 | Low | 70.1 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | trans | -64.3 | 79 | 165.8 | -67.2 | 162.3 | 0 | 0 | 0 | 109.6 | S252 L266 | S252-L254 PolarHBondContact O-N 2.9Å; S252-L254 VanDerWaalsContact O-N 3.11Å; L254-L266 HydrophobicContact CD1-CD2 4.03Å | ||
| 255 | C | 65.6 | Low | 68.4 | Low | 56 Ų | 56 | 92.8 Ų | 92.8 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 56.4 | -178.2 | 178.8 | -155.6 | 0 | 0 | 0 | 0 | 114.3 | R253 C259 C262 | R253-C255 PolarHBondContact O-N 2.9Å; C255-C259 HydrophobicContact CB-CB 3.62Å; C255-C259 WeakPolarHBondContact CB-SG 3.37Å; C255-C259 WeakPolarHBondContact SG-CB 3.46Å; C255-C259 CovalentContact SG-SG 2.07Å; C255-C259 PolarHBondContact SG-SG 3.5Å; C255-C262 HydrophobicContact CB-CB 3.6Å; C255-C262 WeakPolarHBondContact CB-SG 3.37Å |
| 256 | F | 64.3 | Low | 66.9 | Low | 170 Ų | 170 | 91.6 Ų | 91.6 | 75% | 0.746 | 50% | 0.5 | S | S | * | . | trans | -67.4 | 147.3 | 167.6 | -68.1 | -83.9 | 0 | 0 | 0 | 109.7 | D258 C259 | F256-D258 PolarHBondContact O-N 2.7Å; F256-D258 VanDerWaalsContact O-N 3.11Å; F256-C259 WeakPolarHBondContact O-CB 3.28Å; F256-C259 PolarHBondContact O-N 3.08Å | ||
| 257 | P | 59.8 | Low | 65.2 | Low | 114 Ų | 114 | 87.4 Ų | 87.4 | 74% | 0.74 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.4 | 179.1 | 23.4 | -33.4 | 0 | 0 | 0 | 113.4 | C259 | P257-C259 VanDerWaalsContact C-N 3.29Å; P257-C259 PolarHBondContact O-N 3.03Å |
| 258 | D | 63 | Low | 63.3 | Low | 148 Ų | 148 | 92.5 Ų | 92.5 | 79% | 0.791 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 15.3 | 177.8 | -55.6 | -45.3 | 0 | 0 | 0 | 113.3 | F256 D260 | F256-D258 PolarHBondContact O-N 2.7Å; F256-D258 VanDerWaalsContact O-N 3.11Å; D258-D260 PolarHBondContact O-N 3.17Å; D258-D260 VanDerWaalsContact O-N 3.15Å |
| 259 | C | 69.6 | Low | 61.3 | Low | 24 Ų | 24 | 94.8 Ų | 94.8 | 16% | 0.162 | 51% | 0.511 | C | S | . | . | trans | -81 | 95.3 | -177.2 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | C255 F256 P257 F261 C262 S263 | C255-C259 HydrophobicContact CB-CB 3.62Å; C255-C259 WeakPolarHBondContact CB-SG 3.37Å; C255-C259 WeakPolarHBondContact SG-CB 3.46Å; C255-C259 CovalentContact SG-SG 2.07Å; C255-C259 PolarHBondContact SG-SG 3.5Å; F256-C259 WeakPolarHBondContact O-CB 3.28Å; F256-C259 PolarHBondContact O-N 3.08Å; P257-C259 VanDerWaalsContact C-N 3.29Å; P257-C259 PolarHBondContact O-N 3.03Å; C259-F261 PolarHBondContact O-N 2.97Å; C259-C262 HydrophobicContact CB-CB 4.2Å; C259-C262 PolarHBondContact O-N 3.21Å; C259-S263 PolarHBondContact O-N 3.38Å; C259-S263 PolarHBondContact O-OG 2.95Å | ||
| 260 | D | 60.4 | Low | 59.6 | Low | 125 Ų | 125 | 93.7 Ų | 93.7 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -49.6 | -31 | 176.6 | -73.2 | -26.1 | 0 | 0 | 0 | 113.2 | D258 | D258-D260 PolarHBondContact O-N 3.17Å; D258-D260 VanDerWaalsContact O-N 3.15Å |
| 261 | F | 59.6 | Low | 57.8 | Low | 123 Ų | 123 | 95.2 Ų | 95.2 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.9 | -41.9 | 178.5 | -78.7 | -87.9 | 0 | 0 | 0 | 113.2 | C259 L265 | C259-F261 PolarHBondContact O-N 2.97Å; F261-L265 WeakPolarHBondContact O-CD1 3.49Å; F261-L265 VanDerWaalsContact O-CG 3.28Å; F261-L265 WeakPolarHBondContact O-CG 3.45Å; F261-L265 PolarHBondContact O-N 3.36Å |
| 262 | C | 65.1 | Low | 56.3 | Low | 35 Ų | 35 | 96.7 Ų | 96.7 | 24% | 0.236 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -82.1 | -33.3 | -176.6 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | C255 C259 D264 L265 L266 | C255-C262 HydrophobicContact CB-CB 3.6Å; C255-C262 WeakPolarHBondContact CB-SG 3.37Å; C259-C262 HydrophobicContact CB-CB 4.2Å; C259-C262 PolarHBondContact O-N 3.21Å; C262-D264 PolarHBondContact O-N 2.91Å; C262-L265 PolarHBondContact O-N 2.96Å; C262-L266 WeakPolarHBondContact O-CD1 3.46Å; C262-L266 PolarHBondContact O-N 2.94Å |
| 263 | S | 60 | Low | 55.3 | Low | 53 Ų | 53 | 101.3 Ų | 101.3 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.3 | -35.2 | 172.1 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | C259 R271 | C259-S263 PolarHBondContact O-N 3.38Å; C259-S263 PolarHBondContact O-OG 2.95Å; S263-R271 PolarHBondContact O-NE 3.45Å; S263-R271 PolarHBondContact O-NH2 3.37Å |
| 264 | D | 54.6 | Low | 54.8 | Low | 83 Ų | 83 | 94 Ų | 94 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -80.9 | -30.3 | 177.5 | -81.6 | -11.2 | 0 | 0 | 0 | 114 | K210 C262 | K210-D264 IonicContact NZ-OD2 3.74Å; K210-D264 PolarHBondContact NZ-OD2 3.03Å; C262-D264 PolarHBondContact O-N 2.91Å |
| 265 | L | 53.7 | Low | 53.9 | Low | 33 Ų | 33 | 97 Ų | 97 | 17% | 0.173 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -81.9 | -20.4 | -179.1 | -71.2 | 167.8 | 0 | 0 | 0 | 113.2 | K210 L213 I214 F261 C262 T267 | K210-L265 HydrophobicContact CB-CD2 4.35Å; K210-L265 HydrophobicContact CG-CD2 4.47Å; L213-L265 HydrophobicContact CB-CD2 4.33Å; L213-L265 HydrophobicContact CD1-CD1 4.43Å; I214-L265 HydrophobicContact CD1-CD2 4.21Å; I214-L265 HydrophobicContact CG1-CD2 3.69Å; F261-L265 WeakPolarHBondContact O-CD1 3.49Å; F261-L265 VanDerWaalsContact O-CG 3.28Å; F261-L265 WeakPolarHBondContact O-CG 3.45Å; F261-L265 PolarHBondContact O-N 3.36Å; C262-L265 PolarHBondContact O-N 2.96Å; L265-T267 PolarHBondContact O-N 3.42Å |
| 266 | L | 54.4 | Low | 52.4 | Low | 23 Ų | 23 | 99 Ų | 99 | 12% | 0.12 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -60.8 | 108.4 | 167.9 | -81.2 | 139.9 | 0 | 0 | 0 | 108.3 | L254 C262 E270 R271 | L254-L266 HydrophobicContact CD1-CD2 4.03Å; C262-L266 WeakPolarHBondContact O-CD1 3.46Å; C262-L266 PolarHBondContact O-N 2.94Å; L266-E270 HydrophobicContact CD2-CB 3.45Å; L266-E270 VanDerWaalsContact CD2-CB 3.45Å; L266-R271 HydrophobicContact CB-CG 3.9Å |
| 267 | T | 51.5 | Low | 51.2 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | trans | -50.4 | 148.1 | 167.7 | 40 | 0 | 0 | 0 | 0 | 108.9 | L265 D269 E270 R271 | L265-T267 PolarHBondContact O-N 3.42Å; T267-D269 PolarHBondContact O-N 3.3Å; T267-E270 PolarHBondContact O-N 2.91Å; T267-R271 PolarHBondContact O-N 2.92Å | ||
| 268 | R | 44.6 | Very low | 50.2 | Low | 195 Ų | 195 | 98.3 Ų | 98.3 | 74% | 0.736 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -49.3 | -31.4 | -175.6 | -164.6 | -176.7 | 177.5 | -173.8 | -0.4 | 112.6 | Y272 | R268-Y272 HydrophobicContact CG-CE2 4.37Å; R268-Y272 WeakPolarHBondContact O-CD2 3.47Å; R268-Y272 WeakPolarHBondContact O-CE2 3.39Å |
| 269 | D | 43.7 | Very low | 49.1 | Very low | 133 Ų | 133 | 97.9 Ų | 97.9 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.3 | -37.2 | 175.1 | -96.3 | -33.2 | 0 | 0 | 0 | 114.7 | T267 Y272 | T267-D269 PolarHBondContact O-N 3.3Å; D269-Y272 PolarHBondContact O-N 3.37Å |
| 270 | E | 47.2 | Very low | 47.4 | Very low | 38 Ų | 38 | 101.9 Ų | 101.9 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -79.4 | -25.3 | -178.2 | -68.1 | -166.6 | 160.6 | 0 | 0 | 113.2 | R217 L266 T267 Y272 R273 T274 | R217-E270 IonicContact CZ-OE1 3.2Å; R217-E270 IonicContact CZ-OE2 3.81Å; R217-E270 IonicContact NH1-OE1 2.7Å; R217-E270 PolarHBondContact NH1-OE1 3.03Å; R217-E270 IonicContact NH1-OE2 2.88Å; R217-E270 PolarHBondContact NH1-OE2 3.03Å; R217-E270 IonicContact NH2-OE1 2.8Å; R217-E270 PolarHBondContact NH2-OE1 3.11Å; R217-E270 IonicContact NH2-OE2 3.56Å; R217-E270 PolarHBondContact NH2-OE2 3.38Å; L266-E270 HydrophobicContact CD2-CB 3.45Å; L266-E270 VanDerWaalsContact CD2-CB 3.45Å; T267-E270 PolarHBondContact O-N 2.91Å; E270-Y272 PolarHBondContact O-N 3.48Å; E270-R273 WeakPolarHBondContact O-CA 3.07Å; E270-R273 PolarHBondContact O-N 2.66Å; E270-T274 PolarHBondContact O-N 3.33Å; E270-T274 VanDerWaalsContact O-N 3.07Å; E270-T274 PolarHBondContact O-OG1 3.46Å; E270-T274 VanDerWaalsContact O-OG1 3.05Å |
| 271 | R | 41.2 | Very low | 46 | Very low | 116 Ų | 116 | 105 Ų | 105 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -33.7 | 171.8 | -65.8 | -172.9 | -175 | 169.6 | -1.2 | 112.1 | S263 L266 T267 R273 Q275 | S263-R271 PolarHBondContact O-NE 3.45Å; S263-R271 PolarHBondContact O-NH2 3.37Å; L266-R271 HydrophobicContact CB-CG 3.9Å; T267-R271 PolarHBondContact O-N 2.92Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R271-Q275 PolarHBondContact O-N 3.21Å |
| 272 | Y | 39.7 | Very low | 44.9 | Very low | 130 Ų | 130 | 104.6 Ų | 104.6 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -29.4 | 173.6 | -68.3 | -74.1 | 0 | 0 | 0 | 112 | R268 D269 E270 N276 | R268-Y272 HydrophobicContact CG-CE2 4.37Å; R268-Y272 WeakPolarHBondContact O-CD2 3.47Å; R268-Y272 WeakPolarHBondContact O-CE2 3.39Å; D269-Y272 PolarHBondContact O-N 3.37Å; E270-Y272 PolarHBondContact O-N 3.48Å; Y272-N276 PolarHBondContact O-N 3.35Å; Y272-N276 PolarHBondContact O-ND2 2.91Å |
| 273 | R | 43.4 | Very low | 43.5 | Very low | 174 Ų | 174 | 108.8 Ų | 108.8 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.4 | -41.9 | 177.9 | -73.4 | -165.5 | 173.3 | 176 | 0.7 | 112.9 | E270 R271 N276 H277 | E270-R273 WeakPolarHBondContact O-CA 3.07Å; E270-R273 PolarHBondContact O-N 2.66Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R273-N276 PolarHBondContact O-N 3.49Å; R273-H277 PolarHBondContact O-CD2 3.18Å; R273-H277 PolarHBondContact O-N 3.28Å |
| 274 | T | 47.5 | Very low | 42 | Very low | 58 Ų | 58 | 111.2 Ų | 111.2 | 36% | 0.356 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.1 | -39.9 | 178.3 | 22.5 | 0 | 0 | 0 | 0 | 112.8 | E270 N276 H277 D278 | E270-T274 PolarHBondContact O-N 3.33Å; E270-T274 VanDerWaalsContact O-N 3.07Å; E270-T274 PolarHBondContact O-OG1 3.46Å; E270-T274 VanDerWaalsContact O-OG1 3.05Å; T274-N276 VanDerWaalsContact C-N 3.27Å; T274-N276 PolarHBondContact O-N 2.95Å; T274-H277 PolarHBondContact O-N 3.23Å; T274-H277 VanDerWaalsContact O-N 3.15Å; T274-D278 PolarHBondContact O-N 3.27Å |
| 275 | Q | 42.9 | Very low | 40.9 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62 | -33.4 | 174.5 | -88.8 | -174.5 | -7.8 | 0 | 0 | 113.3 | R271 D278 L279 | R271-Q275 PolarHBondContact O-N 3.21Å; Q275-D278 PolarHBondContact O-N 2.85Å; Q275-L279 PolarHBondContact O-N 3.39Å |
| 276 | N | 35 | Very low | 40.3 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.3 | -29 | 176.8 | -78.1 | -45.6 | 0 | 0 | 0 | 112.9 | Y272 R273 T274 | Y272-N276 PolarHBondContact O-N 3.35Å; Y272-N276 PolarHBondContact O-ND2 2.91Å; R273-N276 PolarHBondContact O-N 3.49Å; T274-N276 VanDerWaalsContact C-N 3.27Å; T274-N276 PolarHBondContact O-N 2.95Å |
| 277 | H | 37.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 125 Ų | 125 | 68% | 0.676 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.2 | -33.2 | 173.5 | -86.4 | -61.4 | 0 | 0 | 0 | 112.8 | R273 T274 L279 C280 | R273-H277 PolarHBondContact O-CD2 3.18Å; R273-H277 PolarHBondContact O-N 3.28Å; T274-H277 PolarHBondContact O-N 3.23Å; T274-H277 VanDerWaalsContact O-N 3.15Å; H277-L279 VanDerWaalsContact C-N 3.35Å; H277-C280 PolarHBondContact O-N 3.07Å |
| 278 | D | 40.2 | Very low | 38 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.2 | -25.6 | 176.4 | -79.8 | -32.1 | 0 | 0 | 0 | 113.5 | T274 Q275 C280 R281 | T274-D278 PolarHBondContact O-N 3.27Å; Q275-D278 PolarHBondContact O-N 2.85Å; D278-C280 VanDerWaalsContact C-N 3.28Å; D278-C280 PolarHBondContact O-N 2.64Å; D278-R281 PolarHBondContact O-N 2.75Å |
| 279 | L | 39.9 | Very low | 37.6 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.1 | -21.6 | 173.7 | -76.1 | 161.6 | 0 | 0 | 0 | 113.4 | Q275 H277 | Q275-L279 PolarHBondContact O-N 3.39Å; H277-L279 VanDerWaalsContact C-N 3.35Å |
| 280 | C | 33.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 2.5 | 178.7 | -78.8 | 0 | 0 | 0 | 0 | 113.9 | H277 D278 P282 | H277-C280 PolarHBondContact O-N 3.07Å; D278-C280 VanDerWaalsContact C-N 3.28Å; D278-C280 PolarHBondContact O-N 2.64Å; C280-P282 WeakPolarHBondContact O-CD 3.41Å |
| 281 | R | 30.7 | Very low | 36.2 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -90.7 | 116.4 | 168.5 | -157 | 176.8 | -174.6 | -172.1 | -0.2 | 108.4 | D278 N283 | D278-R281 PolarHBondContact O-N 2.75Å; R281-N283 PolarHBondContact O-N 3.05Å |
| 282 | P | 36.8 | Very low | 35.7 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -67.2 | 89.6 | 173.9 | 26.1 | -30.8 | 0 | 0 | 0 | 108.2 | C280 S284 | C280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-S284 PolarHBondContact O-N 2.98Å; P282-S284 PolarHBondContact O-OG 3.1Å | ||
| 283 | N | 35.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | trans | -73.2 | 99.1 | -179 | -142.1 | 0.4 | 0 | 0 | 0 | 107.5 | R281 Y285 | R281-N283 PolarHBondContact O-N 3.05Å; N283-Y285 PolarHBondContact O-N 3.05Å | ||
| 284 | S | 28.9 | Very low | 34.6 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -74.9 | 76.2 | 175.6 | -52 | 0 | 0 | 0 | 0 | 108.3 | P282 | P282-S284 PolarHBondContact O-N 2.98Å; P282-S284 PolarHBondContact O-OG 3.1Å | ||
| 285 | Y | 32.3 | Very low | 33.7 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | -135.3 | 113.7 | 166.7 | -83.2 | -78.6 | 0 | 0 | 0 | 109.7 | N283 S287 | N283-Y285 PolarHBondContact O-N 3.05Å; Y285-S287 PolarHBondContact O-N 2.78Å | ||
| 286 | P | 40.4 | Very low | 33 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -84 | 106.2 | 171.7 | 31.9 | -26.3 | 0 | 0 | 0 | 107.9 | ||||
| 287 | S | 30.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -146.7 | 91 | 162.6 | -86.5 | 0 | 0 | 0 | 0 | 112 | Y285 | Y285-S287 PolarHBondContact O-N 2.78Š| ||
| 288 | R | 27.4 | Very low | 32.2 | Very low | 232 Ų | 232 | 139.2 Ų | 139.2 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | 58.7 | 72.2 | 134.9 | -62.9 | -174.7 | 169.2 | -156.8 | -3 | 116 | V290 | R288-V290 PolarHBondContact O-N 2.78Š| ||
| 289 | L | 34.9 | Very low | 31.5 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -64.5 | 114.8 | 138.6 | -81.3 | 167.4 | 0 | 0 | 0 | 108 | S291 | L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.58Å | ||
| 290 | V | 33.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -59.3 | 96.1 | 167.3 | 171.2 | 0 | 0 | 0 | 0 | 107.8 | R288 Q292 | R288-V290 PolarHBondContact O-N 2.78Å; V290-Q292 PolarHBondContact O-N 2.85Å | ||
| 291 | S | 29.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | 23.5 | 87.8 | 137.3 | 47.6 | 0 | 0 | 0 | 0 | 116 | L289 | L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.58Å | ||
| 292 | Q | 30.7 | Very low | 32.1 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -109.1 | 135.8 | 142.5 | -69.7 | -171 | 1.7 | 0 | 0 | 108.2 | V290 | V290-Q292 PolarHBondContact O-N 2.85Š| ||
| 293 | I | 30.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 147.3 | -153.9 | -70.2 | 160.6 | 0 | 0 | 0 | 112.5 | ||||
| 294 | P | 30.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -86.9 | 148.6 | -170.9 | 35.3 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 295 | S | 28.6 | Very low | 31.8 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -147.1 | 106.3 | 165.6 | 159.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 296 | N | 27.3 | Very low | 31.4 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 62.7 | 105.8 | 145.5 | -56.5 | -7.8 | 0 | 0 | 0 | 118.5 | ||||
| 297 | C | 25.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | 162.4 | 159.3 | 108 | -89.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 298 | P | 31 | Very low | 30.8 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -100.5 | 161.5 | -130 | 37.5 | -36.4 | 0 | 0 | 0 | 115.6 | |||||
| 299 | S | 25 | Very low | 30.7 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -37.9 | 141.5 | 162.2 | 45.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 300 | P | 36.5 | Very low | 30.5 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -117.3 | 138.1 | 134.2 | 19.3 | -1.2 | 0 | 0 | 0 | 111.6 | ||||
| 301 | F | 30.3 | Very low | 30 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 177.8 | 179.7 | -92.5 | -90.1 | 0 | 0 | 0 | 112.6 | ||||
| 302 | P | 48.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -101.7 | -170.6 | -145.3 | 43.2 | -39.1 | 0 | 0 | 0 | 114.3 | ||||
| 303 | P | 33.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -150.2 | 165.1 | 97.8 | 36.3 | -16.5 | 0 | 0 | 0 | 117.5 | |||||
| 304 | Q | 27.4 | Very low | 29.8 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -64 | 150.6 | 174.2 | -52 | 176.9 | -26 | 0 | 0 | 114 | ||||
| 305 | I | 35.1 | Very low | 29.6 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -152.3 | 124.8 | 132.4 | -53.7 | -173.2 | 0 | 0 | 0 | 109.5 | ||||
| 306 | S | 24.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -95.1 | 150.4 | 167.4 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 307 | T | 29.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 173.1 | 101.7 | 150 | 21.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 308 | S | 27.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | 73.9 | 120 | 82.7 | 68 | 0 | 0 | 0 | 0 | 116 | |||||
| 309 | F | 25.1 | Very low | 29.4 | Very low | 206 Ų | 206 | 138 Ų | 138 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -47.8 | 146.9 | 177.9 | -66.1 | -97.6 | 0 | 0 | 0 | 116.8 | ||||
| 310 | P | 30.7 | Very low | 29.4 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -89.7 | 128.7 | 159.4 | 32.6 | -26.2 | 0 | 0 | 0 | 111.2 | ||||
| 311 | S | 23 | Very low | 29.1 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -132.1 | 147.8 | 169.3 | -158.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 312 | N | 26.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 107.5 | 105.2 | 166.5 | -58.5 | -9.4 | 0 | 0 | 0 | 117.6 | ||||
| 313 | D | 25.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | 48.8 | 107.2 | 116.7 | -62.5 | -27.1 | 0 | 0 | 0 | 118.5 | |||||
| 314 | T | 34.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -140.7 | 85.7 | 145.1 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | R316 | T314-R316 HydrophobicContact CG2-CB 4.47Å; T314-R316 PolarHBondContact O-N 2.78Å | ||
| 315 | A | 26.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 108.2 | 156 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 316 | R | 28.3 | Very low | 26.8 | Very low | 219 Ų | 219 | 134 Ų | 134 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -140.7 | 98 | 160.8 | -140.5 | 179 | -160.1 | -179.7 | 5.2 | 110.1 | T314 L318 | T314-R316 HydrophobicContact CG2-CB 4.47Å; T314-R316 PolarHBondContact O-N 2.78Å; R316-L318 PolarHBondContact O-N 2.69Å | ||
| 317 | S | 23.4 | Very low | 26.9 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -52.2 | 125.2 | 163.2 | -43.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 318 | L | 32 | Very low | 26.8 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -124.6 | 111 | 155.9 | -93.7 | 154.9 | 0 | 0 | 0 | 107.1 | R316 | R316-L318 PolarHBondContact O-N 2.69Š| ||
| 319 | T | 24.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 143.5 | 177.8 | 39.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 320 | S | 24.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 53.1 | 110.1 | 136.2 | -56.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 321 | D | 29.3 | Very low | 26.8 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 95% | 0.952 | 79% | 0.785 | S | S | * | * | -137.5 | 130.5 | 127.8 | -95.5 | -31.4 | 0 | 0 | 0 | 110.2 | |||||
| 322 | A | 24.5 | Very low | 26.9 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -107.5 | 166.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 323 | S | 25.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 80.4 | 142.1 | 172.7 | 86.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 324 | Y | 26.9 | Very low | 27.2 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | cis | -159.3 | 160.3 | 18.2 | -172.1 | -102.2 | 0 | 0 | 0 | 110 | ||||
| 325 | I | 25 | Very low | 26.8 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 145.7 | -179.1 | -68.4 | 160.2 | 0 | 0 | 0 | 113.1 | ||||
| 326 | G | 24.1 | Very low | 26.9 | Very low | 61 Ų | 61 | 142.4 Ų | 142.4 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | 132.7 | 119.6 | 133.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 327 | V | 28.3 | Very low | 27 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 82.6 | 99 | 141.5 | -164.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 328 | V | 26.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | 17.3 | 107.4 | 130.3 | -168.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 329 | N | 28.9 | Very low | 27.5 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -149.9 | 116.6 | 140.5 | -99.1 | -15.7 | 0 | 0 | 0 | 109.9 | V331 | N329-V331 PolarHBondContact O-N 2.95Å; N329-V331 VanDerWaalsContact O-N 3.1Å | ||
| 330 | N | 25.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -60.7 | 102.7 | 166.7 | -72.4 | -21.6 | 0 | 0 | 0 | 109.1 | ||||
| 331 | V | 29.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -137.4 | 112.4 | 160.3 | -178 | 0 | 0 | 0 | 0 | 107.5 | N329 P333 | N329-V331 PolarHBondContact O-N 2.95Å; N329-V331 VanDerWaalsContact O-N 3.1Å; V331-P333 WeakPolarHBondContact O-CD 3.39Å | ||
| 332 | F | 25.9 | Very low | 27.7 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -45.4 | 124.2 | 165 | -91.6 | -101.6 | 0 | 0 | 0 | 110.7 | D334 | F332-D334 PolarHBondContact O-N 3.44Š| ||
| 333 | P | 31.7 | Very low | 27.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -89.1 | 98.8 | 161.6 | 30.3 | -23.3 | 0 | 0 | 0 | 108.7 | V331 | V331-P333 WeakPolarHBondContact O-CD 3.39Š| ||
| 334 | D | 24.8 | Very low | 28.3 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 130.7 | 158.4 | -167.9 | 17.7 | 0 | 0 | 0 | 109.2 | F332 | F332-D334 PolarHBondContact O-N 3.44Š| ||
| 335 | R | 27.7 | Very low | 28.4 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 56 | 124.5 | 154 | -127.9 | 167.8 | -176.2 | 170.9 | 1.8 | 122.5 | ||||
| 336 | S | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 79.6 | 107.8 | 139.5 | 61.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 337 | T | 29.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | -170.2 | 151.1 | 104.9 | 23.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 338 | P | 35.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -97.3 | -178.5 | -168.4 | 39.1 | -32.2 | 0 | 0 | 0 | 112.7 | ||||
| 339 | V | 30.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 97.7 | 113.3 | 179.7 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 340 | D | 31 | Very low | 30.7 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | cis | -148.7 | 145.2 | 34.1 | -122.7 | -33.8 | 0 | 0 | 0 | 111.8 | C342 | D340-C342 PolarHBondContact O-N 3.2Š| ||
| 341 | R | 23.9 | Very low | 31.5 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -77.7 | 110.7 | 170.7 | -79.7 | 177.8 | 171.8 | 169.6 | -3 | 108.8 | ||||
| 342 | C | 28.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -117.6 | 108.8 | 148.1 | -73.7 | 0 | 0 | 0 | 0 | 108.5 | D340 D344 | D340-C342 PolarHBondContact O-N 3.2Å; C342-D344 PolarHBondContact O-N 3.34Å | ||
| 343 | N | 28.3 | Very low | 32.3 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -61.4 | 105.8 | 166.3 | -88.5 | -10.5 | 0 | 0 | 0 | 108.9 | ||||
| 344 | D | 34.2 | Very low | 32.5 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -110.9 | 99.9 | 148.1 | -82.2 | -36.7 | 0 | 0 | 0 | 107.8 | C342 N346 | C342-D344 PolarHBondContact O-N 3.34Å; D344-N346 PolarHBondContact O-N 3.4Å | ||
| 345 | H | 30.1 | Very low | 33.2 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -67.9 | 81.7 | 169.1 | -79.8 | -33.2 | 0 | 0 | 0 | 109.5 | ||||
| 346 | N | 32.2 | Very low | 33.6 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -142.6 | 79.8 | 152.7 | -97.3 | -23.9 | 0 | 0 | 0 | 107.1 | D344 T348 | D344-N346 PolarHBondContact O-N 3.4Å; N346-T348 PolarHBondContact O-N 2.99Å | ||
| 347 | K | 33 | Very low | 34.1 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | trans | -69.3 | 75.7 | 161.6 | -73.5 | -178.5 | 177.8 | -177.7 | 0 | 107 | A349 | K347-A349 PolarHBondContact O-N 3.14Š| ||
| 348 | T | 36.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -53.1 | 114.1 | 152.4 | 43.7 | 0 | 0 | 0 | 0 | 105.2 | N346 I350 | N346-T348 PolarHBondContact O-N 2.99Å; T348-I350 PolarHBondContact O-N 3.04Å | ||
| 349 | A | 39.3 | Very low | 34.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | trans | -42.1 | 131.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K347 I351 | K347-A349 PolarHBondContact O-N 3.14Å; A349-I351 PolarHBondContact O-N 3.5Å | ||
| 350 | I | 39.2 | Very low | 34.8 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -63.6 | 87.6 | 168.4 | -60.9 | 167.6 | 0 | 0 | 0 | 104.2 | T348 N352 | T348-I350 PolarHBondContact O-N 3.04Å; I350-N352 VanDerWaalsContact C-N 3.29Å; I350-N352 PolarHBondContact O-N 3.09Å | ||
| 351 | I | 42.2 | Very low | 35.1 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -65.9 | 102.6 | 169.9 | -61.1 | 173.9 | 0 | 0 | 0 | 103.2 | A349 S353 | A349-I351 PolarHBondContact O-N 3.5Å; I351-S353 PolarHBondContact O-N 2.93Å | ||
| 352 | N | 35.4 | Very low | 35.9 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 44% | 0.444 | 74% | 0.735 | S | S | . | * | trans | -49.6 | 111.8 | 177.1 | -87.1 | -38.6 | 0 | 0 | 0 | 108.4 | I350 G354 | I350-N352 VanDerWaalsContact C-N 3.29Å; I350-N352 PolarHBondContact O-N 3.09Å; N352-G354 PolarHBondContact O-N 3.14Å | ||
| 353 | S | 37.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 20.8 | -179.2 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | I351 | I351-S353 PolarHBondContact O-N 2.93Š|
| 354 | G | 35.3 | Very low | 37 | Very low | 51 Ų | 51 | 133.4 Ų | 133.4 | 53% | 0.526 | 72% | 0.72 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N352 N356 | N352-G354 PolarHBondContact O-N 3.14Å; G354-N356 VanDerWaalsContact C-N 3.28Å; G354-N356 PolarHBondContact O-N 2.93Å |
| 355 | L | 39.6 | Very low | 37.3 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 51% | 0.513 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -71.8 | -14 | -177.1 | -92.5 | 169.7 | 0 | 0 | 0 | 115.2 | L231 Q357 | L231-L355 HydrophobicContact CD2-CD1 3.47Å; L231-L355 VanDerWaalsContact CD2-CD1 3.47Å; L231-L355 HydrophobicContact CD2-CG 4.16Å; L355-Q357 PolarHBondContact O-N 3.26Å |
| 356 | N | 35.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -76.4 | 0.9 | 178.2 | -76.6 | -26 | 0 | 0 | 0 | 114.1 | G354 | G354-N356 VanDerWaalsContact C-N 3.28Å; G354-N356 PolarHBondContact O-N 2.93Å |
| 357 | Q | 38.7 | Very low | 38.6 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -118 | -4.5 | 179.5 | -70.2 | -175.2 | 16.4 | 0 | 0 | 115.1 | L355 L359 | L355-Q357 PolarHBondContact O-N 3.26Å; Q357-L359 PolarHBondContact O-N 2.88Å; Q357-L359 VanDerWaalsContact O-N 3.16Å |
| 358 | Y | 35.2 | Very low | 38.9 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | -84.9 | 92.1 | 170.3 | -87.4 | -87 | 0 | 0 | 0 | 109.3 | F360 | Y358-F360 PolarHBondContact O-N 2.82Å; Y358-F360 VanDerWaalsContact O-N 3.09Å | ||
| 359 | L | 36.6 | Very low | 39.1 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -56 | 113.9 | 160.7 | -89 | 91.3 | 0 | 0 | 0 | 107.6 | Q357 P361 | Q357-L359 PolarHBondContact O-N 2.88Å; Q357-L359 VanDerWaalsContact O-N 3.16Å; L359-P361 WeakPolarHBondContact O-CD 3.45Å | ||
| 360 | F | 38.3 | Very low | 39 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 124.6 | 165 | -77.5 | -91.6 | 0 | 0 | 0 | 108.5 | Y358 D362 | Y358-F360 PolarHBondContact O-N 2.82Å; Y358-F360 VanDerWaalsContact O-N 3.09Å; F360-D362 PolarHBondContact O-N 3.32Å |
| 361 | P | 37.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132 | 167.7 | -17.1 | 29.9 | 0 | 0 | 0 | 108.6 | L359 | L359-P361 WeakPolarHBondContact O-CD 3.45Š|
| 362 | D | 40.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 131.7 | -179.1 | -109.7 | -37.6 | 0 | 0 | 0 | 111.3 | F360 S364 | F360-D362 PolarHBondContact O-N 3.32Å; D362-S364 PolarHBondContact O-N 2.9Å |
| 363 | P | 43.6 | Very low | 38.9 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -68.2 | -1.8 | -173.6 | 26.3 | -33.6 | 0 | 0 | 0 | 114.4 | Y365 | P363-Y365 VanDerWaalsContact C-N 3.27Å; P363-Y365 PolarHBondContact O-N 2.96Å |
| 364 | S | 37.9 | Very low | 38.7 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -67.9 | -22.1 | 177.8 | 56 | 0 | 0 | 0 | 0 | 113.9 | D362 | D362-S364 PolarHBondContact O-N 2.9Š|
| 365 | Y | 39.3 | Very low | 38.6 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -88.9 | -10.6 | -177.4 | -76.9 | -79.6 | 0 | 0 | 0 | 115.1 | P363 | P363-Y365 VanDerWaalsContact C-N 3.27Å; P363-Y365 PolarHBondContact O-N 2.96Å |
| 366 | V | 48.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -21.7 | -173.9 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 367 | L | 41.9 | Very low | 38.3 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -90.2 | -6.5 | -175.6 | -79.1 | 166.8 | 0 | 0 | 0 | 115 | ||
| 368 | E | 39.1 | Very low | 38.2 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -98 | -7.4 | -172.4 | -139.1 | -177.9 | -170.5 | 0 | 0 | 114.5 | P370 | E368-P370 WeakPolarHBondContact O-CD 3.37Š|
| 369 | K | 40.4 | Very low | 38.1 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -97.3 | 104 | 175.8 | -120.9 | 173.8 | -177.8 | 175 | 0 | 109.9 | L371 | K369-L371 PolarHBondContact O-N 2.97Š|
| 370 | P | 36.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -56.7 | 130.8 | 169.4 | 21.7 | -29.9 | 0 | 0 | 0 | 108.6 | E368 | E368-P370 WeakPolarHBondContact O-CD 3.37Š| ||
| 371 | L | 41.6 | Very low | 37.8 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -55.2 | 139 | 176.9 | -69.9 | 167.3 | 0 | 0 | 0 | 108.9 | K369 S373 | K369-L371 PolarHBondContact O-N 2.97Å; L371-S373 PolarHBondContact O-N 3.15Å | ||
| 372 | P | 38.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -54 | 114.6 | 175.5 | -20.7 | 30.2 | 0 | 0 | 0 | 108.9 | Y374 | P372-Y374 PolarHBondContact O-N 2.65Š| ||
| 373 | S | 34.2 | Very low | 37.6 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | trans | -68.2 | 119.7 | 167.1 | 66.3 | 0 | 0 | 0 | 0 | 106.1 | L371 H375 | L371-S373 PolarHBondContact O-N 3.15Å; S373-H375 PolarHBondContact O-N 3.09Å; S373-H375 PolarHBondContact OG-CD2 3.1Å; S373-H375 PolarHBondContact OG-NE2 3.24Å | ||
| 374 | Y | 34.3 | Very low | 37.2 | Very low | 217 Ų | 217 | 146.1 Ų | 146.1 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -67.3 | 80.9 | 163.3 | -70.5 | -86.7 | 0 | 0 | 0 | 107 | P372 N376 | P372-Y374 PolarHBondContact O-N 2.65Å; Y374-N376 PolarHBondContact O-N 3.48Å | ||
| 375 | H | 33.1 | Very low | 37.1 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | -63.2 | 94.3 | 154.8 | -80.3 | -72.1 | 0 | 0 | 0 | 105.4 | S373 N377 | S373-H375 PolarHBondContact O-N 3.09Å; S373-H375 PolarHBondContact OG-CD2 3.1Å; S373-H375 PolarHBondContact OG-NE2 3.24Å; H375-N377 PolarHBondContact O-N 3.12Å | ||
| 376 | N | 35.8 | Very low | 36.8 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -56.2 | 99 | 156.3 | -83.9 | -12.8 | 0 | 0 | 0 | 105.3 | Y374 V378 | Y374-N376 PolarHBondContact O-N 3.48Å; N376-V378 HydrophobicContact CB-CG2 4.15Å; N376-V378 PolarHBondContact O-N 3.29Å | ||
| 377 | N | 33.5 | Very low | 36.3 | Very low | 130 Ų | 130 | 153 Ų | 153 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -60.6 | 82.5 | 161.2 | -72.5 | -26.2 | 0 | 0 | 0 | 105.7 | H375 F379 | H375-N377 PolarHBondContact O-N 3.12Å; N377-F379 HydrophobicContact CB-CD2 4.18Å; N377-F379 HydrophobicContact CB-CE2 4.08Å; N377-F379 PolarHBondContact O-N 3Å | ||
| 378 | V | 36.4 | Very low | 35.9 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 83.1 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 104.3 | N376 D380 | N376-V378 HydrophobicContact CB-CG2 4.15Å; N376-V378 PolarHBondContact O-N 3.29Å; V378-D380 PolarHBondContact O-N 3.06Å | ||
| 379 | F | 32.2 | Very low | 35.8 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | -50.6 | 127.7 | 163.5 | -85 | -86.6 | 0 | 0 | 0 | 107.3 | N377 S381 | N377-F379 HydrophobicContact CB-CD2 4.18Å; N377-F379 HydrophobicContact CB-CE2 4.08Å; N377-F379 PolarHBondContact O-N 3Å; F379-S381 PolarHBondContact O-N 3.29Å | ||
| 380 | D | 33.1 | Very low | 35.5 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -62.2 | 67.9 | -179.2 | -166.9 | 16.7 | 0 | 0 | 0 | 110.7 | V378 R382 | V378-D380 PolarHBondContact O-N 3.06Å; D380-R382 PolarHBondContact O-N 2.91Å | ||
| 381 | S | 35.1 | Very low | 35.3 | Very low | 88 Ų | 88 | 152.4 Ų | 152.4 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | -87.4 | 92 | 173.4 | -73.3 | 0 | 0 | 0 | 0 | 107.5 | F379 H383 | F379-S381 PolarHBondContact O-N 3.29Å; S381-H383 PolarHBondContact O-N 3.23Å | ||
| 382 | R | 39.2 | Very low | 35.2 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -62.5 | 39.2 | 176.3 | -60.7 | -173 | -164.4 | 171.7 | 6.3 | 114.5 | D380 | D380-R382 PolarHBondContact O-N 2.91Š| ||
| 383 | H | 35.2 | Very low | 34.7 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -155.5 | 78.7 | 173.9 | -70.8 | -56.1 | 0 | 0 | 0 | 111.3 | S381 | S381-H383 PolarHBondContact O-N 3.23Š| ||
| 384 | H | 36.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -127.3 | 98 | 156.3 | -82.4 | -63.1 | 0 | 0 | 0 | 110.1 | ||||
| 385 | E | 34.6 | Very low | 34.5 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -44.5 | 143 | 156.6 | -169.3 | 174.2 | -176.4 | 0 | 0 | 109.8 | V387 | E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 2.76Å | ||
| 386 | R | 34.3 | Very low | 34.5 | Very low | 247 Ų | 247 | 152.4 Ų | 152.4 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -60.1 | 89.2 | -174.4 | -63.5 | 176 | 179.6 | 129.6 | -1.9 | 110.8 | R388 | R386-R388 PolarHBondContact O-N 3.29Š| ||
| 387 | V | 37 | Very low | 34.5 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | trans | -74.9 | 110.8 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | E385 L389 | E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 2.76Å; V387-L389 PolarHBondContact O-N 3.1Å | ||
| 388 | R | 33.9 | Very low | 34.7 | Very low | 214 Ų | 214 | 152.4 Ų | 152.4 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -60.5 | 121.2 | 166.5 | -91 | -178.8 | 147 | 91.6 | -1.3 | 107.8 | R386 D390 | R386-R388 PolarHBondContact O-N 3.29Å; R388-D390 PolarHBondContact O-N 2.92Å | ||
| 389 | L | 35.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 75.6 | 170.6 | -67.5 | 169.9 | 0 | 0 | 0 | 108.9 | V387 S391 | V387-L389 PolarHBondContact O-N 3.1Å; L389-S391 PolarHBondContact O-N 3.14Å | ||
| 390 | D | 35.7 | Very low | 35 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -76.6 | 115 | 163.6 | -66 | -18 | 0 | 0 | 0 | 106.8 | R388 T392 | R388-D390 PolarHBondContact O-N 2.92Å; D390-T392 VanDerWaalsContact C-N 3.31Å; D390-T392 PolarHBondContact O-N 2.99Å | ||
| 391 | S | 32.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 63.8 | -163.7 | -43.8 | 0 | 0 | 0 | 0 | 113.8 | L389 | L389-S391 PolarHBondContact O-N 3.14Š|
| 392 | T | 37.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 160.3 Ų | 160.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.1 | 18.7 | 167.5 | 57.4 | 0 | 0 | 0 | 0 | 116.1 | D390 | D390-T392 VanDerWaalsContact C-N 3.31Å; D390-T392 PolarHBondContact O-N 2.99Å |
| 393 | S | 29.3 | Very low | 35.4 | Very low | 94 Ų | 94 | 153.6 Ų | 153.6 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -140.4 | 68.4 | 177 | -158.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 394 | L | 35.2 | Very low | 35.4 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -93.6 | 90.5 | 150.4 | -88.1 | 159.3 | 0 | 0 | 0 | 105.8 | F396 | L394-F396 VanDerWaalsContact C-N 3.33Å; L394-F396 PolarHBondContact O-N 2.86Å | ||
| 395 | H | 29.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -64.1 | 100.8 | 162 | -101.1 | -68.2 | 0 | 0 | 0 | 106.8 | ||||
| 396 | F | 33.8 | Very low | 35.5 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -62.2 | 128.6 | 157.8 | -72 | -86.7 | 0 | 0 | 0 | 106.7 | L394 E398 | L394-F396 VanDerWaalsContact C-N 3.33Å; L394-F396 PolarHBondContact O-N 2.86Å; F396-E398 PolarHBondContact O-N 3.1Å; F396-E398 VanDerWaalsContact O-N 3.15Å | ||
| 397 | P | 34.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | trans | -58.8 | 121.4 | 169.9 | 22.5 | -29.2 | 0 | 0 | 0 | 108.2 | D399 | P397-D399 PolarHBondContact O-N 2.9Š| ||
| 398 | E | 38.8 | Very low | 35.6 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -66.3 | 14.3 | -177.7 | -79.9 | 173.5 | 146.8 | 0 | 0 | 114.2 | F396 L400 | F396-E398 PolarHBondContact O-N 3.1Å; F396-E398 VanDerWaalsContact O-N 3.15Å; E398-L400 VanDerWaalsContact C-N 3.35Å; E398-L400 PolarHBondContact O-N 3.19Å |
| 399 | D | 34.8 | Very low | 35.7 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 19.8 | -174.5 | -70.2 | -30 | 0 | 0 | 0 | 114.3 | P397 | P397-D399 PolarHBondContact O-N 2.9Š|
| 400 | L | 39.7 | Very low | 35.7 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 10.5 | 174.8 | -91.4 | 150.7 | 0 | 0 | 0 | 114.3 | E398 Y402 | E398-L400 VanDerWaalsContact C-N 3.35Å; E398-L400 PolarHBondContact O-N 3.19Å; L400-Y402 PolarHBondContact O-N 3.21Å |
| 401 | D | 41.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 9.6 | 178.1 | -90.4 | -11.3 | 0 | 0 | 0 | 114.9 | ||
| 402 | Y | 35.1 | Very low | 35.7 | Very low | 233 Ų | 233 | 137 Ų | 137 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | 56.6 | 174.5 | -100.9 | -87.7 | 0 | 0 | 0 | 112.5 | L400 | L400-Y402 PolarHBondContact O-N 3.21Š|
| 403 | A | 38.7 | Very low | 35.5 | Very low | 63 Ų | 63 | 134.5 Ų | 134.5 | 52% | 0.521 | 73% | 0.73 | S | S | . | * | trans | -105 | 93.9 | 155 | 0 | 0 | 0 | 0 | 0 | 108 | C405 | A403-C405 PolarHBondContact O-N 2.72Å; A403-C405 PolarHBondContact O-SG 2.79Å | ||
| 404 | D | 36.1 | Very low | 35.8 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | -62.7 | 90.3 | 164.4 | -175 | 0.4 | 0 | 0 | 0 | 108.1 | T406 A407 | D404-T406 PolarHBondContact O-N 3.45Å; D404-T406 WeakPolarHBondContact OD1-CB 3.29Å; D404-T406 PolarHBondContact OD1-N 2.88Å; D404-T406 PolarHBondContact OD1-OG1 3.28Å; D404-A407 PolarHBondContact O-N 2.9Å | ||
| 405 | C | 37.1 | Very low | 35.9 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 14.2 | -179.6 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | A403 | A403-C405 PolarHBondContact O-N 2.72Å; A403-C405 PolarHBondContact O-SG 2.79Å |
| 406 | T | 36.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -4.8 | 171.6 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | D404 N408 | D404-T406 PolarHBondContact O-N 3.45Å; D404-T406 WeakPolarHBondContact OD1-CB 3.29Å; D404-T406 PolarHBondContact OD1-N 2.88Å; D404-T406 PolarHBondContact OD1-OG1 3.28Å; T406-N408 PolarHBondContact O-N 3.46Å; T406-N408 VanDerWaalsContact O-N 3.07Å |
| 407 | A | 36.2 | Very low | 36.5 | Very low | 71 Ų | 71 | 133 Ų | 133 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | trans | -80.3 | 88.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D404 D409 | D404-A407 PolarHBondContact O-N 2.9Å; A407-D409 VanDerWaalsContact C-N 3.26Å; A407-D409 PolarHBondContact O-N 3.43Å | ||
| 408 | N | 37 | Very low | 36.6 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | -49.9 | 99.2 | 147.5 | -78 | -21.7 | 0 | 0 | 0 | 107.1 | T406 | T406-N408 PolarHBondContact O-N 3.46Å; T406-N408 VanDerWaalsContact O-N 3.07Å | ||
| 409 | D | 34.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 156.7 | 58.4 | 158.2 | -75.9 | -23.1 | 0 | 0 | 0 | 109.4 | A407 P411 | A407-D409 VanDerWaalsContact C-N 3.26Å; A407-D409 PolarHBondContact O-N 3.43Å; D409-P411 VanDerWaalsContact C-CD 3.41Å; D409-P411 WeakPolarHBondContact O-CD 3.5Å | ||
| 410 | I | 36.6 | Very low | 36.9 | Very low | 132 Ų | 132 | 133 Ų | 133 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | trans | -87.6 | 95.7 | 155 | -57.5 | 176.2 | 0 | 0 | 0 | 105.6 | F412 | I410-F412 HydrophobicContact CG2-CE2 4.42Å; I410-F412 PolarHBondContact O-N 3.25Å | ||
| 411 | P | 32.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -65.9 | 103.1 | 171.6 | 27.5 | -33.7 | 0 | 0 | 0 | 107.7 | D409 S413 | D409-P411 VanDerWaalsContact C-CD 3.41Å; D409-P411 WeakPolarHBondContact O-CD 3.5Å; P411-S413 PolarHBondContact O-N 3.36Å | ||
| 412 | F | 36 | Very low | 37.3 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -66.2 | 76 | 160 | -69.8 | -83 | 0 | 0 | 0 | 107.9 | I410 P414 | I410-F412 HydrophobicContact CG2-CE2 4.42Å; I410-F412 PolarHBondContact O-N 3.25Å; F412-P414 WeakPolarHBondContact O-CD 3.2Å | ||
| 413 | S | 32.9 | Very low | 37.7 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | trans | -72.5 | 120.9 | 163.1 | -145.4 | 0 | 0 | 0 | 0 | 106.3 | P411 F415 | P411-S413 PolarHBondContact O-N 3.36Å; S413-F415 PolarHBondContact O-N 2.92Å | ||
| 414 | P | 36 | Very low | 37.9 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -67 | 98.6 | 178.8 | 25.8 | -29.7 | 0 | 0 | 0 | 107.9 | F412 G416 | F412-P414 WeakPolarHBondContact O-CD 3.2Å; P414-G416 PolarHBondContact O-N 2.85Å | ||
| 415 | F | 36.8 | Very low | 38.3 | Very low | 204 Ų | 204 | 126 Ų | 126 | 90% | 0.895 | 70% | 0.703 | S | S | * | * | trans | -64.9 | 100.7 | 170.9 | -93 | -89.4 | 0 | 0 | 0 | 108.3 | S413 | S413-F415 PolarHBondContact O-N 2.92Š| ||
| 416 | G | 35.5 | Very low | 38.8 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | 57.8 | 79.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P414 E418 | P414-G416 PolarHBondContact O-N 2.85Å; G416-E418 PolarHBondContact O-N 2.86Å | ||
| 417 | E | 39.8 | Very low | 38.9 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | trans | -64.3 | 82.1 | 155.2 | -65.4 | 171.4 | -170 | 0 | 0 | 108.5 | L419 | E417-L419 PolarHBondContact O-N 3.36Å; E417-L419 VanDerWaalsContact O-N 3.13Å | ||
| 418 | E | 36.2 | Very low | 39.1 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | -68.8 | 105.1 | 157.4 | -170.6 | 169.7 | -168.7 | 0 | 0 | 105.6 | G416 V420 | G416-E418 PolarHBondContact O-N 2.86Å; E418-V420 PolarHBondContact O-N 2.59Å | ||
| 419 | L | 39.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | trans | -60.3 | 87.6 | 176 | -69.2 | 168.3 | 0 | 0 | 0 | 108.3 | E417 D421 | E417-L419 PolarHBondContact O-N 3.36Å; E417-L419 VanDerWaalsContact O-N 3.13Å; L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 2.69Å | ||
| 420 | V | 41 | Very low | 39 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 56% | 0.564 | 70% | 0.697 | S | S | * | * | trans | -66.7 | 95.6 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | E418 L422 L425 | E418-V420 PolarHBondContact O-N 2.59Å; V420-L422 PolarHBondContact O-N 3.17Å; V420-L422 VanDerWaalsContact O-N 3.08Å; V420-L425 HydrophobicContact CG1-CD1 3.85Å; V420-L425 HydrophobicContact CG1-CG 4.2Å | ||
| 421 | D | 47.6 | Very low | 38.8 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 48% | 0.481 | 70% | 0.702 | S | S | . | * | trans | -57.4 | 112.7 | 171.6 | -179.9 | 9.6 | 0 | 0 | 0 | 108.4 | L419 H423 S424 | L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 2.69Å; D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 IonicContact OD1-CD2 2.85Å; D421-H423 PolarHBondContact OD1-CD2 3.46Å; D421-H423 VanDerWaalsContact OD1-CD2 3.25Å; D421-H423 IonicContact OD1-CG 3.25Å; D421-H423 PolarHBondContact OD1-N 2.9Å; D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.88Å | ||
| 422 | L | 43.6 | Very low | 39 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -55 | -22.7 | -178.1 | -115.8 | 81.1 | 0 | 0 | 0 | 112.3 | V420 S424 L425 | V420-L422 PolarHBondContact O-N 3.17Å; V420-L422 VanDerWaalsContact O-N 3.08Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.19Å; L422-L425 PolarHBondContact O-N 3.2Å |
| 423 | H | 42.5 | Very low | 39.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 60% | 0.602 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.2 | -28.2 | 175.1 | -69.4 | -66 | 0 | 0 | 0 | 112.8 | D421 F427 | D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 IonicContact OD1-CD2 2.85Å; D421-H423 PolarHBondContact OD1-CD2 3.46Å; D421-H423 VanDerWaalsContact OD1-CD2 3.25Å; D421-H423 IonicContact OD1-CG 3.25Å; D421-H423 PolarHBondContact OD1-N 2.9Å; H423-F427 WeakPolarHBondContact O-CD2 3.21Å |
| 424 | S | 43.4 | Very low | 39.2 | Very low | 79 Ų | 79 | 129 Ų | 129 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73.1 | -28.5 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | D421 L422 | D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.88Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.19Å |
| 425 | L | 44.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -78.8 | -16.4 | -179.2 | -72.8 | 171.8 | 0 | 0 | 0 | 113.9 | V420 L422 | V420-L425 HydrophobicContact CG1-CD1 3.85Å; V420-L425 HydrophobicContact CG1-CG 4.2Å; L422-L425 PolarHBondContact O-N 3.2Å |
| 426 | V | 46.2 | Very low | 39.1 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -93 | -15.5 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 427 | F | 39.2 | Very low | 39.4 | Very low | 158 Ų | 158 | 130 Ų | 130 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.6 | -6.2 | -174.4 | -74 | -65.9 | 0 | 0 | 0 | 116.7 | H423 S429 | H423-F427 WeakPolarHBondContact O-CD2 3.21Å; F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.85Å |
| 428 | D | 39.4 | Very low | 39.4 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -85.9 | 7.9 | -177.3 | -89.1 | -4.5 | 0 | 0 | 0 | 115.4 | ||
| 429 | S | 37.3 | Very low | 39.7 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -154.8 | 78.1 | 170 | -73.5 | 0 | 0 | 0 | 0 | 111 | F427 | F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.85Å |
| 430 | I | 33.4 | Very low | 40 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | -175.5 | 92.5 | 137.8 | -78.9 | 135.3 | 0 | 0 | 0 | 105.8 | ||||
| 431 | S | 32.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -67.6 | 136 | 158.4 | -49.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 432 | D | 35.8 | Very low | 39.9 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 67.6 | 68 | 162.3 | -59 | -31 | 0 | 0 | 0 | 119.1 | ||
| 433 | I | 37.6 | Very low | 40.2 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | -150 | 128.6 | 137.5 | -77.8 | 113.9 | 0 | 0 | 0 | 108.4 | S435 | I433-S435 PolarHBondContact O-N 3.48Š| ||
| 434 | P | 35.8 | Very low | 40.5 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -66.6 | 129.6 | -177.2 | 25.8 | -33.2 | 0 | 0 | 0 | 112.6 | N436 | P434-N436 PolarHBondContact O-N 3.32Š| ||
| 435 | S | 37.1 | Very low | 41 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -60.3 | 107.4 | 171.6 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | I433 | I433-S435 PolarHBondContact O-N 3.48Š| ||
| 436 | N | 34.3 | Very low | 41.1 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | -143.4 | 67.5 | 153.9 | -90 | -44.5 | 0 | 0 | 0 | 106.7 | P434 | P434-N436 PolarHBondContact O-N 3.32Š| ||
| 437 | V | 41.1 | Very low | 41.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | trans | -99.6 | 91.6 | 164.5 | -177.1 | 0 | 0 | 0 | 0 | 105.4 | E439 | V437-E439 PolarHBondContact O-N 3.44Š| ||
| 438 | D | 39.5 | Very low | 42.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | -54.1 | 127.6 | 170.5 | -129.8 | -23.5 | 0 | 0 | 0 | 108.5 | T440 | D438-T440 PolarHBondContact O-N 3.03Š| ||
| 439 | E | 43.2 | Very low | 43.3 | Very low | 185 Ų | 185 | 124.5 Ų | 124.5 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -68.6 | 15.9 | 179.3 | -67.2 | -142.4 | 147.2 | 0 | 0 | 113.6 | V437 S441 | V437-E439 PolarHBondContact O-N 3.44Å; E439-S441 VanDerWaalsContact C-N 3.28Å; E439-S441 PolarHBondContact O-N 2.88Å |
| 440 | T | 44.7 | Very low | 44.5 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | trans | -89.5 | 19.2 | 175.9 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | D438 F442 | D438-T440 PolarHBondContact O-N 3.03Å; T440-F442 PolarHBondContact O-N 3.2Å | ||
| 441 | S | 45.1 | Very low | 45.6 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | trans | -83.1 | 22.6 | 175.5 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | E439 D443 | E439-S441 VanDerWaalsContact C-N 3.28Å; E439-S441 PolarHBondContact O-N 2.88Å; S441-D443 PolarHBondContact O-N 2.8Å | ||
| 442 | F | 41.2 | Very low | 47 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | trans | -71.2 | 112.4 | 158 | -97.2 | -90.7 | 0 | 0 | 0 | 109 | T440 P444 | T440-F442 PolarHBondContact O-N 3.2Å; F442-P444 VanDerWaalsContact O-CD 3.31Å; F442-P444 WeakPolarHBondContact O-CD 3.42Å | ||
| 443 | D | 50.6 | Low | 48 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | trans | -59.1 | 115 | 173.2 | -174.8 | -7.6 | 0 | 0 | 0 | 109.5 | S441 A445 Y446 | S441-D443 PolarHBondContact O-N 2.8Å; D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 VanDerWaalsContact OD1-CB 3.3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.84Å; D443-A445 VanDerWaalsContact OD1-N 3.07Å; D443-Y446 PolarHBondContact O-N 2.81Å; D443-Y446 VanDerWaalsContact O-N 3.14Å | ||
| 444 | P | 48.9 | Very low | 49 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -0.6 | -179.7 | 25.3 | -31.3 | 0 | 0 | 0 | 113.6 | F442 Y446 | F442-P444 VanDerWaalsContact O-CD 3.31Å; F442-P444 WeakPolarHBondContact O-CD 3.42Å; P444-Y446 PolarHBondContact O-N 2.76Å |
| 445 | A | 53 | Low | 50 | Low | 68 Ų | 68 | 128.2 Ų | 128.2 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -15 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D443 | D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 VanDerWaalsContact OD1-CB 3.3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.84Å; D443-A445 VanDerWaalsContact OD1-N 3.07Å |
| 446 | Y | 48 | Very low | 50.5 | Low | 178 Ų | 178 | 129.9 Ų | 129.9 | 70% | 0.698 | 71% | 0.705 | S | S | * | * | trans | -115.9 | 82.1 | 175.6 | -66 | -82.6 | 0 | 0 | 0 | 109.7 | D443 P444 I448 | D443-Y446 PolarHBondContact O-N 2.81Å; D443-Y446 VanDerWaalsContact O-N 3.14Å; P444-Y446 PolarHBondContact O-N 2.76Å; Y446-I448 PolarHBondContact O-N 3.19Å | ||
| 447 | D | 52.9 | Low | 51.3 | Low | 95 Ų | 95 | 128.4 Ų | 128.4 | 51% | 0.508 | 70% | 0.697 | S | S | . | * | trans | -67.2 | 121.2 | 158.9 | -165.7 | -27.3 | 0 | 0 | 0 | 106.9 | S449 D450 | D447-S449 PolarHBondContact O-N 3.05Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.44Å; D447-S449 PolarHBondContact OD1-N 3.07Å; D447-S449 VanDerWaalsContact OD1-N 3.1Å; D447-S449 PolarHBondContact OD1-OG 3.08Å; D447-D450 PolarHBondContact O-N 2.92Å | ||
| 448 | I | 56.9 | Low | 51.8 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -52.8 | -26.2 | 178.8 | -64.4 | 165.4 | 0 | 0 | 0 | 110.6 | Y446 D450 L451 M452 | Y446-I448 PolarHBondContact O-N 3.19Å; I448-D450 VanDerWaalsContact C-N 3.32Å; I448-D450 PolarHBondContact O-N 3.39Å; I448-L451 PolarHBondContact O-N 2.94Å; I448-M452 PolarHBondContact O-N 3.33Å |
| 449 | S | 61.5 | Low | 52.5 | Low | 73 Ų | 73 | 128.5 Ų | 128.5 | 51% | 0.51 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -59.8 | -35.7 | 174.7 | -48.3 | 0 | 0 | 0 | 0 | 113.6 | D447 Q453 | D447-S449 PolarHBondContact O-N 3.05Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.44Å; D447-S449 PolarHBondContact OD1-N 3.07Å; D447-S449 VanDerWaalsContact OD1-N 3.1Å; D447-S449 PolarHBondContact OD1-OG 3.08Å; S449-Q453 PolarHBondContact O-N 3Å |
| 450 | D | 61 | Low | 53.1 | Low | 105 Ų | 105 | 125.2 Ų | 125.2 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.2 | -30.3 | 178.7 | -84.2 | -11.2 | 0 | 0 | 0 | 111.9 | D447 I448 | D447-D450 PolarHBondContact O-N 2.92Å; I448-D450 VanDerWaalsContact C-N 3.32Å; I448-D450 PolarHBondContact O-N 3.39Å |
| 451 | L | 56.9 | Low | 53.6 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74 | -33.7 | 177.6 | -159.6 | 74.3 | 0 | 0 | 0 | 111.9 | I448 Q453 | I448-L451 PolarHBondContact O-N 2.94Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.43Å |
| 452 | M | 62.5 | Low | 54.2 | Low | 131 Ų | 131 | 127.6 Ų | 127.6 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.6 | -24.2 | 177.7 | -75.5 | -84.3 | -63.7 | 0 | 0 | 113.1 | I448 H454 F455 | I448-M452 PolarHBondContact O-N 3.33Å; M452-H454 PolarHBondContact O-N 3.36Å; M452-F455 PolarHBondContact O-N 3.12Å |
| 453 | Q | 56.7 | Low | 55.1 | Low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -14.8 | -177.3 | -129.7 | 177.4 | 28.8 | 0 | 0 | 113.8 | S449 L451 F455 | S449-Q453 PolarHBondContact O-N 3Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.43Å; Q453-F455 VanDerWaalsContact C-N 3.33Å |
| 454 | H | 57 | Low | 55.4 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 75% | 0.75 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -8.7 | 174.2 | -72 | -55.3 | 0 | 0 | 0 | 114 | M452 | M452-H454 PolarHBondContact O-N 3.36Š|
| 455 | F | 57.6 | Low | 56 | Low | 183 Ų | 183 | 127.6 Ų | 127.6 | 80% | 0.803 | 68% | 0.682 | S | S | * | * | trans | -115.7 | 2.3 | -177.1 | -64.5 | -75.5 | 0 | 0 | 0 | 114.3 | M452 Q453 | M452-F455 PolarHBondContact O-N 3.12Å; Q453-F455 VanDerWaalsContact C-N 3.33Å | ||
| 456 | A | 47.8 | Very low | 56.3 | Low | 145 Ų | 145 | 133 Ų | 133 | 100% | 1.198 | 69% | 0.693 | S | S | * | * | trans | -104.5 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 456 of 456 residues in 192.3 ms
(Link to these results)