| 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 | 40 | Very low | 34.5 | Very low | 248 Ų | 248 | 124.5 Ų | 124.5 | 100% | 1.222 | 86% | 0.857 | S | S | * | * | 0 | 110.1 | 0 | -76.8 | -173.8 | 161.3 | 0 | 0 | 106.7 | |||||
| 2 | S | 35.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 87% | 0.874 | 86% | 0.857 | S | S | * | * | trans | -113.6 | 130.9 | -172.1 | -47 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | A | 32.1 | Very low | 34.1 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | 178.6 | 142.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | S | 31.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | cis | -172.4 | 118.6 | -20.9 | 50.3 | 0 | 0 | 0 | 0 | 103 | G6 | S4-G6 PolarHBondContact O-N 3.27Š| ||
| 5 | T | 38.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 124 Ų | 124 | 92% | 0.92 | 84% | 0.844 | S | S | * | * | trans | -74.7 | 113 | 171.6 | 45.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | G | 29.9 | Very low | 34.4 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | trans | -110.6 | 101.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | S4 | S4-G6 PolarHBondContact O-N 3.27Š| ||
| 7 | S | 34.5 | Very low | 34.3 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -79.2 | 138.6 | 167.7 | 37.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | S | 32.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -143.8 | 156.2 | 170 | -80.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | P | 34.7 | Very low | 35.5 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -91.8 | 171.4 | -141.4 | 35.9 | -35.2 | 0 | 0 | 0 | 115.2 | G11 | P9-G11 PolarHBondContact O-N 2.89Š| ||
| 10 | P | 41 | Very low | 36 | Very low | 134 Ų | 134 | 121 Ų | 121 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -78.4 | 106.3 | -174.3 | 31.9 | -30.7 | 0 | 0 | 0 | 110.5 | ||||
| 11 | G | 29.9 | Very low | 37 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 124.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P9 S13 | P9-G11 PolarHBondContact O-N 2.89Å; G11-S13 PolarHBondContact O-N 3.48Å | ||
| 12 | H | 32.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 110.6 Ų | 110.6 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -30.9 | 120.4 | 178 | -77.3 | -87.1 | 0 | 0 | 0 | 115.5 | S14 | H12-S14 VanDerWaalsContact C-N 3.26Å; H12-S14 PolarHBondContact O-N 2.93Å | ||
| 13 | S | 31.3 | Very low | 39.4 | Very low | 126 Ų | 126 | 107.3 Ų | 107.3 | 88% | 0.881 | 72% | 0.721 | S | S | * | * | trans | -70.8 | 81.2 | 164.1 | 57 | 0 | 0 | 0 | 0 | 110 | G11 G15 | G11-S13 PolarHBondContact O-N 3.48Å; S13-G15 PolarHBondContact O-N 2.83Å | ||
| 14 | S | 38.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -77.9 | 110.8 | 165.9 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | H12 | H12-S14 VanDerWaalsContact C-N 3.26Å; H12-S14 PolarHBondContact O-N 2.93Å | ||
| 15 | G | 34 | Very low | 44 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | 62.9 | 86.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117 | S13 G17 | S13-G15 PolarHBondContact O-N 2.83Å; G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | L | 34.9 | Very low | 46.2 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 83% | 0.832 | 66% | 0.657 | S | S | * | * | trans | -57.6 | 112 | 152.3 | -80.3 | 156.2 | 0 | 0 | 0 | 108.1 | ||||
| 17 | G | 33.3 | Very low | 48.8 | Very low | 43 Ų | 43 | 106.8 Ų | 106.8 | 44% | 0.443 | 65% | 0.646 | S | S | . | * | trans | -71.2 | 178.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G15 S19 M20 | G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.1Å; G17-S19 PolarHBondContact O-N 3.46Å; G17-M20 PolarHBondContact O-N 3.1Å | ||
| 18 | P | 48 | Very low | 51.4 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -59.4 | -12.3 | -172.4 | -20.6 | 31.5 | 0 | 0 | 0 | 115.8 | M20 S21 | P18-M20 VanDerWaalsContact C-N 3.3Å; P18-M20 PolarHBondContact O-N 2.9Å; P18-S21 PolarHBondContact O-N 2.95Å; P18-S21 VanDerWaalsContact O-N 3.13Å |
| 19 | S | 42.3 | Very low | 54.1 | Low | 97 Ų | 97 | 102.5 Ų | 102.5 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -59 | -35.5 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | G17 S21 M22 | G17-S19 PolarHBondContact O-N 3.46Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.33Å; S19-M22 PolarHBondContact O-N 2.96Å |
| 20 | M | 45.7 | Very low | 56.8 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -71.1 | -16.9 | 178.1 | -89 | -149.6 | 176.4 | 0 | 0 | 114.2 | G17 P18 | G17-M20 PolarHBondContact O-N 3.1Å; P18-M20 VanDerWaalsContact C-N 3.3Å; P18-M20 PolarHBondContact O-N 2.9Å |
| 21 | S | 56.3 | Low | 59.2 | Low | 85 Ų | 85 | 101.3 Ų | 101.3 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -87.7 | -11.9 | -179.4 | -170.7 | 0 | 0 | 0 | 0 | 113.4 | P18 S19 | P18-S21 PolarHBondContact O-N 2.95Å; P18-S21 VanDerWaalsContact O-N 3.13Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.33Å |
| 22 | M | 59.2 | Low | 62.2 | Low | 66 Ų | 66 | 103.8 Ų | 103.8 | 33% | 0.325 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -82.3 | -20.3 | -160.8 | -128.9 | 161.5 | -147 | 0 | 0 | 114.5 | S19 W25 F80 | S19-M22 PolarHBondContact O-N 2.96Å; M22-W25 PolarHBondContact O-NE1 3.48Å; M22-F80 HydrophobicContact CB-CE1 4.38Å; M22-F80 HydrophobicContact CE-CE1 4.06Å; M22-F80 HydrophobicContact CE-CZ 3.84Å; M22-F80 HydrophobicContact CG-CE1 3.5Å; M22-F80 VanDerWaalsContact CG-CE1 3.5Å; M22-F80 HydrophobicContact CG-CE2 4.34Å; M22-F80 HydrophobicContact CG-CZ 3.36Å; M22-F80 HydrophobicContact SD-CD1 4.42Å; M22-F80 HydrophobicContact SD-CE1 3.23Å; M22-F80 WeakPolarHBondContact SD-CE1 3.43Å; M22-F80 HydrophobicContact SD-CZ 3.5Å; M22-F80 VanDerWaalsContact SD-CZ 3.5Å |
| 23 | F | 68.6 | Low | 65.2 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 25% | 0.246 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -113.6 | 5.1 | 179.4 | -64.3 | -72.9 | 0 | 0 | 0 | 113.8 | W25 L26 E27 Q77 F80 | F23-W25 PolarHBondContact O-N 2.89Å; F23-W25 VanDerWaalsContact O-N 3.12Å; F23-L26 HydrophobicContact CD1-CD2 4.13Å; F23-L26 WeakPolarHBondContact O-CA 3.39Å; F23-L26 WeakPolarHBondContact O-CB 3.48Å; F23-L26 PolarHBondContact O-N 2.95Å; F23-E27 WeakPolarHBondContact O-CG 3.37Å; F23-E27 PolarHBondContact O-N 3.38Å; F23-Q77 HydrophobicContact CD1-CG 4.32Å; F23-Q77 HydrophobicContact CE1-CB 4.42Å; F23-Q77 HydrophobicContact CE1-CG 3.98Å; F23-F80 HydrophobicContact CE1-CB 4.33Å; F23-F80 HydrophobicContact CE1-CD1 4.36Å; F23-F80 HydrophobicContact CE1-CG 4.33Å; F23-F80 HydrophobicContact CZ-CB 4.46Å; F23-F80 AromaticContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CG 4.35Å |
| 24 | R | 77.9 | Confident | 68.2 | Low | 174 Ų | 174 | 96.1 Ų | 96.1 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.5 | -33.5 | -177.8 | -170.8 | 174.1 | 178.2 | 172.4 | 0.2 | 112.8 | V28 | R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 3.24Å; R24-V28 VanDerWaalsContact O-N 3.14Å |
| 25 | W | 80 | Confident | 70.9 | Confident | 128 Ų | 128 | 97.5 Ų | 97.5 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.1 | -36.2 | 176 | 69.6 | -89.6 | 0 | 0 | 0 | 112.2 | M22 F23 V28 L29 T76 | M22-W25 PolarHBondContact O-NE1 3.48Å; F23-W25 PolarHBondContact O-N 2.89Å; F23-W25 VanDerWaalsContact O-N 3.12Å; W25-V28 PolarHBondContact O-N 3.32Å; W25-L29 HydrophobicContact CE3-CD1 3.51Å; W25-L29 HydrophobicContact CE3-CG 4.39Å; W25-L29 HydrophobicContact CZ3-CD1 3.49Å; W25-L29 VanDerWaalsContact CZ3-CD1 3.49Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.45Å; W25-T76 HydrophobicContact CH2-CG2 3.75Å; W25-T76 HydrophobicContact CZ2-CG2 4.01Å |
| 26 | L | 85.1 | Confident | 73.8 | Confident | 7 Ų | 7 | 96.6 Ų | 96.6 | 4% | 0.037 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 177.4 | -171.3 | 68.5 | 0 | 0 | 0 | 110.2 | F23 V28 L29 E30 Q77 | F23-L26 HydrophobicContact CD1-CD2 4.13Å; F23-L26 WeakPolarHBondContact O-CA 3.39Å; F23-L26 WeakPolarHBondContact O-CB 3.48Å; F23-L26 PolarHBondContact O-N 2.95Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.34Å; L26-E30 WeakPolarHBondContact O-CB 3.33Å; L26-E30 WeakPolarHBondContact O-CG 3.36Å; L26-E30 PolarHBondContact O-N 3.43Å; L26-Q77 HydrophobicContact CD2-CG 3.57Å |
| 27 | E | 85 | Confident | 76.7 | Confident | 117 Ų | 117 | 91.9 Ų | 91.9 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 172.4 | -69 | 173.2 | -178.4 | 0 | 0 | 112.3 | F23 K31 | F23-E27 WeakPolarHBondContact O-CG 3.37Å; F23-E27 PolarHBondContact O-N 3.38Å; E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 PolarHBondContact O-N 2.82Å |
| 28 | V | 89 | Confident | 79.7 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | R24 W25 L26 K31 E32 | R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 3.24Å; R24-V28 VanDerWaalsContact O-N 3.14Å; W25-V28 PolarHBondContact O-N 3.32Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.91Å; V28-K31 PolarHBondContact O-N 2.9Å; V28-E32 WeakPolarHBondContact O-CG 3.44Å; V28-E32 PolarHBondContact O-N 3.48Å |
| 29 | L | 88.6 | Confident | 81.9 | Confident | 74 Ų | 74 | 92 Ų | 92 | 39% | 0.387 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.9 | -72.9 | 177.1 | 0 | 0 | 0 | 112.6 | W25 L26 K31 E32 F33 | W25-L29 HydrophobicContact CE3-CD1 3.51Å; W25-L29 HydrophobicContact CE3-CG 4.39Å; W25-L29 HydrophobicContact CZ3-CD1 3.49Å; W25-L29 VanDerWaalsContact CZ3-CD1 3.49Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.45Å; L26-L29 PolarHBondContact O-N 3.34Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.26Å; L29-E32 PolarHBondContact O-N 3.45Å; L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.12Å |
| 30 | E | 92.1 | Very high | 84.4 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 31% | 0.308 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.3 | -76.5 | 177.8 | -179.1 | 0 | 0 | 110.7 | L26 E32 F33 D34 F69 C73 | L26-E30 WeakPolarHBondContact O-CB 3.33Å; L26-E30 WeakPolarHBondContact O-CG 3.36Å; L26-E30 PolarHBondContact O-N 3.43Å; E30-E32 PolarHBondContact O-N 3.48Å; E30-F33 PolarHBondContact O-N 3.04Å; E30-D34 WeakPolarHBondContact O-CB 3.47Å; E30-D34 PolarHBondContact O-N 2.89Å; E30-F69 HydrophobicContact CB-CE1 4.42Å; E30-F69 HydrophobicContact CG-CE1 3.87Å; E30-F69 HydrophobicContact CG-CZ 4.11Å; E30-C73 PolarHBondContact OE1-SG 3.07Å; E30-C73 VanDerWaalsContact OE1-SG 3.37Å |
| 31 | K | 92 | Very high | 86.7 | Confident | 159 Ų | 159 | 85.5 Ų | 85.5 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 177.1 | -173.8 | 179 | -179.7 | 179.6 | 0 | 113.2 | E27 V28 L29 K35 | E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 PolarHBondContact O-N 2.82Å; V28-K31 PolarHBondContact O-N 2.9Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.26Å; K31-K35 WeakPolarHBondContact O-CB 3.38Å; K31-K35 PolarHBondContact O-N 3.31Å |
| 32 | E | 92.3 | Very high | 88.6 | Confident | 125 Ų | 125 | 86.5 Ų | 86.5 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.9 | -40 | 176 | -76 | -175.3 | 172.3 | 0 | 0 | 111.5 | V28 L29 E30 K35 A36 | V28-E32 WeakPolarHBondContact O-CG 3.44Å; V28-E32 PolarHBondContact O-N 3.48Å; L29-E32 PolarHBondContact O-N 3.45Å; E30-E32 PolarHBondContact O-N 3.48Å; E32-K35 PolarHBondContact O-N 3.28Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.39Å |
| 33 | F | 95.5 | Very high | 90.2 | Very high | 49 Ų | 49 | 88.5 Ų | 88.5 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 174 | 179.7 | -90.9 | 0 | 0 | 0 | 111.3 | L29 E30 K35 A36 F37 F69 | L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.12Å; E30-F33 PolarHBondContact O-N 3.04Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 2.92Å; F33-A36 PolarHBondContact O-N 3.25Å; F33-F37 HydrophobicContact CE1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CD2 4.07Å; F33-F37 HydrophobicContact CZ-CD2 4.12Å; F33-F37 VanDerWaalsContact O-CB 3.28Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.2Å; F33-F69 HydrophobicContact CB-CD1 4.17Å; F33-F69 HydrophobicContact CB-CE1 3.64Å; F33-F69 HydrophobicContact CB-CE2 4.29Å; F33-F69 HydrophobicContact CB-CZ 3.72Å; F33-F69 AromaticContact CD1-CD1 3.5Å; F33-F69 HydrophobicContact CD1-CD1 3.5Å; F33-F69 AromaticContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CG 4.15Å; F33-F69 HydrophobicContact CD2-CB 4.31Å; F33-F69 AromaticContact CD2-CD1 3.96Å; F33-F69 HydrophobicContact CD2-CD1 3.96Å; F33-F69 AromaticContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CE1 4.24Å; F33-F69 HydrophobicContact CD2-CE2 4.28Å; F33-F69 AromaticContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CZ 4.4Å; F33-F69 HydrophobicContact CE1-CB 4.28Å; F33-F69 AromaticContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CG 4.24Å; F33-F69 HydrophobicContact CE2-CB 3.88Å; F33-F69 HydrophobicContact CE2-CD1 4.25Å; F33-F69 HydrophobicContact CE2-CD2 4.34Å; F33-F69 AromaticContact CE2-CG 3.9Å; F33-F69 HydrophobicContact CE2-CG 3.9Å; F33-F69 AromaticContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD2 4.3Å; F33-F69 AromaticContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE2 4.33Å; F33-F69 AromaticContact CG-CG 3.95Å; F33-F69 HydrophobicContact CG-CG 3.95Å; F33-F69 AromaticContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CZ-CB 3.88Å; F33-F69 HydrophobicContact CZ-CD1 4.2Å; F33-F69 HydrophobicContact CZ-CG 4.13Å |
| 34 | D | 94.9 | Very high | 91.4 | Very high | 99 Ų | 99 | 86.9 Ų | 86.9 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 179.1 | -74.8 | -16.9 | 0 | 0 | 0 | 111.7 | E30 F37 V38 | E30-D34 WeakPolarHBondContact O-CB 3.47Å; E30-D34 PolarHBondContact O-N 2.89Å; D34-F37 WeakPolarHBondContact O-CB 3.48Å; D34-F37 PolarHBondContact O-N 3.23Å; D34-V38 WeakPolarHBondContact O-CG2 3.43Å; D34-V38 PolarHBondContact O-N 3.07Å |
| 35 | K | 94.1 | Very high | 92 | Very high | 141 Ų | 141 | 81.1 Ų | 81.1 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.3 | -51 | 175.5 | -176.3 | -176 | 174.7 | -171.8 | 0 | 111.2 | K31 E32 F33 F37 V38 D39 | K31-K35 WeakPolarHBondContact O-CB 3.38Å; K31-K35 PolarHBondContact O-N 3.31Å; E32-K35 PolarHBondContact O-N 3.28Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 2.92Å; K35-F37 VanDerWaalsContact C-N 3.26Å; K35-F37 PolarHBondContact O-N 3.4Å; K35-V38 PolarHBondContact O-N 2.89Å; K35-D39 VanDerWaalsContact O-CG 3.3Å; K35-D39 PolarHBondContact O-N 2.83Å |
| 36 | A | 94.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 82.5 Ų | 82.5 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E32 F33 D39 V40 | E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.39Å; F33-A36 PolarHBondContact O-N 3.25Å; A36-D39 PolarHBondContact O-N 3.04Å; A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 3.43Å |
| 37 | F | 95.5 | Very high | 92.8 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 26% | 0.263 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.7 | -169.3 | -82.5 | 0 | 0 | 0 | 111 | F33 D34 K35 V40 D41 M62 | F33-F37 HydrophobicContact CE1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CD2 4.07Å; F33-F37 HydrophobicContact CZ-CD2 4.12Å; F33-F37 VanDerWaalsContact O-CB 3.28Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.2Å; D34-F37 WeakPolarHBondContact O-CB 3.48Å; D34-F37 PolarHBondContact O-N 3.23Å; K35-F37 VanDerWaalsContact C-N 3.26Å; K35-F37 PolarHBondContact O-N 3.4Å; F37-V40 PolarHBondContact O-N 3Å; F37-D41 PolarHBondContact O-N 2.96Å; F37-M62 HydrophobicContact CD1-CE 3.78Å; F37-M62 HydrophobicContact CD2-CE 3.8Å; F37-M62 HydrophobicContact CE1-CE 3.77Å; F37-M62 HydrophobicContact CE2-CB 3.74Å; F37-M62 HydrophobicContact CE2-CE 3.81Å; F37-M62 WeakPolarHBondContact CE2-O 3.34Å; F37-M62 HydrophobicContact CG-CE 3.79Å; F37-M62 HydrophobicContact CZ-CB 3.99Å; F37-M62 HydrophobicContact CZ-CE 3.79Å; F37-M62 WeakPolarHBondContact O-CE 3.29Å |
| 38 | V | 96.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 83 Ų | 83 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | D34 K35 V40 D41 L42 | D34-V38 WeakPolarHBondContact O-CG2 3.43Å; D34-V38 PolarHBondContact O-N 3.07Å; K35-V38 PolarHBondContact O-N 2.89Å; V38-V40 VanDerWaalsContact C-N 3.32Å; V38-V40 PolarHBondContact O-N 2.91Å; V38-D41 PolarHBondContact O-N 3.08Å; V38-D41 VanDerWaalsContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.64Å |
| 39 | D | 95.2 | Very high | 92.8 | Very high | 76 Ų | 76 | 84.5 Ų | 84.5 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 180 | -68.9 | -19.8 | 0 | 0 | 0 | 111.4 | K35 A36 L43 | K35-D39 VanDerWaalsContact O-CG 3.3Å; K35-D39 PolarHBondContact O-N 2.83Å; A36-D39 PolarHBondContact O-N 3.04Å; D39-L43 WeakPolarHBondContact O-CG 3.37Å; D39-L43 PolarHBondContact O-N 2.93Å; D39-L43 VanDerWaalsContact O-N 3.13Å |
| 40 | V | 94.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 88.2 Ų | 88.2 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | A36 F37 V38 L42 L43 L44 M62 | A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 3.43Å; F37-V40 PolarHBondContact O-N 3Å; V38-V40 VanDerWaalsContact C-N 3.32Å; V38-V40 PolarHBondContact O-N 2.91Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.95Å; V40-L43 PolarHBondContact O-N 3.47Å; V40-L44 HydrophobicContact CG1-CD1 4.44Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.08Å; V40-M62 HydrophobicContact CB-CE 3.9Å; V40-M62 HydrophobicContact CB-SD 4.07Å; V40-M62 HydrophobicContact CG1-CE 3.98Å; V40-M62 HydrophobicContact CG1-CG 4.2Å; V40-M62 HydrophobicContact CG1-SD 3.47Å; V40-M62 WeakPolarHBondContact CG1-SD 3.31Å |
| 41 | D | 95 | Very high | 92.6 | Very high | 45 Ų | 45 | 89.6 Ų | 89.6 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 178.5 | -160.9 | 66.3 | 0 | 0 | 0 | 112.3 | F37 V38 L44 G45 R59 M62 | F37-D41 PolarHBondContact O-N 2.96Å; V38-D41 PolarHBondContact O-N 3.08Å; V38-D41 VanDerWaalsContact O-N 3.16Å; D41-L44 PolarHBondContact O-N 2.91Å; D41-G45 PolarHBondContact O-N 3.18Å; D41-G45 VanDerWaalsContact O-N 3.16Å; D41-R59 PolarHBondContact O-NH2 3.39Å; D41-R59 IonicContact OD1-CZ 2.72Å; D41-R59 IonicContact OD1-NE 3.73Å; D41-R59 IonicContact OD1-NH1 2.71Å; D41-R59 PolarHBondContact OD1-NH1 3.11Å; D41-R59 IonicContact OD1-NH2 3.92Å; D41-R59 IonicContact OD2-CZ 2.8Å; D41-R59 IonicContact OD2-NH1 3.92Å; D41-R59 PolarHBondContact OD2-NH1 3.11Å; D41-R59 IonicContact OD2-NH2 3.97Å; D41-R59 PolarHBondContact OD2-NH2 3.23Å; D41-M62 HydrophobicContact CB-CE 3.98Å |
| 42 | L | 95.1 | Very high | 92.4 | Very high | 106 Ų | 106 | 86.6 Ų | 86.6 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.7 | -48.2 | 173.3 | -71.7 | 172 | 0 | 0 | 0 | 111.1 | V38 V40 L44 G45 E46 | V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.64Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.95Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.12Å; L42-G45 WeakPolarHBondContact O-CA 3.44Å; L42-G45 PolarHBondContact O-N 3.5Å; L42-E46 PolarHBondContact O-N 3.11Å |
| 43 | L | 93.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 86.8 Ų | 86.8 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | 177.1 | -70.8 | 172.4 | 0 | 0 | 0 | 112.4 | D39 V40 G45 E46 | D39-L43 WeakPolarHBondContact O-CG 3.37Å; D39-L43 PolarHBondContact O-N 2.93Å; D39-L43 VanDerWaalsContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 3.47Å; L43-G45 PolarHBondContact O-N 3.4Å; L43-E46 PolarHBondContact O-N 2.9Å |
| 44 | L | 92.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 88.5 Ų | 88.5 | 12% | 0.115 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.1 | -24.8 | 174.2 | -73 | 178.8 | 0 | 0 | 0 | 112.9 | V40 D41 L42 I47 T55 R59 M62 | V40-L44 HydrophobicContact CG1-CD1 4.44Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.08Å; D41-L44 PolarHBondContact O-N 2.91Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.12Å; L44-I47 HydrophobicContact CD2-CD1 3.74Å; L44-T55 HydrophobicContact CB-CG2 4.4Å; L44-T55 WeakPolarHBondContact O-CG2 3.3Å; L44-T55 PolarHBondContact O-OG1 3.32Å; L44-T55 VanDerWaalsContact O-OG1 3.13Å; L44-R59 HydrophobicContact CD1-CG 3.99Å; L44-M62 HydrophobicContact CD1-SD 3.46Å; L44-M62 WeakPolarHBondContact CD1-SD 3.43Å |
| 45 | G | 90.4 | Very high | 92 | Very high | 53 Ų | 53 | 85.1 Ų | 85.1 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.2 | -16.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D41 L42 L43 I47 | D41-G45 PolarHBondContact O-N 3.18Å; D41-G45 VanDerWaalsContact O-N 3.16Å; L42-G45 WeakPolarHBondContact O-CA 3.44Å; L42-G45 PolarHBondContact O-N 3.5Å; L43-G45 PolarHBondContact O-N 3.4Å; G45-I47 VanDerWaalsContact C-N 3.35Å |
| 46 | E | 92.8 | Very high | 92 | Very high | 157 Ų | 157 | 85.8 Ų | 85.8 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -86 | -7.2 | 175.8 | -65.1 | -178.4 | 173.1 | 0 | 0 | 113.1 | L42 L43 | L42-E46 PolarHBondContact O-N 3.11Å; L43-E46 PolarHBondContact O-N 2.9Å |
| 47 | I | 90.6 | Very high | 91.9 | Very high | 48 Ų | 48 | 89.1 Ų | 89.1 | 25% | 0.246 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -67.1 | 143.1 | 177.2 | -62.4 | 178.8 | 0 | 0 | 0 | 110 | L44 G45 Q51 I54 | L44-I47 HydrophobicContact CD2-CD1 3.74Å; G45-I47 VanDerWaalsContact C-N 3.35Å; I47-Q51 HydrophobicContact CG2-CB 3.96Å; I47-I54 HydrophobicContact CD1-CG2 3.94Å |
| 48 | D | 89.4 | Confident | 91.8 | Very high | 85 Ų | 85 | 87.2 Ų | 87.2 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | trans | -50.9 | 128.5 | 179.4 | -164.6 | -27.7 | 0 | 0 | 0 | 111.3 | D50 Q51 | D48-D50 PolarHBondContact O-N 2.94Å; D48-D50 PolarHBondContact OD1-N 2.95Å; D48-Q51 HydrophobicContact CB-CG 4.47Å; D48-Q51 PolarHBondContact O-N 3.47Å | ||
| 49 | P | 83.4 | Confident | 91.8 | Very high | 104 Ų | 104 | 87.9 Ų | 87.9 | 68% | 0.675 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -53 | -23.7 | 177.3 | -27.6 | 33.5 | 0 | 0 | 0 | 114.7 | Q51 V52 | P49-Q51 PolarHBondContact O-N 3.06Å; P49-V52 WeakPolarHBondContact O-CG2 3.39Å |
| 50 | D | 89.4 | Confident | 91.8 | Very high | 152 Ų | 152 | 88.9 Ų | 88.9 | 81% | 0.813 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -74.8 | -8.9 | 176.8 | -69.9 | -15.3 | 0 | 0 | 0 | 113 | D48 | D48-D50 PolarHBondContact O-N 2.94Å; D48-D50 PolarHBondContact OD1-N 2.95Å |
| 51 | Q | 87.8 | Confident | 91.8 | Very high | 96 Ų | 96 | 92.2 Ų | 92.2 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -111.5 | 41.7 | -179.9 | -60.1 | -177.8 | 27 | 0 | 0 | 113 | I47 D48 P49 D53 I54 | I47-Q51 HydrophobicContact CG2-CB 3.96Å; D48-Q51 HydrophobicContact CB-CG 4.47Å; D48-Q51 PolarHBondContact O-N 3.47Å; P49-Q51 PolarHBondContact O-N 3.06Å; Q51-D53 PolarHBondContact O-N 3.37Å; Q51-D53 VanDerWaalsContact O-N 3.12Å; Q51-I54 HydrophobicContact CB-CD1 4.2Å; Q51-I54 PolarHBondContact O-N 2.97Å; Q51-I54 VanDerWaalsContact O-N 3.1Å |
| 52 | V | 87.4 | Confident | 91.9 | Very high | 96 Ų | 96 | 90.7 Ų | 90.7 | 58% | 0.582 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.3 | -35.3 | -176.4 | -174.3 | 0 | 0 | 0 | 0 | 113.6 | P49 I54 T55 Y56 | P49-V52 WeakPolarHBondContact O-CG2 3.39Å; V52-I54 VanDerWaalsContact C-N 3.27Å; V52-I54 PolarHBondContact O-N 2.85Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 2.97Å |
| 53 | D | 91.4 | Very high | 91.9 | Very high | 128 Ų | 128 | 90.2 Ų | 90.2 | 68% | 0.684 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.9 | -37 | -178.3 | -65.6 | -30.9 | 0 | 0 | 0 | 112 | Q51 Y56 E57 | Q51-D53 PolarHBondContact O-N 3.37Å; Q51-D53 VanDerWaalsContact O-N 3.12Å; D53-Y56 PolarHBondContact O-N 3.47Å; D53-E57 WeakPolarHBondContact O-CB 3.27Å; D53-E57 WeakPolarHBondContact O-CG 3.14Å; D53-E57 PolarHBondContact O-N 3.15Å |
| 54 | I | 90.5 | Very high | 92 | Very high | 86 Ų | 86 | 88.1 Ų | 88.1 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 179.9 | -60.7 | 179.4 | 0 | 0 | 0 | 110.4 | I47 Q51 V52 Y56 G58 | I47-I54 HydrophobicContact CD1-CG2 3.94Å; Q51-I54 HydrophobicContact CB-CD1 4.2Å; Q51-I54 PolarHBondContact O-N 2.97Å; Q51-I54 VanDerWaalsContact O-N 3.1Å; V52-I54 VanDerWaalsContact C-N 3.27Å; V52-I54 PolarHBondContact O-N 2.85Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; I54-G58 PolarHBondContact O-N 3.45Å |
| 55 | T | 92.3 | Very high | 92 | Very high | 27 Ų | 27 | 92.2 Ų | 92.2 | 17% | 0.166 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L44 V52 R59 | L44-T55 HydrophobicContact CB-CG2 4.4Å; L44-T55 WeakPolarHBondContact O-CG2 3.3Å; L44-T55 PolarHBondContact O-OG1 3.32Å; L44-T55 VanDerWaalsContact O-OG1 3.13Å; V52-T55 PolarHBondContact O-N 2.87Å; T55-R59 WeakPolarHBondContact O-CB 3.45Å; T55-R59 WeakPolarHBondContact O-CG 3.47Å; T55-R59 PolarHBondContact O-N 2.78Å |
| 56 | Y | 93.1 | Very high | 92.2 | Very high | 155 Ų | 155 | 91.9 Ų | 91.9 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.8 | -50.7 | 177.1 | 178.4 | -98.6 | 0 | 0 | 0 | 111.9 | V52 D53 I54 G58 R59 Q60 | V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 2.97Å; D53-Y56 PolarHBondContact O-N 3.47Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; Y56-G58 PolarHBondContact O-N 3.42Å; Y56-R59 PolarHBondContact O-N 2.98Å; Y56-Q60 WeakPolarHBondContact O-CB 2.81Å; Y56-Q60 PolarHBondContact O-N 3.11Å |
| 57 | E | 93.6 | Very high | 92.3 | Very high | 122 Ų | 122 | 87.3 Ų | 87.3 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 176.5 | -75.4 | -164.9 | 168.4 | 0 | 0 | 111.5 | D53 Q60 K61 | D53-E57 WeakPolarHBondContact O-CB 3.27Å; D53-E57 WeakPolarHBondContact O-CG 3.14Å; D53-E57 PolarHBondContact O-N 3.15Å; E57-Q60 WeakPolarHBondContact O-CB 3.24Å; E57-Q60 PolarHBondContact O-N 2.87Å; E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.3Å |
| 58 | G | 93.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 88.8 Ų | 88.8 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -56.7 | -51.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I54 Y56 Q60 K61 M62 | I54-G58 PolarHBondContact O-N 3.45Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; Y56-G58 PolarHBondContact O-N 3.42Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.47Å; G58-K61 PolarHBondContact O-N 3.22Å; G58-M62 WeakPolarHBondContact O-CG 3.42Å; G58-M62 PolarHBondContact O-N 2.77Å |
| 59 | R | 95.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 86.9 Ų | 86.9 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 177.9 | -70.9 | 178.2 | -175 | -95.5 | -6.8 | 112.3 | D41 L44 T55 Y56 M62 T63 | D41-R59 PolarHBondContact O-NH2 3.39Å; D41-R59 IonicContact OD1-CZ 2.72Å; D41-R59 IonicContact OD1-NE 3.73Å; D41-R59 IonicContact OD1-NH1 2.71Å; D41-R59 PolarHBondContact OD1-NH1 3.11Å; D41-R59 IonicContact OD1-NH2 3.92Å; D41-R59 IonicContact OD2-CZ 2.8Å; D41-R59 IonicContact OD2-NH1 3.92Å; D41-R59 PolarHBondContact OD2-NH1 3.11Å; D41-R59 IonicContact OD2-NH2 3.97Å; D41-R59 PolarHBondContact OD2-NH2 3.23Å; L44-R59 HydrophobicContact CD1-CG 3.99Å; T55-R59 WeakPolarHBondContact O-CB 3.45Å; T55-R59 WeakPolarHBondContact O-CG 3.47Å; T55-R59 PolarHBondContact O-N 2.78Å; Y56-R59 PolarHBondContact O-N 2.98Å; R59-M62 PolarHBondContact O-N 3.23Å; R59-T63 PolarHBondContact O-N 2.84Å; R59-T63 PolarHBondContact O-OG1 3.48Å |
| 60 | Q | 96.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 84.7 Ų | 84.7 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.7 | -169.2 | -172 | 36.3 | 0 | 0 | 111.8 | Y56 E57 G58 T63 S64 | Y56-Q60 WeakPolarHBondContact O-CB 2.81Å; Y56-Q60 PolarHBondContact O-N 3.11Å; E57-Q60 WeakPolarHBondContact O-CB 3.24Å; E57-Q60 PolarHBondContact O-N 2.87Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.47Å; Q60-T63 PolarHBondContact O-N 3.42Å; Q60-S64 PolarHBondContact O-N 2.91Å; Q60-S64 VanDerWaalsContact O-N 3.1Å; Q60-S64 PolarHBondContact O-OG 3.36Å |
| 61 | K | 94.7 | Very high | 93.5 | Very high | 134 Ų | 134 | 82.7 Ų | 82.7 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 176.2 | -65.4 | -56.9 | -179.4 | -172 | 0 | 111.9 | E57 G58 T63 S64 L65 | E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.3Å; G58-K61 PolarHBondContact O-N 3.22Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.07Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3.39Å; K61-S64 VanDerWaalsContact O-N 3.17Å; K61-L65 PolarHBondContact O-N 3.39Å |
| 62 | M | 96.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 82.9 Ų | 82.9 | 7% | 0.069 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.1 | -75 | 179.3 | 69.2 | 0 | 0 | 111.8 | F37 V40 D41 L44 G58 R59 S64 L65 S66 | F37-M62 HydrophobicContact CD1-CE 3.78Å; F37-M62 HydrophobicContact CD2-CE 3.8Å; F37-M62 HydrophobicContact CE1-CE 3.77Å; F37-M62 HydrophobicContact CE2-CB 3.74Å; F37-M62 HydrophobicContact CE2-CE 3.81Å; F37-M62 WeakPolarHBondContact CE2-O 3.34Å; F37-M62 HydrophobicContact CG-CE 3.79Å; F37-M62 HydrophobicContact CZ-CB 3.99Å; F37-M62 HydrophobicContact CZ-CE 3.79Å; F37-M62 WeakPolarHBondContact O-CE 3.29Å; V40-M62 HydrophobicContact CB-CE 3.9Å; V40-M62 HydrophobicContact CB-SD 4.07Å; V40-M62 HydrophobicContact CG1-CE 3.98Å; V40-M62 HydrophobicContact CG1-CG 4.2Å; V40-M62 HydrophobicContact CG1-SD 3.47Å; V40-M62 WeakPolarHBondContact CG1-SD 3.31Å; D41-M62 HydrophobicContact CB-CE 3.98Å; L44-M62 HydrophobicContact CD1-SD 3.46Å; L44-M62 WeakPolarHBondContact CD1-SD 3.43Å; G58-M62 WeakPolarHBondContact O-CG 3.42Å; G58-M62 PolarHBondContact O-N 2.77Å; R59-M62 PolarHBondContact O-N 3.23Å; M62-S64 VanDerWaalsContact C-N 3.26Å; M62-S64 PolarHBondContact O-N 2.89Å; M62-L65 WeakPolarHBondContact O-CB 3.43Å; M62-L65 PolarHBondContact O-N 2.97Å; M62-L65 VanDerWaalsContact O-N 3.1Å; M62-S66 PolarHBondContact O-N 3.26Å |
| 63 | T | 94.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 78.7 Ų | 78.7 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 176.5 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | R59 Q60 K61 S66 S67 | R59-T63 PolarHBondContact O-N 2.84Å; R59-T63 PolarHBondContact O-OG1 3.48Å; Q60-T63 PolarHBondContact O-N 3.42Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.07Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S67 PolarHBondContact O-N 2.8Å |
| 64 | S | 94.9 | Very high | 93.7 | Very high | 64 Ų | 64 | 78.4 Ų | 78.4 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | Q60 K61 M62 S67 C68 | Q60-S64 PolarHBondContact O-N 2.91Å; Q60-S64 VanDerWaalsContact O-N 3.1Å; Q60-S64 PolarHBondContact O-OG 3.36Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3.39Å; K61-S64 VanDerWaalsContact O-N 3.17Å; M62-S64 VanDerWaalsContact C-N 3.26Å; M62-S64 PolarHBondContact O-N 2.89Å; S64-S67 PolarHBondContact O-N 2.89Å; S64-C68 PolarHBondContact O-N 3.33Å; S64-C68 PolarHBondContact O-SG 2.89Å |
| 65 | L | 93.9 | Very high | 93.8 | Very high | 109 Ų | 109 | 80.7 Ų | 80.7 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 176.3 | -75.3 | 170.5 | 0 | 0 | 0 | 112.3 | K61 M62 S67 C68 F69 | K61-L65 PolarHBondContact O-N 3.39Å; M62-L65 WeakPolarHBondContact O-CB 3.43Å; M62-L65 PolarHBondContact O-N 2.97Å; M62-L65 VanDerWaalsContact O-N 3.1Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-S67 PolarHBondContact O-N 2.83Å; L65-C68 PolarHBondContact O-N 2.95Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.08Å |
| 66 | S | 95.5 | Very high | 93.5 | Very high | 46 Ų | 46 | 81.4 Ų | 81.4 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | M62 T63 F69 A70 | M62-S66 PolarHBondContact O-N 3.26Å; T63-S66 PolarHBondContact O-N 2.82Å; S66-F69 PolarHBondContact O-N 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.91Å |
| 67 | S | 94.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 77.2 Ų | 77.2 | 43% | 0.427 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | T63 S64 L65 A70 Q71 | T63-S67 PolarHBondContact O-N 2.8Å; S64-S67 PolarHBondContact O-N 2.89Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-S67 PolarHBondContact O-N 2.83Å; S67-A70 PolarHBondContact O-N 3.22Å; S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.08Å; S67-Q71 PolarHBondContact OG-NE2 3.21Å |
| 68 | C | 95.3 | Very high | 93 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 53% | 0.534 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.7 | -71.7 | 0 | 0 | 0 | 0 | 112 | S64 L65 Q71 L72 | S64-C68 PolarHBondContact O-N 3.33Å; S64-C68 PolarHBondContact O-SG 2.89Å; L65-C68 PolarHBondContact O-N 2.95Å; C68-Q71 PolarHBondContact O-N 2.82Å; C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 PolarHBondContact O-N 2.88Å |
| 69 | F | 94.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 77 Ų | 77 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.4 | -176.8 | -106.5 | 0 | 0 | 0 | 111.6 | E30 F33 L65 S66 Q71 L72 C73 | E30-F69 HydrophobicContact CB-CE1 4.42Å; E30-F69 HydrophobicContact CG-CE1 3.87Å; E30-F69 HydrophobicContact CG-CZ 4.11Å; F33-F69 HydrophobicContact CB-CD1 4.17Å; F33-F69 HydrophobicContact CB-CE1 3.64Å; F33-F69 HydrophobicContact CB-CE2 4.29Å; F33-F69 HydrophobicContact CB-CZ 3.72Å; F33-F69 AromaticContact CD1-CD1 3.5Å; F33-F69 HydrophobicContact CD1-CD1 3.5Å; F33-F69 AromaticContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CG 4.15Å; F33-F69 HydrophobicContact CD2-CB 4.31Å; F33-F69 AromaticContact CD2-CD1 3.96Å; F33-F69 HydrophobicContact CD2-CD1 3.96Å; F33-F69 AromaticContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CE1 4.24Å; F33-F69 HydrophobicContact CD2-CE2 4.28Å; F33-F69 AromaticContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CZ 4.4Å; F33-F69 HydrophobicContact CE1-CB 4.28Å; F33-F69 AromaticContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CG 4.24Å; F33-F69 HydrophobicContact CE2-CB 3.88Å; F33-F69 HydrophobicContact CE2-CD1 4.25Å; F33-F69 HydrophobicContact CE2-CD2 4.34Å; F33-F69 AromaticContact CE2-CG 3.9Å; F33-F69 HydrophobicContact CE2-CG 3.9Å; F33-F69 AromaticContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD2 4.3Å; F33-F69 AromaticContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE2 4.33Å; F33-F69 AromaticContact CG-CG 3.95Å; F33-F69 HydrophobicContact CG-CG 3.95Å; F33-F69 AromaticContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CZ-CB 3.88Å; F33-F69 HydrophobicContact CZ-CD1 4.2Å; F33-F69 HydrophobicContact CZ-CG 4.13Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.08Å; S66-F69 PolarHBondContact O-N 3.31Å; F69-Q71 VanDerWaalsContact C-N 3.32Å; F69-Q71 PolarHBondContact O-N 3.39Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 2.9Å; F69-L72 VanDerWaalsContact O-N 3.09Å; F69-C73 PolarHBondContact O-N 2.84Å; F69-C73 PolarHBondContact O-SG 3.43Å |
| 70 | A | 91.9 | Very high | 92.1 | Very high | 58 Ų | 58 | 75.3 Ų | 75.3 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S66 S67 L72 C73 H74 | S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.91Å; S67-A70 PolarHBondContact O-N 3.22Å; A70-L72 VanDerWaalsContact C-N 3.35Å; A70-C73 PolarHBondContact O-N 3.14Å; A70-H74 PolarHBondContact O-N 3Å |
| 71 | Q | 94.1 | Very high | 91.6 | Very high | 110 Ų | 110 | 76.6 Ų | 76.6 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 175 | -70.9 | 177.8 | 46.2 | 0 | 0 | 112.3 | S67 C68 F69 K75 | S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.08Å; S67-Q71 PolarHBondContact OG-NE2 3.21Å; C68-Q71 PolarHBondContact O-N 2.82Å; F69-Q71 VanDerWaalsContact C-N 3.32Å; F69-Q71 PolarHBondContact O-N 3.39Å; Q71-K75 WeakPolarHBondContact O-CB 3.21Å; Q71-K75 WeakPolarHBondContact O-CG 3.31Å; Q71-K75 PolarHBondContact O-N 2.97Å |
| 72 | L | 90.8 | Very high | 91.1 | Very high | 101 Ų | 101 | 75 Ų | 75 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.6 | -179.2 | 65 | 0 | 0 | 0 | 111.1 | C68 F69 A70 H74 K75 T76 | C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 PolarHBondContact O-N 2.88Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 2.9Å; F69-L72 VanDerWaalsContact O-N 3.09Å; A70-L72 VanDerWaalsContact C-N 3.35Å; L72-H74 PolarHBondContact O-N 3.46Å; L72-K75 PolarHBondContact O-N 3.29Å; L72-T76 VanDerWaalsContact O-CB 3.3Å; L72-T76 WeakPolarHBondContact O-CB 3.32Å; L72-T76 PolarHBondContact O-N 2.97Å; L72-T76 PolarHBondContact O-OG1 3.27Å |
| 73 | C | 90.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 78.1 Ų | 78.1 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 175.5 | -70.2 | 0 | 0 | 0 | 0 | 111 | E30 F69 A70 K75 T76 Q77 | E30-C73 PolarHBondContact OE1-SG 3.07Å; E30-C73 VanDerWaalsContact OE1-SG 3.37Å; F69-C73 PolarHBondContact O-N 2.84Å; F69-C73 PolarHBondContact O-SG 3.43Å; A70-C73 PolarHBondContact O-N 3.14Å; C73-K75 PolarHBondContact O-N 3.46Å; C73-T76 PolarHBondContact O-N 3.27Å; C73-Q77 WeakPolarHBondContact O-CG 3.44Å; C73-Q77 PolarHBondContact O-N 2.93Å |
| 74 | H | 90.6 | Very high | 89.6 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 57% | 0.569 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.4 | -46 | 179 | -177.4 | -78.1 | 0 | 0 | 0 | 112.6 | A70 L72 T76 Q77 T78 | A70-H74 PolarHBondContact O-N 3Å; L72-H74 PolarHBondContact O-N 3.46Å; H74-T76 VanDerWaalsContact C-N 3.34Å; H74-T76 PolarHBondContact O-N 2.68Å; H74-Q77 PolarHBondContact O-N 3.48Å; H74-T78 WeakPolarHBondContact O-CB 3.27Å; H74-T78 PolarHBondContact O-N 3.45Å; H74-T78 PolarHBondContact O-OG1 3.37Å |
| 75 | K | 91.3 | Very high | 89 | Confident | 134 Ų | 134 | 81.7 Ų | 81.7 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 177.7 | -75.4 | 179.2 | -175.6 | -67.3 | 0 | 111.5 | Q71 L72 C73 T78 V79 | Q71-K75 WeakPolarHBondContact O-CB 3.21Å; Q71-K75 WeakPolarHBondContact O-CG 3.31Å; Q71-K75 PolarHBondContact O-N 2.97Å; L72-K75 PolarHBondContact O-N 3.29Å; C73-K75 PolarHBondContact O-N 3.46Å; K75-T78 WeakPolarHBondContact O-CB 3.33Å; K75-T78 PolarHBondContact O-N 3.35Å; K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.96Å |
| 76 | T | 87.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 81 Ų | 81 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | W25 L72 C73 H74 T78 V79 F80 | W25-T76 HydrophobicContact CH2-CG2 3.75Å; W25-T76 HydrophobicContact CZ2-CG2 4.01Å; L72-T76 VanDerWaalsContact O-CB 3.3Å; L72-T76 WeakPolarHBondContact O-CB 3.32Å; L72-T76 PolarHBondContact O-N 2.97Å; L72-T76 PolarHBondContact O-OG1 3.27Å; C73-T76 PolarHBondContact O-N 3.27Å; H74-T76 VanDerWaalsContact C-N 3.34Å; H74-T76 PolarHBondContact O-N 2.68Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.12Å; T76-V79 PolarHBondContact O-N 3.41Å; T76-F80 WeakPolarHBondContact O-CB 3.39Å; T76-F80 PolarHBondContact O-N 3.04Å |
| 77 | Q | 86.6 | Confident | 87.8 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 174.6 | -70.8 | 173.9 | 5.5 | 0 | 0 | 111.6 | F23 L26 C73 H74 F80 Q81 | F23-Q77 HydrophobicContact CD1-CG 4.32Å; F23-Q77 HydrophobicContact CE1-CB 4.42Å; F23-Q77 HydrophobicContact CE1-CG 3.98Å; L26-Q77 HydrophobicContact CD2-CG 3.57Å; C73-Q77 WeakPolarHBondContact O-CG 3.44Å; C73-Q77 PolarHBondContact O-N 2.93Å; H74-Q77 PolarHBondContact O-N 3.48Å; Q77-F80 PolarHBondContact O-N 3.48Å; Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.92Å |
| 78 | T | 88.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -48 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 112 | H74 K75 T76 F80 Q81 L82 | H74-T78 WeakPolarHBondContact O-CB 3.27Å; H74-T78 PolarHBondContact O-N 3.45Å; H74-T78 PolarHBondContact O-OG1 3.37Å; K75-T78 WeakPolarHBondContact O-CB 3.33Å; K75-T78 PolarHBondContact O-N 3.35Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.12Å; T78-F80 PolarHBondContact O-N 2.9Å; T78-Q81 PolarHBondContact O-N 2.91Å; T78-L82 HydrophobicContact CG2-CD1 4.15Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 3.49Å |
| 79 | V | 86.3 | Confident | 86.9 | Confident | 83 Ų | 83 | 84 Ų | 84 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 176.9 | 169 | 0 | 0 | 0 | 0 | 110.2 | K75 T76 L82 N83 | K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.96Å; T76-V79 PolarHBondContact O-N 3.41Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-N83 PolarHBondContact O-N 3.35Å |
| 80 | F | 84.2 | Confident | 86.2 | Confident | 62 Ų | 62 | 86.5 Ų | 86.5 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 179.7 | -161.9 | -78.7 | 0 | 0 | 0 | 112.2 | M22 F23 T76 Q77 T78 L82 N83 H84 | M22-F80 HydrophobicContact CB-CE1 4.38Å; M22-F80 HydrophobicContact CE-CE1 4.06Å; M22-F80 HydrophobicContact CE-CZ 3.84Å; M22-F80 HydrophobicContact CG-CE1 3.5Å; M22-F80 VanDerWaalsContact CG-CE1 3.5Å; M22-F80 HydrophobicContact CG-CE2 4.34Å; M22-F80 HydrophobicContact CG-CZ 3.36Å; M22-F80 HydrophobicContact SD-CD1 4.42Å; M22-F80 HydrophobicContact SD-CE1 3.23Å; M22-F80 WeakPolarHBondContact SD-CE1 3.43Å; M22-F80 HydrophobicContact SD-CZ 3.5Å; M22-F80 VanDerWaalsContact SD-CZ 3.5Å; F23-F80 HydrophobicContact CE1-CB 4.33Å; F23-F80 HydrophobicContact CE1-CD1 4.36Å; F23-F80 HydrophobicContact CE1-CG 4.33Å; F23-F80 HydrophobicContact CZ-CB 4.46Å; F23-F80 AromaticContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CG 4.35Å; T76-F80 WeakPolarHBondContact O-CB 3.39Å; T76-F80 PolarHBondContact O-N 3.04Å; Q77-F80 PolarHBondContact O-N 3.48Å; T78-F80 PolarHBondContact O-N 2.9Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.01Å; F80-N83 PolarHBondContact O-N 2.97Å; F80-H84 PolarHBondContact O-N 3.49Å |
| 81 | Q | 84.5 | Confident | 85.7 | Confident | 124 Ų | 124 | 88.3 Ų | 88.3 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.6 | -40.3 | 175.3 | -73.5 | 174.3 | 1.1 | 0 | 0 | 112.3 | Q77 T78 H84 K85 | Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.92Å; T78-Q81 PolarHBondContact O-N 2.91Å; Q81-H84 PolarHBondContact O-N 3.38Å; Q81-K85 PolarHBondContact O-N 3.45Å |
| 82 | L | 84.3 | Confident | 85.2 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.9 | -74.2 | 170.4 | 0 | 0 | 0 | 111.7 | T78 V79 F80 H84 K85 L86 | T78-L82 HydrophobicContact CG2-CD1 4.15Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 3.49Å; V79-L82 PolarHBondContact O-N 2.87Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.01Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.35Å; L82-K85 WeakPolarHBondContact O-CB 3.39Å; L82-K85 PolarHBondContact O-N 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 3Å |
| 83 | N | 80.6 | Confident | 84.7 | Confident | 81 Ų | 81 | 88 Ų | 88 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.5 | -79.5 | -9.3 | 0 | 0 | 0 | 111.4 | V79 F80 K85 L86 E87 | V79-N83 PolarHBondContact O-N 3.35Å; F80-N83 PolarHBondContact O-N 2.97Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.98Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 VanDerWaalsContact O-N 3.13Å; N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.11Å |
| 84 | H | 80.3 | Confident | 84.2 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 177.3 | -169.4 | 58.7 | 0 | 0 | 0 | 112.4 | F80 Q81 L82 E87 A88 | F80-H84 PolarHBondContact O-N 3.49Å; Q81-H84 PolarHBondContact O-N 3.38Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.35Å; H84-E87 IonicContact ND1-OE2 3.58Å; H84-E87 PolarHBondContact O-N 2.99Å; H84-A88 PolarHBondContact O-N 3.03Å |
| 85 | K | 81.8 | Confident | 83.7 | Confident | 130 Ų | 130 | 91.4 Ų | 91.4 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 174.2 | -173 | 178.3 | 179.4 | -179.8 | 0 | 112.2 | Q81 L82 N83 A88 Q89 | Q81-K85 PolarHBondContact O-N 3.45Å; L82-K85 WeakPolarHBondContact O-CB 3.39Å; L82-K85 PolarHBondContact O-N 3.25Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.98Å; K85-A88 PolarHBondContact O-N 2.93Å; K85-Q89 WeakPolarHBondContact O-CG 3.35Å; K85-Q89 PolarHBondContact O-N 3.16Å |
| 86 | L | 84.5 | Confident | 83.3 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 176.6 | -72.6 | 171.5 | 0 | 0 | 0 | 111.8 | L82 N83 Q89 L90 | L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 3Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 VanDerWaalsContact O-N 3.13Å; L86-Q89 PolarHBondContact O-N 3.13Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.27Å |
| 87 | E | 80.3 | Confident | 82.7 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174 | -75.4 | 174.8 | 174.3 | 0 | 0 | 111.3 | N83 H84 L90 V91 | N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.11Å; H84-E87 IonicContact ND1-OE2 3.58Å; H84-E87 PolarHBondContact O-N 2.99Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.36Å; E87-V91 WeakPolarHBondContact O-CG2 3.27Å; E87-V91 PolarHBondContact O-N 3.22Å |
| 88 | A | 80.8 | Confident | 82.4 | Confident | 47 Ų | 47 | 91.6 Ų | 91.6 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H84 K85 L90 V91 D92 | H84-A88 PolarHBondContact O-N 3.03Å; K85-A88 PolarHBondContact O-N 2.93Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 3.28Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 3.18Å; A88-V91 VanDerWaalsContact O-N 3.12Å; A88-D92 PolarHBondContact O-N 3.14Å |
| 89 | Q | 89.2 | Confident | 81.8 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 176.6 | -72.8 | 178.3 | -17.7 | 0 | 0 | 112.9 | K85 L86 V91 D92 L93 | K85-Q89 WeakPolarHBondContact O-CG 3.35Å; K85-Q89 PolarHBondContact O-N 3.16Å; L86-Q89 PolarHBondContact O-N 3.13Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-D92 PolarHBondContact O-N 3.37Å; Q89-L93 WeakPolarHBondContact O-CB 3.38Å; Q89-L93 WeakPolarHBondContact O-CG 3.44Å; Q89-L93 PolarHBondContact O-N 3.3Å |
| 90 | L | 81.3 | Confident | 81.1 | Confident | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 175.4 | -89.2 | 169.4 | 0 | 0 | 0 | 112.1 | L86 E87 A88 R94 | L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.27Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.36Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 3.28Å; L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.07Å |
| 91 | V | 82.4 | Confident | 80.6 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 58% | 0.582 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | E87 A88 Q89 R94 S95 | E87-V91 WeakPolarHBondContact O-CG2 3.27Å; E87-V91 PolarHBondContact O-N 3.22Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 3.18Å; A88-V91 VanDerWaalsContact O-N 3.12Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; V91-R94 WeakPolarHBondContact O-CB 3.44Å; V91-R94 PolarHBondContact O-N 3.3Å; V91-S95 PolarHBondContact O-N 2.92Å |
| 92 | D | 82.1 | Confident | 80.1 | Confident | 99 Ų | 99 | 87.6 Ų | 87.6 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 177.8 | -67.3 | -22 | 0 | 0 | 0 | 111.4 | A88 Q89 R94 S95 E96 | A88-D92 PolarHBondContact O-N 3.14Å; Q89-D92 PolarHBondContact O-N 3.37Å; D92-R94 VanDerWaalsContact C-N 3.27Å; D92-R94 PolarHBondContact O-N 3.23Å; D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 VanDerWaalsContact O-CB 3.31Å; D92-S95 WeakPolarHBondContact O-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.47Å; D92-E96 PolarHBondContact O-N 3.38Å |
| 93 | L | 81.4 | Confident | 79.6 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 55% | 0.55 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -34.7 | 177.3 | -74.3 | 172 | 0 | 0 | 0 | 112.9 | Q89 L97 | Q89-L93 WeakPolarHBondContact O-CB 3.38Å; Q89-L93 WeakPolarHBondContact O-CG 3.44Å; Q89-L93 PolarHBondContact O-N 3.3Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 2.98Å |
| 94 | R | 80.3 | Confident | 79.5 | Confident | 144 Ų | 144 | 91.5 Ų | 91.5 | 54% | 0.543 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.1 | -78.5 | 174.2 | -178.3 | -163.7 | 2.1 | 111.1 | L90 V91 D92 L97 T98 | L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.07Å; V91-R94 WeakPolarHBondContact O-CB 3.44Å; V91-R94 PolarHBondContact O-N 3.3Å; D92-R94 VanDerWaalsContact C-N 3.27Å; D92-R94 PolarHBondContact O-N 3.23Å; R94-L97 PolarHBondContact O-N 3.41Å; R94-T98 WeakPolarHBondContact O-CG2 3.33Å; R94-T98 PolarHBondContact O-N 2.98Å; R94-T98 PolarHBondContact O-OG1 3.21Å |
| 95 | S | 78.6 | Confident | 79.4 | Confident | 58 Ų | 58 | 89 Ų | 89 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 175.4 | -174 | 0 | 0 | 0 | 0 | 111.2 | V91 D92 L97 T98 E99 | V91-S95 PolarHBondContact O-N 2.92Å; D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 VanDerWaalsContact O-CB 3.31Å; D92-S95 WeakPolarHBondContact O-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.47Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.24Å; S95-T98 WeakPolarHBondContact CA-OG1 3.45Å; S95-T98 PolarHBondContact O-N 3.47Å; S95-T98 VanDerWaalsContact O-N 3.12Å; S95-T98 PolarHBondContact O-OG1 3.02Å; S95-E99 PolarHBondContact O-N 3.47Å |
| 96 | E | 82.9 | Confident | 79.3 | Confident | 121 Ų | 121 | 83.8 Ų | 83.8 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 176.4 | -69.3 | 177.9 | -177.7 | 0 | 0 | 112 | D92 T98 E99 A100 | D92-E96 PolarHBondContact O-N 3.38Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.42Å; E96-E99 PolarHBondContact O-N 3.47Å; E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 2.95Å |
| 97 | L | 76.8 | Confident | 78.9 | Confident | 96 Ų | 96 | 83.3 Ų | 83.3 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 177 | -178.2 | 66.1 | 0 | 0 | 0 | 112.2 | L93 R94 S95 K101 | L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 2.98Å; R94-L97 PolarHBondContact O-N 3.41Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.24Å; L97-K101 HydrophobicContact CG-CD 4.39Å; L97-K101 WeakPolarHBondContact O-CB 3.4Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.87Å; L97-K101 VanDerWaalsContact O-N 3.07Å |
| 98 | T | 78.7 | Confident | 78.7 | Confident | 30 Ų | 30 | 83 Ų | 83 | 18% | 0.184 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.4 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | R94 S95 E96 K101 S102 L173 | R94-T98 WeakPolarHBondContact O-CG2 3.33Å; R94-T98 PolarHBondContact O-N 2.98Å; R94-T98 PolarHBondContact O-OG1 3.21Å; S95-T98 WeakPolarHBondContact CA-OG1 3.45Å; S95-T98 PolarHBondContact O-N 3.47Å; S95-T98 VanDerWaalsContact O-N 3.12Å; S95-T98 PolarHBondContact O-OG1 3.02Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.42Å; T98-K101 PolarHBondContact O-N 2.84Å; T98-S102 PolarHBondContact O-N 3.15Å; T98-L173 HydrophobicContact CG2-CD1 4.06Å |
| 99 | E | 76.3 | Confident | 78.7 | Confident | 70 Ų | 70 | 86.9 Ų | 86.9 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -53 | 175 | -173.2 | 153.7 | -154.4 | 0 | 0 | 111 | S95 E96 K101 S102 E103 R166 | S95-E99 PolarHBondContact O-N 3.47Å; E96-E99 PolarHBondContact O-N 3.47Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.31Å; E99-S102 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact O-OG 3.36Å; E99-E103 PolarHBondContact O-N 3.4Å; E99-R166 VanDerWaalsContact CD-CZ 3.41Å; E99-R166 IonicContact OE1-CZ 2.84Å; E99-R166 IonicContact OE1-NH1 3.21Å; E99-R166 PolarHBondContact OE1-NH1 3.06Å; E99-R166 IonicContact OE1-NH2 3.97Å; E99-R166 IonicContact OE2-CZ 3.56Å; E99-R166 IonicContact OE2-NH1 2.82Å; E99-R166 IonicContact OE2-NH2 2.83Å; E99-R166 PolarHBondContact OE2-NH2 3.21Å |
| 100 | A | 71.1 | Confident | 78.2 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E96 R104 | E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 2.95Å; A100-R104 WeakPolarHBondContact O-CB 3.43Å; A100-R104 PolarHBondContact O-N 3.37Å |
| 101 | K | 75.3 | Confident | 78.1 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 174.8 | -78.8 | 175.7 | 179.8 | 175.8 | 0 | 112.2 | L97 T98 E99 A105 | L97-K101 HydrophobicContact CG-CD 4.39Å; L97-K101 WeakPolarHBondContact O-CB 3.4Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.87Å; L97-K101 VanDerWaalsContact O-N 3.07Å; T98-K101 PolarHBondContact O-N 2.84Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.31Å; K101-A105 PolarHBondContact O-N 2.87Å; K101-A105 VanDerWaalsContact O-N 3.13Å |
| 102 | S | 72.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 85.3 Ų | 85.3 | 3% | 0.028 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.3 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | T98 E99 R104 A105 V106 | T98-S102 PolarHBondContact O-N 3.15Å; E99-S102 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact O-OG 3.36Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.45Å; S102-A105 PolarHBondContact O-N 2.96Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.47Å; S102-V106 VanDerWaalsContact O-N 3.11Å |
| 103 | E | 74.9 | Confident | 78 | Confident | 104 Ų | 104 | 84 Ų | 84 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.7 | -70.4 | 179.5 | 171.5 | 0 | 0 | 111.1 | E99 A105 V106 V107 | E99-E103 PolarHBondContact O-N 3.4Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.38Å; E103-V106 PolarHBondContact O-N 2.96Å; E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.04Å |
| 104 | R | 76.9 | Confident | 78.1 | Confident | 159 Ų | 159 | 84 Ų | 84 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 176.8 | -162.8 | -171.2 | 87.4 | -171.6 | 0.8 | 112 | A100 S102 V106 V107 E108 | A100-R104 WeakPolarHBondContact O-CB 3.43Å; A100-R104 PolarHBondContact O-N 3.37Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.45Å; R104-V106 VanDerWaalsContact C-N 3.28Å; R104-V106 PolarHBondContact O-N 2.91Å; R104-V107 PolarHBondContact O-N 3.03Å; R104-E108 IonicContact CZ-OE1 2.77Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.5Å |
| 105 | A | 78.8 | Confident | 78.2 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63 | -36 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | K101 S102 E103 K109 | K101-A105 PolarHBondContact O-N 2.87Å; K101-A105 VanDerWaalsContact O-N 3.13Å; S102-A105 PolarHBondContact O-N 2.96Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.38Å; A105-K109 PolarHBondContact O-N 3.47Å; A105-K109 VanDerWaalsContact O-N 3.11Å |
| 106 | V | 80.4 | Confident | 78.3 | Confident | 20 Ų | 20 | 84 Ų | 84 | 12% | 0.121 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.9 | -47.1 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | S102 E103 R104 E108 K109 E110 L162 A165 | S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.47Å; S102-V106 VanDerWaalsContact O-N 3.11Å; E103-V106 PolarHBondContact O-N 2.96Å; R104-V106 VanDerWaalsContact C-N 3.28Å; R104-V106 PolarHBondContact O-N 2.91Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 3.16Å; V106-K109 WeakPolarHBondContact O-CB 3.41Å; V106-K109 PolarHBondContact O-N 3.03Å; V106-E110 HydrophobicContact CG1-CG 4.45Å; V106-E110 WeakPolarHBondContact CG1-OE1 2.95Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.92Å; V106-L162 HydrophobicContact CB-CD2 4.21Å; V106-L162 HydrophobicContact CB-CG 4.11Å; V106-L162 HydrophobicContact CG1-CD1 4.04Å; V106-L162 HydrophobicContact CG1-CD2 4.44Å; V106-L162 HydrophobicContact CG1-CG 3.84Å; V106-L162 HydrophobicContact CG2-CD2 3.69Å; V106-L162 HydrophobicContact CG2-CG 3.64Å; V106-A165 HydrophobicContact CG2-CB 4.39Å |
| 107 | V | 74.9 | Confident | 78.3 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | E103 R104 K109 E110 V111 | E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.04Å; R104-V107 PolarHBondContact O-N 3.03Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3Å; V107-E110 PolarHBondContact O-N 2.95Å; V107-V111 HydrophobicContact CG1-CG2 4.48Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.32Å; V107-V111 PolarHBondContact O-N 2.68Å |
| 108 | E | 76.8 | Confident | 78.4 | Confident | 107 Ų | 107 | 84.5 Ų | 84.5 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 173.9 | -77.5 | 171.3 | -167.9 | 0 | 0 | 111.8 | R104 V106 H112 | R104-E108 IonicContact CZ-OE1 2.77Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.5Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 3.16Å; E108-H112 PolarHBondContact O-N 3.27Å |
| 109 | K | 80.5 | Confident | 78.3 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.5 | -41.9 | 176.8 | -169.2 | 178.3 | 179.1 | 179.2 | 0 | 112.4 | A105 V106 V107 V111 H112 D113 | A105-K109 PolarHBondContact O-N 3.47Å; A105-K109 VanDerWaalsContact O-N 3.11Å; V106-K109 WeakPolarHBondContact O-CB 3.41Å; V106-K109 PolarHBondContact O-N 3.03Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 3.5Å; K109-H112 WeakPolarHBondContact O-CB 3.4Å; K109-H112 PolarHBondContact O-N 3.1Å; K109-H112 VanDerWaalsContact O-N 3.11Å; K109-D113 PolarHBondContact O-N 3.1Å |
| 110 | E | 79.2 | Confident | 78.3 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.2 | -73.8 | 178.3 | -167.5 | 0 | 0 | 112 | V106 V107 H112 D113 L114 K158 | V106-E110 HydrophobicContact CG1-CG 4.45Å; V106-E110 WeakPolarHBondContact CG1-OE1 2.95Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.92Å; V107-E110 PolarHBondContact O-N 2.95Å; E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.83Å; E110-D113 PolarHBondContact O-N 3.34Å; E110-L114 WeakPolarHBondContact O-CB 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.22Å; E110-L114 PolarHBondContact O-N 3.07Å; E110-K158 VanDerWaalsContact OE1-CD 3.24Å; E110-K158 WeakPolarHBondContact OE1-CD 3.49Å; E110-K158 WeakPolarHBondContact OE1-CE 3.48Å; E110-K158 IonicContact OE1-NZ 3.8Å; E110-K158 PolarHBondContact OE1-NZ 3.32Å; E110-K158 IonicContact OE2-NZ 2.75Å; E110-K158 PolarHBondContact OE2-NZ 3.37Å |
| 111 | V | 80.1 | Confident | 78.5 | Confident | 84 Ų | 84 | 90 Ų | 90 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.5 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | V107 K109 L115 | V107-V111 HydrophobicContact CG1-CG2 4.48Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.32Å; V107-V111 PolarHBondContact O-N 2.68Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 3.5Å; V111-L115 WeakPolarHBondContact O-CB 3.39Å; V111-L115 PolarHBondContact O-N 3.44Å |
| 112 | H | 81.3 | Confident | 78.5 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 177.8 | -169.3 | 75.2 | 0 | 0 | 0 | 112.6 | E108 K109 E110 L115 L116 | E108-H112 PolarHBondContact O-N 3.27Å; K109-H112 WeakPolarHBondContact O-CB 3.4Å; K109-H112 PolarHBondContact O-N 3.1Å; K109-H112 VanDerWaalsContact O-N 3.11Å; E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.83Å; H112-L115 WeakPolarHBondContact O-CB 3.45Å; H112-L115 PolarHBondContact O-N 3.35Å; H112-L116 WeakPolarHBondContact O-CG 3.27Å; H112-L116 PolarHBondContact O-N 2.95Å |
| 113 | D | 80.5 | Confident | 78.5 | Confident | 72 Ų | 72 | 95.2 Ų | 95.2 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | -180 | -72.3 | -15 | 0 | 0 | 0 | 111.5 | K109 E110 L115 L116 Q117 | K109-D113 PolarHBondContact O-N 3.1Å; E110-D113 PolarHBondContact O-N 3.34Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.12Å; D113-L116 PolarHBondContact O-N 2.66Å; D113-Q117 WeakPolarHBondContact O-CG 3.05Å; D113-Q117 PolarHBondContact O-N 2.83Å |
| 114 | L | 82.1 | Confident | 78.6 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 55% | 0.55 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | 174.6 | -73.7 | 171.5 | 0 | 0 | 0 | 112.1 | E110 Q117 L118 | E110-L114 WeakPolarHBondContact O-CB 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.22Å; E110-L114 PolarHBondContact O-N 3.07Å; L114-Q117 PolarHBondContact O-N 3.08Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.25Å |
| 115 | L | 82.8 | Confident | 78.2 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 175.9 | -132.1 | 150.7 | 0 | 0 | 0 | 111.5 | V111 H112 D113 H119 | V111-L115 WeakPolarHBondContact O-CB 3.39Å; V111-L115 PolarHBondContact O-N 3.44Å; H112-L115 WeakPolarHBondContact O-CB 3.45Å; H112-L115 PolarHBondContact O-N 3.35Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.12Å; L115-H119 WeakPolarHBondContact O-CB 3.47Å; L115-H119 PolarHBondContact O-N 2.96Å |
| 116 | L | 81.8 | Confident | 77.5 | Confident | 94 Ų | 94 | 94.5 Ų | 94.5 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 174.9 | -69.9 | 172.1 | 0 | 0 | 0 | 112 | H112 D113 H119 S120 | H112-L116 WeakPolarHBondContact O-CG 3.27Å; H112-L116 PolarHBondContact O-N 2.95Å; D113-L116 PolarHBondContact O-N 2.66Å; L116-H119 PolarHBondContact O-N 3.16Å; L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.79Å |
| 117 | Q | 83.3 | Confident | 76.8 | Confident | 117 Ų | 117 | 97.2 Ų | 97.2 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 176 | -73.2 | 178.9 | 8.4 | 0 | 0 | 111.6 | D113 L114 H119 S120 L121 | D113-Q117 WeakPolarHBondContact O-CG 3.05Å; D113-Q117 PolarHBondContact O-N 2.83Å; L114-Q117 PolarHBondContact O-N 3.08Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-N 3.23Å; Q117-S120 PolarHBondContact O-N 3.43Å; Q117-L121 WeakPolarHBondContact O-CB 3.38Å; Q117-L121 WeakPolarHBondContact O-CG 3.27Å; Q117-L121 PolarHBondContact O-N 3.46Å |
| 118 | L | 78.4 | Confident | 76.2 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.7 | -48.4 | 174.9 | -176.9 | 65.9 | 0 | 0 | 0 | 110.9 | L114 S120 L121 Q122 | L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.25Å; L118-S120 PolarHBondContact O-N 3Å; L118-L121 PolarHBondContact O-N 3.26Å; L118-Q122 WeakPolarHBondContact O-CB 3.43Å; L118-Q122 PolarHBondContact O-N 3.44Å |
| 119 | H | 76.4 | Confident | 75.2 | Confident | 108 Ų | 108 | 102 Ų | 102 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | -179.7 | -169.7 | -153.9 | 0 | 0 | 0 | 112.2 | L115 L116 Q117 Q122 L123 | L115-H119 WeakPolarHBondContact O-CB 3.47Å; L115-H119 PolarHBondContact O-N 2.96Å; L116-H119 PolarHBondContact O-N 3.16Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-N 3.23Å; H119-Q122 PolarHBondContact O-N 3.47Å; H119-L123 VanDerWaalsContact O-CG 3.31Å; H119-L123 WeakPolarHBondContact O-CG 3.48Å; H119-L123 PolarHBondContact O-N 3.3Å |
| 120 | S | 76.9 | Confident | 73.8 | Confident | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 112 | L116 Q117 L118 Q122 L123 Q124 | L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.79Å; Q117-S120 PolarHBondContact O-N 3.43Å; L118-S120 PolarHBondContact O-N 3Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 2.86Å; S120-L123 PolarHBondContact O-N 2.91Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.33Å |
| 121 | L | 75.1 | Confident | 72.6 | Confident | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -41.5 | 176.4 | -76 | 170.6 | 0 | 0 | 0 | 111.4 | Q117 L118 L123 Q124 L125 | Q117-L121 WeakPolarHBondContact O-CB 3.38Å; Q117-L121 WeakPolarHBondContact O-CG 3.27Å; Q117-L121 PolarHBondContact O-N 3.46Å; L118-L121 PolarHBondContact O-N 3.26Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 3.3Å; L121-Q124 PolarHBondContact O-N 2.93Å; L121-L125 WeakPolarHBondContact O-CB 3.13Å; L121-L125 PolarHBondContact O-N 3.44Å |
| 122 | Q | 73.8 | Confident | 71.2 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -43.1 | 178 | -150.4 | 167.5 | 2.7 | 0 | 0 | 111.2 | L118 H119 S120 L125 S126 | L118-Q122 WeakPolarHBondContact O-CB 3.43Å; L118-Q122 PolarHBondContact O-N 3.44Å; H119-Q122 PolarHBondContact O-N 3.47Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 2.86Å; Q122-L125 PolarHBondContact O-N 3.28Å; Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.87Å; Q122-S126 PolarHBondContact O-OG 3.16Å; Q122-S126 VanDerWaalsContact O-OG 3.1Å |
| 123 | L | 73.4 | Confident | 69.9 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 173.2 | -70.8 | 168.1 | 0 | 0 | 0 | 112.3 | H119 S120 L121 S126 A127 | H119-L123 VanDerWaalsContact O-CG 3.31Å; H119-L123 WeakPolarHBondContact O-CG 3.48Å; H119-L123 PolarHBondContact O-N 3.3Å; S120-L123 PolarHBondContact O-N 2.91Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 3.3Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.96Å |
| 124 | Q | 76.4 | Confident | 68.5 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 50% | 0.5 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.7 | -39.5 | 176 | -73.6 | -179.6 | -6.1 | 0 | 0 | 112.3 | S120 L121 A127 K128 | S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.33Å; L121-Q124 PolarHBondContact O-N 2.93Å; Q124-A127 PolarHBondContact O-N 3.25Å; Q124-K128 WeakPolarHBondContact O-CB 3.41Å; Q124-K128 WeakPolarHBondContact O-CG 3.38Å; Q124-K128 PolarHBondContact O-N 2.86Å |
| 125 | L | 69.6 | Low | 67.2 | Low | 114 Ų | 114 | 110 Ų | 110 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68 | -41.6 | 177.9 | -135.6 | 158.9 | 0 | 0 | 0 | 110.7 | L121 Q122 A127 K128 Q129 | L121-L125 WeakPolarHBondContact O-CB 3.13Å; L121-L125 PolarHBondContact O-N 3.44Å; Q122-L125 PolarHBondContact O-N 3.28Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.42Å; L125-K128 PolarHBondContact O-N 2.98Å; L125-Q129 PolarHBondContact O-N 2.95Å |
| 126 | S | 64.2 | Low | 65.8 | Low | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.7 | -36.2 | 170.9 | -64 | 0 | 0 | 0 | 0 | 112.6 | Q122 L123 | Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.87Å; Q122-S126 PolarHBondContact O-OG 3.16Å; Q122-S126 VanDerWaalsContact O-OG 3.1Å; L123-S126 PolarHBondContact O-N 2.91Å |
| 127 | A | 64.9 | Low | 64.7 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.3 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L123 Q124 L125 G130 | L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.96Å; Q124-A127 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.42Å; A127-G130 PolarHBondContact O-N 2.87Å |
| 128 | K | 63 | Low | 63.4 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.5 | -15.5 | 178.8 | -76.2 | -164.8 | 176.8 | -167.1 | 0 | 114.7 | Q124 L125 G130 Q131 | Q124-K128 WeakPolarHBondContact O-CB 3.41Å; Q124-K128 WeakPolarHBondContact O-CG 3.38Å; Q124-K128 PolarHBondContact O-N 2.86Å; L125-K128 PolarHBondContact O-N 2.98Å; K128-G130 PolarHBondContact O-N 3.32Å; K128-Q131 PolarHBondContact O-N 3.32Å |
| 129 | Q | 54.6 | Low | 62.3 | Low | 160 Ų | 160 | 110.4 Ų | 110.4 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -2.8 | 166.9 | -87.5 | 174.2 | -25.9 | 0 | 0 | 113.4 | L125 | L125-Q129 PolarHBondContact O-N 2.95Š|
| 130 | G | 52.6 | Low | 61.3 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | A127 K128 | A127-G130 PolarHBondContact O-N 2.87Å; K128-G130 PolarHBondContact O-N 3.32Å |
| 131 | Q | 54.2 | Low | 60.4 | Low | 159 Ų | 159 | 119.2 Ų | 119.2 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | trans | -142.3 | 129.6 | -179.5 | -78.6 | -169.5 | -26.7 | 0 | 0 | 114.2 | K128 | K128-Q131 PolarHBondContact O-N 3.32Š| ||
| 132 | V | 49.1 | Very low | 59.2 | Low | 146 Ų | 146 | 118.8 Ų | 118.8 | 89% | 0.885 | 62% | 0.622 | S | S | * | * | trans | -88 | 108.2 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 133 | E | 54.7 | Low | 58.4 | Low | 161 Ų | 161 | 118.6 Ų | 118.6 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | trans | -129.5 | 140.4 | 161.3 | -74.1 | -158.8 | 161.2 | 0 | 0 | 110.4 | ||||
| 134 | D | 51.6 | Low | 57.4 | Low | 120 Ų | 120 | 117.1 Ų | 117.1 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | trans | -67 | 125.4 | -168.8 | -90.4 | -35.8 | 0 | 0 | 0 | 113.5 | D136 | D134-D136 PolarHBondContact O-N 2.86Å; D134-D136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | S | 53.7 | Low | 56.1 | Low | 70 Ų | 70 | 116.6 Ų | 116.6 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.6 | -19.8 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 136 | D | 53.7 | Low | 55.6 | Low | 109 Ų | 109 | 113.3 Ų | 113.3 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -84.9 | -28.9 | -171 | -66.8 | -28.5 | 0 | 0 | 0 | 112.5 | D134 I138 K139 D140 | D134-D136 PolarHBondContact O-N 2.86Å; D134-D136 VanDerWaalsContact O-N 3.12Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.37Å; D136-K139 PolarHBondContact O-N 3.01Å; D136-D140 PolarHBondContact O-N 3.48Å |
| 137 | I | 58.4 | Low | 55.3 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.3 | -30.2 | 177.2 | -58.2 | 173.5 | 0 | 0 | 0 | 111.4 | ||
| 138 | I | 57.1 | Low | 55.2 | Low | 81 Ų | 81 | 116 Ų | 116 | 42% | 0.415 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.8 | -37.5 | 177.5 | -60.7 | 174.1 | 0 | 0 | 0 | 110.4 | D136 L142 | D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.37Å; I138-L142 HydrophobicContact CG2-CD1 4.39Å |
| 139 | K | 54.2 | Low | 55.5 | Low | 135 Ų | 135 | 116 Ų | 116 | 59% | 0.587 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 177.3 | -82.9 | 177.4 | 177.9 | 167.8 | 0 | 112.8 | D136 R141 L142 | D136-K139 PolarHBondContact O-N 3.01Å; K139-R141 PolarHBondContact O-N 2.85Å; K139-L142 PolarHBondContact O-N 2.94Å; K139-L142 VanDerWaalsContact O-N 3.12Å |
| 140 | D | 55.7 | Low | 55.8 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -21.3 | -178.8 | -88.6 | -6.2 | 0 | 0 | 0 | 113.9 | D136 | D136-D140 PolarHBondContact O-N 3.48Å |
| 141 | R | 57.7 | Low | 56.6 | Low | 218 Ų | 218 | 116.3 Ų | 116.3 | 82% | 0.823 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.4 | -18.4 | 173.5 | -75 | -170.1 | -179.8 | -175.8 | 2.4 | 113.9 | K139 L143 | K139-R141 PolarHBondContact O-N 2.85Å; R141-L143 PolarHBondContact O-N 3.42Å |
| 142 | L | 50.3 | Low | 57.4 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -100 | 68.5 | 179.2 | -85.1 | 153.9 | 0 | 0 | 0 | 109.2 | I138 K139 L147 | I138-L142 HydrophobicContact CG2-CD1 4.39Å; K139-L142 PolarHBondContact O-N 2.94Å; K139-L142 VanDerWaalsContact O-N 3.12Å; L142-L147 HydrophobicContact CD2-CD1 4.14Å |
| 143 | L | 56.8 | Low | 58.5 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | trans | -67 | 138 | 173.8 | -73 | 170.5 | 0 | 0 | 0 | 110.5 | R141 T145 S146 | R141-L143 PolarHBondContact O-N 3.42Å; L143-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact O-N 3.11Å; L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 2.71Å | ||
| 144 | A | 53.3 | Low | 59.1 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -55.2 | -28.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S146 L147 E148 | A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.46Å; A144-L147 PolarHBondContact O-N 2.66Å; A144-E148 PolarHBondContact O-N 3.37Å |
| 145 | T | 49.7 | Very low | 60.1 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -34.8 | 175.2 | 24.5 | 0 | 0 | 0 | 0 | 113.2 | L143 L147 E149 | L143-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact O-N 3.11Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 3.26Å; T145-E149 WeakPolarHBondContact O-CG 3.33Å; T145-E149 PolarHBondContact O-N 3.36Å |
| 146 | S | 58.1 | Low | 61.1 | Low | 45 Ų | 45 | 113.5 Ų | 113.5 | 32% | 0.315 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.6 | -20.6 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | L143 A144 M150 | L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 2.71Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.46Å; S146-M150 WeakPolarHBondContact O-CB 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.15Å |
| 147 | L | 58.2 | Low | 61.7 | Low | 78 Ų | 78 | 110.4 Ų | 110.4 | 41% | 0.408 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -84.9 | -41.5 | -175.9 | -143.6 | 132.2 | 0 | 0 | 0 | 110.7 | L142 A144 T145 M150 E151 | L142-L147 HydrophobicContact CD2-CD1 4.14Å; A144-L147 PolarHBondContact O-N 2.66Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 3.26Å; L147-M150 PolarHBondContact O-N 3.06Å; L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 2.72Å |
| 148 | E | 63.1 | Low | 62.4 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 171.6 | -74.4 | -178.8 | 165.2 | 0 | 0 | 112.3 | A144 E151 Q152 | A144-E148 PolarHBondContact O-N 3.37Å; E148-E151 PolarHBondContact O-N 3.04Å; E148-Q152 PolarHBondContact O-N 3.3Å |
| 149 | E | 68.3 | Low | 63.2 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 175.1 | -74.8 | 175.3 | 172.2 | 0 | 0 | 111.3 | T145 Q152 E153 | T145-E149 WeakPolarHBondContact O-CG 3.33Å; T145-E149 PolarHBondContact O-N 3.36Å; E149-Q152 PolarHBondContact O-N 3.34Å; E149-E153 PolarHBondContact O-N 2.96Å |
| 150 | M | 61.8 | Low | 64.1 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 53% | 0.532 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.8 | -37.4 | 177.3 | -169.2 | -172.9 | -46.3 | 0 | 0 | 112.4 | S146 L147 E153 L154 | S146-M150 WeakPolarHBondContact O-CB 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.15Å; L147-M150 PolarHBondContact O-N 3.06Å; M150-E153 PolarHBondContact O-N 3.01Å; M150-L154 VanDerWaalsContact O-CB 3.27Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 PolarHBondContact O-N 2.8Å |
| 151 | E | 68.4 | Low | 64.9 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -42.3 | 173.2 | -83.8 | -177.3 | 163.3 | 0 | 0 | 111.8 | L147 E148 L154 E155 | L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 2.72Å; E148-E151 PolarHBondContact O-N 3.04Å; E151-L154 PolarHBondContact O-N 2.96Å; E151-E155 WeakPolarHBondContact O-CB 3.21Å; E151-E155 PolarHBondContact O-N 3.4Å |
| 152 | Q | 72.6 | Confident | 65.6 | Low | 150 Ų | 150 | 103.1 Ų | 103.1 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 174.6 | -87.6 | -173.1 | -7.7 | 0 | 0 | 112.7 | E148 E149 L154 E155 A156 | E148-Q152 PolarHBondContact O-N 3.3Å; E149-Q152 PolarHBondContact O-N 3.34Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-E155 PolarHBondContact O-N 2.98Å; Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.04Å |
| 153 | E | 70.4 | Confident | 66.6 | Low | 151 Ų | 151 | 102.2 Ų | 102.2 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 176.7 | -123.1 | 176.2 | -178.1 | 0 | 0 | 111.7 | E149 M150 A156 S157 | E149-E153 PolarHBondContact O-N 2.96Å; M150-E153 PolarHBondContact O-N 3.01Å; E153-A156 PolarHBondContact O-N 3.43Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.35Å |
| 154 | L | 68.4 | Low | 67.2 | Low | 119 Ų | 119 | 102.1 Ų | 102.1 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | 178.1 | -162.3 | 130.7 | 0 | 0 | 0 | 112 | M150 E151 Q152 S157 K158 | M150-L154 VanDerWaalsContact O-CB 3.27Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 PolarHBondContact O-N 2.8Å; E151-L154 PolarHBondContact O-N 2.96Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-K158 WeakPolarHBondContact O-CB 3.5Å; L154-K158 PolarHBondContact O-N 2.92Å |
| 155 | E | 72.5 | Confident | 68.2 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 171.3 | -87 | -74.5 | 147 | 0 | 0 | 112 | E151 Q152 K158 K159 | E151-E155 WeakPolarHBondContact O-CB 3.21Å; E151-E155 PolarHBondContact O-N 3.4Å; Q152-E155 PolarHBondContact O-N 2.98Å; E155-K158 PolarHBondContact O-N 2.8Å; E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 PolarHBondContact O-N 2.79Å |
| 156 | A | 73.7 | Confident | 69.3 | Low | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q152 E153 K158 K159 E160 | Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.04Å; E153-A156 PolarHBondContact O-N 3.43Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.81Å; A156-K159 PolarHBondContact O-N 2.87Å; A156-E160 PolarHBondContact O-N 2.93Å |
| 157 | S | 67.7 | Low | 69.9 | Low | 43 Ų | 43 | 102.1 Ų | 102.1 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | E153 L154 K161 | E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.35Å; L154-S157 PolarHBondContact O-N 3.44Å; S157-K161 WeakPolarHBondContact O-CB 3.14Å; S157-K161 VanDerWaalsContact O-CG 3.31Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 3.47Å; S157-K161 PolarHBondContact OG-NZ 2.77Å |
| 158 | K | 71.7 | Confident | 70.6 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 31% | 0.309 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.6 | 173.8 | 170.4 | 159.1 | 156.9 | 0 | 111.1 | E110 L154 E155 A156 E160 K161 L162 | E110-K158 VanDerWaalsContact OE1-CD 3.24Å; E110-K158 WeakPolarHBondContact OE1-CD 3.49Å; E110-K158 WeakPolarHBondContact OE1-CE 3.48Å; E110-K158 IonicContact OE1-NZ 3.8Å; E110-K158 PolarHBondContact OE1-NZ 3.32Å; E110-K158 IonicContact OE2-NZ 2.75Å; E110-K158 PolarHBondContact OE2-NZ 3.37Å; L154-K158 WeakPolarHBondContact O-CB 3.5Å; L154-K158 PolarHBondContact O-N 2.92Å; E155-K158 PolarHBondContact O-N 2.8Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.81Å; K158-E160 PolarHBondContact O-N 2.71Å; K158-K161 PolarHBondContact O-N 3.18Å; K158-L162 WeakPolarHBondContact O-CB 3.46Å; K158-L162 PolarHBondContact O-N 3.05Å |
| 159 | K | 74.1 | Confident | 71 | Confident | 153 Ų | 153 | 98.3 Ų | 98.3 | 67% | 0.665 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 177.5 | -168.1 | 175.4 | -177.4 | 177.2 | 0 | 112.2 | E155 A156 L162 T163 | E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 PolarHBondContact O-N 2.79Å; A156-K159 PolarHBondContact O-N 2.87Å; K159-L162 WeakPolarHBondContact O-CB 3.27Å; K159-L162 PolarHBondContact O-N 2.81Å; K159-T163 WeakPolarHBondContact O-CG2 3.44Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 VanDerWaalsContact O-N 3.1Å; K159-T163 PolarHBondContact O-OG1 3.42Å |
| 160 | E | 73.2 | Confident | 71.2 | Confident | 136 Ų | 136 | 95.2 Ų | 95.2 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -48.5 | 177.1 | -169.4 | 175.4 | -166.7 | 0 | 0 | 111.6 | A156 K158 L162 T163 E164 | A156-E160 PolarHBondContact O-N 2.93Å; K158-E160 PolarHBondContact O-N 2.71Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 2.83Å; E160-T163 PolarHBondContact O-N 2.92Å; E160-T163 VanDerWaalsContact O-N 3.12Å; E160-T163 PolarHBondContact O-OG1 3.08Å; E160-E164 PolarHBondContact O-N 2.91Å |
| 161 | K | 72.6 | Confident | 71.8 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 175.9 | -72.6 | 169.2 | -177.2 | 162.6 | 0 | 113 | S157 K158 A165 | S157-K161 WeakPolarHBondContact O-CB 3.14Å; S157-K161 VanDerWaalsContact O-CG 3.31Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 3.47Å; S157-K161 PolarHBondContact OG-NZ 2.77Å; K158-K161 PolarHBondContact O-N 3.18Å; K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 2.85Å |
| 162 | L | 72.7 | Confident | 72.1 | Confident | 49 Ų | 49 | 95.6 Ų | 95.6 | 26% | 0.257 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 173.9 | -119.2 | 156.8 | 0 | 0 | 0 | 111.4 | V106 K158 K159 E160 A165 R166 | V106-L162 HydrophobicContact CB-CD2 4.21Å; V106-L162 HydrophobicContact CB-CG 4.11Å; V106-L162 HydrophobicContact CG1-CD1 4.04Å; V106-L162 HydrophobicContact CG1-CD2 4.44Å; V106-L162 HydrophobicContact CG1-CG 3.84Å; V106-L162 HydrophobicContact CG2-CD2 3.69Å; V106-L162 HydrophobicContact CG2-CG 3.64Å; K158-L162 WeakPolarHBondContact O-CB 3.46Å; K158-L162 PolarHBondContact O-N 3.05Å; K159-L162 WeakPolarHBondContact O-CB 3.27Å; K159-L162 PolarHBondContact O-N 2.81Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 2.83Å; L162-A165 PolarHBondContact O-N 3.33Å; L162-R166 WeakPolarHBondContact O-CB 3.45Å; L162-R166 PolarHBondContact O-N 2.96Å |
| 163 | T | 70.8 | Confident | 72.3 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | K159 E160 R166 L167 | K159-T163 WeakPolarHBondContact O-CG2 3.44Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 VanDerWaalsContact O-N 3.1Å; K159-T163 PolarHBondContact O-OG1 3.42Å; E160-T163 PolarHBondContact O-N 2.92Å; E160-T163 VanDerWaalsContact O-N 3.12Å; E160-T163 PolarHBondContact O-OG1 3.08Å; T163-R166 PolarHBondContact O-N 3.31Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.29Å; T163-L167 WeakPolarHBondContact O-CG 3.28Å; T163-L167 PolarHBondContact O-N 3.41Å |
| 164 | E | 70.9 | Confident | 72.5 | Confident | 113 Ų | 113 | 89.8 Ų | 89.8 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 176.4 | -172.4 | 177.8 | -163 | 0 | 0 | 111.5 | E160 R166 L167 E168 | E160-E164 PolarHBondContact O-N 2.91Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.04Å; E164-L167 PolarHBondContact O-N 2.87Å; E164-E168 WeakPolarHBondContact O-CG 3.46Å; E164-E168 PolarHBondContact O-N 3.22Å |
| 165 | A | 72.4 | Confident | 72.8 | Confident | 34 Ų | 34 | 90.7 Ų | 90.7 | 28% | 0.281 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V106 K161 L162 A169 | V106-A165 HydrophobicContact CG2-CB 4.39Å; K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 2.85Å; L162-A165 PolarHBondContact O-N 3.33Å; A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.48Å; A165-A169 VanDerWaalsContact O-N 3.07Å |
| 166 | R | 73.8 | Confident | 72.8 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -49 | 175.3 | -175.5 | 176.2 | 177.8 | 166.3 | 5 | 111.3 | E99 L162 T163 E164 E168 A169 E170 | E99-R166 VanDerWaalsContact CD-CZ 3.41Å; E99-R166 IonicContact OE1-CZ 2.84Å; E99-R166 IonicContact OE1-NH1 3.21Å; E99-R166 PolarHBondContact OE1-NH1 3.06Å; E99-R166 IonicContact OE1-NH2 3.97Å; E99-R166 IonicContact OE2-CZ 3.56Å; E99-R166 IonicContact OE2-NH1 2.82Å; E99-R166 IonicContact OE2-NH2 2.83Å; E99-R166 PolarHBondContact OE2-NH2 3.21Å; L162-R166 WeakPolarHBondContact O-CB 3.45Å; L162-R166 PolarHBondContact O-N 2.96Å; T163-R166 PolarHBondContact O-N 3.31Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.04Å; R166-E168 PolarHBondContact O-N 3.34Å; R166-A169 PolarHBondContact O-N 2.92Å; R166-E170 PolarHBondContact O-N 3.42Å |
| 167 | L | 71.4 | Confident | 72.8 | Confident | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 178.2 | -72.2 | 170.4 | 0 | 0 | 0 | 111.7 | T163 E164 A169 E170 V171 | T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.29Å; T163-L167 WeakPolarHBondContact O-CG 3.28Å; T163-L167 PolarHBondContact O-N 3.41Å; E164-L167 PolarHBondContact O-N 2.87Å; L167-A169 PolarHBondContact O-N 2.95Å; L167-E170 PolarHBondContact O-N 3.4Å; L167-V171 WeakPolarHBondContact O-CB 3.17Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 3.1Å |
| 168 | E | 72.8 | Confident | 73 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.7 | -78.7 | -167.2 | 179.3 | 0 | 0 | 112.8 | E164 R166 R172 | E164-E168 WeakPolarHBondContact O-CG 3.46Å; E164-E168 PolarHBondContact O-N 3.22Å; R166-E168 PolarHBondContact O-N 3.34Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.05Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-CZ 2.81Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.93Å |
| 169 | A | 70.4 | Confident | 73 | Confident | 43 Ų | 43 | 97 Ų | 97 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A165 R166 L167 R172 L173 | A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.48Å; A165-A169 VanDerWaalsContact O-N 3.07Å; R166-A169 PolarHBondContact O-N 2.92Å; L167-A169 PolarHBondContact O-N 2.95Å; A169-R172 PolarHBondContact O-N 2.94Å; A169-L173 PolarHBondContact O-N 2.94Å |
| 170 | E | 73.9 | Confident | 72.8 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 177.8 | -170.7 | 173 | -170.9 | 0 | 0 | 111.6 | R166 L167 R172 L173 F174 | R166-E170 PolarHBondContact O-N 3.42Å; L167-E170 PolarHBondContact O-N 3.4Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 3.5Å; E170-L173 PolarHBondContact O-N 3.41Å; E170-L173 VanDerWaalsContact O-N 3.16Å; E170-F174 HydrophobicContact CG-CD2 3.83Å; E170-F174 HydrophobicContact CG-CE2 3.39Å; E170-F174 HydrophobicContact CG-CZ 4.08Å; E170-F174 WeakPolarHBondContact O-CD2 3.3Å; E170-F174 PolarHBondContact O-N 2.74Å; E170-F174 WeakPolarHBondContact OE1-CE2 3.49Å |
| 171 | V | 73.8 | Confident | 72.8 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | L167 L173 K175 | L167-V171 WeakPolarHBondContact O-CB 3.17Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 3.1Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.09Å; V171-K175 HydrophobicContact CG1-CD 4.06Å; V171-K175 HydrophobicContact CG1-CG 4.45Å; V171-K175 WeakPolarHBondContact O-CB 3.5Å; V171-K175 VanDerWaalsContact O-CG 3.27Å; V171-K175 WeakPolarHBondContact O-CG 3.25Å; V171-K175 PolarHBondContact O-N 3.29Å |
| 172 | R | 74.8 | Confident | 72.8 | Confident | 166 Ų | 166 | 93 Ų | 93 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 176.4 | -74.5 | 178.8 | -140.5 | 175.7 | 5.6 | 111.8 | E168 A169 E170 K176 | E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.05Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-CZ 2.81Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.93Å; A169-R172 PolarHBondContact O-N 2.94Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 3.5Å; R172-K176 PolarHBondContact O-N 3.46Å; R172-K176 VanDerWaalsContact O-N 3.12Å |
| 173 | L | 75.8 | Confident | 72.5 | Confident | 64 Ų | 64 | 98 Ų | 98 | 34% | 0.335 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.4 | -49.7 | 179.4 | -157.4 | 158.6 | 0 | 0 | 0 | 110.6 | T98 A169 E170 V171 K175 K176 E177 | T98-L173 HydrophobicContact CG2-CD1 4.06Å; A169-L173 PolarHBondContact O-N 2.94Å; E170-L173 PolarHBondContact O-N 3.41Å; E170-L173 VanDerWaalsContact O-N 3.16Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.09Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 3.22Å; L173-K176 VanDerWaalsContact O-N 3.15Å; L173-E177 HydrophobicContact CD2-CG 3.98Å; L173-E177 WeakPolarHBondContact CD2-OE1 3.37Å; L173-E177 PolarHBondContact O-N 2.85Å |
| 174 | F | 74.8 | Confident | 72.4 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 50% | 0.504 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 176.9 | -71.9 | -40.2 | 0 | 0 | 0 | 112.9 | E170 E177 N178 | E170-F174 HydrophobicContact CG-CD2 3.83Å; E170-F174 HydrophobicContact CG-CE2 3.39Å; E170-F174 HydrophobicContact CG-CZ 4.08Å; E170-F174 WeakPolarHBondContact O-CD2 3.3Å; E170-F174 PolarHBondContact O-N 2.74Å; E170-F174 WeakPolarHBondContact OE1-CE2 3.49Å; F174-E177 PolarHBondContact O-N 2.92Å; F174-N178 VanDerWaalsContact O-CB 3.24Å; F174-N178 WeakPolarHBondContact O-CB 3.38Å; F174-N178 PolarHBondContact O-N 3.42Å |
| 175 | K | 74.8 | Confident | 72.3 | Confident | 138 Ų | 138 | 98.5 Ų | 98.5 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 174.1 | -78.8 | 177.6 | 178.3 | -180 | 0 | 111.9 | V171 L173 N178 E179 | V171-K175 HydrophobicContact CG1-CD 4.06Å; V171-K175 HydrophobicContact CG1-CG 4.45Å; V171-K175 WeakPolarHBondContact O-CB 3.5Å; V171-K175 VanDerWaalsContact O-CG 3.27Å; V171-K175 WeakPolarHBondContact O-CG 3.25Å; V171-K175 PolarHBondContact O-N 3.29Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.49Å; K175-N178 PolarHBondContact O-N 2.93Å; K175-E179 PolarHBondContact O-N 3.3Å |
| 176 | K | 73.3 | Confident | 71.8 | Confident | 154 Ų | 154 | 99.3 Ų | 99.3 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 178.8 | -169.6 | 178.3 | -178.4 | 178.9 | 0 | 112.2 | R172 L173 A180 | R172-K176 PolarHBondContact O-N 3.46Å; R172-K176 VanDerWaalsContact O-N 3.12Å; L173-K176 PolarHBondContact O-N 3.22Å; L173-K176 VanDerWaalsContact O-N 3.15Å; K176-A180 WeakPolarHBondContact O-CB 3.24Å; K176-A180 PolarHBondContact O-N 3.36Å |
| 177 | E | 74.3 | Confident | 71.5 | Confident | 74 Ų | 74 | 99.4 Ų | 99.4 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 174.8 | -74.1 | -174.2 | 164.8 | 0 | 0 | 111.8 | L173 F174 E179 A180 L181 | L173-E177 HydrophobicContact CD2-CG 3.98Å; L173-E177 WeakPolarHBondContact CD2-OE1 3.37Å; L173-E177 PolarHBondContact O-N 2.85Å; F174-E177 PolarHBondContact O-N 2.92Å; E177-E179 PolarHBondContact O-N 3.5Å; E177-A180 PolarHBondContact O-N 2.83Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.24Å |
| 178 | N | 71.4 | Confident | 71.1 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.2 | -154 | -54.1 | 0 | 0 | 0 | 111.3 | F174 K175 L181 R182 | F174-N178 VanDerWaalsContact O-CB 3.24Å; F174-N178 WeakPolarHBondContact O-CB 3.38Å; F174-N178 PolarHBondContact O-N 3.42Å; K175-N178 PolarHBondContact O-N 2.93Å; N178-L181 PolarHBondContact O-N 2.75Å; N178-R182 WeakPolarHBondContact O-CB 3.28Å; N178-R182 VanDerWaalsContact O-CG 3.22Å; N178-R182 WeakPolarHBondContact O-CG 3.35Å; N178-R182 PolarHBondContact O-N 3.27Å; N178-R182 PolarHBondContact OD1-NE 3.12Å |
| 179 | E | 71.6 | Confident | 70.5 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 172.8 | -81.2 | 177.7 | 176.6 | 0 | 0 | 112.7 | K175 E177 R182 R183 | K175-E179 PolarHBondContact O-N 3.3Å; E177-E179 PolarHBondContact O-N 3.5Å; E179-R182 PolarHBondContact O-N 2.82Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 PolarHBondContact O-NE 2.77Å |
| 180 | A | 68.6 | Low | 69.9 | Low | 42 Ų | 42 | 98.9 Ų | 98.9 | 35% | 0.347 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K176 E177 R183 H184 | K176-A180 WeakPolarHBondContact O-CB 3.24Å; K176-A180 PolarHBondContact O-N 3.36Å; E177-A180 PolarHBondContact O-N 2.83Å; A180-R183 PolarHBondContact O-N 3.35Å; A180-H184 WeakPolarHBondContact O-CB 3.25Å; A180-H184 PolarHBondContact O-N 2.85Å |
| 181 | L | 75.3 | Confident | 69.3 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 56% | 0.56 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 176.5 | -73.3 | 171.2 | 0 | 0 | 0 | 111.8 | E177 N178 R183 H184 I185 | E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.24Å; N178-L181 PolarHBondContact O-N 2.75Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.26Å; L181-H184 PolarHBondContact O-N 2.86Å; L181-I185 WeakPolarHBondContact O-CB 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.33Å |
| 182 | R | 71.6 | Confident | 68.6 | Low | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 175.1 | -75.5 | 175.7 | -174.2 | -148.7 | -2.2 | 111.7 | N178 E179 I185 A186 | N178-R182 WeakPolarHBondContact O-CB 3.28Å; N178-R182 VanDerWaalsContact O-CG 3.22Å; N178-R182 WeakPolarHBondContact O-CG 3.35Å; N178-R182 PolarHBondContact O-N 3.27Å; N178-R182 PolarHBondContact OD1-NE 3.12Å; E179-R182 PolarHBondContact O-N 2.82Å; R182-I185 PolarHBondContact O-N 3.42Å; R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3Å |
| 183 | R | 66.6 | Low | 67.9 | Low | 153 Ų | 153 | 100.9 Ų | 100.9 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 174 | -78.8 | -178 | -81.1 | 133.8 | -8.6 | 111.5 | E179 A180 L181 I185 A186 V187 | E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 PolarHBondContact O-NE 2.77Å; A180-R183 PolarHBondContact O-N 3.35Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.26Å; R183-I185 PolarHBondContact O-N 2.92Å; R183-A186 PolarHBondContact O-N 2.97Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 2.83Å |
| 184 | H | 68.9 | Low | 67 | Low | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 179.3 | -166.9 | 25.3 | 0 | 0 | 0 | 112.5 | A180 L181 A186 V187 L188 | A180-H184 WeakPolarHBondContact O-CB 3.25Å; A180-H184 PolarHBondContact O-N 2.85Å; L181-H184 PolarHBondContact O-N 2.86Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.1Å; H184-V187 PolarHBondContact O-N 3.13Å; H184-L188 WeakPolarHBondContact O-CG 3.48Å; H184-L188 PolarHBondContact O-N 2.78Å |
| 185 | I | 67.3 | Low | 66.3 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 46% | 0.456 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.4 | -71.2 | 167.3 | 0 | 0 | 0 | 110.8 | L181 R182 R183 L188 Q189 | L181-I185 WeakPolarHBondContact O-CB 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.33Å; R182-I185 PolarHBondContact O-N 3.42Å; R183-I185 PolarHBondContact O-N 2.92Å; I185-L188 PolarHBondContact O-N 2.92Å; I185-Q189 HydrophobicContact CG2-CG 4.27Å; I185-Q189 WeakPolarHBondContact O-CB 3.25Å; I185-Q189 VanDerWaalsContact O-CG 3.26Å; I185-Q189 WeakPolarHBondContact O-CG 3.46Å; I185-Q189 PolarHBondContact O-N 3.33Å |
| 186 | A | 62.8 | Low | 65.5 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | R182 R183 H184 Q189 A190 | R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3Å; R183-A186 PolarHBondContact O-N 2.97Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.1Å; A186-Q189 PolarHBondContact O-N 2.82Å; A186-A190 PolarHBondContact O-N 2.93Å |
| 187 | V | 67.7 | Low | 64.7 | Low | 77 Ų | 77 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | R183 H184 Q189 A190 E191 | R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 2.83Å; H184-V187 PolarHBondContact O-N 3.13Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.45Å; V187-A190 PolarHBondContact O-N 3.12Å; V187-A190 VanDerWaalsContact O-N 3.16Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3Å |
| 188 | L | 62.3 | Low | 64 | Low | 65 Ų | 65 | 94.1 Ų | 94.1 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 178.2 | -72.2 | 172 | 0 | 0 | 0 | 112.2 | H184 I185 V192 | H184-L188 WeakPolarHBondContact O-CG 3.48Å; H184-L188 PolarHBondContact O-N 2.78Å; I185-L188 PolarHBondContact O-N 2.92Å; L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.19Å |
| 189 | Q | 60.3 | Low | 63.4 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.2 | -77.4 | 175.4 | -20.3 | 0 | 0 | 111.2 | I185 A186 V187 E191 V192 Y193 | I185-Q189 HydrophobicContact CG2-CG 4.27Å; I185-Q189 WeakPolarHBondContact O-CB 3.25Å; I185-Q189 VanDerWaalsContact O-CG 3.26Å; I185-Q189 WeakPolarHBondContact O-CG 3.46Å; I185-Q189 PolarHBondContact O-N 3.33Å; A186-Q189 PolarHBondContact O-N 2.82Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.45Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.24Å; Q189-V192 PolarHBondContact O-N 2.88Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.39Å; Q189-Y193 PolarHBondContact O-N 3.04Å |
| 190 | A | 58.8 | Low | 63 | Low | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A186 V187 Y193 G194 | A186-A190 PolarHBondContact O-N 2.93Å; V187-A190 PolarHBondContact O-N 3.12Å; V187-A190 VanDerWaalsContact O-N 3.16Å; A190-Y193 PolarHBondContact O-N 2.75Å; A190-G194 PolarHBondContact O-N 2.86Å |
| 191 | E | 61 | Low | 62.7 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.4 | -71.8 | 174.7 | -177.2 | 0 | 0 | 112.4 | V187 Q189 Y193 G194 A195 | V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.24Å; E191-Y193 VanDerWaalsContact C-N 3.32Å; E191-Y193 PolarHBondContact O-N 2.81Å; E191-G194 PolarHBondContact O-N 2.87Å; E191-A195 WeakPolarHBondContact O-CB 3.22Å; E191-A195 PolarHBondContact O-N 3.26Å |
| 192 | V | 59.7 | Low | 62.3 | Low | 92 Ų | 92 | 95.3 Ų | 95.3 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 177.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L188 Q189 R196 | L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.19Å; Q189-V192 PolarHBondContact O-N 2.88Å; V192-R196 VanDerWaalsContact O-CB 3.25Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 3.35Å |
| 193 | Y | 58.8 | Low | 62.1 | Low | 162 Ų | 162 | 90.5 Ų | 90.5 | 64% | 0.635 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 175.6 | -79.6 | -65.1 | 0 | 0 | 0 | 111.9 | Q189 A190 E191 R196 L197 | Q189-Y193 WeakPolarHBondContact O-CD2 3.39Å; Q189-Y193 PolarHBondContact O-N 3.04Å; A190-Y193 PolarHBondContact O-N 2.75Å; E191-Y193 VanDerWaalsContact C-N 3.32Å; E191-Y193 PolarHBondContact O-N 2.81Å; Y193-R196 PolarHBondContact O-N 2.75Å; Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 2.94Å |
| 194 | G | 58.2 | Low | 62.3 | Low | 40 Ų | 40 | 91 Ų | 91 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A190 E191 R196 L197 A198 | A190-G194 PolarHBondContact O-N 2.86Å; E191-G194 PolarHBondContact O-N 2.87Å; G194-R196 VanDerWaalsContact C-N 3.35Å; G194-R196 PolarHBondContact O-N 2.85Å; G194-L197 PolarHBondContact O-N 2.86Å; G194-A198 WeakPolarHBondContact O-CB 3.31Å; G194-A198 PolarHBondContact O-N 2.97Å |
| 195 | A | 60 | Low | 62.4 | Low | 44 Ų | 44 | 92 Ų | 92 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E191 L197 A198 A199 A247 | E191-A195 WeakPolarHBondContact O-CB 3.22Å; E191-A195 PolarHBondContact O-N 3.26Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 2.89Å; A195-A198 PolarHBondContact O-N 2.96Å; A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.95Å; A195-A247 HydrophobicContact CB-CB 4.43Å |
| 196 | R | 57.6 | Low | 62.5 | Low | 181 Ų | 181 | 88.8 Ų | 88.8 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 177.3 | -165.1 | 178.2 | -142.3 | 168.3 | 6.3 | 111.9 | V192 Y193 G194 K200 | V192-R196 VanDerWaalsContact O-CB 3.25Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 3.35Å; Y193-R196 PolarHBondContact O-N 2.75Å; G194-R196 VanDerWaalsContact C-N 3.35Å; G194-R196 PolarHBondContact O-N 2.85Å; R196-K200 WeakPolarHBondContact O-CB 3.25Å; R196-K200 PolarHBondContact O-N 3.49Å; R196-K200 VanDerWaalsContact O-N 3.09Å |
| 197 | L | 55 | Low | 62.8 | Low | 96 Ų | 96 | 89 Ų | 89 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 177.4 | -171.2 | 61.7 | 0 | 0 | 0 | 111 | Y193 G194 A195 A199 K200 Y201 | Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 2.94Å; G194-L197 PolarHBondContact O-N 2.86Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 2.89Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.31Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 2.94Å; L197-K200 VanDerWaalsContact O-N 3.1Å; L197-Y201 HydrophobicContact CD1-CD2 4.07Å; L197-Y201 HydrophobicContact CD1-CE2 3.71Å; L197-Y201 HydrophobicContact CD2-CE2 4.18Å; L197-Y201 HydrophobicContact CG-CD2 3.88Å; L197-Y201 HydrophobicContact CG-CE2 3.69Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.33Å |
| 198 | A | 60.1 | Low | 63.2 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G194 A195 K200 Y201 L202 T243 | G194-A198 WeakPolarHBondContact O-CB 3.31Å; G194-A198 PolarHBondContact O-N 2.97Å; A195-A198 PolarHBondContact O-N 2.96Å; A198-K200 VanDerWaalsContact C-N 3.33Å; A198-K200 PolarHBondContact O-N 3.35Å; A198-Y201 PolarHBondContact O-N 2.87Å; A198-L202 WeakPolarHBondContact O-CB 3.17Å; A198-L202 PolarHBondContact O-N 3.39Å; A198-T243 HydrophobicContact CB-CG2 4.45Å |
| 199 | A | 59 | Low | 63.6 | Low | 45 Ų | 45 | 91.8 Ų | 91.8 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A195 L197 L202 D203 | A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.95Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 2.96Å; A199-D203 PolarHBondContact O-N 3.26Å |
| 200 | K | 62.8 | Low | 64.1 | Low | 153 Ų | 153 | 87.9 Ų | 87.9 | 67% | 0.665 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.8 | -38.2 | 178.5 | -169.7 | -179.3 | -179.8 | -177.2 | 0 | 112.9 | R196 L197 A198 D203 K204 | R196-K200 WeakPolarHBondContact O-CB 3.25Å; R196-K200 PolarHBondContact O-N 3.49Å; R196-K200 VanDerWaalsContact O-N 3.09Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 2.94Å; L197-K200 VanDerWaalsContact O-N 3.1Å; A198-K200 VanDerWaalsContact C-N 3.33Å; A198-K200 PolarHBondContact O-N 3.35Å; K200-D203 PolarHBondContact O-N 3.49Å; K200-K204 PolarHBondContact O-N 3Å |
| 201 | Y | 63.8 | Low | 64.9 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 174 | -87.5 | -73.3 | 0 | 0 | 0 | 111.2 | L197 A198 D203 K204 E205 | L197-Y201 HydrophobicContact CD1-CD2 4.07Å; L197-Y201 HydrophobicContact CD1-CE2 3.71Å; L197-Y201 HydrophobicContact CD2-CE2 4.18Å; L197-Y201 HydrophobicContact CG-CD2 3.88Å; L197-Y201 HydrophobicContact CG-CE2 3.69Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.33Å; A198-Y201 PolarHBondContact O-N 2.87Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.31Å; Y201-K204 WeakPolarHBondContact O-CB 3.5Å; Y201-K204 PolarHBondContact O-N 3.05Å; Y201-E205 PolarHBondContact O-N 3.32Å |
| 202 | L | 66.6 | Low | 65.5 | Low | 25 Ų | 25 | 92.5 Ų | 92.5 | 13% | 0.131 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 176 | -171 | 67.6 | 0 | 0 | 0 | 111 | A198 A199 K204 E205 L206 R240 | A198-L202 WeakPolarHBondContact O-CB 3.17Å; A198-L202 PolarHBondContact O-N 3.39Å; A199-L202 PolarHBondContact O-N 2.96Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; L202-E205 PolarHBondContact O-N 2.91Å; L202-L206 HydrophobicContact CD1-CD1 4.48Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.26Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-R240 HydrophobicContact CD2-CB 4.21Å; L202-R240 HydrophobicContact CD2-CG 3.57Å |
| 203 | D | 67.1 | Low | 66 | Low | 72 Ų | 72 | 90.3 Ų | 90.3 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.7 | -39.3 | 174.5 | -76.4 | -19.2 | 0 | 0 | 0 | 112.8 | A199 K200 Y201 A207 R240 | A199-D203 PolarHBondContact O-N 3.26Å; K200-D203 PolarHBondContact O-N 3.49Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.31Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 3.38Å; D203-R240 IonicContact OD1-CZ 3.75Å; D203-R240 IonicContact OD1-NE 3.4Å; D203-R240 IonicContact OD1-NH1 2.79Å; D203-R240 IonicContact OD1-NH2 3.11Å; D203-R240 PolarHBondContact OD1-NH2 2.59Å |
| 204 | K | 70.3 | Confident | 66.6 | Low | 163 Ų | 163 | 87.3 Ų | 87.3 | 71% | 0.709 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -72.3 | -43.2 | 179.5 | -170.5 | -178.3 | 176.9 | -173.2 | 0 | 112.1 | K200 Y201 L202 L206 A207 G208 | K200-K204 PolarHBondContact O-N 3Å; Y201-K204 WeakPolarHBondContact O-CB 3.5Å; Y201-K204 PolarHBondContact O-N 3.05Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; K204-L206 VanDerWaalsContact C-N 3.34Å; K204-A207 PolarHBondContact O-N 2.92Å; K204-G208 PolarHBondContact O-N 3.42Å |
| 205 | E | 71 | Confident | 67.4 | Low | 132 Ų | 132 | 91.5 Ų | 91.5 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 175.3 | -70.5 | -160.9 | 152.3 | 0 | 0 | 111.7 | Y201 L202 G208 R209 | Y201-E205 PolarHBondContact O-N 3.32Å; L202-E205 PolarHBondContact O-N 2.91Å; E205-G208 PolarHBondContact O-N 3.37Å; E205-R209 VanDerWaalsContact O-CG 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.47Å; E205-R209 PolarHBondContact O-N 2.95Å |
| 206 | L | 69.2 | Low | 68 | Low | 21 Ų | 21 | 96 Ų | 96 | 11% | 0.11 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 174.4 | -76 | 170.7 | 0 | 0 | 0 | 111.6 | L202 K204 G208 R209 V210 I236 R240 | L202-L206 HydrophobicContact CD1-CD1 4.48Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.26Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.98Å; K204-L206 VanDerWaalsContact C-N 3.34Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.3Å; L206-R209 PolarHBondContact O-N 2.89Å; L206-V210 WeakPolarHBondContact O-CB 3.36Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.83Å; L206-I236 HydrophobicContact CD1-CG2 3.61Å; L206-I236 HydrophobicContact CD2-CB 3.72Å; L206-I236 HydrophobicContact CD2-CD1 3.77Å; L206-I236 HydrophobicContact CD2-CG1 3.29Å; L206-I236 HydrophobicContact CD2-CG2 3.45Å; L206-I236 VanDerWaalsContact CD2-CG2 3.45Å; L206-I236 HydrophobicContact CG-CG2 4.15Å; L206-R240 HydrophobicContact CD1-CG 4.23Å |
| 207 | A | 70 | Confident | 68.5 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | D203 K204 Q211 | D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 3.38Å; K204-A207 PolarHBondContact O-N 2.92Å; A207-Q211 WeakPolarHBondContact O-CB 3.4Å; A207-Q211 PolarHBondContact O-N 2.86Å |
| 208 | G | 75.9 | Confident | 69.2 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K204 E205 L206 Q211 Q212 | K204-G208 PolarHBondContact O-N 3.42Å; E205-G208 PolarHBondContact O-N 3.37Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.3Å; G208-Q211 PolarHBondContact O-N 3.19Å; G208-Q212 WeakPolarHBondContact O-CB 3.37Å; G208-Q212 PolarHBondContact O-N 2.89Å |
| 209 | R | 69.5 | Low | 69.6 | Low | 169 Ų | 169 | 97.9 Ų | 97.9 | 64% | 0.638 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 176.1 | -70.3 | -85.8 | -175.5 | 123 | 1 | 111.3 | E205 L206 Q211 Q212 I213 | E205-R209 VanDerWaalsContact O-CG 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.47Å; E205-R209 PolarHBondContact O-N 2.95Å; L206-R209 PolarHBondContact O-N 2.89Å; R209-Q211 PolarHBondContact O-N 3.5Å; R209-Q212 PolarHBondContact O-N 2.84Å; R209-I213 WeakPolarHBondContact O-CB 3.23Å; R209-I213 WeakPolarHBondContact O-CD1 3.48Å; R209-I213 WeakPolarHBondContact O-CG1 3.44Å; R209-I213 PolarHBondContact O-N 3.36Å |
| 210 | V | 71.4 | Confident | 70 | Confident | 27 Ų | 27 | 99.3 Ų | 99.3 | 16% | 0.164 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | L206 Q212 I213 Q214 W229 L232 I236 | L206-V210 WeakPolarHBondContact O-CB 3.36Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.83Å; V210-Q212 PolarHBondContact O-N 3.47Å; V210-I213 PolarHBondContact O-N 3.13Å; V210-Q214 HydrophobicContact CG1-CG 4.38Å; V210-Q214 WeakPolarHBondContact O-CB 3.38Å; V210-Q214 VanDerWaalsContact O-CG 3.3Å; V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 2.91Å; V210-W229 HydrophobicContact CG1-CH2 3.62Å; V210-W229 HydrophobicContact CG1-CZ3 3.96Å; V210-L232 HydrophobicContact CG2-CD2 4.18Å; V210-I236 HydrophobicContact CG2-CD1 3.81Å |
| 211 | Q | 76.6 | Confident | 70.6 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 175.4 | -84 | -177.5 | -16.8 | 0 | 0 | 112.2 | A207 G208 R209 I213 Q214 L215 | A207-Q211 WeakPolarHBondContact O-CB 3.4Å; A207-Q211 PolarHBondContact O-N 2.86Å; G208-Q211 PolarHBondContact O-N 3.19Å; R209-Q211 PolarHBondContact O-N 3.5Å; Q211-I213 VanDerWaalsContact C-N 3.26Å; Q211-I213 PolarHBondContact O-N 3.48Å; Q211-Q214 PolarHBondContact O-N 3.15Å; Q211-L215 WeakPolarHBondContact O-CB 3.48Å; Q211-L215 WeakPolarHBondContact O-CD1 3.46Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.33Å |
| 212 | Q | 72.3 | Confident | 71.2 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.1 | -39.5 | 179 | -168 | 175.3 | -3.1 | 0 | 0 | 111.5 | G208 R209 V210 L215 L216 | G208-Q212 WeakPolarHBondContact O-CB 3.37Å; G208-Q212 PolarHBondContact O-N 2.89Å; R209-Q212 PolarHBondContact O-N 2.84Å; V210-Q212 PolarHBondContact O-N 3.47Å; Q212-L215 WeakPolarHBondContact O-CB 3.39Å; Q212-L215 PolarHBondContact O-N 3.35Å; Q212-L216 HydrophobicContact CG-CD1 4.08Å; Q212-L216 WeakPolarHBondContact O-CB 3.3Å; Q212-L216 WeakPolarHBondContact O-CD1 3.41Å; Q212-L216 WeakPolarHBondContact O-CG 3.37Å; Q212-L216 PolarHBondContact O-N 3.41Å |
| 213 | I | 70.4 | Confident | 71.5 | Confident | 45 Ų | 45 | 99.3 Ų | 99.3 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -73.8 | -36.9 | 178.1 | -71.4 | 159.3 | 0 | 0 | 0 | 112 | R209 V210 Q211 L215 L216 G217 L228 L232 | R209-I213 WeakPolarHBondContact O-CB 3.23Å; R209-I213 WeakPolarHBondContact O-CD1 3.48Å; R209-I213 WeakPolarHBondContact O-CG1 3.44Å; R209-I213 PolarHBondContact O-N 3.36Å; V210-I213 PolarHBondContact O-N 3.13Å; Q211-I213 VanDerWaalsContact C-N 3.26Å; Q211-I213 PolarHBondContact O-N 3.48Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.03Å; I213-L216 PolarHBondContact O-N 3.05Å; I213-G217 WeakPolarHBondContact O-CA 3.24Å; I213-G217 PolarHBondContact O-N 3.17Å; I213-L228 HydrophobicContact CG2-CD2 4.27Å; I213-L232 HydrophobicContact CB-CD2 4.45Å; I213-L232 HydrophobicContact CD1-CD1 3.42Å; I213-L232 VanDerWaalsContact CD1-CD1 3.42Å; I213-L232 HydrophobicContact CD1-CD2 3.38Å; I213-L232 HydrophobicContact CD1-CG 3.91Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; I213-L232 HydrophobicContact CG2-CD2 4.37Å |
| 214 | Q | 71.3 | Confident | 71.7 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 171.7 | -74.1 | 174.8 | -15 | 0 | 0 | 111.9 | V210 Q211 R218 W229 | V210-Q214 HydrophobicContact CG1-CG 4.38Å; V210-Q214 WeakPolarHBondContact O-CB 3.38Å; V210-Q214 VanDerWaalsContact O-CG 3.3Å; V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 2.91Å; Q211-Q214 PolarHBondContact O-N 3.15Å; Q214-R218 PolarHBondContact O-N 2.88Å; Q214-W229 HydrophobicContact CG-CZ3 3.98Å |
| 215 | L | 76.2 | Confident | 72 | Confident | 128 Ų | 128 | 93.9 Ų | 93.9 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 173.6 | -83.4 | 152.5 | 0 | 0 | 0 | 112 | Q211 Q212 I213 R218 | Q211-L215 WeakPolarHBondContact O-CB 3.48Å; Q211-L215 WeakPolarHBondContact O-CD1 3.46Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.33Å; Q212-L215 WeakPolarHBondContact O-CB 3.39Å; Q212-L215 PolarHBondContact O-N 3.35Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.03Å; L215-R218 WeakPolarHBondContact O-CB 3.38Å |
| 216 | L | 71.3 | Confident | 72.1 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 73% | 0.728 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.1 | -33.2 | 176.9 | -76.6 | 157.2 | 0 | 0 | 0 | 112.8 | Q212 I213 | Q212-L216 HydrophobicContact CG-CD1 4.08Å; Q212-L216 WeakPolarHBondContact O-CB 3.3Å; Q212-L216 WeakPolarHBondContact O-CD1 3.41Å; Q212-L216 WeakPolarHBondContact O-CG 3.37Å; Q212-L216 PolarHBondContact O-N 3.41Å; I213-L216 PolarHBondContact O-N 3.05Å |
| 217 | G | 68.8 | Low | 72.3 | Confident | 11 Ų | 11 | 98.1 Ų | 98.1 | 11% | 0.113 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I213 D219 M220 | I213-G217 WeakPolarHBondContact O-CA 3.24Å; I213-G217 PolarHBondContact O-N 3.17Å; G217-D219 PolarHBondContact O-N 3.49Å; G217-M220 WeakPolarHBondContact O-CB 3.44Å; G217-M220 PolarHBondContact O-N 3.46Å |
| 218 | R | 69.5 | Low | 72.5 | Confident | 199 Ų | 199 | 98.7 Ų | 98.7 | 75% | 0.751 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.5 | -173.9 | -174.8 | 176.6 | 143.3 | 175.4 | -4.8 | 114.2 | Q214 L215 | Q214-R218 PolarHBondContact O-N 2.88Å; L215-R218 WeakPolarHBondContact O-CB 3.38Å |
| 219 | D | 68.1 | Low | 72.2 | Confident | 150 Ų | 150 | 101.3 Ų | 101.3 | 80% | 0.802 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -3.3 | 178 | -63.3 | -35.6 | 0 | 0 | 0 | 113.8 | G217 | G217-D219 PolarHBondContact O-N 3.49Š|
| 220 | M | 67.2 | Low | 72.2 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | trans | -83.1 | 124.7 | 174.4 | -65.4 | -137.4 | -58.8 | 0 | 0 | 110.5 | G217 H225 L228 | G217-M220 WeakPolarHBondContact O-CB 3.44Å; G217-M220 PolarHBondContact O-N 3.46Å; M220-H225 HydrophobicContact CB-CB 4.4Å; M220-L228 HydrophobicContact CE-CB 4.2Å; M220-L228 HydrophobicContact CE-CD2 3.42Å; M220-L228 VanDerWaalsContact CE-CD2 3.42Å; M220-L228 HydrophobicContact CE-CG 4.45Å | ||
| 221 | K | 75.4 | Confident | 72.1 | Confident | 186 Ų | 186 | 102.7 Ų | 102.7 | 81% | 0.809 | 52% | 0.516 | S | S | * | . | trans | -130 | 149.3 | 176.8 | -68.3 | -175.9 | -179.6 | 177.1 | 0 | 111.6 | ||||
| 222 | G | 76.4 | Confident | 71.7 | Confident | 37 Ų | 37 | 97.9 Ų | 97.9 | 38% | 0.381 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 79.4 | -150 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A224 H225 D226 | G222-A224 PolarHBondContact O-N 2.87Å; G222-H225 WeakPolarHBondContact O-CB 3.5Å; G222-H225 PolarHBondContact O-N 3.28Å; G222-D226 PolarHBondContact O-N 2.91Å |
| 223 | P | 74.4 | Confident | 71.3 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.2 | -23.2 | -165.1 | -23.2 | 31.2 | 0 | 0 | 0 | 115.8 | K227 | P223-K227 WeakPolarHBondContact O-CG 3.36Å; P223-K227 PolarHBondContact O-N 3.15Å |
| 224 | A | 70.7 | Confident | 70.8 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.3 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G222 L228 | G222-A224 PolarHBondContact O-N 2.87Å; A224-L228 PolarHBondContact O-N 3.22Å |
| 225 | H | 77.6 | Confident | 70.4 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 173.4 | 178.2 | -81.2 | 0 | 0 | 0 | 110.2 | M220 G222 K227 L228 W229 | M220-H225 HydrophobicContact CB-CB 4.4Å; G222-H225 WeakPolarHBondContact O-CB 3.5Å; G222-H225 PolarHBondContact O-N 3.28Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.84Å; H225-L228 PolarHBondContact O-N 3.38Å; H225-W229 WeakPolarHBondContact O-CB 3.3Å; H225-W229 PolarHBondContact O-N 2.87Å |
| 226 | D | 72.6 | Confident | 69.8 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | -177.9 | -58.7 | -24.2 | 0 | 0 | 0 | 112.2 | G222 W229 N230 | G222-D226 PolarHBondContact O-N 2.91Å; D226-W229 PolarHBondContact O-N 3.44Å; D226-N230 VanDerWaalsContact O-CB 3.31Å; D226-N230 WeakPolarHBondContact O-CB 3.41Å; D226-N230 PolarHBondContact O-N 3.41Å; D226-N230 PolarHBondContact O-ND2 2.78Å; D226-N230 VanDerWaalsContact O-ND2 3.17Å |
| 227 | K | 73.8 | Confident | 69.2 | Low | 157 Ų | 157 | 90 Ų | 90 | 68% | 0.683 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 173.6 | -79.4 | 179.5 | -178 | -178.5 | 0 | 112.4 | P223 H225 W229 Q231 | P223-K227 WeakPolarHBondContact O-CG 3.36Å; P223-K227 PolarHBondContact O-N 3.15Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.84Å; K227-W229 VanDerWaalsContact C-N 3.33Å; K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.19Å |
| 228 | L | 72.6 | Confident | 68.9 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 35% | 0.346 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.9 | -178.5 | 65.8 | 0 | 0 | 0 | 110.8 | I213 M220 A224 H225 Q231 L232 | I213-L228 HydrophobicContact CG2-CD2 4.27Å; M220-L228 HydrophobicContact CE-CB 4.2Å; M220-L228 HydrophobicContact CE-CD2 3.42Å; M220-L228 VanDerWaalsContact CE-CD2 3.42Å; M220-L228 HydrophobicContact CE-CG 4.45Å; A224-L228 PolarHBondContact O-N 3.22Å; H225-L228 PolarHBondContact O-N 3.38Å; L228-Q231 PolarHBondContact O-N 2.84Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.77Å |
| 229 | W | 70.1 | Confident | 68.5 | Low | 87 Ų | 87 | 85.7 Ų | 85.7 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 178.5 | -171 | -95.2 | 0 | 0 | 0 | 112.1 | V210 Q214 H225 D226 K227 Q231 L232 E233 | V210-W229 HydrophobicContact CG1-CH2 3.62Å; V210-W229 HydrophobicContact CG1-CZ3 3.96Å; Q214-W229 HydrophobicContact CG-CZ3 3.98Å; H225-W229 WeakPolarHBondContact O-CB 3.3Å; H225-W229 PolarHBondContact O-N 2.87Å; D226-W229 PolarHBondContact O-N 3.44Å; K227-W229 VanDerWaalsContact C-N 3.33Å; W229-Q231 VanDerWaalsContact C-N 3.31Å; W229-Q231 PolarHBondContact O-N 2.92Å; W229-L232 WeakPolarHBondContact O-CB 3.31Å; W229-L232 PolarHBondContact O-N 3.48Å; W229-E233 WeakPolarHBondContact O-CB 3.32Å; W229-E233 PolarHBondContact O-N 3.41Å |
| 230 | N | 69.4 | Low | 68 | Low | 96 Ų | 96 | 83.5 Ų | 83.5 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.1 | -70.4 | -21.3 | 0 | 0 | 0 | 112.1 | D226 A234 | D226-N230 VanDerWaalsContact O-CB 3.31Å; D226-N230 WeakPolarHBondContact O-CB 3.41Å; D226-N230 PolarHBondContact O-N 3.41Å; D226-N230 PolarHBondContact O-ND2 2.78Å; D226-N230 VanDerWaalsContact O-ND2 3.17Å; N230-A234 WeakPolarHBondContact O-CB 3.28Å; N230-A234 PolarHBondContact O-N 3.21Å |
| 231 | Q | 70.2 | Confident | 67.3 | Low | 130 Ų | 130 | 85 Ų | 85 | 61% | 0.607 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 175.7 | -176.7 | 166.2 | -8.2 | 0 | 0 | 111.3 | K227 L228 W229 A234 E235 | K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.19Å; L228-Q231 PolarHBondContact O-N 2.84Å; W229-Q231 VanDerWaalsContact C-N 3.31Å; W229-Q231 PolarHBondContact O-N 2.92Å; Q231-A234 PolarHBondContact O-N 2.74Å; Q231-E235 PolarHBondContact O-N 2.9Å |
| 232 | L | 67.7 | Low | 66.5 | Low | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.6 | -52.7 | 174.4 | -132 | 86.9 | 0 | 0 | 0 | 111.1 | V210 I213 L228 W229 A234 E235 I236 | V210-L232 HydrophobicContact CG2-CD2 4.18Å; I213-L232 HydrophobicContact CB-CD2 4.45Å; I213-L232 HydrophobicContact CD1-CD1 3.42Å; I213-L232 VanDerWaalsContact CD1-CD1 3.42Å; I213-L232 HydrophobicContact CD1-CD2 3.38Å; I213-L232 HydrophobicContact CD1-CG 3.91Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; I213-L232 HydrophobicContact CG2-CD2 4.37Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.77Å; W229-L232 WeakPolarHBondContact O-CB 3.31Å; W229-L232 PolarHBondContact O-N 3.48Å; L232-A234 PolarHBondContact O-N 2.86Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 3.36Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.24Å; L232-I236 PolarHBondContact O-N 3.26Å |
| 233 | E | 64.2 | Low | 65.6 | Low | 91 Ų | 91 | 81.7 Ų | 81.7 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.3 | -40.9 | -179.7 | -171.1 | 168.2 | -149.3 | 0 | 0 | 111.5 | W229 I236 H237 | W229-E233 WeakPolarHBondContact O-CB 3.32Å; W229-E233 PolarHBondContact O-N 3.41Å; E233-I236 WeakPolarHBondContact O-CB 3.5Å; E233-I236 PolarHBondContact O-N 3.46Å; E233-H237 PolarHBondContact O-CD2 3.41Å; E233-H237 PolarHBondContact O-N 2.86Å |
| 234 | A | 59 | Low | 64.5 | Low | 29 Ų | 29 | 80.8 Ų | 80.8 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | N230 Q231 L232 H237 L238 | N230-A234 WeakPolarHBondContact O-CB 3.28Å; N230-A234 PolarHBondContact O-N 3.21Å; Q231-A234 PolarHBondContact O-N 2.74Å; L232-A234 PolarHBondContact O-N 2.86Å; A234-H237 PolarHBondContact O-N 3.19Å; A234-L238 WeakPolarHBondContact O-CB 3.11Å; A234-L238 PolarHBondContact O-N 3.01Å |
| 235 | E | 64.1 | Low | 63.7 | Low | 104 Ų | 104 | 80.5 Ų | 80.5 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.6 | -35.3 | 178 | -167.1 | 159.9 | -153.2 | 0 | 0 | 112.1 | Q231 L232 L238 H239 | Q231-E235 PolarHBondContact O-N 2.9Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 3.36Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.05Å; E235-H239 PolarHBondContact O-CD2 3.28Å; E235-H239 PolarHBondContact O-N 2.88Å |
| 236 | I | 64 | Low | 62.6 | Low | 31 Ų | 31 | 84.3 Ų | 84.3 | 16% | 0.159 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -49.4 | 171.6 | -65.3 | -178.3 | 0 | 0 | 0 | 110.8 | L206 V210 L232 E233 L238 H239 R240 | L206-I236 HydrophobicContact CD1-CG2 3.61Å; L206-I236 HydrophobicContact CD2-CB 3.72Å; L206-I236 HydrophobicContact CD2-CD1 3.77Å; L206-I236 HydrophobicContact CD2-CG1 3.29Å; L206-I236 HydrophobicContact CD2-CG2 3.45Å; L206-I236 VanDerWaalsContact CD2-CG2 3.45Å; L206-I236 HydrophobicContact CG-CG2 4.15Å; V210-I236 HydrophobicContact CG2-CD1 3.81Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.24Å; L232-I236 PolarHBondContact O-N 3.26Å; E233-I236 WeakPolarHBondContact O-CB 3.5Å; E233-I236 PolarHBondContact O-N 3.46Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.19Å; I236-H239 PolarHBondContact O-N 3.06Å; I236-R240 WeakPolarHBondContact O-CG 3.44Å; I236-R240 PolarHBondContact O-N 3Å |
| 237 | H | 56.7 | Low | 61.5 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176.3 | -78 | -62.5 | 0 | 0 | 0 | 111.7 | E233 A234 R240 H241 | E233-H237 PolarHBondContact O-CD2 3.41Å; E233-H237 PolarHBondContact O-N 2.86Å; A234-H237 PolarHBondContact O-N 3.19Å; H237-R240 PolarHBondContact O-N 2.9Å; H237-H241 VanDerWaalsContact O-CB 3.24Å; H237-H241 WeakPolarHBondContact O-CB 3.49Å; H237-H241 PolarHBondContact O-N 3.42Å |
| 238 | L | 62.9 | Low | 60.1 | Low | 29 Ų | 29 | 78.5 Ų | 78.5 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.6 | -177.7 | 69.1 | 0 | 0 | 0 | 112.1 | A234 E235 I236 H241 K242 V303 | A234-L238 WeakPolarHBondContact O-CB 3.11Å; A234-L238 PolarHBondContact O-N 3.01Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.05Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.19Å; L238-H241 PolarHBondContact O-N 2.95Å; L238-K242 HydrophobicContact CG-CD 4.33Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.35Å; L238-K242 PolarHBondContact O-N 3.22Å; L238-V303 HydrophobicContact CD1-CG1 4.2Å; L238-V303 HydrophobicContact CD1-CG2 4.14Å; L238-V303 HydrophobicContact CD2-CG1 3.77Å |
| 239 | H | 61.2 | Low | 59 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178 | -90.5 | -83.4 | 0 | 0 | 0 | 112.4 | E235 I236 K242 T243 | E235-H239 PolarHBondContact O-CD2 3.28Å; E235-H239 PolarHBondContact O-N 2.88Å; I236-H239 PolarHBondContact O-N 3.06Å; H239-K242 PolarHBondContact O-N 2.88Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 3.43Å; H239-T243 PolarHBondContact O-OG1 3.11Å |
| 240 | R | 58.2 | Low | 58 | Low | 104 Ų | 104 | 80.5 Ų | 80.5 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 172 | -75.3 | 177 | 177.3 | -140.2 | 0.6 | 111.3 | L202 D203 L206 I236 H237 T243 V244 | L202-R240 HydrophobicContact CD2-CB 4.21Å; L202-R240 HydrophobicContact CD2-CG 3.57Å; D203-R240 IonicContact OD1-CZ 3.75Å; D203-R240 IonicContact OD1-NE 3.4Å; D203-R240 IonicContact OD1-NH1 2.79Å; D203-R240 IonicContact OD1-NH2 3.11Å; D203-R240 PolarHBondContact OD1-NH2 2.59Å; L206-R240 HydrophobicContact CD1-CG 4.23Å; I236-R240 WeakPolarHBondContact O-CG 3.44Å; I236-R240 PolarHBondContact O-N 3Å; H237-R240 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.45Å; R240-V244 VanDerWaalsContact O-CG2 3.3Å; R240-V244 WeakPolarHBondContact O-CG2 3.4Å; R240-V244 PolarHBondContact O-N 2.88Å |
| 241 | H | 53.3 | Low | 56.9 | Low | 106 Ų | 106 | 84.3 Ų | 84.3 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.6 | -169.5 | 71.4 | 0 | 0 | 0 | 111.8 | H237 L238 T243 V244 I245 | H237-H241 VanDerWaalsContact O-CB 3.24Å; H237-H241 WeakPolarHBondContact O-CB 3.49Å; H237-H241 PolarHBondContact O-N 3.42Å; L238-H241 PolarHBondContact O-N 2.95Å; H241-T243 PolarHBondContact O-N 2.79Å; H241-V244 PolarHBondContact O-N 3.31Å; H241-I245 VanDerWaalsContact CD2-CD1 3.45Å; H241-I245 WeakPolarHBondContact CD2-CD1 3.46Å; H241-I245 WeakPolarHBondContact NE2-CD1 3.4Å; H241-I245 WeakPolarHBondContact O-CB 3.43Å; H241-I245 VanDerWaalsContact O-CG1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.3Å; H241-I245 PolarHBondContact O-N 3.34Å |
| 242 | K | 57.6 | Low | 55.6 | Low | 107 Ų | 107 | 84.9 Ų | 84.9 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 174 | -78.4 | 179.6 | 175.2 | 179.8 | 0 | 112.3 | L238 H239 I245 R246 | L238-K242 HydrophobicContact CG-CD 4.33Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.35Å; L238-K242 PolarHBondContact O-N 3.22Å; H239-K242 PolarHBondContact O-N 2.88Å; K242-I245 PolarHBondContact O-N 3.04Å; K242-R246 WeakPolarHBondContact O-CB 3.47Å; K242-R246 PolarHBondContact O-N 3.2Å |
| 243 | T | 56.7 | Low | 54.3 | Low | 46 Ų | 46 | 89.8 Ų | 89.8 | 28% | 0.282 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | A198 H239 R240 H241 R246 A247 | A198-T243 HydrophobicContact CB-CG2 4.45Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 3.43Å; H239-T243 PolarHBondContact O-OG1 3.11Å; R240-T243 PolarHBondContact O-N 3.45Å; H241-T243 PolarHBondContact O-N 2.79Å; T243-R246 PolarHBondContact O-N 3.01Å; T243-A247 WeakPolarHBondContact O-CB 3.35Å; T243-A247 PolarHBondContact O-N 2.97Å |
| 244 | V | 51.7 | Low | 53.6 | Low | 85 Ų | 85 | 90 Ų | 90 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | R240 H241 A247 C248 | R240-V244 VanDerWaalsContact O-CG2 3.3Å; R240-V244 WeakPolarHBondContact O-CG2 3.4Å; R240-V244 PolarHBondContact O-N 2.88Å; H241-V244 PolarHBondContact O-N 3.31Å; V244-A247 PolarHBondContact O-N 3.44Å; V244-C248 VanDerWaalsContact O-CB 3.24Å; V244-C248 WeakPolarHBondContact O-CB 3.47Å; V244-C248 PolarHBondContact O-N 3.33Å; V244-C248 PolarHBondContact O-SG 2.99Å |
| 245 | I | 53.8 | Low | 52.7 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 27% | 0.267 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.2 | -75.1 | 176.7 | 0 | 0 | 0 | 111.1 | H241 K242 C248 R249 | H241-I245 VanDerWaalsContact CD2-CD1 3.45Å; H241-I245 WeakPolarHBondContact CD2-CD1 3.46Å; H241-I245 WeakPolarHBondContact NE2-CD1 3.4Å; H241-I245 WeakPolarHBondContact O-CB 3.43Å; H241-I245 VanDerWaalsContact O-CG1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.3Å; H241-I245 PolarHBondContact O-N 3.34Å; K242-I245 PolarHBondContact O-N 3.04Å; I245-C248 CarbonylContact O-C 3.57Å; I245-C248 PolarHBondContact O-N 3.39Å; I245-R249 HydrophobicContact CG2-CG 3.92Å; I245-R249 WeakPolarHBondContact O-CA 3.47Å; I245-R249 WeakPolarHBondContact O-CB 3.44Å; I245-R249 WeakPolarHBondContact O-CG 3.44Å; I245-R249 PolarHBondContact O-N 2.91Å |
| 246 | R | 56 | Low | 51.6 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.4 | -173.1 | 177.1 | 178.9 | -177.7 | -1.5 | 111 | K242 T243 C248 R249 G250 D367 D370 | K242-R246 WeakPolarHBondContact O-CB 3.47Å; K242-R246 PolarHBondContact O-N 3.2Å; T243-R246 PolarHBondContact O-N 3.01Å; R246-C248 PolarHBondContact O-N 3.36Å; R246-R249 PolarHBondContact O-N 3.25Å; R246-G250 PolarHBondContact O-N 3.34Å; R246-D367 IonicContact NH1-OD2 3.99Å; R246-D370 IonicContact NH2-OD1 3.33Å; R246-D370 PolarHBondContact NH2-OD1 3.35Å; R246-D370 IonicContact NH2-OD2 2.85Å; R246-D370 PolarHBondContact NH2-OD2 3.16Å |
| 247 | A | 48.5 | Very low | 50.9 | Low | 57 Ų | 57 | 104.4 Ų | 104.4 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A195 T243 V244 | A195-A247 HydrophobicContact CB-CB 4.43Å; T243-A247 WeakPolarHBondContact O-CB 3.35Å; T243-A247 PolarHBondContact O-N 2.97Å; V244-A247 PolarHBondContact O-N 3.44Å |
| 248 | C | 44 | Very low | 50.8 | Low | 64 Ų | 64 | 104.4 Ų | 104.4 | 43% | 0.432 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -78.9 | -23.7 | 177.9 | -69.5 | 0 | 0 | 0 | 0 | 113.8 | V244 I245 R246 R251 | V244-C248 VanDerWaalsContact O-CB 3.24Å; V244-C248 WeakPolarHBondContact O-CB 3.47Å; V244-C248 PolarHBondContact O-N 3.33Å; V244-C248 PolarHBondContact O-SG 2.99Å; I245-C248 CarbonylContact O-C 3.57Å; I245-C248 PolarHBondContact O-N 3.39Å; R246-C248 PolarHBondContact O-N 3.36Å; C248-R251 WeakPolarHBondContact O-CB 3.44Å; C248-R251 VanDerWaalsContact O-CD 3.24Å; C248-R251 WeakPolarHBondContact O-CD 3.43Å; C248-R251 VanDerWaalsContact O-CG 3.28Å; C248-R251 WeakPolarHBondContact O-CG 3.37Å |
| 249 | R | 49.9 | Very low | 50.6 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 50% | 0.498 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.6 | -17.2 | 178.8 | -85.7 | -175 | 171.6 | -175.8 | -5.3 | 113.8 | I245 R246 R251 N252 S308 | I245-R249 HydrophobicContact CG2-CG 3.92Å; I245-R249 WeakPolarHBondContact O-CA 3.47Å; I245-R249 WeakPolarHBondContact O-CB 3.44Å; I245-R249 WeakPolarHBondContact O-CG 3.44Å; I245-R249 PolarHBondContact O-N 2.91Å; R246-R249 PolarHBondContact O-N 3.25Å; R249-R251 PolarHBondContact O-N 3.43Å; R249-N252 PolarHBondContact O-N 3.49Å; R249-S308 PolarHBondContact NH2-O 2.87Å |
| 250 | G | 48.6 | Very low | 50.8 | Low | 64 Ų | 64 | 106.3 Ų | 106.3 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -0.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R246 | R246-G250 PolarHBondContact O-N 3.34Š|
| 251 | R | 47.7 | Very low | 51.3 | Low | 176 Ų | 176 | 101.6 Ų | 101.6 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.4 | 176.9 | -78 | 177.9 | 149 | 168 | -8.1 | 115.8 | C248 R249 | C248-R251 WeakPolarHBondContact O-CB 3.44Å; C248-R251 VanDerWaalsContact O-CD 3.24Å; C248-R251 WeakPolarHBondContact O-CD 3.43Å; C248-R251 VanDerWaalsContact O-CG 3.28Å; C248-R251 WeakPolarHBondContact O-CG 3.37Å; R249-R251 PolarHBondContact O-N 3.43Å |
| 252 | N | 41.1 | Very low | 51.8 | Low | 141 Ų | 141 | 103.8 Ų | 103.8 | 75% | 0.754 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -109.5 | 127.1 | 177.5 | -76.4 | -10.1 | 0 | 0 | 0 | 110.3 | R249 | R249-N252 PolarHBondContact O-N 3.49Š|
| 253 | D | 42.2 | Very low | 51.9 | Low | 127 Ų | 127 | 101.3 Ų | 101.3 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | trans | -25.6 | 120 | 177.9 | -81.9 | -60.2 | 0 | 0 | 0 | 114.3 | K255 K256 | D253-K255 PolarHBondContact O-N 3.48Å; D253-K256 PolarHBondContact O-N 3.41Å; D253-K256 VanDerWaalsContact O-N 3.11Å | ||
| 254 | P | 48.3 | Very low | 52.1 | Low | 95 Ų | 95 | 99.7 Ų | 99.7 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -10.5 | 176.2 | 23.7 | -31.3 | 0 | 0 | 0 | 113.3 | ||
| 255 | K | 40.5 | Very low | 52.7 | Low | 172 Ų | 172 | 100.6 Ų | 100.6 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -4.9 | 175.2 | -74.3 | -177.8 | 178.5 | 171.6 | 0 | 114.9 | D253 | D253-K255 PolarHBondContact O-N 3.48Š|
| 256 | K | 40.9 | Very low | 52.9 | Low | 184 Ų | 184 | 102.4 Ų | 102.4 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | trans | -114 | 84.6 | 167.4 | -90.4 | -177.9 | 177 | 176.3 | 0 | 109.8 | D253 L258 | D253-K256 PolarHBondContact O-N 3.41Å; D253-K256 VanDerWaalsContact O-N 3.11Å; K256-L258 PolarHBondContact O-N 3.33Å; K256-L258 VanDerWaalsContact O-N 3.12Å | ||
| 257 | S | 49.3 | Very low | 52.9 | Low | 110 Ų | 110 | 100.6 Ų | 100.6 | 77% | 0.769 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.5 | 157.6 | 57.1 | 0 | 0 | 0 | 0 | 107.6 | ||
| 258 | L | 54.6 | Low | 53.5 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.2 | 176.4 | -73.3 | 164.1 | 0 | 0 | 0 | 108.3 | K256 S260 V324 | K256-L258 PolarHBondContact O-N 3.33Å; K256-L258 VanDerWaalsContact O-N 3.12Å; L258-S260 PolarHBondContact O-N 3.3Å; L258-S260 VanDerWaalsContact O-N 3.08Å; L258-V324 HydrophobicContact CD1-CB 4.2Å; L258-V324 HydrophobicContact CD1-CG1 4.08Å |
| 259 | P | 59.4 | Low | 54.3 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 121.1 | 179.6 | 21.1 | -29.6 | 0 | 0 | 0 | 108.7 | H323 | P259-H323 PolarHBondContact O-CD2 3.33Å; P259-H323 VanDerWaalsContact O-CD2 3.23Å |
| 260 | S | 63.8 | Low | 54.8 | Low | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -84.6 | 149.8 | 168.7 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | L258 | L258-S260 PolarHBondContact O-N 3.3Å; L258-S260 VanDerWaalsContact O-N 3.08Å |
| 261 | P | 68.7 | Low | 55.3 | Low | 4 Ų | 4 | 105.6 Ų | 105.6 | 3% | 0.026 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -60.7 | 146.2 | 176.9 | -10.6 | 20.2 | 0 | 0 | 0 | 111.7 | G263 H264 R279 H323 Y361 | P261-G263 PolarHBondContact O-N 2.81Å; P261-H264 WeakPolarHBondContact O-CB 3.12Å; P261-H264 PolarHBondContact O-N 2.78Å; P261-H264 PolarHBondContact O-ND1 2.82Å; P261-H264 VanDerWaalsContact O-ND1 3.14Å; P261-R279 VanDerWaalsContact CG-CZ 3.41Å; P261-R279 VanDerWaalsContact CG-NH2 3.28Å; P261-H323 HydrophobicContact CG-CB 4.23Å; P261-Y361 HydrophobicContact CG-CD2 3.84Å; P261-Y361 HydrophobicContact CG-CE2 4.47Å; P261-Y361 HydrophobicContact CG-CG 4.03Å |
| 262 | V | 64.6 | Low | 55.7 | Low | 153 Ų | 153 | 100.7 Ų | 100.7 | 93% | 0.927 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 128.7 | 178.8 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 263 | G | 59.6 | Low | 56.7 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | 6.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P261 | P261-G263 PolarHBondContact O-N 2.81Š|
| 264 | H | 62.1 | Low | 57.6 | Low | 12 Ų | 12 | 97.2 Ų | 97.2 | 6% | 0.056 | 54% | 0.537 | C | S | . | . | trans | -100.5 | 54.9 | 176.2 | -68 | 66.4 | 0 | 0 | 0 | 111.6 | P261 L269 Y361 | P261-H264 WeakPolarHBondContact O-CB 3.12Å; P261-H264 PolarHBondContact O-N 2.78Å; P261-H264 PolarHBondContact O-ND1 2.82Å; P261-H264 VanDerWaalsContact O-ND1 3.14Å; H264-L269 HydrophobicContact CB-CD1 3.98Å; H264-Y361 AromaticContact CD2-CD1 3.62Å; H264-Y361 AromaticContact CD2-CG 3.9Å; H264-Y361 WeakPolarHBondContact NE2-CB 3.49Å | ||
| 265 | D | 63.4 | Low | 58.8 | Low | 105 Ų | 105 | 95.6 Ų | 95.6 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | trans | -64.9 | 143.9 | 174 | -63.7 | -43.5 | 0 | 0 | 0 | 110.5 | D267 T268 L269 | D265-D267 PolarHBondContact O-N 3.18Å; D265-D267 VanDerWaalsContact O-N 3.08Å; D265-T268 PolarHBondContact O-N 2.88Å; D265-L269 PolarHBondContact O-N 3.04Å | ||
| 266 | P | 58 | Low | 60.4 | Low | 89 Ų | 89 | 88 Ų | 88 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.1 | -29.4 | -176 | 19.9 | -31.8 | 0 | 0 | 0 | 113.2 | K270 | P266-K270 VanDerWaalsContact O-CG 3.27Å; P266-K270 WeakPolarHBondContact O-CG 3.47Å; P266-K270 PolarHBondContact O-N 3.32Å |
| 267 | D | 56.2 | Low | 62.4 | Low | 104 Ų | 104 | 83.3 Ų | 83.3 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -77.6 | -23.1 | 178.2 | -68.2 | -28.4 | 0 | 0 | 0 | 114 | D265 K270 | D265-D267 PolarHBondContact O-N 3.18Å; D265-D267 VanDerWaalsContact O-N 3.08Å; D267-K270 IonicContact OD1-NZ 3.88Å; D267-K270 PolarHBondContact OD1-NZ 2.85Å |
| 268 | T | 60.5 | Low | 64.2 | Low | 74 Ų | 74 | 82.8 Ų | 82.8 | 45% | 0.454 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.6 | -39.9 | 176.6 | -32.6 | 0 | 0 | 0 | 0 | 110.5 | D265 K271 | D265-T268 PolarHBondContact O-N 2.88Å; T268-K271 PolarHBondContact O-N 3.46Å |
| 269 | L | 61.3 | Low | 66 | Low | 17 Ų | 17 | 79.8 Ų | 79.8 | 9% | 0.089 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.8 | -33.3 | 176.1 | -79.8 | 157.1 | 0 | 0 | 0 | 113.1 | H264 D265 K271 T272 Q273 G274 A363 | H264-L269 HydrophobicContact CB-CD1 3.98Å; D265-L269 PolarHBondContact O-N 3.04Å; L269-K271 PolarHBondContact O-N 3.35Å; L269-T272 CarbonylContact O-C 3.54Å; L269-T272 PolarHBondContact O-N 3.23Å; L269-T272 VanDerWaalsContact O-N 3.16Å; L269-T272 PolarHBondContact O-OG1 3.46Å; L269-Q273 PolarHBondContact O-N 2.96Å; L269-G274 PolarHBondContact O-N 3.49Å; L269-A363 HydrophobicContact CD1-CB 3.98Å; L269-A363 HydrophobicContact CD2-CB 4.01Å; L269-A363 HydrophobicContact CG-CB 4.45Å |
| 270 | K | 59.3 | Low | 67.6 | Low | 149 Ų | 149 | 81.3 Ų | 81.3 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.9 | -33.7 | 173.1 | -76.4 | 169.8 | -164.7 | 164.3 | 0 | 112.8 | P266 D267 T272 | P266-K270 VanDerWaalsContact O-CG 3.27Å; P266-K270 WeakPolarHBondContact O-CG 3.47Å; P266-K270 PolarHBondContact O-N 3.32Å; D267-K270 IonicContact OD1-NZ 3.88Å; D267-K270 PolarHBondContact OD1-NZ 2.85Å; K270-T272 VanDerWaalsContact C-N 3.33Å |
| 271 | K | 59.5 | Low | 69.1 | Low | 182 Ų | 182 | 78.9 Ų | 78.9 | 79% | 0.791 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -75.5 | -21.7 | 179.7 | -66.3 | 178 | -176.9 | 173.4 | 0 | 113 | T268 L269 | T268-K271 PolarHBondContact O-N 3.46Å; L269-K271 PolarHBondContact O-N 3.35Å |
| 272 | T | 57.5 | Low | 70.3 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 24.1 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | L269 K270 G274 V275 | L269-T272 CarbonylContact O-C 3.54Å; L269-T272 PolarHBondContact O-N 3.23Å; L269-T272 VanDerWaalsContact O-N 3.16Å; L269-T272 PolarHBondContact O-OG1 3.46Å; K270-T272 VanDerWaalsContact C-N 3.33Å; T272-G274 VanDerWaalsContact C-N 3.26Å; T272-G274 PolarHBondContact O-N 2.92Å; T272-V275 WeakPolarHBondContact CB-O 3.27Å; T272-V275 PolarHBondContact O-N 3.1Å; T272-V275 VanDerWaalsContact O-N 3.16Å; T272-V275 PolarHBondContact OG1-O 3.2Å |
| 273 | Q | 60.6 | Low | 71.7 | Confident | 180 Ų | 180 | 75.1 Ų | 75.1 | 84% | 0.841 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 41.1 | 179.9 | -60.7 | 178.1 | -2.2 | 0 | 0 | 112.9 | L269 V275 | L269-Q273 PolarHBondContact O-N 2.96Å; Q273-V275 VanDerWaalsContact C-N 3.3Å; Q273-V275 PolarHBondContact O-N 3.4Å |
| 274 | G | 62.2 | Low | 73.3 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 6.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L269 T272 A363 | L269-G274 PolarHBondContact O-N 3.49Å; T272-G274 VanDerWaalsContact C-N 3.26Å; T272-G274 PolarHBondContact O-N 2.92Å; G274-A363 WeakPolarHBondContact O-CB 3.4Å; G274-A363 PolarHBondContact O-N 3.45Å |
| 275 | V | 72.1 | Confident | 74.7 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.7 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | T272 Q273 V360 | T272-V275 WeakPolarHBondContact CB-O 3.27Å; T272-V275 PolarHBondContact O-N 3.1Å; T272-V275 VanDerWaalsContact O-N 3.16Å; T272-V275 PolarHBondContact OG1-O 3.2Å; Q273-V275 VanDerWaalsContact C-N 3.3Å; Q273-V275 PolarHBondContact O-N 3.4Å; V275-V360 HydrophobicContact CG1-CG1 4.34Å; V275-V360 HydrophobicContact CG1-CG2 3.41Å; V275-V360 VanDerWaalsContact CG1-CG2 3.41Å |
| 276 | G | 75.4 | Confident | 75.9 | Confident | 13 Ų | 13 | 78.3 Ų | 78.3 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V360 Y361 | G276-V360 WeakPolarHBondContact O-CG2 3.11Å; G276-Y361 PolarHBondContact N-O 2.95Å |
| 277 | P | 82.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 80.2 Ų | 80.2 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 154.5 | 169.2 | 28.9 | -35.4 | 0 | 0 | 0 | 112 | R279 | P277-R279 PolarHBondContact O-N 3.2Å |
| 278 | I | 87.4 | Confident | 78.5 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.4 | 173.1 | -59.8 | 176 | 0 | 0 | 0 | 109.3 | L329 V359 | I278-L329 HydrophobicContact CD1-CD1 3.83Å; I278-L329 HydrophobicContact CG1-CD1 3.82Å; I278-L329 HydrophobicContact CG2-CD1 4.14Å; I278-V359 CarbonylContact C-O 3.53Å; I278-V359 WeakPolarHBondContact CA-O 3.43Å |
| 279 | R | 91.8 | Very high | 79.7 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 18% | 0.177 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.6 | 179.3 | -60.8 | -174.7 | -67.8 | 126.6 | 5.8 | 110.2 | P261 P277 G321 H323 D326 E358 V359 | P261-R279 VanDerWaalsContact CG-CZ 3.41Å; P261-R279 VanDerWaalsContact CG-NH2 3.28Å; P277-R279 PolarHBondContact O-N 3.2Å; R279-G321 PolarHBondContact NH1-O 2.91Å; R279-H323 PolarHBondContact NH1-ND1 3.44Å; R279-D326 IonicContact CZ-OD1 3.88Å; R279-D326 IonicContact CZ-OD2 3.22Å; R279-D326 IonicContact NH2-OD1 2.59Å; R279-D326 PolarHBondContact NH2-OD1 3.22Å; R279-D326 IonicContact NH2-OD2 2.86Å; R279-D326 PolarHBondContact NH2-OD2 3.37Å; R279-E358 WeakPolarHBondContact O-CA 3.38Å; R279-V359 HydrophobicContact CB-CG2 4.12Å; R279-V359 PolarHBondContact N-O 3Å; R279-V359 PolarHBondContact O-N 3.17Å |
| 280 | K | 93.6 | Very high | 81.1 | Confident | 129 Ų | 129 | 81.6 Ų | 81.6 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.4 | 169.3 | -78.6 | 168.1 | 175.3 | -85.8 | 0 | 108.8 | E356 F357 E358 | K280-E356 WeakPolarHBondContact CD-OE1 3.37Å; K280-E356 IonicContact NZ-OE1 2.88Å; K280-E356 PolarHBondContact NZ-OE1 3.43Å; K280-F357 CarbonylContact C-O 3.59Å; K280-F357 VanDerWaalsContact CA-O 3.28Å; K280-F357 WeakPolarHBondContact CA-O 3.49Å; K280-E358 VanDerWaalsContact CE-OE1 3.25Å; K280-E358 WeakPolarHBondContact CE-OE1 3.34Å; K280-E358 HydrophobicContact CG-CG 4Å; K280-E358 IonicContact NZ-OE1 3.73Å; K280-E358 PolarHBondContact NZ-OE1 3.46Å |
| 281 | V | 94.4 | Very high | 82.6 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.4 | -178.6 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | G321 L322 F357 V359 | V281-G321 WeakPolarHBondContact CG2-O 3.44Å; V281-L322 HydrophobicContact CB-CD2 4.06Å; V281-L322 HydrophobicContact CG1-CD2 4.04Å; V281-L322 HydrophobicContact CG1-CG 3.98Å; V281-L322 HydrophobicContact CG2-CD2 4.24Å; V281-F357 HydrophobicContact CB-CB 4.36Å; V281-F357 PolarHBondContact N-O 3.3Å; V281-F357 PolarHBondContact O-N 3Å; V281-V359 HydrophobicContact CG2-CG2 4.04Å |
| 282 | V | 95 | Very high | 84.2 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.5 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | Q354 I355 E356 | V282-Q354 HydrophobicContact CG1-CG 3.64Å; V282-I355 WeakPolarHBondContact CA-O 3.43Å; V282-E356 HydrophobicContact CG2-CB 4.48Å; V282-E356 HydrophobicContact CG2-CG 4.29Å |
| 283 | L | 94.3 | Very high | 85.8 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.7 | 170.5 | 68.8 | 82.5 | 0 | 0 | 0 | 110.8 | K285 L291 P315 A316 C319 L322 I355 F357 | L283-K285 HydrophobicContact CD1-CB 4.28Å; L283-L291 HydrophobicContact CD1-CD2 3.79Å; L283-L291 HydrophobicContact CD2-CD2 4.37Å; L283-P315 HydrophobicContact CD1-CB 4.07Å; L283-A316 HydrophobicContact CD2-CB 4.49Å; L283-C319 HydrophobicContact CB-CB 3.61Å; L283-L322 HydrophobicContact CD2-CD1 3.66Å; L283-I355 HydrophobicContact CD1-CB 4.06Å; L283-I355 HydrophobicContact CD1-CD1 4Å; L283-I355 HydrophobicContact CD1-CG1 4.35Å; L283-I355 HydrophobicContact CG-CB 4.33Å; L283-I355 PolarHBondContact N-O 3.16Å; L283-I355 PolarHBondContact O-N 3.13Å; L283-F357 HydrophobicContact CD1-CE2 4.35Å; L283-F357 HydrophobicContact CD2-CD2 3.89Å; L283-F357 HydrophobicContact CD2-CE2 3.4Å; L283-F357 HydrophobicContact CD2-CZ 4.19Å; L283-F357 HydrophobicContact CG-CD2 4.17Å; L283-F357 HydrophobicContact CG-CE2 3.77Å |
| 284 | L | 92.4 | Very high | 87.1 | Confident | 122 Ų | 122 | 58.4 Ų | 58.4 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.4 | 177.5 | -168.3 | 75.6 | 0 | 0 | 0 | 109 | Q354 | L284-Q354 HydrophobicContact CD1-CB 4.23Å |
| 285 | K | 90.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 59 Ų | 59 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125 | -178.8 | 175.3 | -170.9 | 166.4 | -167.3 | 0 | 110.2 | L283 E289 L291 P315 Q351 R352 G353 I355 | L283-K285 HydrophobicContact CD1-CB 4.28Å; K285-E289 WeakPolarHBondContact CA-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-O 3.3Å; K285-E289 HydrophobicContact CG-CG 4.05Å; K285-L291 HydrophobicContact CD-CD2 4.11Å; K285-L291 HydrophobicContact CD-CG 4.31Å; K285-P315 HydrophobicContact CB-CG 4.48Å; K285-Q351 PolarHBondContact NZ-O 3.13Å; K285-R352 VanDerWaalsContact NZ-NH1 3.2Å; K285-G353 PolarHBondContact N-O 3.34Å; K285-G353 WeakPolarHBondContact O-CA 3.24Å; K285-G353 PolarHBondContact O-N 3.28Å; K285-I355 HydrophobicContact CB-CD1 3.92Å; K285-I355 HydrophobicContact CD-CD1 3.86Å |
| 286 | E | 89.3 | Confident | 88.7 | Confident | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | trans | -75.9 | 158.4 | 170.8 | -58.5 | -175.8 | -175.1 | 0 | 0 | 111.7 | H288 E289 | E286-H288 PolarHBondContact O-N 2.87Å; E286-H288 IonicContact OE2-CE1 3.33Å; E286-H288 PolarHBondContact OE2-CE1 3.38Å; E286-H288 IonicContact OE2-ND1 2.68Å; E286-H288 IonicContact OE2-NE2 3.52Å; E286-E289 HydrophobicContact CB-CG 3.92Å; E286-E289 PolarHBondContact N-OE1 3.4Å; E286-E289 WeakPolarHBondContact O-CG 3.47Å; E286-E289 PolarHBondContact O-N 2.73Å | ||
| 287 | D | 84.4 | Confident | 89.1 | Confident | 129 Ų | 129 | 58 Ų | 58 | 69% | 0.69 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -26.5 | -171.1 | -70.9 | -32.9 | 0 | 0 | 0 | 114.1 | ||
| 288 | H | 84.2 | Confident | 88.7 | Confident | 159 Ų | 159 | 54 Ų | 54 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -7 | -175.8 | 67.2 | -88.9 | 0 | 0 | 0 | 114.2 | E286 | E286-H288 PolarHBondContact O-N 2.87Å; E286-H288 IonicContact OE2-CE1 3.33Å; E286-H288 PolarHBondContact OE2-CE1 3.38Å; E286-H288 IonicContact OE2-ND1 2.68Å; E286-H288 IonicContact OE2-NE2 3.52Å |
| 289 | E | 86 | Confident | 88.2 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -103.6 | 155.1 | -179.9 | 66.2 | -178.4 | 173.9 | 0 | 0 | 112.5 | K285 E286 P315 R318 | K285-E289 WeakPolarHBondContact CA-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-O 3.3Å; K285-E289 HydrophobicContact CG-CG 4.05Å; E286-E289 HydrophobicContact CB-CG 3.92Å; E286-E289 PolarHBondContact N-OE1 3.4Å; E286-E289 WeakPolarHBondContact O-CG 3.47Å; E286-E289 PolarHBondContact O-N 2.73Å; E289-P315 HydrophobicContact CG-CG 3.81Å; E289-P315 VanDerWaalsContact OE1-CG 3.28Å; E289-P315 WeakPolarHBondContact OE1-CG 3.47Å; E289-P315 WeakPolarHBondContact OE2-CD 3.34Å; E289-P315 WeakPolarHBondContact OE2-CG 3.49Å; E289-R318 VanDerWaalsContact CD-NH2 3.26Å; E289-R318 IonicContact OE1-CZ 2.8Å; E289-R318 IonicContact OE1-NH2 3.99Å; E289-R318 PolarHBondContact OE1-NH2 3.18Å; E289-R318 IonicContact OE2-CZ 3.5Å; E289-R318 IonicContact OE2-NH1 3.53Å; E289-R318 PolarHBondContact OE2-NH1 2.8Å; E289-R318 IonicContact OE2-NH2 3.53Å; E289-R318 PolarHBondContact OE2-NH2 2.91Å |
| 290 | G | 89.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 56 Ų | 56 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -82 | 172.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G292 P315 | G290-G292 PolarHBondContact O-N 2.97Å; G290-P315 WeakPolarHBondContact O-CD 3.38Å; G290-P315 VanDerWaalsContact O-CG 3.24Å; G290-P315 WeakPolarHBondContact O-CG 3.38Å | ||
| 291 | L | 92 | Very high | 85.6 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | trans | -66.8 | -27.3 | 172.6 | -78.5 | 168.2 | 0 | 0 | 0 | 112.7 | L283 K285 I293 A316 L348 I355 F357 | L283-L291 HydrophobicContact CD1-CD2 3.79Å; L283-L291 HydrophobicContact CD2-CD2 4.37Å; K285-L291 HydrophobicContact CD-CD2 4.11Å; K285-L291 HydrophobicContact CD-CG 4.31Å; L291-I293 HydrophobicContact CB-CG1 4.09Å; L291-I293 HydrophobicContact CD1-CD1 4.45Å; L291-A316 WeakPolarHBondContact O-CB 3.49Å; L291-A316 PolarHBondContact O-N 3.25Å; L291-L348 HydrophobicContact CD1-CB 3.91Å; L291-L348 HydrophobicContact CD1-CD2 4.33Å; L291-L348 WeakPolarHBondContact CD1-O 3.01Å; L291-I355 HydrophobicContact CD2-CD1 3.61Å; L291-F357 HydrophobicContact CD1-CZ 4.33Å; L291-F357 HydrophobicContact CD2-CE2 4.36Å; L291-F357 HydrophobicContact CD2-CZ 4.11Å | ||
| 292 | G | 91.9 | Very high | 83.8 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | trans | 77.9 | 25.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G290 H311 Q314 | G290-G292 PolarHBondContact O-N 2.97Å; G292-H311 PolarHBondContact O-N 2.92Å; G292-Q314 VanDerWaalsContact CA-CB 3.49Å | ||
| 293 | I | 91.3 | Very high | 82.6 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.3 | 174.8 | 61.3 | -179.9 | 0 | 0 | 0 | 110.4 | L291 I295 I307 E309 I310 A316 L322 I328 | L291-I293 HydrophobicContact CB-CG1 4.09Å; L291-I293 HydrophobicContact CD1-CD1 4.45Å; I293-I295 HydrophobicContact CD1-CG2 3.92Å; I293-I295 HydrophobicContact CG1-CG2 4.16Å; I293-I307 HydrophobicContact CB-CG2 4.39Å; I293-I307 HydrophobicContact CG2-CD1 4.48Å; I293-I307 HydrophobicContact CG2-CG2 4.34Å; I293-E309 WeakPolarHBondContact CA-O 3.23Å; I293-I310 HydrophobicContact CG2-CG1 4.4Å; I293-A316 HydrophobicContact CG2-CB 3.24Å; I293-L322 HydrophobicContact CG2-CD1 4.35Å; I293-I328 HydrophobicContact CD1-CD1 4.13Å |
| 294 | S | 87.8 | Confident | 81.9 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.7 | 160.5 | -60.9 | 0 | 0 | 0 | 0 | 108.7 | S308 E309 H311 | S294-S308 VanDerWaalsContact C-OG 3.3Å; S294-S308 VanDerWaalsContact CB-OG 3.25Å; S294-S308 WeakPolarHBondContact CB-OG 3.41Å; S294-S308 PolarHBondContact O-N 2.99Å; S294-S308 PolarHBondContact O-OG 3.12Å; S294-S308 VanDerWaalsContact O-OG 3.1Å; S294-E309 PolarHBondContact N-O 3.14Å; S294-H311 PolarHBondContact OG-NE2 2.9Å |
| 295 | I | 86.9 | Confident | 81.7 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.3 | 178.7 | 68.1 | 179 | 0 | 0 | 0 | 110.8 | I293 I305 L306 I328 H341 A344 V345 L348 | I293-I295 HydrophobicContact CD1-CG2 3.92Å; I293-I295 HydrophobicContact CG1-CG2 4.16Å; I295-I305 HydrophobicContact CB-CG2 4.12Å; I295-I305 HydrophobicContact CD1-CG2 4.05Å; I295-I305 HydrophobicContact CG2-CG2 4.35Å; I295-L306 CarbonylContact C-O 3.56Å; I295-L306 VanDerWaalsContact CA-O 3.23Å; I295-L306 WeakPolarHBondContact CA-O 3.49Å; I295-I328 HydrophobicContact CG2-CD1 4.17Å; I295-H341 PolarHBondContact O-CE1 2.94Å; I295-A344 HydrophobicContact CD1-CB 4.28Å; I295-V345 HydrophobicContact CD1-CG2 3.76Å; I295-V345 HydrophobicContact CG1-CG2 4.29Å; I295-L348 HydrophobicContact CD1-CD1 3.65Å; I295-L348 HydrophobicContact CG2-CD1 4.19Å |
| 296 | T | 82.8 | Confident | 81.4 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 168.2 | 174.9 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | I305 L306 | T296-I305 WeakPolarHBondContact O-CA 3.33Å; T296-L306 PolarHBondContact N-O 2.94Å; T296-L306 PolarHBondContact O-N 3.22Å |
| 297 | G | 82.4 | Confident | 81.4 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | -166.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H341 | G297-H341 VanDerWaalsContact O-CB 3.27Å; G297-H341 WeakPolarHBondContact O-CB 3.45Å; G297-H341 PolarHBondContact O-ND1 3.31Å |
| 298 | G | 74.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | 155.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E300 H301 G302 V303 | G298-E300 VanDerWaalsContact C-OE2 3.27Å; G298-E300 WeakPolarHBondContact CA-OE2 3.35Å; G298-E300 PolarHBondContact O-N 2.88Å; G298-H301 CarbonylContact O-C 3.49Å; G298-H301 WeakPolarHBondContact O-CA 3.26Å; G298-H301 WeakPolarHBondContact O-CB 3.36Å; G298-H301 PolarHBondContact O-N 3.24Å; G298-G302 PolarHBondContact O-N 2.82Å; G298-V303 CarbonylContact C-O 3.51Å; G298-V303 WeakPolarHBondContact CA-O 3.3Å; G298-V303 PolarHBondContact N-O 2.87Å; G298-V303 PolarHBondContact O-N 3.08Å |
| 299 | K | 76.5 | Confident | 81.2 | Confident | 117 Ų | 117 | 40.1 Ų | 40.1 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -55.2 | -35.7 | -178.2 | 178.6 | 167.7 | -176.6 | 154.8 | 0 | 113.6 | H301 G302 D338 A339 | K299-H301 PolarHBondContact O-N 3.38Å; K299-G302 PolarHBondContact O-N 3.1Å; K299-G302 VanDerWaalsContact O-N 3.15Å; K299-D338 HydrophobicContact CD-CB 4.12Å; K299-D338 WeakPolarHBondContact CD-O 3.48Å; K299-D338 IonicContact NZ-OD1 2.74Å; K299-D338 PolarHBondContact NZ-OD1 3.02Å; K299-A339 PolarHBondContact N-O 3.35Å |
| 300 | E | 68.4 | Low | 81.2 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -64.7 | -17 | 176.4 | 69.3 | -88.5 | -129.9 | 0 | 0 | 113.6 | G298 K340 H341 | G298-E300 VanDerWaalsContact C-OE2 3.27Å; G298-E300 WeakPolarHBondContact CA-OE2 3.35Å; G298-E300 PolarHBondContact O-N 2.88Å; E300-K340 WeakPolarHBondContact OE2-CA 3.31Å; E300-K340 WeakPolarHBondContact OE2-CB 3.23Å; E300-H341 VanDerWaalsContact OE1-CB 3.26Å; E300-H341 WeakPolarHBondContact OE1-CB 3.39Å; E300-H341 PolarHBondContact OE1-N 3.49Å; E300-H341 PolarHBondContact OE2-N 2.9Å |
| 301 | H | 62.6 | Low | 81 | Confident | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.389 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -107.9 | 3.4 | 178 | -56.3 | -53.4 | 0 | 0 | 0 | 112.6 | G298 K299 V303 | G298-H301 CarbonylContact O-C 3.49Å; G298-H301 WeakPolarHBondContact O-CA 3.26Å; G298-H301 WeakPolarHBondContact O-CB 3.36Å; G298-H301 PolarHBondContact O-N 3.24Å; K299-H301 PolarHBondContact O-N 3.38Å; H301-V303 HydrophobicContact CB-CG2 3.69Å; H301-V303 PolarHBondContact O-N 2.95Å |
| 302 | G | 56.9 | Low | 80.7 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 76% | 0.763 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G298 K299 | G298-G302 PolarHBondContact O-N 2.82Å; K299-G302 PolarHBondContact O-N 3.1Å; K299-G302 VanDerWaalsContact O-N 3.15Å |
| 303 | V | 70 | Confident | 80.5 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.7 | -178.6 | -73.7 | 0 | 0 | 0 | 0 | 110.5 | L238 G298 H301 | L238-V303 HydrophobicContact CD1-CG1 4.2Å; L238-V303 HydrophobicContact CD1-CG2 4.14Å; L238-V303 HydrophobicContact CD2-CG1 3.77Å; G298-V303 CarbonylContact C-O 3.51Å; G298-V303 WeakPolarHBondContact CA-O 3.3Å; G298-V303 PolarHBondContact N-O 2.87Å; G298-V303 PolarHBondContact O-N 3.08Å; H301-V303 HydrophobicContact CB-CG2 3.69Å; H301-V303 PolarHBondContact O-N 2.95Å |
| 304 | P | 78.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 163.8 | 176.5 | 28.8 | -34.6 | 0 | 0 | 0 | 111.2 | L306 A327 | P304-L306 HydrophobicContact CG-CD1 4.46Å; P304-L306 HydrophobicContact CG-CD2 4.46Å; P304-L306 HydrophobicContact CG-CG 4.24Å; P304-L306 PolarHBondContact O-N 2.95Å; P304-L306 VanDerWaalsContact O-N 3.17Å; P304-A327 HydrophobicContact CB-CB 4.08Å; P304-A327 HydrophobicContact CG-CB 4.04Å |
| 305 | I | 87.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 111.5 | 172.7 | -57.6 | -61.8 | 0 | 0 | 0 | 108.6 | I295 T296 A327 I328 A344 | I295-I305 HydrophobicContact CB-CG2 4.12Å; I295-I305 HydrophobicContact CD1-CG2 4.05Å; I295-I305 HydrophobicContact CG2-CG2 4.35Å; T296-I305 WeakPolarHBondContact O-CA 3.33Å; I305-A327 CarbonylContact O-C 3.58Å; I305-A327 WeakPolarHBondContact O-CA 3.36Å; I305-I328 HydrophobicContact CG2-CB 4.41Å; I305-I328 HydrophobicContact CG2-CD1 4.22Å; I305-I328 PolarHBondContact O-N 2.86Å; I305-A344 HydrophobicContact CD1-CB 3.45Å; I305-A344 VanDerWaalsContact CD1-CB 3.45Å; I305-A344 HydrophobicContact CG1-CB 3.67Å; I305-A344 HydrophobicContact CG2-CB 4.21Å |
| 306 | L | 86.1 | Confident | 81.2 | Confident | 40 Ų | 40 | 50 Ų | 50 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.8 | -173.8 | -73.5 | 159.4 | 0 | 0 | 0 | 111.7 | I295 T296 P304 S308 D326 A327 V362 | I295-L306 CarbonylContact C-O 3.56Å; I295-L306 VanDerWaalsContact CA-O 3.23Å; I295-L306 WeakPolarHBondContact CA-O 3.49Å; T296-L306 PolarHBondContact N-O 2.94Å; T296-L306 PolarHBondContact O-N 3.22Å; P304-L306 HydrophobicContact CG-CD1 4.46Å; P304-L306 HydrophobicContact CG-CD2 4.46Å; P304-L306 HydrophobicContact CG-CG 4.24Å; P304-L306 PolarHBondContact O-N 2.95Å; P304-L306 VanDerWaalsContact O-N 3.17Å; L306-S308 PolarHBondContact O-N 2.93Å; L306-D326 CarbonylContact C-O 3.2Å; L306-D326 WeakPolarHBondContact CA-O 3.49Å; L306-A327 HydrophobicContact CD2-CB 3.74Å; L306-V362 HydrophobicContact CD2-CB 4.3Å; L306-V362 HydrophobicContact CD2-CG2 4.2Å |
| 307 | I | 88.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 111.9 | 170.6 | -58.6 | -177.2 | 0 | 0 | 0 | 109 | I293 I310 L322 G325 D326 I328 | I293-I307 HydrophobicContact CB-CG2 4.39Å; I293-I307 HydrophobicContact CG2-CD1 4.48Å; I293-I307 HydrophobicContact CG2-CG2 4.34Å; I307-I310 HydrophobicContact CG2-CD1 4.28Å; I307-I310 HydrophobicContact CG2-CG1 3.74Å; I307-L322 HydrophobicContact CD1-CB 4.08Å; I307-L322 HydrophobicContact CD1-CD1 4.14Å; I307-L322 HydrophobicContact CD1-CD2 4.01Å; I307-L322 HydrophobicContact CD1-CG 4.3Å; I307-G325 PolarHBondContact O-N 3.32Å; I307-D326 HydrophobicContact CD1-CB 4.03Å; I307-D326 HydrophobicContact CG1-CB 4.36Å; I307-D326 PolarHBondContact N-O 3.38Å; I307-I328 HydrophobicContact CD1-CD1 4.38Å; I307-I328 HydrophobicContact CD1-CG1 4.37Å; I307-I328 HydrophobicContact CG1-CD1 3.97Å; I307-I328 HydrophobicContact CG1-CG1 4.07Å |
| 308 | S | 80.7 | Confident | 82 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -25.3 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | R249 S294 L306 | R249-S308 PolarHBondContact NH2-O 2.87Å; S294-S308 VanDerWaalsContact C-OG 3.3Å; S294-S308 VanDerWaalsContact CB-OG 3.25Å; S294-S308 WeakPolarHBondContact CB-OG 3.41Å; S294-S308 PolarHBondContact O-N 2.99Å; S294-S308 PolarHBondContact O-OG 3.12Å; S294-S308 VanDerWaalsContact O-OG 3.1Å; L306-S308 PolarHBondContact O-N 2.93Å |
| 309 | E | 82.3 | Confident | 82.8 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 147.4 | -179.5 | -167.8 | -179.7 | -156.9 | 0 | 0 | 110 | I293 S294 H311 | I293-E309 WeakPolarHBondContact CA-O 3.23Å; S294-E309 PolarHBondContact N-O 3.14Å; E309-H311 IonicContact OE2-CD2 2.92Å; E309-H311 IonicContact OE2-NE2 3.92Å; E309-H311 PolarHBondContact OE2-NE2 2.98Å; E309-H311 VanDerWaalsContact OE2-NE2 3.13Å |
| 310 | I | 86.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.3 | 171.3 | -62.2 | 178.4 | 0 | 0 | 0 | 107.5 | I293 I307 A316 D317 L322 V324 | I293-I310 HydrophobicContact CG2-CG1 4.4Å; I307-I310 HydrophobicContact CG2-CD1 4.28Å; I307-I310 HydrophobicContact CG2-CG1 3.74Å; I310-A316 HydrophobicContact CG2-CB 4.21Å; I310-D317 HydrophobicContact CG2-CB 3.79Å; I310-L322 VanDerWaalsContact CD1-C 3.47Å; I310-L322 HydrophobicContact CD1-CB 4.1Å; I310-L322 WeakPolarHBondContact CD1-O 3.35Å; I310-V324 HydrophobicContact CD1-CG2 4.38Å; I310-V324 HydrophobicContact CG1-CG2 4.06Å |
| 311 | H | 86.4 | Confident | 84.2 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | trans | -87 | 128.8 | -173.2 | -72.3 | -143 | 0 | 0 | 0 | 109.6 | G292 S294 E309 Q314 D317 | G292-H311 PolarHBondContact O-N 2.92Å; S294-H311 PolarHBondContact OG-NE2 2.9Å; E309-H311 IonicContact OE2-CD2 2.92Å; E309-H311 IonicContact OE2-NE2 3.92Å; E309-H311 PolarHBondContact OE2-NE2 2.98Å; E309-H311 VanDerWaalsContact OE2-NE2 3.13Å; H311-Q314 HydrophobicContact CB-CB 4.23Å; H311-Q314 HydrophobicContact CB-CG 3.79Å; H311-Q314 WeakPolarHBondContact O-CB 3.23Å; H311-Q314 PolarHBondContact O-N 2.92Å; H311-D317 VanDerWaalsContact O-CB 3.31Å; H311-D317 WeakPolarHBondContact O-CB 3.35Å | ||
| 312 | P | 86.5 | Confident | 85.6 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 142.8 | -174.5 | 25.1 | -34 | 0 | 0 | 0 | 111.9 | Q314 D317 | P312-Q314 PolarHBondContact O-N 3.44Å; P312-D317 WeakPolarHBondContact CA-OD2 3.19Å |
| 313 | N | 87.4 | Confident | 86.9 | Confident | 126 Ų | 126 | 47.4 Ų | 47.4 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 6.6 | -179.5 | -52 | -60.7 | 0 | 0 | 0 | 115.9 | D317 R318 | N313-D317 PolarHBondContact N-OD2 3.03Å; N313-R318 PolarHBondContact O-NH1 3.42Å |
| 314 | Q | 92.4 | Very high | 87.6 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -91.4 | 166.3 | 175.7 | -65.9 | -68.8 | -38.4 | 0 | 0 | 111.5 | G292 H311 P312 A316 D317 R318 | G292-Q314 VanDerWaalsContact CA-CB 3.49Å; H311-Q314 HydrophobicContact CB-CB 4.23Å; H311-Q314 HydrophobicContact CB-CG 3.79Å; H311-Q314 WeakPolarHBondContact O-CB 3.23Å; H311-Q314 PolarHBondContact O-N 2.92Å; P312-Q314 PolarHBondContact O-N 3.44Å; Q314-A316 VanDerWaalsContact C-N 3.28Å; Q314-A316 PolarHBondContact O-N 3.09Å; Q314-A316 VanDerWaalsContact O-N 3.12Å; Q314-D317 WeakPolarHBondContact O-CB 3.42Å; Q314-D317 PolarHBondContact O-N 3.37Å; Q314-R318 WeakPolarHBondContact O-CG 3.42Å; Q314-R318 PolarHBondContact O-N 3.43Å |
| 315 | P | 93.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -48.8 | -42.9 | -175.1 | -34.4 | 39.7 | 0 | 0 | 0 | 115.7 | L283 K285 E289 G290 R318 C319 | L283-P315 HydrophobicContact CD1-CB 4.07Å; K285-P315 HydrophobicContact CB-CG 4.48Å; E289-P315 HydrophobicContact CG-CG 3.81Å; E289-P315 VanDerWaalsContact OE1-CG 3.28Å; E289-P315 WeakPolarHBondContact OE1-CG 3.47Å; E289-P315 WeakPolarHBondContact OE2-CD 3.34Å; E289-P315 WeakPolarHBondContact OE2-CG 3.49Å; G290-P315 WeakPolarHBondContact O-CD 3.38Å; G290-P315 VanDerWaalsContact O-CG 3.24Å; G290-P315 WeakPolarHBondContact O-CG 3.38Å; P315-R318 PolarHBondContact O-N 2.88Å; P315-C319 WeakPolarHBondContact O-CB 3.33Å; P315-C319 PolarHBondContact O-N 3.49Å |
| 316 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L283 L291 I293 I310 Q314 C319 L322 | L283-A316 HydrophobicContact CD2-CB 4.49Å; L291-A316 WeakPolarHBondContact O-CB 3.49Å; L291-A316 PolarHBondContact O-N 3.25Å; I293-A316 HydrophobicContact CG2-CB 3.24Å; I310-A316 HydrophobicContact CG2-CB 4.21Å; Q314-A316 VanDerWaalsContact C-N 3.28Å; Q314-A316 PolarHBondContact O-N 3.09Å; Q314-A316 VanDerWaalsContact O-N 3.12Å; A316-C319 PolarHBondContact O-SG 2.95Å; A316-L322 HydrophobicContact CB-CD1 3.91Å |
| 317 | D | 91.8 | Very high | 87.6 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.5 | -47.2 | 173.6 | -173.8 | 48.2 | 0 | 0 | 0 | 110.7 | I310 H311 P312 N313 Q314 C319 G320 | I310-D317 HydrophobicContact CG2-CB 3.79Å; H311-D317 VanDerWaalsContact O-CB 3.31Å; H311-D317 WeakPolarHBondContact O-CB 3.35Å; P312-D317 WeakPolarHBondContact CA-OD2 3.19Å; N313-D317 PolarHBondContact N-OD2 3.03Å; Q314-D317 WeakPolarHBondContact O-CB 3.42Å; Q314-D317 PolarHBondContact O-N 3.37Å; D317-C319 PolarHBondContact O-N 2.96Å; D317-G320 PolarHBondContact O-N 3.48Å |
| 318 | R | 92.1 | Very high | 87.9 | Confident | 129 Ų | 129 | 43.7 Ų | 43.7 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -29.5 | -179.6 | -63.7 | -167.1 | -50.1 | -103.6 | 7.8 | 113.4 | E289 N313 Q314 P315 G320 | E289-R318 VanDerWaalsContact CD-NH2 3.26Å; E289-R318 IonicContact OE1-CZ 2.8Å; E289-R318 IonicContact OE1-NH2 3.99Å; E289-R318 PolarHBondContact OE1-NH2 3.18Å; E289-R318 IonicContact OE2-CZ 3.5Å; E289-R318 IonicContact OE2-NH1 3.53Å; E289-R318 PolarHBondContact OE2-NH1 2.8Å; E289-R318 IonicContact OE2-NH2 3.53Å; E289-R318 PolarHBondContact OE2-NH2 2.91Å; N313-R318 PolarHBondContact O-NH1 3.42Å; Q314-R318 WeakPolarHBondContact O-CG 3.42Å; Q314-R318 PolarHBondContact O-N 3.43Å; P315-R318 PolarHBondContact O-N 2.88Å; R318-G320 VanDerWaalsContact C-N 3.32Å |
| 319 | C | 89.8 | Confident | 88.5 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.9 | 178.8 | 82.2 | 0 | 0 | 0 | 0 | 113.4 | L283 P315 A316 D317 G321 | L283-C319 HydrophobicContact CB-CB 3.61Å; P315-C319 WeakPolarHBondContact O-CB 3.33Å; P315-C319 PolarHBondContact O-N 3.49Å; A316-C319 PolarHBondContact O-SG 2.95Å; D317-C319 PolarHBondContact O-N 2.96Å; C319-G321 PolarHBondContact O-N 3.35Å |
| 320 | G | 87.5 | Confident | 89.1 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 56% | 0.557 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 60.7 | 1.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D317 R318 | D317-G320 PolarHBondContact O-N 3.48Å; R318-G320 VanDerWaalsContact C-N 3.32Å |
| 321 | G | 87.7 | Confident | 89.6 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | trans | -97.8 | -25.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R279 V281 C319 H323 | R279-G321 PolarHBondContact NH1-O 2.91Å; V281-G321 WeakPolarHBondContact CG2-O 3.44Å; C319-G321 PolarHBondContact O-N 3.35Å; G321-H323 PolarHBondContact O-CE1 3.01Å; G321-H323 VanDerWaalsContact O-CE1 3.3Å; G321-H323 PolarHBondContact O-ND1 3.33Å | ||
| 322 | L | 90.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -88.4 | 140.6 | 176.9 | -65.6 | -179 | 0 | 0 | 0 | 110.5 | V281 L283 I293 I307 I310 A316 F357 V359 | V281-L322 HydrophobicContact CB-CD2 4.06Å; V281-L322 HydrophobicContact CG1-CD2 4.04Å; V281-L322 HydrophobicContact CG1-CG 3.98Å; V281-L322 HydrophobicContact CG2-CD2 4.24Å; L283-L322 HydrophobicContact CD2-CD1 3.66Å; I293-L322 HydrophobicContact CG2-CD1 4.35Å; I307-L322 HydrophobicContact CD1-CB 4.08Å; I307-L322 HydrophobicContact CD1-CD1 4.14Å; I307-L322 HydrophobicContact CD1-CD2 4.01Å; I307-L322 HydrophobicContact CD1-CG 4.3Å; I310-L322 VanDerWaalsContact CD1-C 3.47Å; I310-L322 HydrophobicContact CD1-CB 4.1Å; I310-L322 WeakPolarHBondContact CD1-O 3.35Å; A316-L322 HydrophobicContact CB-CD1 3.91Å; L322-F357 HydrophobicContact CD2-CB 4.32Å; L322-F357 HydrophobicContact CD2-CG 4.37Å; L322-V359 HydrophobicContact CD2-CG1 3.84Å; L322-V359 HydrophobicContact CD2-CG2 4.42Å | ||
| 323 | H | 85.9 | Confident | 90 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | trans | -132 | 149 | -178.6 | -58.8 | 74.3 | 0 | 0 | 0 | 110.3 | P259 P261 R279 G321 G325 D326 Y361 | P259-H323 PolarHBondContact O-CD2 3.33Å; P259-H323 VanDerWaalsContact O-CD2 3.23Å; P261-H323 HydrophobicContact CG-CB 4.23Å; R279-H323 PolarHBondContact NH1-ND1 3.44Å; G321-H323 PolarHBondContact O-CE1 3.01Å; G321-H323 VanDerWaalsContact O-CE1 3.3Å; G321-H323 PolarHBondContact O-ND1 3.33Å; H323-G325 PolarHBondContact O-N 2.85Å; H323-D326 PolarHBondContact N-OD2 3.47Å; H323-D326 IonicContact ND1-OD2 3.76Å; H323-D326 VanDerWaalsContact O-CB 3.27Å; H323-D326 WeakPolarHBondContact O-CB 3.47Å; H323-D326 PolarHBondContact O-N 2.83Å; H323-Y361 HydrophobicContact CB-CD2 4.34Å; H323-Y361 HydrophobicContact CB-CE2 4.34Å | ||
| 324 | V | 83.3 | Confident | 90.4 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 129.2 | 172 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | L258 I310 Y361 | L258-V324 HydrophobicContact CD1-CB 4.2Å; L258-V324 HydrophobicContact CD1-CG1 4.08Å; I310-V324 HydrophobicContact CD1-CG2 4.38Å; I310-V324 HydrophobicContact CG1-CG2 4.06Å; V324-Y361 WeakPolarHBondContact O-CE2 3.38Å |
| 325 | G | 78.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 19% | 0.186 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -5.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | I307 H323 A327 V362 | I307-G325 PolarHBondContact O-N 3.32Å; H323-G325 PolarHBondContact O-N 2.85Å; G325-A327 PolarHBondContact O-N 3.49Å; G325-V362 PolarHBondContact O-N 3.41Å |
| 326 | D | 87.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.7 | 170.1 | -81.3 | -27.7 | 0 | 0 | 0 | 111.1 | R279 L306 I307 H323 V359 V360 Y361 | R279-D326 IonicContact CZ-OD1 3.88Å; R279-D326 IonicContact CZ-OD2 3.22Å; R279-D326 IonicContact NH2-OD1 2.59Å; R279-D326 PolarHBondContact NH2-OD1 3.22Å; R279-D326 IonicContact NH2-OD2 2.86Å; R279-D326 PolarHBondContact NH2-OD2 3.37Å; L306-D326 CarbonylContact C-O 3.2Å; L306-D326 WeakPolarHBondContact CA-O 3.49Å; I307-D326 HydrophobicContact CD1-CB 4.03Å; I307-D326 HydrophobicContact CG1-CB 4.36Å; I307-D326 PolarHBondContact N-O 3.38Å; H323-D326 PolarHBondContact N-OD2 3.47Å; H323-D326 IonicContact ND1-OD2 3.76Å; H323-D326 VanDerWaalsContact O-CB 3.27Å; H323-D326 WeakPolarHBondContact O-CB 3.47Å; H323-D326 PolarHBondContact O-N 2.83Å; D326-V359 HydrophobicContact CB-CB 4.09Å; D326-V359 HydrophobicContact CB-CG1 4.42Å; D326-V359 HydrophobicContact CB-CG2 4.46Å; D326-V360 CarbonylContact C-O 3.54Å; D326-V360 WeakPolarHBondContact CA-O 3.44Å; D326-Y361 VanDerWaalsContact OD1-CA 3.27Å; D326-Y361 WeakPolarHBondContact OD1-CA 3.43Å; D326-Y361 WeakPolarHBondContact OD1-CB 3.42Å; D326-Y361 PolarHBondContact OD1-N 3.42Å |
| 327 | A | 87.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P304 I305 L306 G325 L329 V359 V360 V362 | P304-A327 HydrophobicContact CB-CB 4.08Å; P304-A327 HydrophobicContact CG-CB 4.04Å; I305-A327 CarbonylContact O-C 3.58Å; I305-A327 WeakPolarHBondContact O-CA 3.36Å; L306-A327 HydrophobicContact CD2-CB 3.74Å; G325-A327 PolarHBondContact O-N 3.49Å; A327-L329 PolarHBondContact O-N 3.47Å; A327-V359 CarbonylContact O-C 3.52Å; A327-V359 VanDerWaalsContact O-CA 3.22Å; A327-V359 WeakPolarHBondContact O-CA 3.34Å; A327-V360 HydrophobicContact CB-CG1 3.85Å; A327-V360 PolarHBondContact N-O 3.26Å; A327-V360 PolarHBondContact O-N 3.38Å; A327-V362 HydrophobicContact CB-CG2 3.82Å |
| 328 | I | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.9 | 178.9 | -52.8 | 173.6 | 0 | 0 | 0 | 108.8 | I293 I295 I305 I307 L336 L348 F357 V359 | I293-I328 HydrophobicContact CD1-CD1 4.13Å; I295-I328 HydrophobicContact CG2-CD1 4.17Å; I305-I328 HydrophobicContact CG2-CB 4.41Å; I305-I328 HydrophobicContact CG2-CD1 4.22Å; I305-I328 PolarHBondContact O-N 2.86Å; I307-I328 HydrophobicContact CD1-CD1 4.38Å; I307-I328 HydrophobicContact CD1-CG1 4.37Å; I307-I328 HydrophobicContact CG1-CD1 3.97Å; I307-I328 HydrophobicContact CG1-CG1 4.07Å; I328-L336 HydrophobicContact CG2-CD1 3.57Å; I328-L348 HydrophobicContact CD1-CD1 4.2Å; I328-F357 HydrophobicContact CD1-CD1 4.44Å; I328-F357 HydrophobicContact CD1-CE1 4.19Å; I328-F357 HydrophobicContact CG2-CD1 3.96Å; I328-F357 HydrophobicContact CG2-CE1 4.39Å; I328-V359 HydrophobicContact CG1-CG1 4.32Å |
| 329 | L | 93.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -40.5 | 179.5 | -55.2 | -179.6 | 0 | 0 | 0 | 111.5 | I278 A327 N335 L336 R337 E358 V360 | I278-L329 HydrophobicContact CD1-CD1 3.83Å; I278-L329 HydrophobicContact CG1-CD1 3.82Å; I278-L329 HydrophobicContact CG2-CD1 4.14Å; A327-L329 PolarHBondContact O-N 3.47Å; L329-N335 PolarHBondContact O-OD1 3.36Å; L329-L336 PolarHBondContact O-N 3.36Å; L329-R337 HydrophobicContact CB-CG 4.34Å; L329-R337 HydrophobicContact CD2-CG 4.12Å; L329-E358 WeakPolarHBondContact CA-O 3.29Å; L329-E358 HydrophobicContact CB-CB 4.37Å; L329-E358 WeakPolarHBondContact CB-O 3.4Å; L329-E358 PolarHBondContact N-O 3.26Å; L329-V360 HydrophobicContact CD1-CB 4.25Å; L329-V360 HydrophobicContact CD1-CG1 4.18Å; L329-V360 HydrophobicContact CD2-CG1 4.03Å; L329-V360 HydrophobicContact CG-CG1 4.24Å |
| 330 | A | 96 | Very high | 89.6 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 158.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I334 E358 | A330-I334 CarbonylContact C-O 3.49Å; A330-I334 WeakPolarHBondContact CA-O 3.49Å; A330-I334 VanDerWaalsContact CB-O 3.31Å; A330-I334 WeakPolarHBondContact CB-O 3.42Å; A330-E358 HydrophobicContact CB-CB 4.16Å; A330-E358 PolarHBondContact N-O 2.92Å; A330-E358 PolarHBondContact O-N 2.96Å |
| 331 | V | 96.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.3 | 172 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | S333 I334 L336 I347 L348 Q351 I355 E356 F357 | V331-S333 PolarHBondContact O-N 2.93Å; V331-S333 VanDerWaalsContact O-N 3.15Å; V331-I334 HydrophobicContact CG1-CB 4.42Å; V331-I334 PolarHBondContact N-O 2.88Å; V331-I334 WeakPolarHBondContact O-CA 3.36Å; V331-I334 VanDerWaalsContact O-CB 3.27Å; V331-I334 WeakPolarHBondContact O-CB 3.41Å; V331-I334 PolarHBondContact O-N 3.46Å; V331-L336 HydrophobicContact CB-CD1 4.12Å; V331-L336 HydrophobicContact CG1-CD1 3.7Å; V331-I347 HydrophobicContact CG1-CG2 3.6Å; V331-L348 HydrophobicContact CB-CD2 4.18Å; V331-L348 HydrophobicContact CG1-CD2 4.07Å; V331-L348 HydrophobicContact CG2-CD2 4.2Å; V331-Q351 HydrophobicContact CG1-CG 4.33Å; V331-Q351 HydrophobicContact CG2-CG 3.87Å; V331-I355 HydrophobicContact CG2-CG2 3.29Å; V331-E356 CarbonylContact C-O 3.5Å; V331-E356 VanDerWaalsContact CA-O 3.32Å; V331-E356 WeakPolarHBondContact CA-O 3.43Å; V331-F357 HydrophobicContact CG2-CD1 4.34Å; V331-F357 HydrophobicContact CG2-CE1 4.12Å; V331-F357 HydrophobicContact CG2-CE2 4.27Å; V331-F357 HydrophobicContact CG2-CZ 4.08Å |
| 332 | N | 93 | Very high | 89.4 | Confident | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 44.8 | -176.8 | -74.4 | -21.4 | 0 | 0 | 0 | 112.9 | I334 Q351 I355 E356 | N332-I334 PolarHBondContact O-N 3.36Å; N332-Q351 PolarHBondContact ND2-OE1 2.96Å; N332-I355 WeakPolarHBondContact OD1-CA 3.46Å; N332-E356 PolarHBondContact N-O 2.99Å; N332-E356 PolarHBondContact OD1-N 3.24Å |
| 333 | S | 88.7 | Confident | 89.5 | Confident | 118 Ų | 118 | 54.4 Ų | 54.4 | 83% | 0.825 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 3.5 | -175.2 | -48 | 0 | 0 | 0 | 0 | 116.6 | V331 | V331-S333 PolarHBondContact O-N 2.93Å; V331-S333 VanDerWaalsContact O-N 3.15Å |
| 334 | I | 95.2 | Very high | 89.8 | Confident | 71 Ų | 71 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119 | 172.3 | -54.5 | 172.2 | 0 | 0 | 0 | 108.9 | A330 V331 N332 I347 | A330-I334 CarbonylContact C-O 3.49Å; A330-I334 WeakPolarHBondContact CA-O 3.49Å; A330-I334 VanDerWaalsContact CB-O 3.31Å; A330-I334 WeakPolarHBondContact CB-O 3.42Å; V331-I334 HydrophobicContact CG1-CB 4.42Å; V331-I334 PolarHBondContact N-O 2.88Å; V331-I334 WeakPolarHBondContact O-CA 3.36Å; V331-I334 VanDerWaalsContact O-CB 3.27Å; V331-I334 WeakPolarHBondContact O-CB 3.41Å; V331-I334 PolarHBondContact O-N 3.46Å; N332-I334 PolarHBondContact O-N 3.36Å; I334-I347 HydrophobicContact CB-CG2 4.25Å; I334-I347 HydrophobicContact CD1-CG2 4.02Å; I334-I347 HydrophobicContact CG2-CD1 4Å; I334-I347 HydrophobicContact CG2-CG1 4.49Å; I334-I347 HydrophobicContact CG2-CG2 3.87Å |
| 335 | N | 94.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.3 | -178.9 | -172.1 | -20 | 0 | 0 | 0 | 111.3 | L329 R337 | L329-N335 PolarHBondContact O-OD1 3.36Å; N335-R337 VanDerWaalsContact OD1-CB 3.28Å; N335-R337 WeakPolarHBondContact OD1-CB 3.4Å; N335-R337 VanDerWaalsContact OD1-CG 3.3Å; N335-R337 WeakPolarHBondContact OD1-CG 3.28Å; N335-R337 PolarHBondContact OD1-N 3.46Å |
| 336 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -114 | 0.4 | -179.2 | -74.6 | 164.4 | 0 | 0 | 0 | 113.4 | I328 L329 V331 D338 A339 A344 I347 L348 | I328-L336 HydrophobicContact CG2-CD1 3.57Å; L329-L336 PolarHBondContact O-N 3.36Å; V331-L336 HydrophobicContact CB-CD1 4.12Å; V331-L336 HydrophobicContact CG1-CD1 3.7Å; L336-D338 VanDerWaalsContact C-N 3.28Å; L336-D338 PolarHBondContact O-N 3.08Å; L336-A339 HydrophobicContact CB-CB 4.48Å; L336-A339 HydrophobicContact CD2-CB 3.8Å; L336-A339 WeakPolarHBondContact O-CB 3.27Å; L336-A339 PolarHBondContact O-N 3.43Å; L336-A344 HydrophobicContact CD2-CB 3.82Å; L336-I347 HydrophobicContact CD2-CB 4.27Å; L336-I347 HydrophobicContact CD2-CD1 3.81Å; L336-I347 HydrophobicContact CD2-CG2 4.24Å; L336-L348 HydrophobicContact CD1-CD2 4.21Å; L336-L348 HydrophobicContact CD1-CG 4.4Å | ||
| 337 | R | 88.6 | Confident | 91.4 | Very high | 136 Ų | 136 | 57.7 Ų | 57.7 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -36.1 | -177.1 | -65.7 | -179.8 | -177.7 | 176 | 1.7 | 113.5 | L329 N335 | L329-R337 HydrophobicContact CB-CG 4.34Å; L329-R337 HydrophobicContact CD2-CG 4.12Å; N335-R337 VanDerWaalsContact OD1-CB 3.28Å; N335-R337 WeakPolarHBondContact OD1-CB 3.4Å; N335-R337 VanDerWaalsContact OD1-CG 3.3Å; N335-R337 WeakPolarHBondContact OD1-CG 3.28Å; N335-R337 PolarHBondContact OD1-N 3.46Å |
| 338 | D | 87 | Confident | 91.7 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 9.3 | -179 | -81.9 | -68.1 | 0 | 0 | 0 | 112.8 | K299 L336 | K299-D338 HydrophobicContact CD-CB 4.12Å; K299-D338 WeakPolarHBondContact CD-O 3.48Å; K299-D338 IonicContact NZ-OD1 2.74Å; K299-D338 PolarHBondContact NZ-OD1 3.02Å; L336-D338 VanDerWaalsContact C-N 3.28Å; L336-D338 PolarHBondContact O-N 3.08Å |
| 339 | A | 86.5 | Confident | 91.6 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | trans | -73.5 | 143.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | K299 L336 E343 A344 | K299-A339 PolarHBondContact N-O 3.35Å; L336-A339 HydrophobicContact CB-CB 4.48Å; L336-A339 HydrophobicContact CD2-CB 3.8Å; L336-A339 WeakPolarHBondContact O-CB 3.27Å; L336-A339 PolarHBondContact O-N 3.43Å; A339-E343 HydrophobicContact CB-CG 4.5Å; A339-A344 HydrophobicContact CB-CB 4.31Å | ||
| 340 | K | 85.9 | Confident | 91.5 | Very high | 124 Ų | 124 | 66 Ų | 66 | 54% | 0.539 | 34% | 0.339 | S | S | . | . | trans | -71.8 | 158.7 | 166.7 | -69.3 | -177 | -178.7 | 178.9 | 0 | 110.7 | E300 K342 E343 A344 | E300-K340 WeakPolarHBondContact OE2-CA 3.31Å; E300-K340 WeakPolarHBondContact OE2-CB 3.23Å; K340-K342 VanDerWaalsContact C-N 3.35Å; K340-K342 PolarHBondContact O-N 2.95Å; K340-E343 HydrophobicContact CB-CB 4.25Å; K340-E343 PolarHBondContact N-OE2 3.04Å; K340-E343 WeakPolarHBondContact O-CB 3.39Å; K340-E343 PolarHBondContact O-N 3.35Å; K340-E343 VanDerWaalsContact O-N 3.11Å; K340-A344 PolarHBondContact O-N 2.78Å | ||
| 341 | H | 81.9 | Confident | 91.3 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 27% | 0.269 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -52.9 | -52.1 | 179.9 | -174.7 | 75.7 | 0 | 0 | 0 | 111.9 | I295 G297 E300 E343 A344 V345 | I295-H341 PolarHBondContact O-CE1 2.94Å; G297-H341 VanDerWaalsContact O-CB 3.27Å; G297-H341 WeakPolarHBondContact O-CB 3.45Å; G297-H341 PolarHBondContact O-ND1 3.31Å; E300-H341 VanDerWaalsContact OE1-CB 3.26Å; E300-H341 WeakPolarHBondContact OE1-CB 3.39Å; E300-H341 PolarHBondContact OE1-N 3.49Å; E300-H341 PolarHBondContact OE2-N 2.9Å; H341-E343 VanDerWaalsContact C-N 3.29Å; H341-E343 PolarHBondContact O-N 3.38Å; H341-A344 PolarHBondContact O-N 3.37Å; H341-V345 WeakPolarHBondContact O-CG2 3.37Å; H341-V345 PolarHBondContact O-N 3.24Å |
| 342 | K | 89.6 | Confident | 91 | Very high | 168 Ų | 168 | 72.9 Ų | 72.9 | 73% | 0.73 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.7 | -35.9 | -179.5 | -171.9 | 177.5 | -179.5 | -180 | 0 | 113 | K340 T346 | K340-K342 VanDerWaalsContact C-N 3.35Å; K340-K342 PolarHBondContact O-N 2.95Å; K342-T346 PolarHBondContact O-N 2.86Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.32Å |
| 343 | E | 92.8 | Very high | 90.9 | Very high | 100 Ų | 100 | 71.6 Ų | 71.6 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 177.4 | -176.9 | 178.4 | -167.4 | 0 | 0 | 110.6 | A339 K340 H341 V345 T346 I347 | A339-E343 HydrophobicContact CB-CG 4.5Å; K340-E343 HydrophobicContact CB-CB 4.25Å; K340-E343 PolarHBondContact N-OE2 3.04Å; K340-E343 WeakPolarHBondContact O-CB 3.39Å; K340-E343 PolarHBondContact O-N 3.35Å; K340-E343 VanDerWaalsContact O-N 3.11Å; H341-E343 VanDerWaalsContact C-N 3.29Å; H341-E343 PolarHBondContact O-N 3.38Å; E343-V345 PolarHBondContact O-N 3.47Å; E343-T346 WeakPolarHBondContact O-CB 3.49Å; E343-T346 PolarHBondContact O-N 3.45Å; E343-T346 VanDerWaalsContact O-N 3.1Å; E343-I347 HydrophobicContact CG-CD1 3.87Å; E343-I347 WeakPolarHBondContact O-CG1 3.48Å; E343-I347 PolarHBondContact O-N 2.96Å |
| 344 | A | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I295 I305 L336 A339 K340 H341 T346 I347 L348 | I295-A344 HydrophobicContact CD1-CB 4.28Å; I305-A344 HydrophobicContact CD1-CB 3.45Å; I305-A344 VanDerWaalsContact CD1-CB 3.45Å; I305-A344 HydrophobicContact CG1-CB 3.67Å; I305-A344 HydrophobicContact CG2-CB 4.21Å; L336-A344 HydrophobicContact CD2-CB 3.82Å; A339-A344 HydrophobicContact CB-CB 4.31Å; K340-A344 PolarHBondContact O-N 2.78Å; H341-A344 PolarHBondContact O-N 3.37Å; A344-T346 VanDerWaalsContact C-N 3.28Å; A344-T346 PolarHBondContact O-N 3.39Å; A344-I347 PolarHBondContact O-N 3.46Å; A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.35Å; A344-L348 WeakPolarHBondContact O-CD1 3.04Å; A344-L348 VanDerWaalsContact O-CG 3.24Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 2.86Å |
| 345 | V | 93.7 | Very high | 91.2 | Very high | 63 Ų | 63 | 69.1 Ų | 69.1 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | I295 H341 E343 S349 | I295-V345 HydrophobicContact CD1-CG2 3.76Å; I295-V345 HydrophobicContact CG1-CG2 4.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.37Å; H341-V345 PolarHBondContact O-N 3.24Å; E343-V345 PolarHBondContact O-N 3.47Å; V345-S349 VanDerWaalsContact O-CB 3.23Å; V345-S349 WeakPolarHBondContact O-CB 3.38Å; V345-S349 PolarHBondContact O-N 3.17Å; V345-S349 PolarHBondContact O-OG 2.91Å |
| 346 | T | 94.6 | Very high | 91.3 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 180 | -57.3 | 0 | 0 | 0 | 0 | 111 | K342 E343 A344 L348 S349 Q350 | K342-T346 PolarHBondContact O-N 2.86Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.32Å; E343-T346 WeakPolarHBondContact O-CB 3.49Å; E343-T346 PolarHBondContact O-N 3.45Å; E343-T346 VanDerWaalsContact O-N 3.1Å; A344-T346 VanDerWaalsContact C-N 3.28Å; A344-T346 PolarHBondContact O-N 3.39Å; T346-L348 PolarHBondContact O-N 3.1Å; T346-S349 PolarHBondContact O-N 3.43Å; T346-S349 PolarHBondContact O-OG 3.1Å; T346-Q350 VanDerWaalsContact O-CG 3.23Å; T346-Q350 WeakPolarHBondContact O-CG 3.47Å; T346-Q350 PolarHBondContact O-N 3.31Å |
| 347 | I | 94.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 67.7 Ų | 67.7 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 179 | -68.4 | 165.1 | 0 | 0 | 0 | 110.9 | V331 I334 L336 E343 A344 Q350 Q351 | V331-I347 HydrophobicContact CG1-CG2 3.6Å; I334-I347 HydrophobicContact CB-CG2 4.25Å; I334-I347 HydrophobicContact CD1-CG2 4.02Å; I334-I347 HydrophobicContact CG2-CD1 4Å; I334-I347 HydrophobicContact CG2-CG1 4.49Å; I334-I347 HydrophobicContact CG2-CG2 3.87Å; L336-I347 HydrophobicContact CD2-CB 4.27Å; L336-I347 HydrophobicContact CD2-CD1 3.81Å; L336-I347 HydrophobicContact CD2-CG2 4.24Å; E343-I347 HydrophobicContact CG-CD1 3.87Å; E343-I347 WeakPolarHBondContact O-CG1 3.48Å; E343-I347 PolarHBondContact O-N 2.96Å; A344-I347 PolarHBondContact O-N 3.46Å; I347-Q350 PolarHBondContact O-N 3.05Å; I347-Q351 WeakPolarHBondContact O-CG 3.41Å; I347-Q351 PolarHBondContact O-NE2 3.01Å |
| 348 | L | 94.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | -177.7 | -71.3 | 167.2 | 0 | 0 | 0 | 112.2 | L291 I295 I328 V331 L336 A344 T346 Q350 Q351 F357 | L291-L348 HydrophobicContact CD1-CB 3.91Å; L291-L348 HydrophobicContact CD1-CD2 4.33Å; L291-L348 WeakPolarHBondContact CD1-O 3.01Å; I295-L348 HydrophobicContact CD1-CD1 3.65Å; I295-L348 HydrophobicContact CG2-CD1 4.19Å; I328-L348 HydrophobicContact CD1-CD1 4.2Å; V331-L348 HydrophobicContact CB-CD2 4.18Å; V331-L348 HydrophobicContact CG1-CD2 4.07Å; V331-L348 HydrophobicContact CG2-CD2 4.2Å; L336-L348 HydrophobicContact CD1-CD2 4.21Å; L336-L348 HydrophobicContact CD1-CG 4.4Å; A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.35Å; A344-L348 WeakPolarHBondContact O-CD1 3.04Å; A344-L348 VanDerWaalsContact O-CG 3.24Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 2.86Å; T346-L348 PolarHBondContact O-N 3.1Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å; L348-Q351 PolarHBondContact O-N 3.4Å; L348-F357 HydrophobicContact CD2-CE1 3.61Å; L348-F357 HydrophobicContact CD2-CZ 4.01Å |
| 349 | S | 91.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 59 Ų | 59 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.1 | -29.4 | 178.9 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | V345 T346 Q351 | V345-S349 VanDerWaalsContact O-CB 3.23Å; V345-S349 WeakPolarHBondContact O-CB 3.38Å; V345-S349 PolarHBondContact O-N 3.17Å; V345-S349 PolarHBondContact O-OG 2.91Å; T346-S349 PolarHBondContact O-N 3.43Å; T346-S349 PolarHBondContact O-OG 3.1Å; S349-Q351 VanDerWaalsContact C-N 3.32Å |
| 350 | Q | 91.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -75.4 | -16.5 | 178.3 | -73.1 | 173.8 | 5.6 | 0 | 0 | 113.9 | T346 I347 L348 | T346-Q350 VanDerWaalsContact O-CG 3.23Å; T346-Q350 WeakPolarHBondContact O-CG 3.47Å; T346-Q350 PolarHBondContact O-N 3.31Å; I347-Q350 PolarHBondContact O-N 3.05Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å |
| 351 | Q | 91.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | trans | -68 | 138.7 | 180 | -55.3 | -51.1 | -52.8 | 0 | 0 | 111.5 | K285 V331 N332 I347 L348 S349 I355 | K285-Q351 PolarHBondContact NZ-O 3.13Å; V331-Q351 HydrophobicContact CG1-CG 4.33Å; V331-Q351 HydrophobicContact CG2-CG 3.87Å; N332-Q351 PolarHBondContact ND2-OE1 2.96Å; I347-Q351 WeakPolarHBondContact O-CG 3.41Å; I347-Q351 PolarHBondContact O-NE2 3.01Å; L348-Q351 PolarHBondContact O-N 3.4Å; S349-Q351 VanDerWaalsContact C-N 3.32Å; Q351-I355 HydrophobicContact CB-CD1 3.44Å; Q351-I355 VanDerWaalsContact CB-CD1 3.44Å; Q351-I355 HydrophobicContact CB-CG1 3.86Å; Q351-I355 HydrophobicContact CB-CG2 4.09Å; Q351-I355 HydrophobicContact CG-CG2 4.22Å | ||
| 352 | R | 90.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 54.2 Ų | 54.2 | 50% | 0.502 | 27% | 0.272 | S | S | . | . | trans | -136.5 | 152.7 | -177.7 | -60.8 | -66.6 | 172.4 | -156.6 | -4.3 | 110.5 | K285 Q354 | K285-R352 VanDerWaalsContact NZ-NH1 3.2Å; R352-Q354 PolarHBondContact O-N 2.98Å | ||
| 353 | G | 91.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.7 | -126.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K285 | K285-G353 PolarHBondContact N-O 3.34Å; K285-G353 WeakPolarHBondContact O-CA 3.24Å; K285-G353 PolarHBondContact O-N 3.28Å |
| 354 | Q | 93.9 | Very high | 89 | Confident | 136 Ų | 136 | 47.1 Ų | 47.1 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.8 | 178.7 | -173 | 177.5 | 1.5 | 0 | 0 | 110.5 | V282 L284 R352 | V282-Q354 HydrophobicContact CG1-CG 3.64Å; L284-Q354 HydrophobicContact CD1-CB 4.23Å; R352-Q354 PolarHBondContact O-N 2.98Å |
| 355 | I | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.3 | -174.4 | -51 | 173.1 | 0 | 0 | 0 | 108.8 | V282 L283 K285 L291 V331 N332 Q351 F357 | V282-I355 WeakPolarHBondContact CA-O 3.43Å; L283-I355 HydrophobicContact CD1-CB 4.06Å; L283-I355 HydrophobicContact CD1-CD1 4Å; L283-I355 HydrophobicContact CD1-CG1 4.35Å; L283-I355 HydrophobicContact CG-CB 4.33Å; L283-I355 PolarHBondContact N-O 3.16Å; L283-I355 PolarHBondContact O-N 3.13Å; K285-I355 HydrophobicContact CB-CD1 3.92Å; K285-I355 HydrophobicContact CD-CD1 3.86Å; L291-I355 HydrophobicContact CD2-CD1 3.61Å; V331-I355 HydrophobicContact CG2-CG2 3.29Å; N332-I355 WeakPolarHBondContact OD1-CA 3.46Å; Q351-I355 HydrophobicContact CB-CD1 3.44Å; Q351-I355 VanDerWaalsContact CB-CD1 3.44Å; Q351-I355 HydrophobicContact CB-CG1 3.86Å; Q351-I355 HydrophobicContact CB-CG2 4.09Å; Q351-I355 HydrophobicContact CG-CG2 4.22Å; I355-F357 HydrophobicContact CB-CE2 4.01Å; I355-F357 HydrophobicContact CG2-CD2 3.88Å; I355-F357 HydrophobicContact CG2-CE2 3.33Å; I355-F357 HydrophobicContact CG2-CZ 3.97Å |
| 356 | E | 96.8 | Very high | 84.8 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.8 | 174.9 | -173 | -175.9 | 171.9 | 0 | 0 | 110 | K280 V282 V331 N332 | K280-E356 WeakPolarHBondContact CD-OE1 3.37Å; K280-E356 IonicContact NZ-OE1 2.88Å; K280-E356 PolarHBondContact NZ-OE1 3.43Å; V282-E356 HydrophobicContact CG2-CB 4.48Å; V282-E356 HydrophobicContact CG2-CG 4.29Å; V331-E356 CarbonylContact C-O 3.5Å; V331-E356 VanDerWaalsContact CA-O 3.32Å; V331-E356 WeakPolarHBondContact CA-O 3.43Å; N332-E356 PolarHBondContact N-O 2.99Å; N332-E356 PolarHBondContact OD1-N 3.24Å |
| 357 | F | 96.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.7 | 173.8 | -74 | -100.2 | 0 | 0 | 0 | 110.3 | K280 V281 L283 L291 L322 I328 V331 L348 I355 V359 | K280-F357 CarbonylContact C-O 3.59Å; K280-F357 VanDerWaalsContact CA-O 3.28Å; K280-F357 WeakPolarHBondContact CA-O 3.49Å; V281-F357 HydrophobicContact CB-CB 4.36Å; V281-F357 PolarHBondContact N-O 3.3Å; V281-F357 PolarHBondContact O-N 3Å; L283-F357 HydrophobicContact CD1-CE2 4.35Å; L283-F357 HydrophobicContact CD2-CD2 3.89Å; L283-F357 HydrophobicContact CD2-CE2 3.4Å; L283-F357 HydrophobicContact CD2-CZ 4.19Å; L283-F357 HydrophobicContact CG-CD2 4.17Å; L283-F357 HydrophobicContact CG-CE2 3.77Å; L291-F357 HydrophobicContact CD1-CZ 4.33Å; L291-F357 HydrophobicContact CD2-CE2 4.36Å; L291-F357 HydrophobicContact CD2-CZ 4.11Å; L322-F357 HydrophobicContact CD2-CB 4.32Å; L322-F357 HydrophobicContact CD2-CG 4.37Å; I328-F357 HydrophobicContact CD1-CD1 4.44Å; I328-F357 HydrophobicContact CD1-CE1 4.19Å; I328-F357 HydrophobicContact CG2-CD1 3.96Å; I328-F357 HydrophobicContact CG2-CE1 4.39Å; V331-F357 HydrophobicContact CG2-CD1 4.34Å; V331-F357 HydrophobicContact CG2-CE1 4.12Å; V331-F357 HydrophobicContact CG2-CE2 4.27Å; V331-F357 HydrophobicContact CG2-CZ 4.08Å; L348-F357 HydrophobicContact CD2-CE1 3.61Å; L348-F357 HydrophobicContact CD2-CZ 4.01Å; I355-F357 HydrophobicContact CB-CE2 4.01Å; I355-F357 HydrophobicContact CG2-CD2 3.88Å; I355-F357 HydrophobicContact CG2-CE2 3.33Å; I355-F357 HydrophobicContact CG2-CZ 3.97Å; F357-V359 HydrophobicContact CB-CG1 4.03Å |
| 358 | E | 95.8 | Very high | 79.5 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116 | 159.8 | -67.4 | -173 | 172 | 0 | 0 | 108.2 | R279 K280 L329 A330 | R279-E358 WeakPolarHBondContact O-CA 3.38Å; K280-E358 VanDerWaalsContact CE-OE1 3.25Å; K280-E358 WeakPolarHBondContact CE-OE1 3.34Å; K280-E358 HydrophobicContact CG-CG 4Å; K280-E358 IonicContact NZ-OE1 3.73Å; K280-E358 PolarHBondContact NZ-OE1 3.46Å; L329-E358 WeakPolarHBondContact CA-O 3.29Å; L329-E358 HydrophobicContact CB-CB 4.37Å; L329-E358 WeakPolarHBondContact CB-O 3.4Å; L329-E358 PolarHBondContact N-O 3.26Å; A330-E358 HydrophobicContact CB-CB 4.16Å; A330-E358 PolarHBondContact N-O 2.92Å; A330-E358 PolarHBondContact O-N 2.96Å |
| 359 | V | 93.3 | Very high | 77.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.5 | -175.8 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | I278 R279 V281 L322 D326 A327 I328 F357 | I278-V359 CarbonylContact C-O 3.53Å; I278-V359 WeakPolarHBondContact CA-O 3.43Å; R279-V359 HydrophobicContact CB-CG2 4.12Å; R279-V359 PolarHBondContact N-O 3Å; R279-V359 PolarHBondContact O-N 3.17Å; V281-V359 HydrophobicContact CG2-CG2 4.04Å; L322-V359 HydrophobicContact CD2-CG1 3.84Å; L322-V359 HydrophobicContact CD2-CG2 4.42Å; D326-V359 HydrophobicContact CB-CB 4.09Å; D326-V359 HydrophobicContact CB-CG1 4.42Å; D326-V359 HydrophobicContact CB-CG2 4.46Å; A327-V359 CarbonylContact O-C 3.52Å; A327-V359 VanDerWaalsContact O-CA 3.22Å; A327-V359 WeakPolarHBondContact O-CA 3.34Å; I328-V359 HydrophobicContact CG1-CG1 4.32Å; F357-V359 HydrophobicContact CB-CG1 4.03Å |
| 360 | V | 88.4 | Confident | 74.8 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 168.4 | 66.5 | 0 | 0 | 0 | 0 | 109.5 | V275 G276 D326 A327 L329 V362 | V275-V360 HydrophobicContact CG1-CG1 4.34Å; V275-V360 HydrophobicContact CG1-CG2 3.41Å; V275-V360 VanDerWaalsContact CG1-CG2 3.41Å; G276-V360 WeakPolarHBondContact O-CG2 3.11Å; D326-V360 CarbonylContact C-O 3.54Å; D326-V360 WeakPolarHBondContact CA-O 3.44Å; A327-V360 HydrophobicContact CB-CG1 3.85Å; A327-V360 PolarHBondContact N-O 3.26Å; A327-V360 PolarHBondContact O-N 3.38Å; L329-V360 HydrophobicContact CD1-CB 4.25Å; L329-V360 HydrophobicContact CD1-CG1 4.18Å; L329-V360 HydrophobicContact CD2-CG1 4.03Å; L329-V360 HydrophobicContact CG-CG1 4.24Å; V360-V362 HydrophobicContact CG1-CG2 4.46Å; V360-V362 PolarHBondContact O-N 2.81Å |
| 361 | Y | 83.7 | Confident | 72.5 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 9% | 0.09 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.3 | 178.9 | -173.9 | -101.9 | 0 | 0 | 0 | 109.6 | P261 H264 G276 H323 V324 D326 A363 | P261-Y361 HydrophobicContact CG-CD2 3.84Å; P261-Y361 HydrophobicContact CG-CE2 4.47Å; P261-Y361 HydrophobicContact CG-CG 4.03Å; H264-Y361 AromaticContact CD2-CD1 3.62Å; H264-Y361 AromaticContact CD2-CG 3.9Å; H264-Y361 WeakPolarHBondContact NE2-CB 3.49Å; G276-Y361 PolarHBondContact N-O 2.95Å; H323-Y361 HydrophobicContact CB-CD2 4.34Å; H323-Y361 HydrophobicContact CB-CE2 4.34Å; V324-Y361 WeakPolarHBondContact O-CE2 3.38Å; D326-Y361 VanDerWaalsContact OD1-CA 3.27Å; D326-Y361 WeakPolarHBondContact OD1-CA 3.43Å; D326-Y361 WeakPolarHBondContact OD1-CB 3.42Å; D326-Y361 PolarHBondContact OD1-N 3.42Å; Y361-A363 HydrophobicContact CE1-CB 4.12Å |
| 362 | V | 78.5 | Confident | 70.3 | Confident | 49 Ų | 49 | 74 Ų | 74 | 30% | 0.297 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105.4 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | L306 G325 A327 V360 | L306-V362 HydrophobicContact CD2-CB 4.3Å; L306-V362 HydrophobicContact CD2-CG2 4.2Å; G325-V362 PolarHBondContact O-N 3.41Å; A327-V362 HydrophobicContact CB-CG2 3.82Å; V360-V362 HydrophobicContact CG1-CG2 4.46Å; V360-V362 PolarHBondContact O-N 2.81Å |
| 363 | A | 65.3 | Low | 68.1 | Low | 19 Ų | 19 | 70.8 Ų | 70.8 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | trans | -62.1 | 136.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L269 G274 Y361 E365 | L269-A363 HydrophobicContact CD1-CB 3.98Å; L269-A363 HydrophobicContact CD2-CB 4.01Å; L269-A363 HydrophobicContact CG-CB 4.45Å; G274-A363 WeakPolarHBondContact O-CB 3.4Å; G274-A363 PolarHBondContact O-N 3.45Å; Y361-A363 HydrophobicContact CE1-CB 4.12Å; A363-E365 PolarHBondContact O-N 2.92Å | ||
| 364 | P | 56.4 | Low | 65.8 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | trans | -55.5 | 133.9 | 166.4 | -15.7 | 27.9 | 0 | 0 | 0 | 108.2 | V366 | P364-V366 PolarHBondContact O-N 3.25Š| ||
| 365 | E | 49.4 | Very low | 63.5 | Low | 170 Ų | 170 | 73.3 Ų | 73.3 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | trans | -60.4 | 108.8 | 167.8 | -65.4 | -165.4 | -169.4 | 0 | 0 | 107.1 | A363 D367 | A363-E365 PolarHBondContact O-N 2.92Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 2.95Å; E365-D367 VanDerWaalsContact O-N 3.1Å | ||
| 366 | V | 47.1 | Very low | 60.9 | Low | 126 Ų | 126 | 78.7 Ų | 78.7 | 76% | 0.764 | 42% | 0.415 | S | S | * | . | trans | -70.9 | 95.5 | 160.5 | -98.9 | 0 | 0 | 0 | 0 | 104.6 | P364 S368 | P364-V366 PolarHBondContact O-N 3.25Å; V366-S368 PolarHBondContact O-N 3.26Å | ||
| 367 | D | 38.4 | Very low | 58.8 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -51 | 127.1 | 165.9 | -72.6 | -37.5 | 0 | 0 | 0 | 106.8 | R246 E365 D369 D370 | R246-D367 IonicContact NH1-OD2 3.99Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 2.95Å; E365-D367 VanDerWaalsContact O-N 3.1Å; D367-D369 PolarHBondContact O-N 2.95Å; D367-D370 PolarHBondContact O-N 3.3Å; D367-D370 VanDerWaalsContact O-N 3.14Å | ||
| 368 | S | 39.5 | Very low | 56.3 | Low | 113 Ų | 113 | 88.5 Ų | 88.5 | 79% | 0.79 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -6.4 | 178 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | V366 | V366-S368 PolarHBondContact O-N 3.26Š|
| 369 | D | 43.6 | Very low | 54 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 73% | 0.733 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5.8 | -174.8 | -59.1 | 0.9 | 0 | 0 | 0 | 112 | D367 E371 | D367-D369 PolarHBondContact O-N 2.95Å; D369-E371 PolarHBondContact O-N 3.36Å |
| 370 | D | 43.3 | Very low | 51.8 | Low | 90 Ų | 90 | 92 Ų | 92 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | trans | -70 | 62.1 | 163.7 | -95.9 | -9.4 | 0 | 0 | 0 | 109.8 | R246 D367 N372 | R246-D370 IonicContact NH2-OD1 3.33Å; R246-D370 PolarHBondContact NH2-OD1 3.35Å; R246-D370 IonicContact NH2-OD2 2.85Å; R246-D370 PolarHBondContact NH2-OD2 3.16Å; D367-D370 PolarHBondContact O-N 3.3Å; D367-D370 VanDerWaalsContact O-N 3.14Å; D370-N372 PolarHBondContact O-N 3.45Å | ||
| 371 | E | 43.4 | Very low | 49.6 | Very low | 153 Ų | 153 | 96.7 Ų | 96.7 | 72% | 0.715 | 52% | 0.522 | S | S | * | . | trans | -71.3 | 54.8 | 154.6 | -71.8 | -164.5 | 171.5 | 0 | 0 | 109.3 | D369 V373 | D369-E371 PolarHBondContact O-N 3.36Å; E371-V373 PolarHBondContact O-N 3.33Å | ||
| 372 | N | 45.5 | Very low | 47.6 | Very low | 54 Ų | 54 | 99.9 Ų | 99.9 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | trans | -80.5 | 70.7 | 168.6 | -151.3 | 60.1 | 0 | 0 | 0 | 107.4 | D370 E374 R384 | D370-N372 PolarHBondContact O-N 3.45Å; N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact ND2-OE1 3.48Å; N372-E374 PolarHBondContact O-N 3.13Å; N372-R384 PolarHBondContact ND2-NH2 3.18Å; N372-R384 VanDerWaalsContact ND2-NH2 3.14Å; N372-R384 PolarHBondContact OD1-NE 3.02Å; N372-R384 PolarHBondContact OD1-NH2 3.3Å | ||
| 373 | V | 43.9 | Very low | 46 | Very low | 65 Ų | 65 | 104.4 Ų | 104.4 | 39% | 0.394 | 55% | 0.551 | S | S | . | * | trans | -71.9 | 93.1 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 107.6 | E371 Y375 | E371-V373 PolarHBondContact O-N 3.33Å; V373-Y375 HydrophobicContact CB-CE2 4Å; V373-Y375 HydrophobicContact CG1-CD2 3.93Å; V373-Y375 HydrophobicContact CG1-CE1 4.32Å; V373-Y375 HydrophobicContact CG1-CE2 3.34Å | ||
| 374 | E | 43.7 | Very low | 45.1 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 38% | 0.379 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.4 | 168.5 | -71 | 176.1 | -177.9 | 0 | 0 | 108.1 | N372 Q382 | N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact ND2-OE1 3.48Å; N372-E374 PolarHBondContact O-N 3.13Å; E374-Q382 PolarHBondContact OE2-NE2 2.68Å |
| 375 | Y | 46 | Very low | 44.3 | Very low | 137 Ų | 137 | 111.4 Ų | 111.4 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.5 | 168.8 | -70 | -91.6 | 0 | 0 | 0 | 108 | V373 Q382 Y383 L385 | V373-Y375 HydrophobicContact CB-CE2 4Å; V373-Y375 HydrophobicContact CG1-CD2 3.93Å; V373-Y375 HydrophobicContact CG1-CE1 4.32Å; V373-Y375 HydrophobicContact CG1-CE2 3.34Å; Y375-Q382 WeakPolarHBondContact O-CA 3.35Å; Y375-Y383 PolarHBondContact N-O 3.36Å; Y375-Y383 PolarHBondContact O-N 2.86Å; Y375-L385 HydrophobicContact CD2-CD1 3.68Å; Y375-L385 HydrophobicContact CE2-CD1 3.43Å; Y375-L385 VanDerWaalsContact CE2-CD1 3.43Å |
| 376 | E | 41 | Very low | 44 | Very low | 112 Ų | 112 | 112 Ų | 112 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.4 | 163.6 | -80.7 | -175.9 | 165.4 | 0 | 0 | 108.2 | H381 Q382 | E376-H381 WeakPolarHBondContact CA-O 3.48Å; E376-Q382 HydrophobicContact CG-CG 3.4Å |
| 377 | D | 50.9 | Low | 43.7 | Very low | 59 Ų | 59 | 112.9 Ų | 112.9 | 32% | 0.316 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 169.7 | 167.4 | 73.8 | 12.1 | 0 | 0 | 0 | 111.7 | S379 G380 H381 | D377-S379 PolarHBondContact O-N 3.42Å; D377-S379 VanDerWaalsContact OD1-C 3.31Å; D377-S379 VanDerWaalsContact OD1-CA 3.3Å; D377-S379 WeakPolarHBondContact OD1-CA 3.45Å; D377-S379 WeakPolarHBondContact OD1-CB 3.02Å; D377-S379 PolarHBondContact OD1-N 3.28Å; D377-S379 PolarHBondContact OD1-OG 2.91Å; D377-S379 PolarHBondContact OD2-OG 3.33Å; D377-S379 VanDerWaalsContact OD2-OG 3.08Å; D377-G380 PolarHBondContact O-N 3.1Å; D377-G380 PolarHBondContact OD1-N 2.86Å; D377-H381 PolarHBondContact N-O 2.74Å; D377-H381 VanDerWaalsContact N-O 3.08Å; D377-H381 PolarHBondContact OD1-N 2.88Å; D377-H381 IonicContact OD1-ND1 3.13Å |
| 378 | E | 45.4 | Very low | 43.8 | Very low | 215 Ų | 215 | 116.4 Ų | 116.4 | 100% | 1.005 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -6.7 | 179 | -69.9 | -173.5 | 155.8 | 0 | 0 | 113.9 | ||
| 379 | S | 48 | Very low | 44.2 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 0.4 | 175.7 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | D377 H381 | D377-S379 PolarHBondContact O-N 3.42Å; D377-S379 VanDerWaalsContact OD1-C 3.31Å; D377-S379 VanDerWaalsContact OD1-CA 3.3Å; D377-S379 WeakPolarHBondContact OD1-CA 3.45Å; D377-S379 WeakPolarHBondContact OD1-CB 3.02Å; D377-S379 PolarHBondContact OD1-N 3.28Å; D377-S379 PolarHBondContact OD1-OG 2.91Å; D377-S379 PolarHBondContact OD2-OG 3.33Å; D377-S379 VanDerWaalsContact OD2-OG 3.08Å; S379-H381 PolarHBondContact OG-ND1 3.12Å |
| 380 | G | 45.7 | Very low | 44.1 | Very low | 51 Ų | 51 | 121.2 Ų | 121.2 | 53% | 0.526 | 59% | 0.593 | S | S | . | * | trans | 82.8 | 16.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D377 | D377-G380 PolarHBondContact O-N 3.1Å; D377-G380 PolarHBondContact OD1-N 2.86Å | ||
| 381 | H | 43.5 | Very low | 43.7 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 51% | 0.514 | 61% | 0.612 | S | S | . | * | trans | -85.9 | 126.3 | 174 | -67.3 | 81.8 | 0 | 0 | 0 | 110.2 | E376 D377 S379 Y383 | E376-H381 WeakPolarHBondContact CA-O 3.48Å; D377-H381 PolarHBondContact N-O 2.74Å; D377-H381 VanDerWaalsContact N-O 3.08Å; D377-H381 PolarHBondContact OD1-N 2.88Å; D377-H381 IonicContact OD1-ND1 3.13Å; S379-H381 PolarHBondContact OG-ND1 3.12Å; H381-Y383 HydrophobicContact CB-CE2 3.93Å | ||
| 382 | Q | 42 | Very low | 43.2 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 43% | 0.425 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.2 | 177.6 | -78.3 | -176.7 | -48.8 | 0 | 0 | 111.1 | E374 Y375 E376 | E374-Q382 PolarHBondContact OE2-NE2 2.68Å; Y375-Q382 WeakPolarHBondContact O-CA 3.35Å; E376-Q382 HydrophobicContact CG-CG 3.4Å |
| 383 | Y | 44.2 | Very low | 42.5 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.3 | 175.2 | -62.3 | -88.9 | 0 | 0 | 0 | 111.4 | Y375 H381 | Y375-Y383 PolarHBondContact N-O 3.36Å; Y375-Y383 PolarHBondContact O-N 2.86Å; H381-Y383 HydrophobicContact CB-CE2 3.93Å |
| 384 | R | 45.4 | Very low | 41.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.8 | 169.4 | -160.1 | 179 | -151.2 | 121.6 | 2.7 | 108.3 | N372 Y386 | N372-R384 PolarHBondContact ND2-NH2 3.18Å; N372-R384 VanDerWaalsContact ND2-NH2 3.14Å; N372-R384 PolarHBondContact OD1-NE 3.02Å; N372-R384 PolarHBondContact OD1-NH2 3.3Å; R384-Y386 PolarHBondContact O-N 3.23Å |
| 385 | L | 40.8 | Very low | 41.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 56% | 0.555 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -56.2 | -8.5 | -167.4 | -143.2 | 73.6 | 0 | 0 | 0 | 117.1 | Y375 | Y375-L385 HydrophobicContact CD2-CD1 3.68Å; Y375-L385 HydrophobicContact CE2-CD1 3.43Å; Y375-L385 VanDerWaalsContact CE2-CD1 3.43Å |
| 386 | Y | 41.8 | Very low | 40.6 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 71% | 0.71 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -106.9 | 36.9 | -174.8 | -61.1 | -71.5 | 0 | 0 | 0 | 113.9 | R384 | R384-Y386 PolarHBondContact O-N 3.23Š|
| 387 | L | 41.3 | Very low | 40.2 | Very low | 146 Ų | 146 | 134 Ų | 134 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -151.8 | 63.1 | 167.2 | -135.2 | 85.6 | 0 | 0 | 0 | 109.9 | ||||
| 388 | D | 41.8 | Very low | 39.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | -93.8 | 145.7 | 157.7 | -147.9 | 2.5 | 0 | 0 | 0 | 107.8 | ||||
| 389 | E | 46.3 | Very low | 39 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 87.8 | 64.3 | -169.2 | -52.8 | -175.3 | 178.5 | 0 | 0 | 116.5 | ||||
| 390 | L | 41.5 | Very low | 38 | Very low | 174 Ų | 174 | 133 Ų | 133 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -149.4 | 61.6 | 135.1 | -78.4 | -172.2 | 0 | 0 | 0 | 110.9 | ||||
| 391 | E | 35.3 | Very low | 37.1 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -129.1 | 109.7 | 150.6 | -82.8 | -166.7 | 166.7 | 0 | 0 | 109.5 | ||||
| 392 | D | 33.5 | Very low | 36.4 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -159.1 | 144 | 134 | -119.1 | -21.7 | 0 | 0 | 0 | 112.8 | ||||
| 393 | S | 30.9 | Very low | 35.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 84.3 | 84.4 | 177.2 | 76.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 394 | S | 31 | Very low | 34.8 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -169.9 | 116.4 | 104.4 | 39.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 395 | T | 33.6 | Very low | 33.8 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -58.4 | 140.1 | 174.5 | 45.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 396 | T | 29.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -144.5 | 107.7 | 133.2 | 40.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 397 | A | 32.5 | Very low | 32.4 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 151.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 398 | P | 33.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 162 | 167.8 | 34.4 | -30.4 | 0 | 0 | 0 | 112.2 | ||
| 399 | P | 37.4 | Very low | 30.9 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 145.8 | -173.4 | 35.7 | -31.1 | 0 | 0 | 0 | 112.6 | ||
| 400 | G | 26.3 | Very low | 29.9 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -174.2 | 82.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 401 | N | 28 | Very low | 29.3 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 24.3 | 121.2 | 149.2 | -79.1 | -7.7 | 0 | 0 | 0 | 122.4 | ||||
| 402 | S | 27 | Very low | 29 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 86.2 | 124.7 | 124.2 | 69.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 403 | S | 26.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 90 | 99.6 | 146.3 | 73.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 404 | A | 26.3 | Very low | 28.7 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 51.3 | 113.5 | 121.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 405 | S | 26.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | 165.9 | 140.8 | 92.1 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 406 | L | 25.9 | Very low | 28.3 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 158.3 | 166.7 | -78.2 | 164 | 0 | 0 | 0 | 112.4 | ||||
| 407 | Q | 25.6 | Very low | 28.1 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 94.1 | 122.2 | 145.7 | -80.6 | 165.9 | 9.1 | 0 | 0 | 120.9 | ||||
| 408 | A | 25.1 | Very low | 28.5 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | 89.4 | 112.5 | 127.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 409 | L | 27.5 | Very low | 28.4 | Very low | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | 177.3 | 107.4 | 112.1 | -113.7 | 80.1 | 0 | 0 | 0 | 105.9 | |||||
| 410 | E | 26.1 | Very low | 28 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 65.2 | 133.7 | 67 | -146.9 | -168.6 | -137.5 | 0 | 0 | 114.3 | |||||
| 411 | K | 28.7 | Very low | 28.2 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | trans | 97.4 | 126.2 | 165.8 | -67.3 | 177.1 | -176.1 | -177.9 | 0 | 115 | ||||
| 412 | M | 28.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | cis | -164.8 | 156.6 | 19.7 | -105.9 | 174.1 | -160 | 0 | 0 | 104.9 | ||||
| 413 | T | 27.7 | Very low | 28.9 | Very low | 103 Ų | 103 | 128 Ų | 128 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | cis | -173.9 | 137.5 | 16.7 | 9.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 414 | L | 29.7 | Very low | 29 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | 45.5 | 135.9 | 127 | -54.2 | 170 | 0 | 0 | 0 | 118.3 | |||||
| 415 | N | 27.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | cis | -175.7 | 151.3 | 29.7 | -129.2 | 1.9 | 0 | 0 | 0 | 110.9 | ||||
| 416 | N | 29 | Very low | 29.8 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 58 | 113.3 | 148.9 | -55.8 | -15.1 | 0 | 0 | 0 | 118.3 | ||||
| 417 | G | 26.6 | Very low | 29.9 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | 80.7 | 148.8 | 36.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 418 | P | 40.6 | Very low | 30 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | cis | -145.9 | -169.7 | -20.6 | 43.3 | -23.9 | 0 | 0 | 0 | 114.2 | ||||
| 419 | E | 30.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 73 | 142.3 | 152.2 | -71.7 | -175.7 | 132 | 0 | 0 | 118.6 | ||||
| 420 | N | 30.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | cis | -169.2 | 161.4 | 2.4 | -123.3 | -28.1 | 0 | 0 | 0 | 107.3 | ||||
| 421 | G | 28.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 100.3 | 82.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 422 | N | 27.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -52.4 | -177.1 | 147.4 | -145.5 | 18 | 0 | 0 | 0 | 111.9 | ||||
| 423 | P | 43.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -122.3 | 173.2 | -48.2 | 21.6 | -0.4 | 0 | 0 | 0 | 111.5 | ||||
| 424 | G | 27 | Very low | 31.8 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 171 | 71.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 425 | I | 30.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -65.7 | 146.5 | 151.7 | -64.8 | 173.3 | 0 | 0 | 0 | 106.3 | ||||
| 426 | P | 39.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -150.2 | 162.3 | 52.2 | 23.9 | 3.7 | 0 | 0 | 0 | 120.3 | |||||
| 427 | S | 26.9 | Very low | 33.2 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 85.3 | 115.9 | 132.9 | -75.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 428 | Q | 28.1 | Very low | 34 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | 67 | 110 | 123.1 | -70.3 | -171.2 | -4.8 | 0 | 0 | 118.8 | |||||
| 429 | K | 29.6 | Very low | 33.8 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 170.6 | 123 | 98.7 | -101.9 | 165.1 | -177.1 | 179 | 0 | 110.6 | |||||
| 430 | N | 30 | Very low | 34.1 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -63.3 | 149.9 | 145.5 | -96.8 | -4.4 | 0 | 0 | 0 | 108.2 | ||||
| 431 | P | 43.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | -140.8 | 156.7 | 92.9 | 26.6 | -6.3 | 0 | 0 | 0 | 115.5 | |||||
| 432 | Q | 31.8 | Very low | 34.9 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -14.4 | 140.3 | 156 | -70.1 | 166.1 | -47.6 | 0 | 0 | 117 | ||||
| 433 | E | 30.5 | Very low | 35.5 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | -170.2 | 117 | 119.7 | -105.6 | 173 | -179.5 | 0 | 0 | 111.3 | |||||
| 434 | T | 36.4 | Very low | 36 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -68.4 | 153.2 | 147.3 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 435 | P | 43.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | -142.9 | -172.7 | 58.3 | 35.7 | -12.1 | 0 | 0 | 0 | 110.6 | |||||
| 436 | S | 32.6 | Very low | 37.4 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | cis | -178.5 | 148.6 | 36.2 | 11.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 437 | K | 39.5 | Very low | 37.3 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -60.2 | 164.4 | 160.8 | -82.8 | 177.3 | 170.4 | 179.7 | 0 | 111.4 | ||||
| 438 | P | 43 | Very low | 37.8 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | -124.8 | 154.2 | 123.2 | 34.5 | -26.1 | 0 | 0 | 0 | 112.7 | |||||
| 439 | S | 36.8 | Very low | 38.4 | Very low | 92 Ų | 92 | 149.5 Ų | 149.5 | 64% | 0.643 | 83% | 0.826 | S | S | * | * | trans | -92.2 | 178.9 | 170.5 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 440 | D | 35.5 | Very low | 39 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | 93.8 | 134.5 | 163.9 | -50.9 | -7.6 | 0 | 0 | 0 | 112.9 | ||||
| 441 | T | 37.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 77% | 0.767 | 83% | 0.825 | S | S | * | * | cis | -163 | 163 | 15.3 | -6.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 442 | D | 38.9 | Very low | 39.3 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -38.3 | 151.3 | 169.2 | -64 | -59 | 0 | 0 | 0 | 117.1 | ||||
| 443 | Y | 41.6 | Very low | 39.9 | Very low | 240 Ų | 240 | 146.1 Ų | 146.1 | 94% | 0.941 | 83% | 0.829 | S | S | * | * | -153.2 | 123.7 | 127.1 | -114.5 | -80.6 | 0 | 0 | 0 | 110.7 | |||||
| 444 | S | 53.3 | Low | 40.7 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | trans | -75.4 | 146.3 | 171.4 | -48 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 445 | S | 49.3 | Very low | 41 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 100% | 1.392 | 83% | 0.827 | S | S | * | * | -163.9 | 0 | 125.9 | -75.3 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 445 of 445 residues in 76.2 ms
(Link to these results)