| 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 | 44.9 | Very low | 50.4 | Low | 242 Ų | 242 | 128.7 Ų | 128.7 | 100% | 1.192 | 68% | 0.679 | S | S | * | * | 0 | 85.5 | 0 | -157.9 | 163.8 | 84.8 | 0 | 0 | 106.1 | |||||
| 2 | F | 42 | Very low | 50.2 | Low | 209 Ų | 209 | 128.3 Ų | 128.3 | 92% | 0.917 | 68% | 0.676 | S | S | * | * | trans | -80.8 | 132 | -174.3 | -88.7 | -91.9 | 0 | 0 | 0 | 109.4 | V4 | F2-V4 PolarHBondContact O-N 3.03Š| ||
| 3 | D | 44.7 | Very low | 49.9 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 57% | 0.572 | 66% | 0.663 | S | S | * | * | trans | -76.6 | 102.1 | -162.4 | -145.5 | -29.9 | 0 | 0 | 0 | 111.5 | K5 W6 | D3-K5 PolarHBondContact O-N 2.93Å; D3-W6 PolarHBondContact O-N 2.86Å | ||
| 4 | V | 54.6 | Low | 49.3 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -57.7 | -16.8 | 179 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | F2 W6 A8 | F2-V4 PolarHBondContact O-N 3.03Å; V4-W6 PolarHBondContact O-N 3.25Å; V4-A8 PolarHBondContact O-N 3.2Å |
| 5 | K | 52.6 | Low | 48.7 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.4 | -29 | 179 | -67 | -178.7 | 176.5 | -179.6 | 0 | 113.9 | D3 A9 | D3-K5 PolarHBondContact O-N 2.93Å; K5-A9 PolarHBondContact O-N 3.27Å |
| 6 | W | 51.8 | Low | 48.3 | Very low | 194 Ų | 194 | 118.4 Ų | 118.4 | 74% | 0.735 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75 | -35.1 | 179.8 | -97.2 | 92.3 | 0 | 0 | 0 | 113.2 | D3 V4 A9 C10 | D3-W6 PolarHBondContact O-N 2.86Å; V4-W6 PolarHBondContact O-N 3.25Å; W6-A9 PolarHBondContact O-N 3.24Å; W6-C10 PolarHBondContact O-N 3.38Å |
| 7 | L | 53.5 | Low | 47.9 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.1 | -34.9 | 177.1 | -84.6 | 156.4 | 0 | 0 | 0 | 112.3 | C10 A11 | L7-C10 PolarHBondContact O-N 3.29Å; L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 3.29Å |
| 8 | A | 55.3 | Low | 47.6 | Very low | 52 Ų | 52 | 118.4 Ų | 118.4 | 43% | 0.43 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.7 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V4 A11 L12 | V4-A8 PolarHBondContact O-N 3.2Å; A8-A11 PolarHBondContact O-N 3.23Å; A8-L12 PolarHBondContact O-N 3.41Å |
| 9 | A | 54.3 | Low | 47 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 48% | 0.479 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -68.2 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K5 W6 A13 | K5-A9 PolarHBondContact O-N 3.27Å; W6-A9 PolarHBondContact O-N 3.24Å; A9-A13 WeakPolarHBondContact O-CB 3.38Å; A9-A13 PolarHBondContact O-N 2.87Å |
| 10 | C | 48 | Very low | 46.4 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 46% | 0.459 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.1 | -37.5 | 173.4 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | W6 L7 A13 L14 | W6-C10 PolarHBondContact O-N 3.38Å; L7-C10 PolarHBondContact O-N 3.29Å; C10-A13 PolarHBondContact O-N 2.9Å; C10-L14 WeakPolarHBondContact O-CB 3.19Å; C10-L14 PolarHBondContact O-N 3.38Å |
| 11 | A | 52.5 | Low | 45.9 | Very low | 61 Ų | 61 | 119 Ų | 119 | 50% | 0.504 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L7 A8 L14 S15 | L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 3.29Å; A8-A11 PolarHBondContact O-N 3.23Å; A11-L14 PolarHBondContact O-N 3.31Å; A11-S15 PolarHBondContact O-N 3.41Å; A11-S15 VanDerWaalsContact O-N 3.17Å; A11-S15 PolarHBondContact O-OG 3.4Å |
| 12 | L | 48.2 | Very low | 45.7 | Very low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73 | -33.7 | 176 | -76.1 | 166.9 | 0 | 0 | 0 | 112.8 | A8 S15 A16 | A8-L12 PolarHBondContact O-N 3.41Å; L12-S15 WeakPolarHBondContact CA-OG 3.45Å; L12-S15 PolarHBondContact O-N 3Å; L12-S15 PolarHBondContact O-OG 3.23Å; L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 2.78Å |
| 13 | A | 46.3 | Very low | 45.7 | Very low | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.4 | -32.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A9 C10 | A9-A13 WeakPolarHBondContact O-CB 3.38Å; A9-A13 PolarHBondContact O-N 2.87Å; C10-A13 PolarHBondContact O-N 2.9Å |
| 14 | L | 41.3 | Very low | 45.7 | Very low | 145 Ų | 145 | 111.3 Ų | 111.3 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74 | -25.6 | 173.2 | -88.2 | 150.9 | 0 | 0 | 0 | 113.2 | C10 A11 | C10-L14 WeakPolarHBondContact O-CB 3.19Å; C10-L14 PolarHBondContact O-N 3.38Å; A11-L14 PolarHBondContact O-N 3.31Å |
| 15 | S | 40.4 | Very low | 45.1 | Very low | 71 Ų | 71 | 107.4 Ų | 107.4 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -84.8 | -10.5 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | A11 L12 | A11-S15 PolarHBondContact O-N 3.41Å; A11-S15 VanDerWaalsContact O-N 3.17Å; A11-S15 PolarHBondContact O-OG 3.4Å; L12-S15 WeakPolarHBondContact CA-OG 3.45Å; L12-S15 PolarHBondContact O-N 3Å; L12-S15 PolarHBondContact O-OG 3.23Å |
| 16 | A | 41.7 | Very low | 45 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99.3 | 3.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L12 | L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 2.78Å |
| 17 | V | 43.1 | Very low | 45.2 | Very low | 125 Ų | 125 | 107 Ų | 107 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -105.6 | 10.3 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 18 | T | 42.4 | Very low | 45.5 | Very low | 112 Ų | 112 | 102.3 Ų | 102.3 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | trans | -127.7 | 58.3 | 173.1 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 19 | H | 35.2 | Very low | 46.2 | Very low | 179 Ų | 179 | 105.1 Ų | 105.1 | 83% | 0.829 | 64% | 0.637 | S | S | * | * | trans | -123.5 | 63.9 | 148.8 | -89.7 | -60.4 | 0 | 0 | 0 | 108 | V21 | H19-V21 PolarHBondContact O-N 2.96Š| ||
| 20 | G | 34.4 | Very low | 47.3 | Very low | 66 Ų | 66 | 107.6 Ų | 107.6 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | trans | -57.4 | 117 | 143.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | E22 | G20-E22 PolarHBondContact O-N 3.42Š| ||
| 21 | V | 37.3 | Very low | 48.8 | Very low | 122 Ų | 122 | 111 Ų | 111 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | trans | -59.6 | 95.1 | 167.6 | 178.2 | 0 | 0 | 0 | 0 | 105.2 | H19 V23 | H19-V21 PolarHBondContact O-N 2.96Å; V21-V23 HydrophobicContact CG1-CG2 3.67Å; V21-V23 PolarHBondContact O-N 3.27Å | ||
| 22 | E | 39.7 | Very low | 50.1 | Low | 179 Ų | 179 | 109.7 Ų | 109.7 | 84% | 0.836 | 63% | 0.63 | S | S | * | * | trans | -60.8 | 92 | 155.1 | -88.1 | -172.7 | 149.6 | 0 | 0 | 105 | G20 A24 | G20-E22 PolarHBondContact O-N 3.42Å; E22-A24 PolarHBondContact O-N 3.23Å | ||
| 23 | V | 43.1 | Very low | 51.7 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 76% | 0.758 | 62% | 0.62 | S | S | * | * | trans | -66.5 | 75.9 | 150.7 | -176.5 | 0 | 0 | 0 | 0 | 105 | V21 G25 | V21-V23 HydrophobicContact CG1-CG2 3.67Å; V21-V23 PolarHBondContact O-N 3.27Å; V23-G25 PolarHBondContact O-N 2.96Å | ||
| 24 | A | 43.9 | Very low | 53.4 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 78% | 0.777 | 62% | 0.62 | S | S | * | * | trans | -68.1 | 70 | 159 | 0 | 0 | 0 | 0 | 0 | 106.9 | E22 | E22-A24 PolarHBondContact O-N 3.23Š| ||
| 25 | G | 42.5 | Very low | 55.4 | Low | 37 Ų | 37 | 105.8 Ų | 105.8 | 38% | 0.381 | 60% | 0.599 | S | S | . | * | trans | -106.8 | 106.8 | 170 | 0 | 0 | 0 | 0 | 0 | 107.2 | V23 N27 G28 | V23-G25 PolarHBondContact O-N 2.96Å; G25-N27 PolarHBondContact O-N 2.9Å; G25-G28 PolarHBondContact O-N 3.46Å | ||
| 26 | R | 50.8 | Low | 57.4 | Low | 235 Ų | 235 | 102.7 Ų | 102.7 | 89% | 0.887 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -42.3 | -11.4 | 172.9 | -87.3 | 171.1 | 157.2 | 165.5 | -7.8 | 116 | ||
| 27 | N | 56.2 | Low | 59.4 | Low | 117 Ų | 117 | 106.7 Ų | 106.7 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -87.5 | -26.7 | -174.6 | -61.8 | 5.1 | 0 | 0 | 0 | 114.3 | G25 F31 | G25-N27 PolarHBondContact O-N 2.9Å; N27-F31 WeakPolarHBondContact O-CD2 3.45Å; N27-F31 VanDerWaalsContact O-CE2 3.23Å; N27-F31 WeakPolarHBondContact O-CE2 3.18Å |
| 28 | G | 60.1 | Low | 61.2 | Low | 40 Ų | 40 | 108.2 Ų | 108.2 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.5 | -37.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G25 E30 F31 L32 | G25-G28 PolarHBondContact O-N 3.46Å; G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 3.01Å; G28-F31 PolarHBondContact O-N 3.24Å; G28-L32 WeakPolarHBondContact O-CD1 3.4Å |
| 29 | Q | 68.2 | Low | 63 | Low | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -32.1 | -178.4 | -161.4 | 177.3 | -39.8 | 0 | 0 | 112.2 | F31 L32 E33 V96 | Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 2.95Å; Q29-L32 PolarHBondContact O-N 3.07Å; Q29-L32 VanDerWaalsContact O-N 3.15Å; Q29-E33 HydrophobicContact CG-CG 4.43Å; Q29-E33 PolarHBondContact NE2-OE1 2.63Å; Q29-E33 WeakPolarHBondContact O-CB 3.23Å; Q29-E33 WeakPolarHBondContact O-CG 3.43Å; Q29-E33 PolarHBondContact O-N 2.97Å; Q29-V96 HydrophobicContact CG-CG1 3.72Å |
| 30 | E | 78 | Confident | 65.1 | Low | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 177.3 | -169.7 | 177.9 | 178.7 | 0 | 0 | 112.1 | G28 L32 E33 N34 | G28-E30 VanDerWaalsContact C-N 3.29Å; G28-E30 PolarHBondContact O-N 3.01Å; E30-L32 PolarHBondContact O-N 2.92Å; E30-E33 PolarHBondContact O-N 2.88Å; E30-N34 WeakPolarHBondContact O-CB 3.15Å; E30-N34 PolarHBondContact O-N 3.32Å; E30-N34 PolarHBondContact O-ND2 3.41Å |
| 31 | F | 79.4 | Confident | 67.2 | Low | 140 Ų | 140 | 100.7 Ų | 100.7 | 61% | 0.614 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 175.7 | -67.6 | -80.4 | 0 | 0 | 0 | 112.2 | N27 G28 Q29 N34 I35 | N27-F31 WeakPolarHBondContact O-CD2 3.45Å; N27-F31 VanDerWaalsContact O-CE2 3.23Å; N27-F31 WeakPolarHBondContact O-CE2 3.18Å; G28-F31 PolarHBondContact O-N 3.24Å; Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 2.95Å; F31-N34 PolarHBondContact O-N 2.88Å; F31-I35 WeakPolarHBondContact O-CG1 3.45Å; F31-I35 PolarHBondContact O-N 3.48Å; F31-I35 VanDerWaalsContact O-N 3.13Å |
| 32 | L | 81 | Confident | 68.9 | Low | 33 Ų | 33 | 102.4 Ų | 102.4 | 17% | 0.173 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 179.4 | -76.4 | 75.7 | 0 | 0 | 0 | 111.3 | G28 Q29 E30 N34 I35 L36 V96 L99 G100 | G28-L32 WeakPolarHBondContact O-CD1 3.4Å; Q29-L32 PolarHBondContact O-N 3.07Å; Q29-L32 VanDerWaalsContact O-N 3.15Å; E30-L32 PolarHBondContact O-N 2.92Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-I35 PolarHBondContact O-N 2.94Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.34Å; L32-V96 HydrophobicContact CB-CG1 3.88Å; L32-V96 HydrophobicContact CD2-CG1 4.22Å; L32-V96 WeakPolarHBondContact CD2-O 3.43Å; L32-L99 HydrophobicContact CB-CD2 4.3Å; L32-L99 HydrophobicContact CD2-CB 4.26Å; L32-L99 HydrophobicContact CD2-CG 4.45Å; L32-L99 HydrophobicContact CG-CD2 4.37Å; L32-G100 VanDerWaalsContact CD2-CA 3.42Å; L32-G100 VanDerWaalsContact CD2-N 3.31Å |
| 33 | E | 81.8 | Confident | 70.7 | Confident | 92 Ų | 92 | 102.3 Ų | 102.3 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 172.9 | -74.9 | 179.7 | -171 | 0 | 0 | 111.4 | Q29 E30 L36 H37 V96 | Q29-E33 HydrophobicContact CG-CG 4.43Å; Q29-E33 PolarHBondContact NE2-OE1 2.63Å; Q29-E33 WeakPolarHBondContact O-CB 3.23Å; Q29-E33 WeakPolarHBondContact O-CG 3.43Å; Q29-E33 PolarHBondContact O-N 2.97Å; E30-E33 PolarHBondContact O-N 2.88Å; E33-L36 PolarHBondContact O-N 2.95Å; E33-H37 WeakPolarHBondContact O-CB 3.3Å; E33-H37 PolarHBondContact O-N 3.48Å; E33-V96 HydrophobicContact CG-CG2 3.91Å |
| 34 | N | 81.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 173.8 | -72.5 | -24.6 | 0 | 0 | 0 | 112.3 | E30 F31 L32 H37 F38 | E30-N34 WeakPolarHBondContact O-CB 3.15Å; E30-N34 PolarHBondContact O-N 3.32Å; E30-N34 PolarHBondContact O-ND2 3.41Å; F31-N34 PolarHBondContact O-N 2.88Å; L32-N34 VanDerWaalsContact C-N 3.32Å; N34-H37 PolarHBondContact O-N 3.46Å; N34-F38 PolarHBondContact O-N 3.46Å; N34-F38 VanDerWaalsContact O-N 3.13Å |
| 35 | I | 81.8 | Confident | 74.6 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.3 | -67 | 165.4 | 0 | 0 | 0 | 110.2 | F31 L32 H37 F38 Y39 M53 L99 | F31-I35 WeakPolarHBondContact O-CG1 3.45Å; F31-I35 PolarHBondContact O-N 3.48Å; F31-I35 VanDerWaalsContact O-N 3.13Å; L32-I35 PolarHBondContact O-N 2.94Å; I35-H37 VanDerWaalsContact C-N 3.31Å; I35-H37 PolarHBondContact O-N 3.36Å; I35-F38 PolarHBondContact O-N 3.44Å; I35-Y39 HydrophobicContact CG2-CD2 4.1Å; I35-Y39 PolarHBondContact O-N 2.83Å; I35-M53 HydrophobicContact CG2-SD 3.56Å; I35-M53 VanDerWaalsContact CG2-SD 3.56Å; I35-L99 HydrophobicContact CB-CD2 4.02Å; I35-L99 HydrophobicContact CD1-CD2 4.44Å; I35-L99 HydrophobicContact CG2-CD2 3.75Å |
| 36 | L | 83.3 | Confident | 76.6 | Confident | 6 Ų | 6 | 93.1 Ų | 93.1 | 3% | 0.031 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.2 | -27.3 | 177.7 | -68 | 173.6 | 0 | 0 | 0 | 113.2 | L32 E33 F38 G40 I45 V96 L99 | L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.34Å; E33-L36 PolarHBondContact O-N 2.95Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-G40 CarbonylContact O-C 3.51Å; L36-G40 WeakPolarHBondContact O-CA 3.33Å; L36-G40 PolarHBondContact O-N 3.43Å; L36-I45 HydrophobicContact CD2-CB 3.69Å; L36-I45 HydrophobicContact CD2-CG2 3.65Å; L36-V96 HydrophobicContact CD1-CB 4.13Å; L36-V96 HydrophobicContact CD1-CG2 3.38Å; L36-L99 HydrophobicContact CD2-CD2 4.28Å; L36-L99 HydrophobicContact CG-CD2 4.15Å |
| 37 | H | 82.8 | Confident | 78.1 | Confident | 163 Ų | 163 | 84.3 Ų | 84.3 | 76% | 0.755 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.7 | -32.6 | 173.3 | -174.8 | -77.5 | 0 | 0 | 0 | 111.9 | E33 N34 I35 | E33-H37 WeakPolarHBondContact O-CB 3.3Å; E33-H37 PolarHBondContact O-N 3.48Å; N34-H37 PolarHBondContact O-N 3.46Å; I35-H37 VanDerWaalsContact C-N 3.31Å; I35-H37 PolarHBondContact O-N 3.36Å |
| 38 | F | 81 | Confident | 79 | Confident | 156 Ų | 156 | 81.4 Ų | 81.4 | 68% | 0.684 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -88.2 | -43.7 | -179.3 | -169.1 | -87.9 | 0 | 0 | 0 | 112.9 | N34 I35 L36 | N34-F38 PolarHBondContact O-N 3.46Å; N34-F38 VanDerWaalsContact O-N 3.13Å; I35-F38 PolarHBondContact O-N 3.44Å; L36-F38 VanDerWaalsContact C-N 3.33Å |
| 39 | Y | 80.4 | Confident | 80 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -103.4 | -14.5 | -174.2 | -68.8 | -79.8 | 0 | 0 | 0 | 114.1 | I35 K49 M53 L56 | I35-Y39 HydrophobicContact CG2-CD2 4.1Å; I35-Y39 PolarHBondContact O-N 2.83Å; Y39-K49 WeakPolarHBondContact O-CD 3.32Å; Y39-M53 HydrophobicContact CD1-CB 3.91Å; Y39-M53 HydrophobicContact CD1-CG 4.15Å; Y39-M53 HydrophobicContact CD2-CG 3.95Å; Y39-M53 HydrophobicContact CD2-SD 4.13Å; Y39-M53 HydrophobicContact CE1-CB 4.01Å; Y39-M53 HydrophobicContact CE1-CG 4.07Å; Y39-M53 HydrophobicContact CE2-CG 3.86Å; Y39-M53 HydrophobicContact CE2-SD 4.45Å; Y39-M53 HydrophobicContact CG-CB 4.19Å; Y39-M53 HydrophobicContact CG-CG 4.1Å; Y39-M53 HydrophobicContact CG-SD 4.43Å; Y39-L56 HydrophobicContact CE1-CD1 3.84Å |
| 40 | G | 79.9 | Confident | 80.7 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | trans | -102.6 | 174 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L36 S44 | L36-G40 CarbonylContact O-C 3.51Å; L36-G40 WeakPolarHBondContact O-CA 3.33Å; L36-G40 PolarHBondContact O-N 3.43Å; G40-S44 CarbonylContact C-O 3.55Å; G40-S44 WeakPolarHBondContact CA-O 3.37Å | ||
| 41 | E | 78.1 | Confident | 80.8 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -125.4 | 141.3 | 166.2 | -82.3 | 172.7 | -151.1 | 0 | 0 | 108.2 | K43 S44 K49 | E41-K43 PolarHBondContact O-N 2.95Å; E41-K43 VanDerWaalsContact O-N 3.08Å; E41-S44 PolarHBondContact N-O 2.98Å; E41-S44 PolarHBondContact O-N 3.33Å; E41-S44 PolarHBondContact O-OG 2.72Å; E41-K49 VanDerWaalsContact CD-NZ 3.31Å; E41-K49 IonicContact OE1-NZ 2.99Å; E41-K49 PolarHBondContact OE1-NZ 3.32Å |
| 42 | N | 74.3 | Confident | 80.7 | Confident | 159 Ų | 159 | 71 Ų | 71 | 85% | 0.85 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 33.6 | 177.4 | -61.6 | -32.9 | 0 | 0 | 0 | 115.7 | S44 | N42-S44 PolarHBondContact O-N 3.19Š|
| 43 | K | 77.4 | Confident | 80.8 | Confident | 176 Ų | 176 | 69.8 Ų | 69.8 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 21 | -177.1 | -48.6 | -179.6 | 177.6 | -174.5 | 0 | 114.4 | E41 | E41-K43 PolarHBondContact O-N 2.95Å; E41-K43 VanDerWaalsContact O-N 3.08Å |
| 44 | S | 82.3 | Confident | 80.7 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -129.7 | 159.2 | 168.7 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | G40 E41 N42 E93 L94 | G40-S44 CarbonylContact C-O 3.55Å; G40-S44 WeakPolarHBondContact CA-O 3.37Å; E41-S44 PolarHBondContact N-O 2.98Å; E41-S44 PolarHBondContact O-N 3.33Å; E41-S44 PolarHBondContact O-OG 2.72Å; N42-S44 PolarHBondContact O-N 3.19Å; S44-E93 WeakPolarHBondContact CB-OE2 2.91Å; S44-E93 PolarHBondContact OG-OE2 2.79Å; S44-L94 CarbonylContact C-O 3.49Å; S44-L94 WeakPolarHBondContact CA-O 3.24Å; S44-L94 WeakPolarHBondContact CB-O 3.26Å |
| 45 | I | 85.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.8 | 175 | -170.2 | 173.3 | 0 | 0 | 0 | 109.4 | L36 K49 L50 L94 | L36-I45 HydrophobicContact CD2-CB 3.69Å; L36-I45 HydrophobicContact CD2-CG2 3.65Å; I45-K49 HydrophobicContact CD1-CB 4.24Å; I45-K49 HydrophobicContact CG1-CB 3.76Å; I45-L50 HydrophobicContact CD1-CB 4.19Å; I45-L50 HydrophobicContact CD1-CD1 4.44Å; I45-L50 HydrophobicContact CG1-CB 4.43Å; I45-L94 HydrophobicContact CG2-CB 3.63Å; I45-L94 PolarHBondContact N-O 3.13Å; I45-L94 PolarHBondContact O-N 3.17Å |
| 46 | T | 85.6 | Confident | 79.9 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 161.6 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | A48 K49 L50 E93 | T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 3.24Å; T46-K49 PolarHBondContact O-N 3.19Å; T46-K49 WeakPolarHBondContact OG1-CG 3.27Å; T46-L50 WeakPolarHBondContact O-CB 3.4Å; T46-L50 PolarHBondContact O-N 3.1Å; T46-E93 HydrophobicContact CG2-CG 4.43Å |
| 47 | T | 81.5 | Confident | 79.6 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | L50 E51 L83 | T47-L50 WeakPolarHBondContact O-CB 3.32Å; T47-L50 PolarHBondContact O-N 3.19Å; T47-E51 PolarHBondContact O-N 3.5Å; T47-L83 HydrophobicContact CG2-CD1 3.54Å |
| 48 | A | 76.3 | Confident | 79 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T46 L50 E51 D52 | T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 3.24Å; A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 2.89Å; A48-E51 VanDerWaalsContact O-CB 3.3Å; A48-E51 WeakPolarHBondContact O-CB 3.27Å; A48-E51 PolarHBondContact O-N 3.43Å; A48-D52 PolarHBondContact O-N 3Å; A48-D52 VanDerWaalsContact O-N 3.08Å |
| 49 | K | 80.7 | Confident | 78.4 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.1 | -26.5 | 178.4 | -66.4 | -167 | -173 | -174.3 | 0 | 112.8 | Y39 E41 I45 T46 M53 | Y39-K49 WeakPolarHBondContact O-CD 3.32Å; E41-K49 VanDerWaalsContact CD-NZ 3.31Å; E41-K49 IonicContact OE1-NZ 2.99Å; E41-K49 PolarHBondContact OE1-NZ 3.32Å; I45-K49 HydrophobicContact CD1-CB 4.24Å; I45-K49 HydrophobicContact CG1-CB 3.76Å; T46-K49 PolarHBondContact O-N 3.19Å; T46-K49 WeakPolarHBondContact OG1-CG 3.27Å; K49-M53 PolarHBondContact O-N 3.44Å; K49-M53 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 83.2 | Confident | 77.6 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 171.4 | -179.4 | 63.5 | 0 | 0 | 0 | 111 | I45 T46 T47 A48 M53 L54 A79 L83 L94 I102 | I45-L50 HydrophobicContact CD1-CB 4.19Å; I45-L50 HydrophobicContact CD1-CD1 4.44Å; I45-L50 HydrophobicContact CG1-CB 4.43Å; T46-L50 WeakPolarHBondContact O-CB 3.4Å; T46-L50 PolarHBondContact O-N 3.1Å; T47-L50 WeakPolarHBondContact O-CB 3.32Å; T47-L50 PolarHBondContact O-N 3.19Å; A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 2.89Å; L50-M53 HydrophobicContact CD1-CE 3.66Å; L50-M53 WeakPolarHBondContact O-CB 3.46Å; L50-M53 PolarHBondContact O-N 2.95Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.43Å; L50-A79 HydrophobicContact CB-CB 4.46Å; L50-A79 HydrophobicContact CD2-CB 4.14Å; L50-A79 HydrophobicContact CG-CB 4.17Å; L50-L83 HydrophobicContact CD2-CD1 4.21Å; L50-L83 HydrophobicContact CD2-CD2 4.08Å; L50-L83 HydrophobicContact CD2-CG 4.24Å; L50-L94 HydrophobicContact CD2-CD1 4.38Å; L50-L94 HydrophobicContact CD2-CD2 4.32Å; L50-I102 HydrophobicContact CD1-CD1 4.08Å; L50-I102 HydrophobicContact CD2-CD1 3.81Å |
| 51 | E | 80.3 | Confident | 77.1 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 172.1 | -163.2 | 70.9 | -168 | 0 | 0 | 110.6 | T47 A48 M53 L54 L55 A79 | T47-E51 PolarHBondContact O-N 3.5Å; A48-E51 VanDerWaalsContact O-CB 3.3Å; A48-E51 WeakPolarHBondContact O-CB 3.27Å; A48-E51 PolarHBondContact O-N 3.43Å; E51-M53 PolarHBondContact O-N 3.1Å; E51-L54 WeakPolarHBondContact O-CB 3.34Å; E51-L54 PolarHBondContact O-N 2.85Å; E51-L55 HydrophobicContact CG-CD1 4.37Å; E51-L55 VanDerWaalsContact O-CG 3.28Å; E51-L55 WeakPolarHBondContact O-CG 3.24Å; E51-L55 PolarHBondContact O-N 3.2Å; E51-A79 HydrophobicContact CB-CB 4.36Å; E51-A79 WeakPolarHBondContact OE2-CA 3.38Å; E51-A79 WeakPolarHBondContact OE2-CB 3.32Å; E51-A79 PolarHBondContact OE2-N 3.28Å |
| 52 | D | 76.9 | Confident | 76.3 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.1 | -39.2 | 177.3 | -66.2 | -21.2 | 0 | 0 | 0 | 112.8 | A48 L55 L56 | A48-D52 PolarHBondContact O-N 3Å; A48-D52 VanDerWaalsContact O-N 3.08Å; D52-L55 PolarHBondContact O-N 2.63Å; D52-L56 PolarHBondContact O-N 2.9Å; D52-L56 VanDerWaalsContact O-N 3.11Å |
| 53 | M | 81.9 | Confident | 75.6 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.5 | -173.2 | -168.1 | 80 | 0 | 0 | 111.5 | I35 Y39 K49 L50 E51 L55 L56 I57 V106 | I35-M53 HydrophobicContact CG2-SD 3.56Å; I35-M53 VanDerWaalsContact CG2-SD 3.56Å; Y39-M53 HydrophobicContact CD1-CB 3.91Å; Y39-M53 HydrophobicContact CD1-CG 4.15Å; Y39-M53 HydrophobicContact CD2-CG 3.95Å; Y39-M53 HydrophobicContact CD2-SD 4.13Å; Y39-M53 HydrophobicContact CE1-CB 4.01Å; Y39-M53 HydrophobicContact CE1-CG 4.07Å; Y39-M53 HydrophobicContact CE2-CG 3.86Å; Y39-M53 HydrophobicContact CE2-SD 4.45Å; Y39-M53 HydrophobicContact CG-CB 4.19Å; Y39-M53 HydrophobicContact CG-CG 4.1Å; Y39-M53 HydrophobicContact CG-SD 4.43Å; K49-M53 PolarHBondContact O-N 3.44Å; K49-M53 VanDerWaalsContact O-N 3.09Å; L50-M53 HydrophobicContact CD1-CE 3.66Å; L50-M53 WeakPolarHBondContact O-CB 3.46Å; L50-M53 PolarHBondContact O-N 2.95Å; E51-M53 PolarHBondContact O-N 3.1Å; M53-L55 VanDerWaalsContact C-N 3.26Å; M53-L55 PolarHBondContact O-N 3.02Å; M53-L56 PolarHBondContact O-N 3.17Å; M53-I57 HydrophobicContact CE-CD1 4.21Å; M53-I57 HydrophobicContact CG-CD1 4.05Å; M53-I57 WeakPolarHBondContact O-CD1 3.37Å; M53-I57 VanDerWaalsContact O-CG1 3.25Å; M53-I57 WeakPolarHBondContact O-CG1 3.25Å; M53-I57 PolarHBondContact O-N 3.16Å; M53-I57 VanDerWaalsContact O-N 3.15Å; M53-V106 HydrophobicContact CE-CG1 3.84Å; M53-V106 HydrophobicContact CE-CG2 4.31Å |
| 54 | L | 80 | Confident | 74.8 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 177.6 | -70.8 | 170.2 | 0 | 0 | 0 | 111.5 | L50 E51 I57 S58 A79 I82 V106 Q109 | L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.43Å; E51-L54 WeakPolarHBondContact O-CB 3.34Å; E51-L54 PolarHBondContact O-N 2.85Å; L54-I57 PolarHBondContact O-N 3.48Å; L54-S58 PolarHBondContact O-N 3.07Å; L54-S58 PolarHBondContact O-OG 3.37Å; L54-A79 HydrophobicContact CD1-CB 4.16Å; L54-I82 HydrophobicContact CD1-CD1 3.8Å; L54-I82 HydrophobicContact CD2-CD1 4.42Å; L54-V106 HydrophobicContact CD2-CB 4.27Å; L54-V106 HydrophobicContact CD2-CG1 4.02Å; L54-V106 HydrophobicContact CD2-CG2 4.08Å; L54-Q109 HydrophobicContact CD2-CB 4.47Å; L54-Q109 HydrophobicContact CD2-CG 4.41Å |
| 55 | L | 72 | Confident | 73.9 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 178 | -68.6 | 170.9 | 0 | 0 | 0 | 113.4 | E51 D52 M53 I57 S58 A59 Y117 | E51-L55 HydrophobicContact CG-CD1 4.37Å; E51-L55 VanDerWaalsContact O-CG 3.28Å; E51-L55 WeakPolarHBondContact O-CG 3.24Å; E51-L55 PolarHBondContact O-N 3.2Å; D52-L55 PolarHBondContact O-N 2.63Å; M53-L55 VanDerWaalsContact C-N 3.26Å; M53-L55 PolarHBondContact O-N 3.02Å; L55-I57 VanDerWaalsContact C-N 3.26Å; L55-I57 PolarHBondContact O-N 3.03Å; L55-S58 WeakPolarHBondContact CA-OG 3.32Å; L55-S58 PolarHBondContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.34Å; L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 2.83Å; L55-Y117 HydrophobicContact CD1-CD2 3.78Å; L55-Y117 HydrophobicContact CD1-CE2 3.34Å; L55-Y117 HydrophobicContact CD2-CD2 3.26Å; L55-Y117 HydrophobicContact CD2-CE2 3.81Å; L55-Y117 HydrophobicContact CD2-CG 4.18Å; L55-Y117 HydrophobicContact CG-CD2 4.09Å; L55-Y117 HydrophobicContact CG-CE2 4.13Å |
| 56 | L | 74.5 | Confident | 72.6 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 175.5 | -81.3 | 167.2 | 0 | 0 | 0 | 112.2 | Y39 D52 M53 R60 | Y39-L56 HydrophobicContact CE1-CD1 3.84Å; D52-L56 PolarHBondContact O-N 2.9Å; D52-L56 VanDerWaalsContact O-N 3.11Å; M53-L56 PolarHBondContact O-N 3.17Å; L56-R60 PolarHBondContact O-N 3.47Å |
| 57 | I | 77.2 | Confident | 71.2 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 177.9 | -70.4 | 169.1 | 0 | 0 | 0 | 110.6 | M53 L54 L55 V106 V110 | M53-I57 HydrophobicContact CE-CD1 4.21Å; M53-I57 HydrophobicContact CG-CD1 4.05Å; M53-I57 WeakPolarHBondContact O-CD1 3.37Å; M53-I57 VanDerWaalsContact O-CG1 3.25Å; M53-I57 WeakPolarHBondContact O-CG1 3.25Å; M53-I57 PolarHBondContact O-N 3.16Å; M53-I57 VanDerWaalsContact O-N 3.15Å; L54-I57 PolarHBondContact O-N 3.48Å; L55-I57 VanDerWaalsContact C-N 3.26Å; L55-I57 PolarHBondContact O-N 3.03Å; I57-V106 HydrophobicContact CD1-CG1 3.88Å; I57-V110 HydrophobicContact CG2-CG2 3.29Å |
| 58 | S | 70.8 | Confident | 70.4 | Confident | 29 Ų | 29 | 74 Ų | 74 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.5 | -36.3 | 176.1 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | L54 L55 R60 R61 | L54-S58 PolarHBondContact O-N 3.07Å; L54-S58 PolarHBondContact O-OG 3.37Å; L55-S58 WeakPolarHBondContact CA-OG 3.32Å; L55-S58 PolarHBondContact O-N 3.13Å; L55-S58 PolarHBondContact O-OG 3.34Å; S58-R60 PolarHBondContact O-N 3.07Å; S58-R61 WeakPolarHBondContact O-CB 3.39Å |
| 59 | A | 67.8 | Low | 70.2 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.4 | -29.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | L55 R61 | L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 2.83Å; A59-R61 VanDerWaalsContact C-N 3.34Å |
| 60 | R | 64.4 | Low | 69.7 | Low | 219 Ų | 219 | 75.3 Ų | 75.3 | 83% | 0.826 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 19 | -179.8 | -70.6 | -167.7 | 178.4 | -160.5 | 2 | 114.2 | L56 S58 | L56-R60 PolarHBondContact O-N 3.47Å; S58-R60 PolarHBondContact O-N 3.07Å |
| 61 | R | 68.3 | Low | 69.1 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 23% | 0.226 | 44% | 0.435 | C | S | . | . | trans | -64.7 | 147 | -179.1 | -176.1 | -178.7 | 170.8 | -172.9 | 6 | 112.3 | S58 A59 I65 L112 P113 | S58-R61 WeakPolarHBondContact O-CB 3.39Å; A59-R61 VanDerWaalsContact C-N 3.34Å; R61-I65 HydrophobicContact CG-CD1 3.92Å; R61-I65 VanDerWaalsContact NH2-CG2 3.26Å; R61-I65 PolarHBondContact NH2-O 3.27Å; R61-L112 PolarHBondContact NH1-O 3.45Å; R61-P113 VanDerWaalsContact NH1-CA 3.34Å | ||
| 62 | S | 63 | Low | 68.3 | Low | 66 Ų | 66 | 81.9 Ų | 81.9 | 46% | 0.462 | 46% | 0.456 | S | S | . | . | trans | -77.9 | 133.6 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | S64 I65 | S62-S64 PolarHBondContact O-N 3.08Å; S62-S64 VanDerWaalsContact O-N 3.09Å; S62-S64 PolarHBondContact OG-N 3.44Å; S62-S64 PolarHBondContact OG-OG 3.15Å; S62-I65 PolarHBondContact O-N 2.89Å | ||
| 63 | E | 58.9 | Low | 67.4 | Low | 189 Ų | 189 | 83.8 Ų | 83.8 | 88% | 0.883 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -58.9 | -18.3 | 174.5 | -68 | 178.2 | 169.4 | 0 | 0 | 113.6 | I65 | E63-I65 PolarHBondContact O-N 2.82Š|
| 64 | S | 59.8 | Low | 67 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -69.3 | -7.4 | -179 | 62.7 | 0 | 0 | 0 | 0 | 115.6 | S62 | S62-S64 PolarHBondContact O-N 3.08Å; S62-S64 VanDerWaalsContact O-N 3.09Å; S62-S64 PolarHBondContact OG-N 3.44Å; S62-S64 PolarHBondContact OG-OG 3.15Å |
| 65 | I | 62.9 | Low | 66.4 | Low | 43 Ų | 43 | 98.1 Ų | 98.1 | 22% | 0.221 | 54% | 0.541 | C | S | . | . | G | 310 helix | trans | -93.7 | 7.8 | -174.2 | -50.6 | 168.2 | 0 | 0 | 0 | 111.4 | R61 S62 E63 | R61-I65 HydrophobicContact CG-CD1 3.92Å; R61-I65 VanDerWaalsContact NH2-CG2 3.26Å; R61-I65 PolarHBondContact NH2-O 3.27Å; S62-I65 PolarHBondContact O-N 2.89Å; E63-I65 PolarHBondContact O-N 2.82Å |
| 66 | S | 58 | Low | 66.5 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | trans | -93.6 | -25.9 | -171.9 | -155.9 | 0 | 0 | 0 | 0 | 114.9 | G68 | S66-G68 PolarHBondContact O-N 3.19Š| ||
| 67 | E | 57.3 | Low | 66.6 | Low | 195 Ų | 195 | 96.8 Ų | 96.8 | 91% | 0.911 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 112.5 | -178.4 | -73.5 | -169.5 | 159.4 | 0 | 0 | 111.4 | ||
| 68 | G | 64.9 | Low | 66.7 | Low | 76 Ų | 76 | 96.2 Ų | 96.2 | 78% | 0.784 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 25.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S66 P70 | S66-G68 PolarHBondContact O-N 3.19Å; G68-P70 WeakPolarHBondContact O-CD 3.28Å |
| 69 | N | 71.6 | Confident | 67.1 | Low | 26 Ų | 26 | 94.9 Ų | 94.9 | 14% | 0.139 | 53% | 0.53 | C | S | . | . | trans | -71 | 118.6 | -178.4 | -173.8 | -8.3 | 0 | 0 | 0 | 111.9 | L71 E72 L111 | N69-L71 PolarHBondContact O-N 3.39Å; N69-L71 WeakPolarHBondContact OD1-CB 3.25Å; N69-L71 PolarHBondContact OD1-N 2.69Å; N69-E72 WeakPolarHBondContact O-CB 3.27Å; N69-E72 PolarHBondContact O-N 3.34Å; N69-L111 PolarHBondContact ND2-O 3.15Å | ||
| 70 | P | 70.8 | Confident | 67.7 | Low | 122 Ų | 122 | 97.8 Ų | 97.8 | 79% | 0.792 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6.1 | 178.9 | 28.7 | -35.9 | 0 | 0 | 0 | 114.2 | G68 | G68-P70 WeakPolarHBondContact O-CD 3.28Š|
| 71 | L | 69.2 | Low | 68.5 | Low | 41 Ų | 41 | 92.7 Ų | 92.7 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9.6 | 179.9 | -58.2 | 175.6 | 0 | 0 | 0 | 113.6 | N69 S73 K74 L111 L112 P113 | N69-L71 PolarHBondContact O-N 3.39Å; N69-L71 WeakPolarHBondContact OD1-CB 3.25Å; N69-L71 PolarHBondContact OD1-N 2.69Å; L71-S73 PolarHBondContact O-N 2.92Å; L71-K74 HydrophobicContact CD2-CD 4.17Å; L71-K74 PolarHBondContact O-N 2.59Å; L71-K74 VanDerWaalsContact O-N 3.1Å; L71-L111 HydrophobicContact CD1-CB 4.04Å; L71-L112 HydrophobicContact CB-CD2 4.17Å; L71-L112 HydrophobicContact CD1-CD2 4.5Å; L71-P113 WeakPolarHBondContact O-CD 3.37Å |
| 72 | E | 63.1 | Low | 69.2 | Low | 141 Ų | 141 | 90.1 Ų | 90.1 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.6 | -177.7 | -170.5 | 177 | -174.3 | 0 | 0 | 114.5 | N69 P113 | N69-E72 WeakPolarHBondContact O-CB 3.27Å; N69-E72 PolarHBondContact O-N 3.34Å; E72-P113 WeakPolarHBondContact O-CG 3.38Å |
| 73 | S | 59.3 | Low | 70.2 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 10.8 | -179.4 | 74.9 | 0 | 0 | 0 | 0 | 114.5 | L71 | L71-S73 PolarHBondContact O-N 2.92Š|
| 74 | K | 72.7 | Confident | 71.5 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 131.9 | -176.9 | -74.7 | -150.4 | 177.6 | -173.3 | 0 | 112.3 | L71 L112 | L71-K74 HydrophobicContact CD2-CD 4.17Å; L71-K74 PolarHBondContact O-N 2.59Å; L71-K74 VanDerWaalsContact O-N 3.1Å; K74-L112 HydrophobicContact CB-CD2 3.64Å |
| 75 | E | 67.4 | Low | 72.7 | Confident | 183 Ų | 183 | 84.5 Ų | 84.5 | 86% | 0.855 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 150.4 | 173.7 | -66.9 | 175.8 | -177.3 | 0 | 0 | 111.8 | P77 | E75-P77 WeakPolarHBondContact O-CD 3.37Š|
| 76 | C | 73.9 | Confident | 73.7 | Confident | 37 Ų | 37 | 86 Ų | 86 | 25% | 0.25 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 119.6 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | L112 C115 | C76-L112 HydrophobicContact CB-CD1 4.48Å; C76-C115 HydrophobicContact CB-CB 3.58Å; C76-C115 WeakPolarHBondContact CB-SG 3.43Å; C76-C115 WeakPolarHBondContact SG-CA 3.28Å; C76-C115 WeakPolarHBondContact SG-CB 3.36Å; C76-C115 CovalentContact SG-SG 2.02Å; C76-C115 PolarHBondContact SG-SG 2.84Å |
| 77 | P | 76.7 | Confident | 74.8 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 26% | 0.26 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 141.5 | 178 | 30.9 | -34.8 | 0 | 0 | 0 | 111.3 | E75 Q81 I82 | E75-P77 WeakPolarHBondContact O-CD 3.37Å; P77-Q81 VanDerWaalsContact CA-OE1 3.24Å; P77-Q81 HydrophobicContact CB-CB 4.06Å; P77-I82 HydrophobicContact CB-CG1 3.95Å; P77-I82 HydrophobicContact CG-CD1 4.17Å; P77-I82 HydrophobicContact CG-CG1 3.87Å |
| 78 | S | 79.3 | Confident | 76 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 164.6 | 170.1 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | E80 Q81 I82 | S78-E80 PolarHBondContact O-N 3.2Å; S78-Q81 PolarHBondContact O-N 3.15Å; S78-Q81 WeakPolarHBondContact OG-CG 3.2Å; S78-Q81 PolarHBondContact OG-N 3.37Å; S78-I82 WeakPolarHBondContact O-CG1 3.46Å; S78-I82 PolarHBondContact O-N 3.23Å |
| 79 | A | 80.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 75 Ų | 75 | 2% | 0.017 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -54.4 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L50 E51 L54 Q81 I82 L83 | L50-A79 HydrophobicContact CB-CB 4.46Å; L50-A79 HydrophobicContact CD2-CB 4.14Å; L50-A79 HydrophobicContact CG-CB 4.17Å; E51-A79 HydrophobicContact CB-CB 4.36Å; E51-A79 WeakPolarHBondContact OE2-CA 3.38Å; E51-A79 WeakPolarHBondContact OE2-CB 3.32Å; E51-A79 PolarHBondContact OE2-N 3.28Å; L54-A79 HydrophobicContact CD1-CB 4.16Å; A79-Q81 PolarHBondContact O-N 3.39Å; A79-I82 PolarHBondContact O-N 3.19Å; A79-L83 WeakPolarHBondContact O-CB 3.37Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 2.88Å |
| 80 | E | 80.2 | Confident | 76.5 | Confident | 142 Ų | 142 | 81.7 Ų | 81.7 | 66% | 0.664 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 177.1 | -65.7 | -170.7 | 167 | 0 | 0 | 113 | S78 L83 S84 | S78-E80 PolarHBondContact O-N 3.2Å; E80-L83 PolarHBondContact O-N 3.49Å; E80-S84 WeakPolarHBondContact O-CB 3.01Å; E80-S84 PolarHBondContact O-N 3.08Å; E80-S84 PolarHBondContact O-OG 3.48Å |
| 81 | Q | 81.3 | Confident | 76.8 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 176.3 | -71.4 | 176.9 | -12 | 0 | 0 | 111.6 | P77 S78 A79 S84 H85 | P77-Q81 VanDerWaalsContact CA-OE1 3.24Å; P77-Q81 HydrophobicContact CB-CB 4.06Å; S78-Q81 PolarHBondContact O-N 3.15Å; S78-Q81 WeakPolarHBondContact OG-CG 3.2Å; S78-Q81 PolarHBondContact OG-N 3.37Å; A79-Q81 PolarHBondContact O-N 3.39Å; Q81-S84 WeakPolarHBondContact CA-OG 3.25Å; Q81-S84 PolarHBondContact O-OG 3.38Å; Q81-H85 VanDerWaalsContact O-CB 3.29Å; Q81-H85 WeakPolarHBondContact O-CB 3.49Å; Q81-H85 PolarHBondContact O-N 3.32Å |
| 82 | I | 83.3 | Confident | 77 | Confident | 7 Ų | 7 | 81.8 Ų | 81.8 | 4% | 0.036 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 172.7 | -64.9 | 170.4 | 0 | 0 | 0 | 109.4 | L54 P77 S78 A79 S84 H85 F86 I102 A105 | L54-I82 HydrophobicContact CD1-CD1 3.8Å; L54-I82 HydrophobicContact CD2-CD1 4.42Å; P77-I82 HydrophobicContact CB-CG1 3.95Å; P77-I82 HydrophobicContact CG-CD1 4.17Å; P77-I82 HydrophobicContact CG-CG1 3.87Å; S78-I82 WeakPolarHBondContact O-CG1 3.46Å; S78-I82 PolarHBondContact O-N 3.23Å; A79-I82 PolarHBondContact O-N 3.19Å; I82-S84 PolarHBondContact O-N 2.89Å; I82-H85 PolarHBondContact O-N 2.96Å; I82-F86 HydrophobicContact CG2-CD2 4.21Å; I82-F86 HydrophobicContact CG2-CE2 4.37Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.5Å; I82-F86 PolarHBondContact O-N 2.99Å; I82-F86 VanDerWaalsContact O-N 3.15Å; I82-I102 HydrophobicContact CG2-CB 4.1Å; I82-I102 HydrophobicContact CG2-CG2 4.15Å; I82-A105 HydrophobicContact CG2-CB 3.86Å |
| 83 | L | 83.9 | Confident | 77.8 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | -178.1 | -68.7 | 172.1 | 0 | 0 | 0 | 112 | T47 L50 A79 E80 H85 F86 G87 F88 L94 | T47-L83 HydrophobicContact CG2-CD1 3.54Å; L50-L83 HydrophobicContact CD2-CD1 4.21Å; L50-L83 HydrophobicContact CD2-CD2 4.08Å; L50-L83 HydrophobicContact CD2-CG 4.24Å; A79-L83 WeakPolarHBondContact O-CB 3.37Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 2.88Å; E80-L83 PolarHBondContact O-N 3.49Å; L83-H85 PolarHBondContact O-N 3.42Å; L83-F86 PolarHBondContact O-N 3.31Å; L83-G87 PolarHBondContact O-N 3.39Å; L83-F88 HydrophobicContact CB-CB 4.17Å; L83-F88 HydrophobicContact CD2-CB 4Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 WeakPolarHBondContact O-CA 3.37Å; L83-F88 WeakPolarHBondContact O-CB 3.31Å; L83-F88 PolarHBondContact O-N 3.27Å; L83-L94 HydrophobicContact CD1-CD1 4Å; L83-L94 HydrophobicContact CD2-CD1 3.67Å; L83-L94 HydrophobicContact CD2-CD2 3.35Å; L83-L94 HydrophobicContact CD2-CG 3.97Å |
| 84 | S | 84.4 | Confident | 78.9 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.3 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | E80 Q81 I82 F86 G87 | E80-S84 WeakPolarHBondContact O-CB 3.01Å; E80-S84 PolarHBondContact O-N 3.08Å; E80-S84 PolarHBondContact O-OG 3.48Å; Q81-S84 WeakPolarHBondContact CA-OG 3.25Å; Q81-S84 PolarHBondContact O-OG 3.38Å; I82-S84 PolarHBondContact O-N 2.89Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 2.68Å; S84-G87 PolarHBondContact O-N 2.94Å; S84-G87 VanDerWaalsContact O-N 3.1Å |
| 85 | H | 85.6 | Confident | 79.6 | Confident | 159 Ų | 159 | 71.4 Ų | 71.4 | 74% | 0.736 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -34.3 | 177.3 | -166.4 | 80.5 | 0 | 0 | 0 | 113 | Q81 I82 L83 | Q81-H85 VanDerWaalsContact O-CB 3.29Å; Q81-H85 WeakPolarHBondContact O-CB 3.49Å; Q81-H85 PolarHBondContact O-N 3.32Å; I82-H85 PolarHBondContact O-N 2.96Å; L83-H85 PolarHBondContact O-N 3.42Å |
| 86 | F | 84.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 7.7 | 177.5 | -73.8 | -97.1 | 0 | 0 | 0 | 113.8 | I82 L83 S84 F88 R101 I102 A105 | I82-F86 HydrophobicContact CG2-CD2 4.21Å; I82-F86 HydrophobicContact CG2-CE2 4.37Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.5Å; I82-F86 PolarHBondContact O-N 2.99Å; I82-F86 VanDerWaalsContact O-N 3.15Å; L83-F86 PolarHBondContact O-N 3.31Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 2.68Å; F86-F88 HydrophobicContact CB-CD2 3.74Å; F86-F88 HydrophobicContact CB-CE2 3.72Å; F86-R101 WeakPolarHBondContact CD1-O 3.3Å; F86-R101 WeakPolarHBondContact CE1-O 3.24Å; F86-I102 HydrophobicContact CB-CG2 4.06Å; F86-I102 HydrophobicContact CD1-CG2 4.46Å; F86-I102 HydrophobicContact CD2-CG2 4.16Å; F86-I102 HydrophobicContact CG-CG2 3.97Å; F86-A105 HydrophobicContact CE2-CB 3.67Å; F86-A105 HydrophobicContact CZ-CB 4.02Å |
| 87 | G | 80.3 | Confident | 80.6 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 68% | 0.68 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 20.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L83 S84 | L83-G87 PolarHBondContact O-N 3.39Å; S84-G87 PolarHBondContact O-N 2.94Å; S84-G87 VanDerWaalsContact O-N 3.1Å |
| 88 | F | 83.8 | Confident | 81 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | trans | -109.5 | 14.9 | -177.3 | -54.6 | -46.7 | 0 | 0 | 0 | 114.3 | L83 F86 N90 I91 H98 R101 I102 | L83-F88 HydrophobicContact CB-CB 4.17Å; L83-F88 HydrophobicContact CD2-CB 4Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 WeakPolarHBondContact O-CA 3.37Å; L83-F88 WeakPolarHBondContact O-CB 3.31Å; L83-F88 PolarHBondContact O-N 3.27Å; F86-F88 HydrophobicContact CB-CD2 3.74Å; F86-F88 HydrophobicContact CB-CE2 3.72Å; F88-N90 PolarHBondContact O-N 2.89Å; F88-I91 HydrophobicContact CB-CD1 4.06Å; F88-I91 HydrophobicContact CB-CG1 4.45Å; F88-I91 HydrophobicContact CD1-CD1 3.56Å; F88-I91 HydrophobicContact CE1-CD1 4.44Å; F88-I91 HydrophobicContact CG-CD1 4.2Å; F88-I91 PolarHBondContact O-N 2.93Å; F88-H98 AromaticContact CE1-CD2 3.82Å; F88-H98 HydrophobicContact CE2-CB 4.48Å; F88-R101 HydrophobicContact CE2-CB 4.16Å; F88-R101 HydrophobicContact CZ-CB 4.24Å; F88-I102 HydrophobicContact CD2-CG2 4.02Å; F88-I102 HydrophobicContact CE2-CG2 3.98Å | ||
| 89 | G | 71.4 | Confident | 81.2 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 90 | N | 74.5 | Confident | 81.3 | Confident | 166 Ų | 166 | 65 Ų | 65 | 89% | 0.888 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.3 | 179.8 | -65.3 | -3.8 | 0 | 0 | 0 | 113.4 | F88 | F88-N90 PolarHBondContact O-N 2.89Š|
| 91 | I | 76.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | trans | -100.1 | 121.5 | -174.4 | -56.4 | -177.1 | 0 | 0 | 0 | 109.1 | F88 E93 | F88-I91 HydrophobicContact CB-CD1 4.06Å; F88-I91 HydrophobicContact CB-CG1 4.45Å; F88-I91 HydrophobicContact CD1-CD1 3.56Å; F88-I91 HydrophobicContact CE1-CD1 4.44Å; F88-I91 HydrophobicContact CG-CD1 4.2Å; F88-I91 PolarHBondContact O-N 2.93Å; I91-E93 WeakPolarHBondContact CG2-O 3.48Å | ||
| 92 | T | 73.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -81.2 | -24.8 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 93 | E | 80.6 | Confident | 81.9 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.6 | -175.8 | -75.1 | -171.8 | -158.9 | 0 | 0 | 112.3 | S44 T46 I91 | S44-E93 WeakPolarHBondContact CB-OE2 2.91Å; S44-E93 PolarHBondContact OG-OE2 2.79Å; T46-E93 HydrophobicContact CG2-CG 4.43Å; I91-E93 WeakPolarHBondContact CG2-O 3.48Å |
| 94 | L | 83.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.9 | 178.8 | -79.6 | 93.5 | 0 | 0 | 0 | 111.6 | S44 I45 L50 L83 H98 I102 | S44-L94 CarbonylContact C-O 3.49Å; S44-L94 WeakPolarHBondContact CA-O 3.24Å; S44-L94 WeakPolarHBondContact CB-O 3.26Å; I45-L94 HydrophobicContact CG2-CB 3.63Å; I45-L94 PolarHBondContact N-O 3.13Å; I45-L94 PolarHBondContact O-N 3.17Å; L50-L94 HydrophobicContact CD2-CD1 4.38Å; L50-L94 HydrophobicContact CD2-CD2 4.32Å; L83-L94 HydrophobicContact CD1-CD1 4Å; L83-L94 HydrophobicContact CD2-CD1 3.67Å; L83-L94 HydrophobicContact CD2-CD2 3.35Å; L83-L94 HydrophobicContact CD2-CG 3.97Å; L94-H98 HydrophobicContact CB-CB 4.04Å; L94-H98 HydrophobicContact CD2-CB 3.75Å; L94-H98 HydrophobicContact CG-CB 4Å; L94-I102 HydrophobicContact CD2-CD1 3.7Å |
| 95 | T | 85.9 | Confident | 82 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | trans | -97.5 | 173.9 | 175.6 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | G97 H98 L99 | T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.14Å; T95-H98 PolarHBondContact N-ND1 3.18Å; T95-H98 WeakPolarHBondContact O-CB 3.37Å; T95-H98 PolarHBondContact O-N 2.81Å; T95-H98 PolarHBondContact OG1-ND1 3.1Å; T95-L99 PolarHBondContact O-N 3.46Å | ||
| 96 | V | 83.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -48.1 | -42.4 | 175 | -178.3 | 0 | 0 | 0 | 0 | 112 | Q29 L32 E33 L36 H98 L99 G100 | Q29-V96 HydrophobicContact CG-CG1 3.72Å; L32-V96 HydrophobicContact CB-CG1 3.88Å; L32-V96 HydrophobicContact CD2-CG1 4.22Å; L32-V96 WeakPolarHBondContact CD2-O 3.43Å; E33-V96 HydrophobicContact CG-CG2 3.91Å; L36-V96 HydrophobicContact CD1-CB 4.13Å; L36-V96 HydrophobicContact CD1-CG2 3.38Å; V96-H98 PolarHBondContact O-N 3.32Å; V96-L99 PolarHBondContact O-N 3.39Å; V96-G100 PolarHBondContact O-N 2.95Å |
| 97 | G | 80.1 | Confident | 81.8 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -32.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T95 | T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.14Å |
| 98 | H | 84.4 | Confident | 81.8 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.4 | -43.2 | 174.9 | -57.4 | 153.4 | 0 | 0 | 0 | 110.7 | F88 L94 T95 V96 G100 R101 I102 | F88-H98 AromaticContact CE1-CD2 3.82Å; F88-H98 HydrophobicContact CE2-CB 4.48Å; L94-H98 HydrophobicContact CB-CB 4.04Å; L94-H98 HydrophobicContact CD2-CB 3.75Å; L94-H98 HydrophobicContact CG-CB 4Å; T95-H98 PolarHBondContact N-ND1 3.18Å; T95-H98 WeakPolarHBondContact O-CB 3.37Å; T95-H98 PolarHBondContact O-N 2.81Å; T95-H98 PolarHBondContact OG1-ND1 3.1Å; V96-H98 PolarHBondContact O-N 3.32Å; H98-G100 VanDerWaalsContact C-N 3.3Å; H98-G100 PolarHBondContact O-N 2.86Å; H98-R101 PolarHBondContact O-N 3.21Å; H98-I102 PolarHBondContact O-N 3.12Å; H98-I102 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 82.6 | Confident | 81.5 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.4 | -170.2 | 62.1 | 0 | 0 | 0 | 111.8 | L32 I35 L36 T95 V96 R101 I102 C103 | L32-L99 HydrophobicContact CB-CD2 4.3Å; L32-L99 HydrophobicContact CD2-CB 4.26Å; L32-L99 HydrophobicContact CD2-CG 4.45Å; L32-L99 HydrophobicContact CG-CD2 4.37Å; I35-L99 HydrophobicContact CB-CD2 4.02Å; I35-L99 HydrophobicContact CD1-CD2 4.44Å; I35-L99 HydrophobicContact CG2-CD2 3.75Å; L36-L99 HydrophobicContact CD2-CD2 4.28Å; L36-L99 HydrophobicContact CG-CD2 4.15Å; T95-L99 PolarHBondContact O-N 3.46Å; V96-L99 PolarHBondContact O-N 3.39Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.19Å; L99-I102 HydrophobicContact CD1-CD1 4.03Å; L99-I102 HydrophobicContact CD1-CG1 4.18Å; L99-I102 WeakPolarHBondContact O-CG1 3.21Å; L99-I102 PolarHBondContact O-N 3.11Å; L99-C103 WeakPolarHBondContact O-CB 3.35Å; L99-C103 PolarHBondContact O-N 2.94Å |
| 100 | G | 84.6 | Confident | 81.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -30.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L32 V96 H98 | L32-G100 VanDerWaalsContact CD2-CA 3.42Å; L32-G100 VanDerWaalsContact CD2-N 3.31Å; V96-G100 PolarHBondContact O-N 2.95Å; H98-G100 VanDerWaalsContact C-N 3.3Å; H98-G100 PolarHBondContact O-N 2.86Å |
| 101 | R | 84.4 | Confident | 81.7 | Confident | 164 Ų | 164 | 54.9 Ų | 54.9 | 62% | 0.619 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -78.4 | -35.7 | 177.9 | -72.5 | 177.1 | 179.1 | -174.6 | 6.9 | 112.7 | F86 F88 H98 L99 P104 | F86-R101 WeakPolarHBondContact CD1-O 3.3Å; F86-R101 WeakPolarHBondContact CE1-O 3.24Å; F88-R101 HydrophobicContact CE2-CB 4.16Å; F88-R101 HydrophobicContact CZ-CB 4.24Å; H98-R101 PolarHBondContact O-N 3.21Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.19Å; R101-P104 WeakPolarHBondContact O-CD 3.48Å |
| 102 | I | 86.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -86.1 | -9 | 177.2 | 65.2 | 171.2 | 0 | 0 | 0 | 113.4 | L50 I82 F86 F88 L94 H98 L99 P104 A105 V106 | L50-I102 HydrophobicContact CD1-CD1 4.08Å; L50-I102 HydrophobicContact CD2-CD1 3.81Å; I82-I102 HydrophobicContact CG2-CB 4.1Å; I82-I102 HydrophobicContact CG2-CG2 4.15Å; F86-I102 HydrophobicContact CB-CG2 4.06Å; F86-I102 HydrophobicContact CD1-CG2 4.46Å; F86-I102 HydrophobicContact CD2-CG2 4.16Å; F86-I102 HydrophobicContact CG-CG2 3.97Å; F88-I102 HydrophobicContact CD2-CG2 4.02Å; F88-I102 HydrophobicContact CE2-CG2 3.98Å; L94-I102 HydrophobicContact CD2-CD1 3.7Å; H98-I102 PolarHBondContact O-N 3.12Å; H98-I102 VanDerWaalsContact O-N 3.15Å; L99-I102 HydrophobicContact CD1-CD1 4.03Å; L99-I102 HydrophobicContact CD1-CG1 4.18Å; L99-I102 WeakPolarHBondContact O-CG1 3.21Å; L99-I102 PolarHBondContact O-N 3.11Å; I102-P104 VanDerWaalsContact C-CD 3.45Å; I102-P104 VanDerWaalsContact C-N 3.34Å; I102-A105 WeakPolarHBondContact O-CA 3.13Å; I102-A105 WeakPolarHBondContact O-CB 3.32Å; I102-A105 PolarHBondContact O-N 3.33Å; I102-V106 HydrophobicContact CD1-CG2 4.35Å; I102-V106 HydrophobicContact CG1-CG2 4.26Å; I102-V106 PolarHBondContact O-N 3.42Å |
| 103 | C | 85.6 | Confident | 81 | Confident | 61 Ų | 61 | 49 Ų | 49 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -49.7 | -42.3 | -178.4 | -176.8 | 0 | 0 | 0 | 0 | 114.2 | L99 A105 V106 L107 | L99-C103 WeakPolarHBondContact O-CB 3.35Å; L99-C103 PolarHBondContact O-N 2.94Å; C103-A105 VanDerWaalsContact C-N 3.31Å; C103-A105 PolarHBondContact O-N 3.09Å; C103-V106 PolarHBondContact O-N 3.47Å; C103-L107 WeakPolarHBondContact O-CB 3.39Å; C103-L107 PolarHBondContact O-N 3.26Å |
| 104 | P | 86.6 | Confident | 80.1 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 51% | 0.506 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 174.8 | -23.7 | 35.4 | 0 | 0 | 0 | 113.7 | R101 I102 T108 | R101-P104 WeakPolarHBondContact O-CD 3.48Å; I102-P104 VanDerWaalsContact C-CD 3.45Å; I102-P104 VanDerWaalsContact C-N 3.34Å; P104-T108 WeakPolarHBondContact O-CB 3.36Å; P104-T108 PolarHBondContact O-N 3.14Å; P104-T108 PolarHBondContact O-OG1 3.36Å |
| 105 | A | 83.2 | Confident | 79 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I82 F86 I102 C103 L107 T108 Q109 | I82-A105 HydrophobicContact CG2-CB 3.86Å; F86-A105 HydrophobicContact CE2-CB 3.67Å; F86-A105 HydrophobicContact CZ-CB 4.02Å; I102-A105 WeakPolarHBondContact O-CA 3.13Å; I102-A105 WeakPolarHBondContact O-CB 3.32Å; I102-A105 PolarHBondContact O-N 3.33Å; C103-A105 VanDerWaalsContact C-N 3.31Å; C103-A105 PolarHBondContact O-N 3.09Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.92Å; A105-T108 PolarHBondContact O-N 2.9Å; A105-Q109 PolarHBondContact O-N 3.21Å; A105-Q109 VanDerWaalsContact O-N 3.14Å |
| 106 | V | 84.4 | Confident | 77.3 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 173.8 | 177 | 0 | 0 | 0 | 0 | 111.1 | M53 L54 I57 I102 C103 Q109 | M53-V106 HydrophobicContact CE-CG1 3.84Å; M53-V106 HydrophobicContact CE-CG2 4.31Å; L54-V106 HydrophobicContact CD2-CB 4.27Å; L54-V106 HydrophobicContact CD2-CG1 4.02Å; L54-V106 HydrophobicContact CD2-CG2 4.08Å; I57-V106 HydrophobicContact CD1-CG1 3.88Å; I102-V106 HydrophobicContact CD1-CG2 4.35Å; I102-V106 HydrophobicContact CG1-CG2 4.26Å; I102-V106 PolarHBondContact O-N 3.42Å; C103-V106 PolarHBondContact O-N 3.47Å; V106-Q109 VanDerWaalsContact O-CB 3.23Å; V106-Q109 WeakPolarHBondContact O-CB 3.28Å; V106-Q109 PolarHBondContact O-N 3.48Å |
| 107 | L | 82.2 | Confident | 75.5 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 61% | 0.613 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69 | -35.4 | 178.9 | -171.1 | 67.6 | 0 | 0 | 0 | 112.2 | C103 A105 Q109 V110 | C103-L107 WeakPolarHBondContact O-CB 3.39Å; C103-L107 PolarHBondContact O-N 3.26Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.92Å; L107-Q109 PolarHBondContact O-N 3.38Å; L107-V110 WeakPolarHBondContact O-CB 3.36Å; L107-V110 PolarHBondContact O-N 2.84Å |
| 108 | T | 80.3 | Confident | 74 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -29.4 | 177 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | P104 A105 V110 L111 L112 | P104-T108 WeakPolarHBondContact O-CB 3.36Å; P104-T108 PolarHBondContact O-N 3.14Å; P104-T108 PolarHBondContact O-OG1 3.36Å; A105-T108 PolarHBondContact O-N 2.9Å; T108-V110 PolarHBondContact O-N 3.33Å; T108-L111 WeakPolarHBondContact O-CB 3.23Å; T108-L111 PolarHBondContact O-N 3.49Å; T108-L112 PolarHBondContact O-N 3.24Å |
| 109 | Q | 77.1 | Confident | 71.8 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -32.7 | 174.6 | -156.6 | 77.2 | -7.8 | 0 | 0 | 112.8 | L54 A105 V106 L107 L111 | L54-Q109 HydrophobicContact CD2-CB 4.47Å; L54-Q109 HydrophobicContact CD2-CG 4.41Å; A105-Q109 PolarHBondContact O-N 3.21Å; A105-Q109 VanDerWaalsContact O-N 3.14Å; V106-Q109 VanDerWaalsContact O-CB 3.23Å; V106-Q109 WeakPolarHBondContact O-CB 3.28Å; V106-Q109 PolarHBondContact O-N 3.48Å; L107-Q109 PolarHBondContact O-N 3.38Å; Q109-L111 PolarHBondContact O-N 3.3Å |
| 110 | V | 75 | Confident | 69.8 | Low | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.9 | 176.8 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | I57 L107 T108 | I57-V110 HydrophobicContact CG2-CG2 3.29Å; L107-V110 WeakPolarHBondContact O-CB 3.36Å; L107-V110 PolarHBondContact O-N 2.84Å; T108-V110 PolarHBondContact O-N 3.33Å |
| 111 | L | 75.1 | Confident | 67.9 | Low | 81 Ų | 81 | 70.5 Ų | 70.5 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -14.9 | -174.3 | -56.8 | 177.8 | 0 | 0 | 0 | 112.9 | N69 L71 T108 Q109 | N69-L111 PolarHBondContact ND2-O 3.15Å; L71-L111 HydrophobicContact CD1-CB 4.04Å; T108-L111 WeakPolarHBondContact O-CB 3.23Å; T108-L111 PolarHBondContact O-N 3.49Å; Q109-L111 PolarHBondContact O-N 3.3Å |
| 112 | L | 71.4 | Confident | 65.6 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -71.4 | 147.2 | 177 | -68.8 | 177.7 | 0 | 0 | 0 | 111 | R61 L71 K74 C76 T108 | R61-L112 PolarHBondContact NH1-O 3.45Å; L71-L112 HydrophobicContact CB-CD2 4.17Å; L71-L112 HydrophobicContact CD1-CD2 4.5Å; K74-L112 HydrophobicContact CB-CD2 3.64Å; C76-L112 HydrophobicContact CB-CD1 4.48Å; T108-L112 PolarHBondContact O-N 3.24Å |
| 113 | P | 64.1 | Low | 63.4 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 21% | 0.214 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -55.5 | 163.2 | 169.7 | 29.8 | -39.4 | 0 | 0 | 0 | 111 | R61 L71 E72 C115 | R61-P113 VanDerWaalsContact NH1-CA 3.34Å; L71-P113 WeakPolarHBondContact O-CD 3.37Å; E72-P113 WeakPolarHBondContact O-CG 3.38Å; P113-C115 PolarHBondContact O-N 3.34Å |
| 114 | S | 61.8 | Low | 61.4 | Low | 111 Ų | 111 | 73.3 Ų | 73.3 | 78% | 0.776 | 43% | 0.428 | S | S | * | . | trans | -35.4 | 100.5 | -174.9 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | P116 | S114-P116 WeakPolarHBondContact O-CD 3.26Š| ||
| 115 | C | 59.7 | Low | 59.4 | Low | 26 Ų | 26 | 74.6 Ų | 74.6 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | trans | -67.7 | 112.9 | 172.7 | -64.2 | 0 | 0 | 0 | 0 | 106.8 | C76 P113 Y117 | C76-C115 HydrophobicContact CB-CB 3.58Å; C76-C115 WeakPolarHBondContact CB-SG 3.43Å; C76-C115 WeakPolarHBondContact SG-CA 3.28Å; C76-C115 WeakPolarHBondContact SG-CB 3.36Å; C76-C115 CovalentContact SG-SG 2.02Å; C76-C115 PolarHBondContact SG-SG 2.84Å; P113-C115 PolarHBondContact O-N 3.34Å; C115-Y117 PolarHBondContact O-N 2.91Å | ||
| 116 | P | 50.8 | Low | 57.9 | Low | 111 Ų | 111 | 77.1 Ų | 77.1 | 72% | 0.721 | 45% | 0.452 | S | S | * | . | trans | -63 | 115.5 | 172.7 | 26.5 | -30.1 | 0 | 0 | 0 | 106.7 | S114 V118 | S114-P116 WeakPolarHBondContact O-CD 3.26Å; P116-V118 PolarHBondContact O-N 3.43Å | ||
| 117 | Y | 46.3 | Very low | 57 | Low | 132 Ų | 132 | 80.9 Ų | 80.9 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | trans | -57.2 | 118.5 | 168.2 | 174.5 | -141.9 | 0 | 0 | 0 | 107.7 | L55 C115 D119 | L55-Y117 HydrophobicContact CD1-CD2 3.78Å; L55-Y117 HydrophobicContact CD1-CE2 3.34Å; L55-Y117 HydrophobicContact CD2-CD2 3.26Å; L55-Y117 HydrophobicContact CD2-CE2 3.81Å; L55-Y117 HydrophobicContact CD2-CG 4.18Å; L55-Y117 HydrophobicContact CG-CD2 4.09Å; L55-Y117 HydrophobicContact CG-CE2 4.13Å; C115-Y117 PolarHBondContact O-N 2.91Å; Y117-D119 WeakPolarHBondContact CD1-OD1 3.37Å; Y117-D119 HydrophobicContact CE1-CB 4.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.37Å; Y117-D119 VanDerWaalsContact CE2-CA 3.44Å; Y117-D119 HydrophobicContact CE2-CB 4.18Å; Y117-D119 VanDerWaalsContact OH-CG 3.23Å; Y117-D119 PolarHBondContact OH-OD1 3.38Å; Y117-D119 PolarHBondContact OH-OD2 3.18Å | ||
| 118 | V | 46.6 | Very low | 56.6 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 70% | 0.697 | 48% | 0.48 | S | S | * | . | trans | -103.2 | 108.5 | 157.5 | -178.9 | 0 | 0 | 0 | 0 | 104.2 | P116 P120 | P116-V118 PolarHBondContact O-N 3.43Å; V118-P120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | D | 40.3 | Very low | 56.6 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 42% | 0.422 | 47% | 0.472 | S | S | . | . | trans | -46.8 | 124.3 | 172.8 | -61.2 | 32.7 | 0 | 0 | 0 | 107.9 | Y117 I121 | Y117-D119 WeakPolarHBondContact CD1-OD1 3.37Å; Y117-D119 HydrophobicContact CE1-CB 4.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.37Å; Y117-D119 VanDerWaalsContact CE2-CA 3.44Å; Y117-D119 HydrophobicContact CE2-CB 4.18Å; Y117-D119 VanDerWaalsContact OH-CG 3.23Å; Y117-D119 PolarHBondContact OH-OD1 3.38Å; Y117-D119 PolarHBondContact OH-OD2 3.18Å; D119-I121 PolarHBondContact O-N 3.34Å | ||
| 120 | P | 39.2 | Very low | 57.1 | Low | 56 Ų | 56 | 83.8 Ų | 83.8 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | trans | -54.7 | 121.1 | 167.6 | 22.7 | -30.2 | 0 | 0 | 0 | 105.5 | V118 T122 | V118-P120 VanDerWaalsContact O-N 3.15Å; P120-T122 PolarHBondContact O-N 2.88Å | ||
| 121 | I | 44.1 | Very low | 57.8 | Low | 154 Ų | 154 | 84.8 Ų | 84.8 | 79% | 0.79 | 48% | 0.475 | S | S | * | . | trans | -38.8 | 90.7 | -173.1 | -58.9 | 168.1 | 0 | 0 | 0 | 109.2 | D119 V123 | D119-I121 PolarHBondContact O-N 3.34Å; I121-V123 VanDerWaalsContact C-N 3.3Å; I121-V123 PolarHBondContact O-N 3.46Å | ||
| 122 | T | 36.7 | Very low | 58.6 | Low | 103 Ų | 103 | 83 Ų | 83 | 63% | 0.632 | 48% | 0.476 | S | S | * | . | trans | -65.3 | 108.2 | 157.2 | 42 | 0 | 0 | 0 | 0 | 101.1 | P120 P124 | P120-T122 PolarHBondContact O-N 2.88Å; T122-P124 WeakPolarHBondContact O-CA 3.4Å; T122-P124 WeakPolarHBondContact O-CD 3.37Å | ||
| 123 | V | 41.4 | Very low | 59.6 | Low | 122 Ų | 122 | 87.2 Ų | 87.2 | 74% | 0.739 | 49% | 0.491 | S | S | * | . | trans | -40.6 | 110.4 | 165.5 | -170.6 | 0 | 0 | 0 | 0 | 104.4 | I121 S125 | I121-V123 VanDerWaalsContact C-N 3.3Å; I121-V123 PolarHBondContact O-N 3.46Å; V123-S125 PolarHBondContact O-N 3.39Å | ||
| 124 | P | 42.9 | Very low | 61.1 | Low | 61 Ų | 61 | 85.6 Ų | 85.6 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | trans | -57.7 | 122.5 | -167.5 | -25.9 | 34.8 | 0 | 0 | 0 | 105.1 | T122 V126 N385 | T122-P124 WeakPolarHBondContact O-CA 3.4Å; T122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-V126 VanDerWaalsContact C-N 3.31Å; P124-V126 PolarHBondContact O-N 2.57Å; P124-N385 WeakPolarHBondContact CB-OD1 3.3Å; P124-N385 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 125 | S | 44.8 | Very low | 62.7 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | trans | -50.5 | 113.4 | 160.7 | 49.7 | 0 | 0 | 0 | 0 | 103.5 | V123 D127 | V123-S125 PolarHBondContact O-N 3.39Å; S125-D127 VanDerWaalsContact C-N 3.26Å; S125-D127 WeakPolarHBondContact O-CA 3.19Å; S125-D127 PolarHBondContact O-N 3.44Å | ||
| 126 | V | 51.9 | Low | 64.4 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | trans | -50.1 | 101.7 | -176.3 | 175.6 | 0 | 0 | 0 | 0 | 105.8 | P124 Y128 | P124-V126 VanDerWaalsContact C-N 3.31Å; P124-V126 PolarHBondContact O-N 2.57Å; V126-Y128 PolarHBondContact O-N 3.25Å | ||
| 127 | D | 64.7 | Low | 66.5 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | trans | -73.6 | 107.2 | -173.4 | -169.5 | -2.4 | 0 | 0 | 0 | 103.9 | S125 S129 V130 | S125-D127 VanDerWaalsContact C-N 3.26Å; S125-D127 WeakPolarHBondContact O-CA 3.19Å; S125-D127 PolarHBondContact O-N 3.44Å; D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.25Å; D127-S129 PolarHBondContact OD1-N 2.99Å; D127-S129 PolarHBondContact OD1-OG 3.18Å; D127-S129 VanDerWaalsContact OD1-OG 3.1Å; D127-S129 PolarHBondContact OD2-OG 2.84Å; D127-V130 HydrophobicContact CB-CG2 4.25Å; D127-V130 WeakPolarHBondContact O-CB 3.48Å; D127-V130 PolarHBondContact O-N 3.48Å | ||
| 128 | Y | 74.9 | Confident | 68.9 | Low | 201 Ų | 201 | 76.4 Ų | 76.4 | 79% | 0.788 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.6 | -18.6 | -178.7 | -68.7 | -79.5 | 0 | 0 | 0 | 110.7 | V126 G132 | V126-Y128 PolarHBondContact O-N 3.25Å; Y128-G132 PolarHBondContact O-N 3.29Å |
| 129 | S | 79.8 | Confident | 71.1 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 169.9 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | D127 W131 G132 Y133 | D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.25Å; D127-S129 PolarHBondContact OD1-N 2.99Å; D127-S129 PolarHBondContact OD1-OG 3.18Å; D127-S129 VanDerWaalsContact OD1-OG 3.1Å; D127-S129 PolarHBondContact OD2-OG 2.84Å; S129-W131 PolarHBondContact O-N 2.89Å; S129-G132 PolarHBondContact O-N 3.44Å; S129-G132 VanDerWaalsContact O-N 3.16Å; S129-Y133 WeakPolarHBondContact O-CD2 3.23Å; S129-Y133 PolarHBondContact O-N 2.94Å |
| 130 | V | 86.9 | Confident | 73.6 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | -178.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | D127 G134 F323 T324 I381 | D127-V130 HydrophobicContact CB-CG2 4.25Å; D127-V130 WeakPolarHBondContact O-CB 3.48Å; D127-V130 PolarHBondContact O-N 3.48Å; V130-G134 PolarHBondContact O-N 3.01Å; V130-F323 HydrophobicContact CG1-CB 3.87Å; V130-T324 HydrophobicContact CG1-CG2 4.32Å; V130-I381 HydrophobicContact CG1-CD1 4.2Å; V130-I381 HydrophobicContact CG1-CG1 4.16Å; V130-I381 HydrophobicContact CG1-CG2 4.29Å |
| 131 | W | 91.3 | Very high | 76.2 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 175.2 | -70.7 | 90 | 0 | 0 | 0 | 111.4 | S129 G134 F135 V378 I381 L382 | S129-W131 PolarHBondContact O-N 2.89Å; W131-G134 PolarHBondContact O-N 3.44Å; W131-F135 HydrophobicContact CE3-CD2 4.28Å; W131-F135 AromaticContact CE3-CE2 3.65Å; W131-F135 HydrophobicContact CE3-CE2 3.65Å; W131-F135 HydrophobicContact CZ3-CE2 4.13Å; W131-F135 WeakPolarHBondContact O-CB 3.44Å; W131-F135 VanDerWaalsContact O-CD2 3.28Å; W131-F135 WeakPolarHBondContact O-CD2 3.37Å; W131-F135 PolarHBondContact O-N 3.06Å; W131-V378 HydrophobicContact CH2-CG1 4.36Å; W131-V378 HydrophobicContact CZ3-CG2 4.18Å; W131-I381 HydrophobicContact CD2-CD1 3.94Å; W131-I381 HydrophobicContact CD2-CG2 4.37Å; W131-I381 HydrophobicContact CE3-CD1 3.83Å; W131-I381 HydrophobicContact CG-CD1 4.39Å; W131-I381 HydrophobicContact CH2-CG2 4.41Å; W131-I381 HydrophobicContact CZ2-CB 4.43Å; W131-I381 HydrophobicContact CZ2-CG2 3.78Å; W131-I381 HydrophobicContact CZ3-CD1 4.24Å; W131-L382 HydrophobicContact CZ2-CD2 4.35Å |
| 132 | G | 91.9 | Very high | 78.4 | Confident | 43 Ų | 43 | 64 Ų | 64 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y128 S129 L136 | Y128-G132 PolarHBondContact O-N 3.29Å; S129-G132 PolarHBondContact O-N 3.44Å; S129-G132 VanDerWaalsContact O-N 3.16Å; G132-L136 WeakPolarHBondContact O-CB 3.24Å; G132-L136 PolarHBondContact O-N 2.9Å |
| 133 | Y | 92.3 | Very high | 80.9 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 38% | 0.376 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.1 | -67 | -54.6 | 0 | 0 | 0 | 112.2 | S129 L136 A137 F323 V327 F331 | S129-Y133 WeakPolarHBondContact O-CD2 3.23Å; S129-Y133 PolarHBondContact O-N 2.94Å; Y133-L136 PolarHBondContact O-N 3.35Å; Y133-A137 VanDerWaalsContact O-CB 3.32Å; Y133-A137 WeakPolarHBondContact O-CB 3.28Å; Y133-A137 PolarHBondContact O-N 3.37Å; Y133-F323 HydrophobicContact CG-CE1 4.37Å; Y133-V327 HydrophobicContact CD2-CG1 4.5Å; Y133-V327 HydrophobicContact CD2-CG2 4.38Å; Y133-V327 HydrophobicContact CE2-CG1 4.43Å; Y133-V327 HydrophobicContact CE2-CG2 4.31Å; Y133-F331 HydrophobicContact CD1-CE2 4.43Å; Y133-F331 AromaticContact CD1-CZ 3.99Å; Y133-F331 HydrophobicContact CD1-CZ 3.99Å; Y133-F331 HydrophobicContact CE1-CZ 4.32Å |
| 134 | G | 94.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V130 W131 L136 A137 V138 L377 | V130-G134 PolarHBondContact O-N 3.01Å; W131-G134 PolarHBondContact O-N 3.44Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.29Å; G134-A137 PolarHBondContact O-N 2.87Å; G134-V138 WeakPolarHBondContact O-CG2 3.39Å; G134-V138 PolarHBondContact O-N 3.33Å; G134-L377 VanDerWaalsContact C-CD2 3.46Å |
| 135 | F | 95.6 | Very high | 84.2 | Confident | 82 Ų | 82 | 56 Ų | 56 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.4 | -87.7 | -70.8 | 0 | 0 | 0 | 111.8 | W131 T139 Y374 L377 V378 | W131-F135 HydrophobicContact CE3-CD2 4.28Å; W131-F135 AromaticContact CE3-CE2 3.65Å; W131-F135 HydrophobicContact CE3-CE2 3.65Å; W131-F135 HydrophobicContact CZ3-CE2 4.13Å; W131-F135 WeakPolarHBondContact O-CB 3.44Å; W131-F135 VanDerWaalsContact O-CD2 3.28Å; W131-F135 WeakPolarHBondContact O-CD2 3.37Å; W131-F135 PolarHBondContact O-N 3.06Å; F135-T139 VanDerWaalsContact O-CB 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.12Å; F135-T139 PolarHBondContact O-N 3.37Å; F135-T139 PolarHBondContact O-OG1 3.34Å; F135-Y374 AromaticContact CD1-CD1 3.6Å; F135-Y374 HydrophobicContact CD1-CD1 3.6Å; F135-Y374 AromaticContact CD1-CE1 3.7Å; F135-Y374 HydrophobicContact CD1-CE1 3.7Å; F135-Y374 AromaticContact CE1-CD1 3.68Å; F135-Y374 HydrophobicContact CE1-CD1 3.68Å; F135-Y374 HydrophobicContact CE1-CE1 4.2Å; F135-L377 HydrophobicContact CD1-CD2 4.05Å; F135-L377 HydrophobicContact CD2-CD2 4.32Å; F135-L377 HydrophobicContact CE1-CD2 4.32Å; F135-L377 HydrophobicContact CG-CD2 4.02Å; F135-V378 HydrophobicContact CZ-CG2 4.45Å |
| 136 | L | 95.1 | Very high | 85.8 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 175.8 | 178.6 | 62.5 | 0 | 0 | 0 | 111.4 | G132 Y133 G134 T139 I140 | G132-L136 WeakPolarHBondContact O-CB 3.24Å; G132-L136 PolarHBondContact O-N 2.9Å; Y133-L136 PolarHBondContact O-N 3.35Å; G134-L136 VanDerWaalsContact C-N 3.32Å; G134-L136 PolarHBondContact O-N 3.29Å; L136-T139 WeakPolarHBondContact O-CB 3.39Å; L136-T139 PolarHBondContact O-N 3.02Å; L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CD1-CG1 4.46Å; L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 3.49Å |
| 137 | A | 95.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y133 G134 T139 I140 I141 I319 F323 S334 | Y133-A137 VanDerWaalsContact O-CB 3.32Å; Y133-A137 WeakPolarHBondContact O-CB 3.28Å; Y133-A137 PolarHBondContact O-N 3.37Å; G134-A137 PolarHBondContact O-N 2.87Å; A137-T139 VanDerWaalsContact C-N 3.27Å; A137-T139 PolarHBondContact O-N 3.25Å; A137-I140 WeakPolarHBondContact O-CB 3.46Å; A137-I140 PolarHBondContact O-N 3.15Å; A137-I140 VanDerWaalsContact O-N 3.09Å; A137-I141 WeakPolarHBondContact O-CG1 3.26Å; A137-I141 PolarHBondContact O-N 2.96Å; A137-I319 HydrophobicContact CB-CG2 4.4Å; A137-F323 HydrophobicContact CB-CE2 4.01Å; A137-F323 HydrophobicContact CB-CZ 4.33Å; A137-S334 WeakPolarHBondContact CB-OG 3.31Å |
| 138 | V | 95.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | G134 I140 I141 N142 I319 C373 Y374 L377 | G134-V138 WeakPolarHBondContact O-CG2 3.39Å; G134-V138 PolarHBondContact O-N 3.33Å; V138-I140 VanDerWaalsContact C-N 3.35Å; V138-I140 PolarHBondContact O-N 2.86Å; V138-I141 PolarHBondContact O-N 2.79Å; V138-N142 WeakPolarHBondContact O-CB 3.39Å; V138-N142 VanDerWaalsContact O-CG 3.31Å; V138-N142 PolarHBondContact O-N 3.15Å; V138-I319 HydrophobicContact CG2-CD1 4.12Å; V138-I319 HydrophobicContact CG2-CG2 4.44Å; V138-C373 HydrophobicContact CG1-CB 4Å; V138-Y374 HydrophobicContact CB-CD1 4.05Å; V138-Y374 HydrophobicContact CB-CE1 3.84Å; V138-Y374 HydrophobicContact CG1-CD1 3.51Å; V138-Y374 HydrophobicContact CG1-CD2 4.13Å; V138-Y374 HydrophobicContact CG1-CE1 3.47Å; V138-Y374 VanDerWaalsContact CG1-CE1 3.47Å; V138-Y374 HydrophobicContact CG1-CE2 4.11Å; V138-Y374 HydrophobicContact CG1-CG 3.85Å; V138-L377 HydrophobicContact CG2-CB 4.13Å; V138-L377 HydrophobicContact CG2-CD1 4.22Å; V138-L377 HydrophobicContact CG2-CD2 3.94Å; V138-L377 HydrophobicContact CG2-CG 4.32Å |
| 139 | T | 94.6 | Very high | 86.6 | Confident | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 174 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | F135 L136 A137 N142 L143 Y374 | F135-T139 VanDerWaalsContact O-CB 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.12Å; F135-T139 PolarHBondContact O-N 3.37Å; F135-T139 PolarHBondContact O-OG1 3.34Å; L136-T139 WeakPolarHBondContact O-CB 3.39Å; L136-T139 PolarHBondContact O-N 3.02Å; A137-T139 VanDerWaalsContact C-N 3.27Å; A137-T139 PolarHBondContact O-N 3.25Å; T139-N142 PolarHBondContact O-N 2.85Å; T139-L143 HydrophobicContact CG2-CD1 3.96Å; T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 VanDerWaalsContact O-CD1 3.25Å; T139-L143 WeakPolarHBondContact O-CD1 3.38Å; T139-L143 PolarHBondContact O-N 3.21Å; T139-Y374 WeakPolarHBondContact CA-OH 3.45Å; T139-Y374 PolarHBondContact OG1-OH 3.26Å |
| 140 | I | 92.8 | Very high | 86.2 | Confident | 89 Ų | 89 | 48 Ų | 48 | 46% | 0.456 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.7 | -69.8 | 166 | 0 | 0 | 0 | 110.8 | L136 A137 V138 L143 A144 V338 | L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CD1-CG1 4.46Å; L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 3.49Å; A137-I140 WeakPolarHBondContact O-CB 3.46Å; A137-I140 PolarHBondContact O-N 3.15Å; A137-I140 VanDerWaalsContact O-N 3.09Å; V138-I140 VanDerWaalsContact C-N 3.35Å; V138-I140 PolarHBondContact O-N 2.86Å; I140-L143 PolarHBondContact O-N 2.88Å; I140-A144 WeakPolarHBondContact O-CB 3.46Å; I140-A144 PolarHBondContact O-N 3.38Å; I140-V338 HydrophobicContact CG2-CG2 4.36Å |
| 141 | I | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -53.8 | 176 | -69.5 | 160.3 | 0 | 0 | 0 | 110.1 | A137 V138 L143 A144 S145 I319 I337 V338 E341 | A137-I141 WeakPolarHBondContact O-CG1 3.26Å; A137-I141 PolarHBondContact O-N 2.96Å; V138-I141 PolarHBondContact O-N 2.79Å; I141-L143 PolarHBondContact O-N 3.22Å; I141-A144 WeakPolarHBondContact O-CB 3.3Å; I141-A144 PolarHBondContact O-N 2.95Å; I141-S145 WeakPolarHBondContact O-CB 3.5Å; I141-S145 PolarHBondContact O-N 3.02Å; I141-I319 HydrophobicContact CD1-CD1 3.31Å; I141-I337 HydrophobicContact CD1-CB 4.28Å; I141-I337 HydrophobicContact CD1-CG2 3.84Å; I141-I337 HydrophobicContact CG1-CG2 4.38Å; I141-I337 HydrophobicContact CG2-CG2 4.26Å; I141-V338 HydrophobicContact CB-CG2 4.27Å; I141-V338 HydrophobicContact CD1-CG2 4.31Å; I141-V338 HydrophobicContact CG1-CB 4.38Å; I141-V338 HydrophobicContact CG1-CG2 3.27Å; I141-E341 HydrophobicContact CG2-CB 4.19Å; I141-E341 HydrophobicContact CG2-CG 3.7Å |
| 142 | N | 91 | Very high | 84.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -21.2 | 179.7 | -69.2 | 0.8 | 0 | 0 | 0 | 113.2 | V138 T139 S145 L146 A370 M371 Y374 | V138-N142 WeakPolarHBondContact O-CB 3.39Å; V138-N142 VanDerWaalsContact O-CG 3.31Å; V138-N142 PolarHBondContact O-N 3.15Å; T139-N142 PolarHBondContact O-N 2.85Å; N142-S145 VanDerWaalsContact O-CB 3.22Å; N142-S145 WeakPolarHBondContact O-CB 3.4Å; N142-S145 PolarHBondContact O-OG 3.47Å; N142-L146 WeakPolarHBondContact O-CD1 3.48Å; N142-L146 WeakPolarHBondContact O-CG 3.19Å; N142-L146 PolarHBondContact O-N 3.26Å; N142-A370 PolarHBondContact ND2-O 3.17Å; N142-A370 VanDerWaalsContact ND2-O 3.1Å; N142-M371 WeakPolarHBondContact ND2-CE 3.28Å; N142-Y374 WeakPolarHBondContact ND2-CE2 3.41Å |
| 143 | L | 88.3 | Confident | 84 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -81.1 | -37.2 | 170.3 | -99.9 | 69.4 | 0 | 0 | 0 | 112.3 | T139 I140 I141 S145 L146 L147 | T139-L143 HydrophobicContact CG2-CD1 3.96Å; T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 VanDerWaalsContact O-CD1 3.25Å; T139-L143 WeakPolarHBondContact O-CD1 3.38Å; T139-L143 PolarHBondContact O-N 3.21Å; I140-L143 PolarHBondContact O-N 2.88Å; I141-L143 PolarHBondContact O-N 3.22Å; L143-S145 VanDerWaalsContact C-N 3.32Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-L147 PolarHBondContact O-N 3.24Å |
| 144 | A | 82.3 | Confident | 83.2 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I140 I141 L147 | I140-A144 WeakPolarHBondContact O-CB 3.46Å; I140-A144 PolarHBondContact O-N 3.38Å; I141-A144 WeakPolarHBondContact O-CB 3.3Å; I141-A144 PolarHBondContact O-N 2.95Å; A144-L147 WeakPolarHBondContact O-CB 3.29Å; A144-L147 PolarHBondContact O-N 3.01Å |
| 145 | S | 72.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -40 | -62.2 | 158.7 | 141.8 | 0 | 0 | 0 | 0 | 113.3 | I141 N142 L143 L147 G148 E345 | I141-S145 WeakPolarHBondContact O-CB 3.5Å; I141-S145 PolarHBondContact O-N 3.02Å; N142-S145 VanDerWaalsContact O-CB 3.22Å; N142-S145 WeakPolarHBondContact O-CB 3.4Å; N142-S145 PolarHBondContact O-OG 3.47Å; L143-S145 VanDerWaalsContact C-N 3.32Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 2.79Å; S145-G148 PolarHBondContact O-N 3.41Å; S145-G148 VanDerWaalsContact O-N 3.16Å; S145-E345 VanDerWaalsContact CA-CD 3.45Å; S145-E345 WeakPolarHBondContact CA-OE2 3.49Å; S145-E345 WeakPolarHBondContact CB-OE1 3.31Å; S145-E345 WeakPolarHBondContact CB-OE2 3.39Å; S145-E345 PolarHBondContact OG-OE1 3.2Å; S145-E345 PolarHBondContact OG-OE2 3.41Å |
| 146 | L | 78.6 | Confident | 81.4 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -25.2 | 177.7 | -71.9 | 164.3 | 0 | 0 | 0 | 114.1 | N142 L143 G148 L149 V363 L367 | N142-L146 WeakPolarHBondContact O-CD1 3.48Å; N142-L146 WeakPolarHBondContact O-CG 3.19Å; N142-L146 PolarHBondContact O-N 3.26Å; L143-L146 PolarHBondContact O-N 3.04Å; L146-G148 PolarHBondContact O-N 2.7Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 2.79Å; L146-L149 VanDerWaalsContact O-N 3.07Å; L146-V363 HydrophobicContact CD2-CG1 4.38Å; L146-L367 HydrophobicContact CD1-CD1 4.27Å; L146-L367 HydrophobicContact CD2-CD1 4.45Å |
| 147 | L | 72.6 | Confident | 80.9 | Confident | 86 Ų | 86 | 58 Ų | 58 | 45% | 0.45 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -25.5 | 176.1 | -103.5 | 137.4 | 0 | 0 | 0 | 112.3 | L143 A144 S145 L149 L150 L151 | L143-L147 PolarHBondContact O-N 3.24Å; A144-L147 WeakPolarHBondContact O-CB 3.29Å; A144-L147 PolarHBondContact O-N 3.01Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 2.79Å; L147-L149 PolarHBondContact O-N 3.03Å; L147-L150 HydrophobicContact CD2-CD1 4.14Å; L147-L150 HydrophobicContact CG-CD1 4.3Å; L147-L150 WeakPolarHBondContact O-CB 3.39Å; L147-L150 PolarHBondContact O-N 3.32Å; L147-L151 PolarHBondContact O-N 3.15Å |
| 148 | G | 67.2 | Low | 80.3 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.6 | -33.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | S145 L146 L151 | S145-G148 PolarHBondContact O-N 3.41Å; S145-G148 VanDerWaalsContact O-N 3.16Å; L146-G148 PolarHBondContact O-N 2.7Å; G148-L151 WeakPolarHBondContact O-CB 3.26Å; G148-L151 PolarHBondContact O-N 3.38Å; G148-L151 VanDerWaalsContact O-N 3.15Å |
| 149 | L | 68.6 | Low | 79.8 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 175.8 | -173.2 | 71 | 0 | 0 | 0 | 112.3 | L146 L147 L151 I152 F349 V359 V363 | L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 2.79Å; L146-L149 VanDerWaalsContact O-N 3.07Å; L147-L149 PolarHBondContact O-N 3.03Å; L149-L151 PolarHBondContact O-N 3.04Å; L149-I152 HydrophobicContact CD1-CD1 3.33Å; L149-I152 HydrophobicContact CG-CD1 4.18Å; L149-I152 WeakPolarHBondContact O-CB 3.3Å; L149-I152 WeakPolarHBondContact O-CD1 3.41Å; L149-I152 VanDerWaalsContact O-CG1 3.3Å; L149-I152 WeakPolarHBondContact O-CG1 3.19Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-F349 HydrophobicContact CD1-CE2 4.21Å; L149-F349 HydrophobicContact CD1-CZ 4.07Å; L149-V359 HydrophobicContact CD1-CG1 4.01Å; L149-V363 HydrophobicContact CD1-CG2 3.57Å; L149-V363 HydrophobicContact CD2-CG2 4.04Å; L149-V363 HydrophobicContact CG-CG2 4.37Å |
| 150 | L | 70.1 | Confident | 79.4 | Confident | 118 Ų | 118 | 67 Ų | 67 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.7 | -19 | 176 | -64.5 | 176.4 | 0 | 0 | 0 | 111.8 | L147 P153 | L147-L150 HydrophobicContact CD2-CD1 4.14Å; L147-L150 HydrophobicContact CG-CD1 4.3Å; L147-L150 WeakPolarHBondContact O-CB 3.39Å; L147-L150 PolarHBondContact O-N 3.32Å; L150-P153 VanDerWaalsContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CD 3.41Å; L150-P153 WeakPolarHBondContact O-CG 3.43Å |
| 151 | L | 72.1 | Confident | 79.1 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.7 | -180 | -64.5 | 176.4 | 0 | 0 | 0 | 114.4 | L147 G148 L149 F154 T155 F342 L346 | L147-L151 PolarHBondContact O-N 3.15Å; G148-L151 WeakPolarHBondContact O-CB 3.26Å; G148-L151 PolarHBondContact O-N 3.38Å; G148-L151 VanDerWaalsContact O-N 3.15Å; L149-L151 PolarHBondContact O-N 3.04Å; L151-F154 HydrophobicContact CD2-CD2 3.92Å; L151-F154 CarbonylContact O-C 3.5Å; L151-F154 VanDerWaalsContact O-CA 3.29Å; L151-F154 WeakPolarHBondContact O-CA 3.21Å; L151-F154 VanDerWaalsContact O-CB 3.3Å; L151-F154 WeakPolarHBondContact O-CB 3.49Å; L151-F154 PolarHBondContact O-N 2.86Å; L151-T155 PolarHBondContact O-N 2.95Å; L151-F342 HydrophobicContact CD1-CE1 4.48Å; L151-F342 HydrophobicContact CD1-CE2 3.52Å; L151-F342 HydrophobicContact CD1-CZ 3.25Å; L151-L346 HydrophobicContact CB-CD1 4.46Å |
| 152 | I | 74.1 | Confident | 79 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -51.3 | -47.1 | 172.9 | -63.5 | 171.8 | 0 | 0 | 0 | 114.2 | L149 F154 T155 F349 | L149-I152 HydrophobicContact CD1-CD1 3.33Å; L149-I152 HydrophobicContact CG-CD1 4.18Å; L149-I152 WeakPolarHBondContact O-CB 3.3Å; L149-I152 WeakPolarHBondContact O-CD1 3.41Å; L149-I152 VanDerWaalsContact O-CG1 3.3Å; L149-I152 WeakPolarHBondContact O-CG1 3.19Å; L149-I152 PolarHBondContact O-N 3.46Å; I152-F154 PolarHBondContact O-N 2.89Å; I152-F154 VanDerWaalsContact O-N 3.17Å; I152-T155 PolarHBondContact O-N 2.95Å; I152-T155 PolarHBondContact O-OG1 3.29Å; I152-F349 HydrophobicContact CD1-CD1 4.32Å; I152-F349 HydrophobicContact CD1-CE1 3.29Å; I152-F349 HydrophobicContact CD1-CE2 4.5Å; I152-F349 HydrophobicContact CD1-CZ 3.4Å; I152-F349 HydrophobicContact CG1-CD1 4.5Å; I152-F349 HydrophobicContact CG1-CE1 3.76Å; I152-F349 HydrophobicContact CG1-CZ 4.36Å |
| 153 | P | 77.6 | Confident | 78.9 | Confident | 84 Ų | 84 | 71 Ų | 71 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -23.4 | 176 | 22.4 | -33 | 0 | 0 | 0 | 112.6 | L150 | L150-P153 VanDerWaalsContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CD 3.41Å; L150-P153 WeakPolarHBondContact O-CG 3.43Å |
| 154 | F | 77 | Confident | 78.9 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -88.3 | -20.7 | 178.9 | -60.1 | -77 | 0 | 0 | 0 | 113.3 | L151 I152 K156 K157 Y159 F160 | L151-F154 HydrophobicContact CD2-CD2 3.92Å; L151-F154 CarbonylContact O-C 3.5Å; L151-F154 VanDerWaalsContact O-CA 3.29Å; L151-F154 WeakPolarHBondContact O-CA 3.21Å; L151-F154 VanDerWaalsContact O-CB 3.3Å; L151-F154 WeakPolarHBondContact O-CB 3.49Å; L151-F154 PolarHBondContact O-N 2.86Å; I152-F154 PolarHBondContact O-N 2.89Å; I152-F154 VanDerWaalsContact O-N 3.17Å; F154-K156 PolarHBondContact O-N 3.5Å; F154-K156 VanDerWaalsContact O-N 3.14Å; F154-K157 VanDerWaalsContact O-CB 3.26Å; F154-K157 WeakPolarHBondContact O-CB 3.39Å; F154-K157 PolarHBondContact O-N 3.08Å; F154-Y159 VanDerWaalsContact CD1-OH 3.28Å; F154-Y159 WeakPolarHBondContact CD1-OH 3.42Å; F154-F160 WeakPolarHBondContact O-CB 3.18Å |
| 155 | T | 74.4 | Confident | 79.4 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.4 | -29.2 | 176.3 | 63 | 0 | 0 | 0 | 0 | 112.8 | L151 I152 K157 F160 | L151-T155 PolarHBondContact O-N 2.95Å; I152-T155 PolarHBondContact O-N 2.95Å; I152-T155 PolarHBondContact O-OG1 3.29Å; T155-K157 PolarHBondContact O-N 3.42Å; T155-F160 HydrophobicContact CG2-CD1 4.33Å; T155-F160 HydrophobicContact CG2-CD2 4.39Å; T155-F160 HydrophobicContact CG2-CE1 3.83Å; T155-F160 HydrophobicContact CG2-CE2 3.9Å; T155-F160 HydrophobicContact CG2-CZ 3.62Å |
| 156 | K | 76.5 | Confident | 80.4 | Confident | 184 Ų | 184 | 70.2 Ų | 70.2 | 80% | 0.8 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.5 | 177.7 | -60.4 | -174.4 | -179.3 | -177.7 | 0 | 113.8 | F154 | F154-K156 PolarHBondContact O-N 3.5Å; F154-K156 VanDerWaalsContact O-N 3.14Å |
| 157 | K | 86.1 | Confident | 81.1 | Confident | 104 Ų | 104 | 70 Ų | 70 | 45% | 0.452 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -86.5 | 146.4 | -177 | -62.6 | -68.7 | -173.4 | 178.7 | 0 | 110.9 | F154 T155 Y159 F160 | F154-K157 VanDerWaalsContact O-CB 3.26Å; F154-K157 WeakPolarHBondContact O-CB 3.39Å; F154-K157 PolarHBondContact O-N 3.08Å; T155-K157 PolarHBondContact O-N 3.42Å; K157-Y159 HydrophobicContact CB-CD1 3.76Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CB-CE2 4.28Å; K157-Y159 HydrophobicContact CB-CG 4.36Å; K157-Y159 HydrophobicContact CD-CE1 4.21Å; K157-Y159 HydrophobicContact CG-CE1 3.75Å; K157-Y159 PolarHBondContact O-N 2.81Å; K157-Y159 VanDerWaalsContact O-N 3.16Å; K157-F160 WeakPolarHBondContact O-CB 3.42Å; K157-F160 PolarHBondContact O-N 3.42Å; K157-F160 VanDerWaalsContact O-N 3.11Å |
| 158 | P | 82.8 | Confident | 82.1 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 79% | 0.792 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.8 | -176 | 27.2 | -35.8 | 0 | 0 | 0 | 114.2 | ||
| 159 | Y | 85 | Confident | 83.4 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -10.4 | 177.6 | 61.4 | -98.9 | 0 | 0 | 0 | 113.4 | F154 K157 Q162 V163 | F154-Y159 VanDerWaalsContact CD1-OH 3.28Å; F154-Y159 WeakPolarHBondContact CD1-OH 3.42Å; K157-Y159 HydrophobicContact CB-CD1 3.76Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CB-CE2 4.28Å; K157-Y159 HydrophobicContact CB-CG 4.36Å; K157-Y159 HydrophobicContact CD-CE1 4.21Å; K157-Y159 HydrophobicContact CG-CE1 3.75Å; K157-Y159 PolarHBondContact O-N 2.81Å; K157-Y159 VanDerWaalsContact O-N 3.16Å; Y159-Q162 WeakPolarHBondContact O-CB 3.39Å; Y159-Q162 PolarHBondContact O-N 3.09Å; Y159-V163 HydrophobicContact CD2-CG2 4.11Å; Y159-V163 PolarHBondContact O-N 3.17Å |
| 160 | F | 86.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | -175.6 | -178.5 | -95.2 | 0 | 0 | 0 | 113.7 | F154 T155 K157 Q162 V163 L164 L346 | F154-F160 WeakPolarHBondContact O-CB 3.18Å; T155-F160 HydrophobicContact CG2-CD1 4.33Å; T155-F160 HydrophobicContact CG2-CD2 4.39Å; T155-F160 HydrophobicContact CG2-CE1 3.83Å; T155-F160 HydrophobicContact CG2-CE2 3.9Å; T155-F160 HydrophobicContact CG2-CZ 3.62Å; K157-F160 WeakPolarHBondContact O-CB 3.42Å; K157-F160 PolarHBondContact O-N 3.42Å; K157-F160 VanDerWaalsContact O-N 3.11Å; F160-Q162 PolarHBondContact O-N 3.44Å; F160-V163 PolarHBondContact O-N 2.78Å; F160-V163 VanDerWaalsContact O-N 3.12Å; F160-L164 HydrophobicContact CE1-CB 4.3Å; F160-L164 HydrophobicContact CE1-CD2 4.06Å; F160-L164 WeakPolarHBondContact O-CB 3.17Å; F160-L164 PolarHBondContact O-N 2.89Å; F160-L346 HydrophobicContact CE1-CD2 4.2Å; F160-L346 HydrophobicContact CE2-CD1 4.23Å; F160-L346 HydrophobicContact CZ-CD1 3.71Å; F160-L346 HydrophobicContact CZ-CD2 3.77Å; F160-L346 HydrophobicContact CZ-CG 4.38Å |
| 161 | P | 86.7 | Confident | 85.9 | Confident | 46 Ų | 46 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -31.2 | 177.4 | -23.9 | 35.1 | 0 | 0 | 0 | 113.1 | T165 I415 F428 | P161-T165 WeakPolarHBondContact O-CB 3.19Å; P161-T165 PolarHBondContact O-N 2.71Å; P161-T165 PolarHBondContact O-OG1 3.03Å; P161-I415 HydrophobicContact CB-CG2 4.45Å; P161-F428 HydrophobicContact CB-CE1 4.23Å; P161-F428 HydrophobicContact CB-CZ 4.06Å |
| 162 | Q | 90 | Very high | 87.1 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 175.7 | -66.6 | 177.9 | -36 | 0 | 0 | 111.1 | Y159 F160 T165 Y166 F428 I431 | Y159-Q162 WeakPolarHBondContact O-CB 3.39Å; Y159-Q162 PolarHBondContact O-N 3.09Å; F160-Q162 PolarHBondContact O-N 3.44Å; Q162-T165 PolarHBondContact O-N 2.84Å; Q162-Y166 PolarHBondContact O-N 3.22Å; Q162-Y166 VanDerWaalsContact O-N 3.1Å; Q162-F428 HydrophobicContact CG-CE2 4.02Å; Q162-F428 HydrophobicContact CG-CZ 3.89Å; Q162-I431 HydrophobicContact CB-CD1 3.77Å; Q162-I431 HydrophobicContact CG-CD1 4.03Å; Q162-I431 WeakPolarHBondContact O-CG2 3.44Å |
| 163 | V | 89.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | Y159 F160 T165 Y166 F167 | Y159-V163 HydrophobicContact CD2-CG2 4.11Å; Y159-V163 PolarHBondContact O-N 3.17Å; F160-V163 PolarHBondContact O-N 2.78Å; F160-V163 VanDerWaalsContact O-N 3.12Å; V163-T165 PolarHBondContact O-N 2.68Å; V163-Y166 WeakPolarHBondContact O-CB 3.12Å; V163-Y166 PolarHBondContact O-N 2.8Å; V163-F167 HydrophobicContact CG1-CD2 3.73Å; V163-F167 HydrophobicContact CG1-CE2 3.53Å; V163-F167 VanDerWaalsContact O-CD2 3.23Å; V163-F167 WeakPolarHBondContact O-CD2 3.45Å; V163-F167 PolarHBondContact O-N 3.15Å; V163-F167 VanDerWaalsContact O-N 3.11Å |
| 164 | L | 88.4 | Confident | 89 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.4 | -175.5 | 61.7 | 0 | 0 | 0 | 111.7 | F160 Y166 F167 I168 P343 L346 I415 | F160-L164 HydrophobicContact CE1-CB 4.3Å; F160-L164 HydrophobicContact CE1-CD2 4.06Å; F160-L164 WeakPolarHBondContact O-CB 3.17Å; F160-L164 PolarHBondContact O-N 2.89Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.37Å; L164-F167 PolarHBondContact O-N 3.15Å; L164-F167 VanDerWaalsContact O-N 3.13Å; L164-I168 HydrophobicContact CD1-CD1 4.27Å; L164-I168 HydrophobicContact CD1-CG1 4.34Å; L164-I168 HydrophobicContact CD2-CD1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 2.91Å; L164-I168 PolarHBondContact O-N 2.78Å; L164-P343 HydrophobicContact CD1-CB 4.38Å; L164-L346 HydrophobicContact CD1-CD2 4.11Å; L164-L346 HydrophobicContact CD2-CD2 4.37Å; L164-I415 HydrophobicContact CD2-CD1 4.19Å |
| 165 | T | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 176 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | P161 Q162 V163 G169 M412 F428 I431 Q432 | P161-T165 WeakPolarHBondContact O-CB 3.19Å; P161-T165 PolarHBondContact O-N 2.71Å; P161-T165 PolarHBondContact O-OG1 3.03Å; Q162-T165 PolarHBondContact O-N 2.84Å; V163-T165 PolarHBondContact O-N 2.68Å; T165-G169 PolarHBondContact O-N 3.2Å; T165-M412 HydrophobicContact CG2-CG 4.27Å; T165-F428 HydrophobicContact CG2-CD1 4.06Å; T165-F428 WeakPolarHBondContact OG1-CD1 3.33Å; T165-F428 WeakPolarHBondContact OG1-CE1 3.47Å; T165-I431 HydrophobicContact CG2-CG2 4.13Å; T165-Q432 HydrophobicContact CG2-CG 3.44Å; T165-Q432 VanDerWaalsContact CG2-CG 3.44Å |
| 166 | Y | 94.3 | Very high | 90.9 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 175 | 176.6 | -97.2 | 0 | 0 | 0 | 111.5 | Q162 V163 L164 G169 L170 A434 | Q162-Y166 PolarHBondContact O-N 3.22Å; Q162-Y166 VanDerWaalsContact O-N 3.1Å; V163-Y166 WeakPolarHBondContact O-CB 3.12Å; V163-Y166 PolarHBondContact O-N 2.8Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.37Å; Y166-G169 PolarHBondContact O-N 3.45Å; Y166-L170 HydrophobicContact CE1-CD2 4.36Å; Y166-L170 WeakPolarHBondContact O-CB 3.04Å; Y166-L170 PolarHBondContact O-N 2.87Å; Y166-A434 HydrophobicContact CD2-CB 4.38Å; Y166-A434 HydrophobicContact CE2-CB 4.28Å |
| 167 | F | 92.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 27% | 0.268 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.7 | -38.9 | -179.2 | -78.6 | -69.8 | 0 | 0 | 0 | 113 | V163 L164 G169 L170 A171 F342 | V163-F167 HydrophobicContact CG1-CD2 3.73Å; V163-F167 HydrophobicContact CG1-CE2 3.53Å; V163-F167 VanDerWaalsContact O-CD2 3.23Å; V163-F167 WeakPolarHBondContact O-CD2 3.45Å; V163-F167 PolarHBondContact O-N 3.15Å; V163-F167 VanDerWaalsContact O-N 3.11Å; L164-F167 PolarHBondContact O-N 3.15Å; L164-F167 VanDerWaalsContact O-N 3.13Å; F167-G169 VanDerWaalsContact C-N 3.35Å; F167-L170 HydrophobicContact CD1-CD2 4.11Å; F167-L170 HydrophobicContact CE1-CD2 4.44Å; F167-L170 WeakPolarHBondContact O-CB 3.41Å; F167-L170 PolarHBondContact O-N 3.13Å; F167-A171 WeakPolarHBondContact O-CB 3.48Å; F167-A171 PolarHBondContact O-N 3.05Å; F167-F342 HydrophobicContact CB-CD1 4.03Å; F167-F342 HydrophobicContact CB-CE1 4.12Å; F167-F342 AromaticContact CD1-CD1 3.82Å; F167-F342 HydrophobicContact CD1-CD1 3.82Å; F167-F342 AromaticContact CD1-CE1 3.95Å; F167-F342 HydrophobicContact CD1-CE1 3.95Å; F167-F342 HydrophobicContact CD2-CD1 4.15Å; F167-F342 AromaticContact CD2-CE1 3.5Å; F167-F342 HydrophobicContact CD2-CE1 3.5Å; F167-F342 HydrophobicContact CD2-CZ 4.4Å; F167-F342 HydrophobicContact CE1-CD1 4.29Å; F167-F342 HydrophobicContact CE1-CE1 4.22Å; F167-F342 AromaticContact CE2-CE1 3.79Å; F167-F342 HydrophobicContact CE2-CE1 3.79Å; F167-F342 HydrophobicContact CE2-CZ 4.3Å; F167-F342 AromaticContact CG-CD1 3.75Å; F167-F342 HydrophobicContact CG-CD1 3.75Å; F167-F342 AromaticContact CG-CE1 3.6Å; F167-F342 HydrophobicContact CG-CE1 3.6Å; F167-F342 HydrophobicContact CZ-CE1 4.14Å |
| 168 | I | 93.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 172.8 | -62.9 | 167.4 | 0 | 0 | 0 | 110 | L164 L170 A171 I172 P343 M408 E411 M412 I415 | L164-I168 HydrophobicContact CD1-CD1 4.27Å; L164-I168 HydrophobicContact CD1-CG1 4.34Å; L164-I168 HydrophobicContact CD2-CD1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 2.91Å; L164-I168 PolarHBondContact O-N 2.78Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.01Å; I168-A171 WeakPolarHBondContact O-CB 3.34Å; I168-A171 PolarHBondContact O-N 3.18Å; I168-I172 HydrophobicContact CG2-CD1 4.01Å; I168-I172 WeakPolarHBondContact O-CD1 3.09Å; I168-I172 VanDerWaalsContact O-CG1 3.28Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 3.32Å; I168-P343 HydrophobicContact CG1-CB 3.75Å; I168-M408 HydrophobicContact CG2-CB 4.22Å; I168-M408 WeakPolarHBondContact CG2-O 3.39Å; I168-M408 HydrophobicContact CG2-SD 4.41Å; I168-E411 HydrophobicContact CD1-CG 4.26Å; I168-M412 HydrophobicContact CG2-CB 3.67Å; I168-M412 HydrophobicContact CG2-CG 4.15Å; I168-I415 HydrophobicContact CD1-CD1 3.51Å |
| 169 | G | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T165 Y166 F167 I172 G173 M412 G435 L436 | T165-G169 PolarHBondContact O-N 3.2Å; Y166-G169 PolarHBondContact O-N 3.45Å; F167-G169 VanDerWaalsContact C-N 3.35Å; G169-I172 PolarHBondContact O-N 3.46Å; G169-G173 PolarHBondContact O-N 2.88Å; G169-M412 VanDerWaalsContact CA-SD 3.56Å; G169-G435 VanDerWaalsContact C-C 3.44Å; G169-G435 CarbonylContact O-C 3.59Å; G169-L436 VanDerWaalsContact O-CA 3.24Å; G169-L436 WeakPolarHBondContact O-CA 3.48Å; G169-L436 PolarHBondContact O-N 3.32Å |
| 170 | L | 95.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 19.6 Ų | 19.6 | 7% | 0.073 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.4 | -176.7 | 70.8 | 0 | 0 | 0 | 111.2 | Y166 F167 I168 G173 T174 C339 G435 T438 I442 | Y166-L170 HydrophobicContact CE1-CD2 4.36Å; Y166-L170 WeakPolarHBondContact O-CB 3.04Å; Y166-L170 PolarHBondContact O-N 2.87Å; F167-L170 HydrophobicContact CD1-CD2 4.11Å; F167-L170 HydrophobicContact CE1-CD2 4.44Å; F167-L170 WeakPolarHBondContact O-CB 3.41Å; F167-L170 PolarHBondContact O-N 3.13Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.01Å; L170-G173 PolarHBondContact O-N 3.06Å; L170-T174 PolarHBondContact O-N 3.48Å; L170-T174 PolarHBondContact O-OG1 3.25Å; L170-C339 HydrophobicContact CD2-CB 4.41Å; L170-C339 HydrophobicContact CG-CB 4.36Å; L170-G435 WeakPolarHBondContact CA-O 3.38Å; L170-T438 HydrophobicContact CD1-CG2 3.9Å; L170-I442 HydrophobicContact CD1-CD1 4.15Å |
| 171 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F167 I168 G173 T174 L175 C339 E340 P343 | F167-A171 WeakPolarHBondContact O-CB 3.48Å; F167-A171 PolarHBondContact O-N 3.05Å; I168-A171 WeakPolarHBondContact O-CB 3.34Å; I168-A171 PolarHBondContact O-N 3.18Å; A171-G173 PolarHBondContact O-N 3.44Å; A171-T174 PolarHBondContact O-N 3.24Å; A171-T174 PolarHBondContact O-OG1 3.23Å; A171-T174 VanDerWaalsContact O-OG1 3.06Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.14Å; A171-C339 WeakPolarHBondContact CB-O 3.49Å; A171-E340 HydrophobicContact CB-CB 4.07Å; A171-P343 HydrophobicContact CB-CG 3.93Å |
| 172 | I | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 176.7 | -61.8 | 159.6 | 0 | 0 | 0 | 109.9 | I168 G169 F176 A404 M408 F409 M412 L436 | I168-I172 HydrophobicContact CG2-CD1 4.01Å; I168-I172 WeakPolarHBondContact O-CD1 3.09Å; I168-I172 VanDerWaalsContact O-CG1 3.28Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 3.32Å; G169-I172 PolarHBondContact O-N 3.46Å; I172-F176 WeakPolarHBondContact O-CB 3.27Å; I172-F176 PolarHBondContact O-N 3.37Å; I172-F176 VanDerWaalsContact O-N 3.08Å; I172-A404 HydrophobicContact CG2-CB 4.41Å; I172-M408 HydrophobicContact CD1-CB 4.18Å; I172-M408 HydrophobicContact CG1-CB 3.6Å; I172-F409 HydrophobicContact CD1-CB 3.98Å; I172-F409 HydrophobicContact CD1-CD2 4.32Å; I172-M412 HydrophobicContact CD1-CB 4.07Å; I172-M412 HydrophobicContact CD1-CE 3.79Å; I172-M412 HydrophobicContact CD1-CG 4.49Å; I172-M412 HydrophobicContact CD1-SD 3.77Å; I172-L436 HydrophobicContact CB-CD1 4.02Å; I172-L436 HydrophobicContact CG2-CD1 3.62Å |
| 173 | G | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G169 L170 A171 S177 | G169-G173 PolarHBondContact O-N 2.88Å; L170-G173 PolarHBondContact O-N 3.06Å; A171-G173 PolarHBondContact O-N 3.44Å; G173-S177 WeakPolarHBondContact O-CB 3.43Å; G173-S177 PolarHBondContact O-N 3.09Å; G173-S177 PolarHBondContact O-OG 3.07Å |
| 174 | T | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | -179.4 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | L170 A171 S177 N178 C339 I443 | L170-T174 PolarHBondContact O-N 3.48Å; L170-T174 PolarHBondContact O-OG1 3.25Å; A171-T174 PolarHBondContact O-N 3.24Å; A171-T174 PolarHBondContact O-OG1 3.23Å; A171-T174 VanDerWaalsContact O-OG1 3.06Å; T174-S177 PolarHBondContact O-N 3.37Å; T174-N178 WeakPolarHBondContact O-CB 3.49Å; T174-N178 PolarHBondContact O-N 3Å; T174-C339 HydrophobicContact CG2-CB 4.09Å; T174-C339 WeakPolarHBondContact OG1-CB 3.49Å; T174-I443 HydrophobicContact CG2-CG1 4.28Å |
| 175 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.4 | -50.2 | -176.5 | -67.6 | 170.3 | 0 | 0 | 0 | 113.7 | A171 S177 N178 A179 E340 F400 I403 A404 | A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.14Å; L175-S177 PolarHBondContact O-N 3Å; L175-N178 PolarHBondContact O-N 3.32Å; L175-A179 WeakPolarHBondContact O-CB 3.45Å; L175-A179 PolarHBondContact O-N 3.19Å; L175-E340 HydrophobicContact CD1-CB 3.61Å; L175-E340 HydrophobicContact CD1-CG 4.25Å; L175-E340 WeakPolarHBondContact CD1-OE2 3.06Å; L175-E340 HydrophobicContact CD2-CB 4.01Å; L175-E340 HydrophobicContact CD2-CG 4.07Å; L175-E340 WeakPolarHBondContact CD2-OE1 3.23Å; L175-E340 WeakPolarHBondContact CD2-OE2 3.49Å; L175-E340 HydrophobicContact CG-CB 3.92Å; L175-E340 HydrophobicContact CG-CG 4.49Å; L175-F400 HydrophobicContact CD2-CD2 3.84Å; L175-F400 HydrophobicContact CD2-CE2 4.08Å; L175-F400 HydrophobicContact CD2-CG 4.07Å; L175-I403 HydrophobicContact CD1-CB 4.5Å; L175-I403 HydrophobicContact CD1-CG2 3.99Å; L175-A404 HydrophobicContact CB-CB 3.95Å; L175-A404 HydrophobicContact CD1-CB 4.28Å |
| 176 | F | 96.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 5% | 0.048 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 178.3 | -177.4 | -72.7 | 0 | 0 | 0 | 109.6 | I172 A179 V180 I204 F205 F208 L401 A404 L405 | I172-F176 WeakPolarHBondContact O-CB 3.27Å; I172-F176 PolarHBondContact O-N 3.37Å; I172-F176 VanDerWaalsContact O-N 3.08Å; F176-A179 PolarHBondContact O-N 2.74Å; F176-V180 HydrophobicContact CD1-CG2 4.1Å; F176-V180 HydrophobicContact CE1-CB 4.45Å; F176-V180 HydrophobicContact CE1-CG2 3.78Å; F176-V180 HydrophobicContact CZ-CG2 4.24Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.1Å; F176-I204 HydrophobicContact CE1-CG2 4.39Å; F176-I204 HydrophobicContact CZ-CG2 4.19Å; F176-F205 AromaticContact CD1-CD2 3.56Å; F176-F205 HydrophobicContact CD1-CD2 3.56Å; F176-F205 HydrophobicContact CD1-CE2 4.29Å; F176-F205 HydrophobicContact CE1-CB 4.07Å; F176-F205 AromaticContact CE1-CD2 3.82Å; F176-F205 HydrophobicContact CE1-CD2 3.82Å; F176-F205 HydrophobicContact CE1-CG 4.41Å; F176-F205 HydrophobicContact CG-CD2 4.44Å; F176-F208 HydrophobicContact CE2-CB 4.35Å; F176-F208 HydrophobicContact CE2-CD1 4.42Å; F176-F208 HydrophobicContact CE2-CD2 4.45Å; F176-F208 HydrophobicContact CE2-CG 4.15Å; F176-F208 HydrophobicContact CZ-CB 4.02Å; F176-F208 HydrophobicContact CZ-CD1 4.5Å; F176-F208 HydrophobicContact CZ-CG 4.25Å; F176-L401 HydrophobicContact CD2-CD2 3.69Å; F176-L401 HydrophobicContact CE2-CD2 3.89Å; F176-L401 HydrophobicContact CG-CD2 4.18Å; F176-A404 HydrophobicContact CB-CB 4.27Å; F176-L405 HydrophobicContact CD2-CD1 4.2Å; F176-L405 HydrophobicContact CD2-CD2 3.83Å; F176-L405 HydrophobicContact CD2-CG 4.1Å; F176-L405 HydrophobicContact CE2-CD1 4.04Å; F176-L405 HydrophobicContact CE2-CD2 4.05Å; F176-L405 HydrophobicContact CE2-CG 4.37Å |
| 177 | S | 95.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | G173 T174 L175 A179 V180 L181 F440 | G173-S177 WeakPolarHBondContact O-CB 3.43Å; G173-S177 PolarHBondContact O-N 3.09Å; G173-S177 PolarHBondContact O-OG 3.07Å; T174-S177 PolarHBondContact O-N 3.37Å; L175-S177 PolarHBondContact O-N 3Å; S177-A179 VanDerWaalsContact C-N 3.34Å; S177-A179 PolarHBondContact O-N 2.91Å; S177-V180 PolarHBondContact O-N 3.3Å; S177-L181 WeakPolarHBondContact O-CA 3.38Å; S177-L181 WeakPolarHBondContact O-CB 3.43Å; S177-L181 PolarHBondContact O-N 3.31Å; S177-F440 WeakPolarHBondContact OG-CA 3.35Å; S177-F440 VanDerWaalsContact OG-CD2 3.26Å; S177-F440 WeakPolarHBondContact OG-CD2 3.04Å |
| 178 | N | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.8 | -166 | 56.4 | 0 | 0 | 0 | 111.1 | T174 L175 Q182 L183 A336 F400 I443 | T174-N178 WeakPolarHBondContact O-CB 3.49Å; T174-N178 PolarHBondContact O-N 3Å; L175-N178 PolarHBondContact O-N 3.32Å; N178-Q182 WeakPolarHBondContact O-CA 3.19Å; N178-Q182 WeakPolarHBondContact O-CB 3.43Å; N178-Q182 PolarHBondContact O-N 3.02Å; N178-Q182 PolarHBondContact OD1-OE1 3.3Å; N178-L183 PolarHBondContact O-N 3.15Å; N178-A336 HydrophobicContact CB-CB 3.81Å; N178-F400 HydrophobicContact CB-CD2 4.47Å; N178-F400 WeakPolarHBondContact ND2-CE2 3.27Å; N178-I443 HydrophobicContact CB-CG2 4.48Å |
| 179 | A | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -59.6 | -49.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L175 F176 S177 I184 F400 L401 | L175-A179 WeakPolarHBondContact O-CB 3.45Å; L175-A179 PolarHBondContact O-N 3.19Å; F176-A179 PolarHBondContact O-N 2.74Å; S177-A179 VanDerWaalsContact C-N 3.34Å; S177-A179 PolarHBondContact O-N 2.91Å; A179-I184 VanDerWaalsContact O-CB 3.26Å; A179-I184 WeakPolarHBondContact O-CB 3.45Å; A179-I184 WeakPolarHBondContact O-CD1 3.43Å; A179-I184 WeakPolarHBondContact O-CG1 3.1Å; A179-I184 PolarHBondContact O-N 3.18Å; A179-F400 HydrophobicContact CB-CB 4.01Å; A179-L401 HydrophobicContact CB-CD2 4.19Å; A179-L401 HydrophobicContact CB-CG 3.8Å |
| 180 | V | 94.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 7% | 0.073 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -81.8 | -34.6 | -172.4 | 175.2 | 0 | 0 | 0 | 0 | 113.5 | F176 S177 P185 A201 I204 L401 | F176-V180 HydrophobicContact CD1-CG2 4.1Å; F176-V180 HydrophobicContact CE1-CB 4.45Å; F176-V180 HydrophobicContact CE1-CG2 3.78Å; F176-V180 HydrophobicContact CZ-CG2 4.24Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.1Å; S177-V180 PolarHBondContact O-N 3.3Å; V180-P185 VanDerWaalsContact O-CD 3.26Å; V180-P185 WeakPolarHBondContact O-CD 3.47Å; V180-P185 WeakPolarHBondContact O-CG 3.31Å; V180-A201 HydrophobicContact CG1-CB 3.99Å; V180-I204 HydrophobicContact CG1-CB 3.97Å; V180-I204 HydrophobicContact CG1-CD1 3.88Å; V180-I204 HydrophobicContact CG1-CG2 3.99Å; V180-I204 HydrophobicContact CG2-CG2 4.32Å; V180-L401 HydrophobicContact CG2-CD2 4.11Å |
| 181 | L | 91.2 | Very high | 90 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -92.1 | -24.1 | -176.5 | -67.8 | 165 | 0 | 0 | 0 | 113.4 | S177 Y197 V198 A201 V202 F440 I443 L444 T447 | S177-L181 WeakPolarHBondContact O-CA 3.38Å; S177-L181 WeakPolarHBondContact O-CB 3.43Å; S177-L181 PolarHBondContact O-N 3.31Å; L181-Y197 WeakPolarHBondContact O-CE2 3.15Å; L181-Y197 PolarHBondContact O-OH 3.49Å; L181-V198 HydrophobicContact CD2-CG1 4.23Å; L181-A201 HydrophobicContact CD2-CB 3.48Å; L181-A201 VanDerWaalsContact CD2-CB 3.48Å; L181-A201 HydrophobicContact CG-CB 4.37Å; L181-V202 HydrophobicContact CD2-CG2 4.37Å; L181-F440 HydrophobicContact CD1-CE2 4.26Å; L181-I443 HydrophobicContact CD1-CG2 4.25Å; L181-L444 HydrophobicContact CD1-CB 4.37Å; L181-L444 HydrophobicContact CD1-CD1 4.27Å; L181-T447 HydrophobicContact CB-CG2 4.44Å |
| 182 | Q | 89.7 | Confident | 88.5 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -124.5 | -65.3 | -174 | -59.9 | -174.2 | -4.5 | 0 | 0 | 112 | N178 I184 P185 E186 S332 T447 | N178-Q182 WeakPolarHBondContact O-CA 3.19Å; N178-Q182 WeakPolarHBondContact O-CB 3.43Å; N178-Q182 PolarHBondContact O-N 3.02Å; N178-Q182 PolarHBondContact OD1-OE1 3.3Å; Q182-I184 PolarHBondContact O-N 3.2Å; Q182-P185 WeakPolarHBondContact O-CD 3.5Å; Q182-E186 WeakPolarHBondContact O-CB 3.22Å; Q182-E186 PolarHBondContact O-N 3.45Å; Q182-S332 PolarHBondContact NE2-OG 3.12Å; Q182-S332 PolarHBondContact OE1-OG 3.25Å; Q182-T447 PolarHBondContact NE2-OG1 3.47Å |
| 183 | L | 92.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -65 | -47.4 | -169.2 | -57.1 | 179.4 | 0 | 0 | 0 | 113.5 | N178 A187 V318 F393 A396 F400 | N178-L183 PolarHBondContact O-N 3.15Å; L183-A187 VanDerWaalsContact O-CB 3.22Å; L183-A187 WeakPolarHBondContact O-CB 3.45Å; L183-A187 PolarHBondContact O-N 3.07Å; L183-V318 HydrophobicContact CD1-CG1 4.42Å; L183-V318 HydrophobicContact CD2-CG1 4.14Å; L183-F393 HydrophobicContact CB-CB 4.4Å; L183-F393 HydrophobicContact CD2-CD1 3.75Å; L183-F393 HydrophobicContact CD2-CE1 4.36Å; L183-F393 HydrophobicContact CD2-CG 4.4Å; L183-F393 WeakPolarHBondContact O-CB 3.3Å; L183-A396 HydrophobicContact CD1-CB 3.98Å; L183-F400 HydrophobicContact CD1-CD2 3.56Å; L183-F400 HydrophobicContact CD1-CE2 3.79Å; L183-F400 HydrophobicContact CD1-CG 4.14Å |
| 184 | I | 92.5 | Very high | 85.1 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.5 | -48.8 | -179.6 | -67.6 | 166.3 | 0 | 0 | 0 | 111.4 | A179 Q182 E186 A187 L188 L401 | A179-I184 VanDerWaalsContact O-CB 3.26Å; A179-I184 WeakPolarHBondContact O-CB 3.45Å; A179-I184 WeakPolarHBondContact O-CD1 3.43Å; A179-I184 WeakPolarHBondContact O-CG1 3.1Å; A179-I184 PolarHBondContact O-N 3.18Å; Q182-I184 PolarHBondContact O-N 3.2Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 2.97Å; I184-A187 WeakPolarHBondContact O-CB 3.43Å; I184-A187 PolarHBondContact O-N 3.06Å; I184-L188 HydrophobicContact CG2-CD1 3.99Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.35Å; I184-L188 PolarHBondContact O-N 3.1Å; I184-L401 HydrophobicContact CD1-CD1 3.77Å |
| 185 | P | 87.9 | Confident | 83.7 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 175 | -26.5 | 35.6 | 0 | 0 | 0 | 113.3 | V180 Q182 A187 L188 G189 F190 Y197 | V180-P185 VanDerWaalsContact O-CD 3.26Å; V180-P185 WeakPolarHBondContact O-CD 3.47Å; V180-P185 WeakPolarHBondContact O-CG 3.31Å; Q182-P185 WeakPolarHBondContact O-CD 3.5Å; P185-A187 PolarHBondContact O-N 3.06Å; P185-L188 CarbonylContact O-C 3.42Å; P185-L188 PolarHBondContact O-N 3.24Å; P185-L188 VanDerWaalsContact O-N 3.12Å; P185-G189 PolarHBondContact O-N 3.29Å; P185-F190 HydrophobicContact CB-CB 4.18Å; P185-F190 HydrophobicContact CB-CD2 4.43Å; P185-F190 PolarHBondContact O-N 3.07Å; P185-Y197 HydrophobicContact CB-CD1 4.41Å; P185-Y197 HydrophobicContact CB-CD2 4.08Å; P185-Y197 HydrophobicContact CB-CE1 3.83Å; P185-Y197 HydrophobicContact CB-CE2 3.54Å; P185-Y197 HydrophobicContact CG-CD2 3.86Å; P185-Y197 HydrophobicContact CG-CE2 3.32Å |
| 186 | E | 84.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.3 | -165.6 | 70.8 | -155.4 | 0 | 0 | 111.1 | Q182 I184 L188 G189 V325 N390 F393 | Q182-E186 WeakPolarHBondContact O-CB 3.22Å; Q182-E186 PolarHBondContact O-N 3.45Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 2.97Å; E186-L188 PolarHBondContact O-N 3.34Å; E186-G189 PolarHBondContact O-N 3.34Å; E186-V325 WeakPolarHBondContact OE1-CG1 3.26Å; E186-N390 PolarHBondContact O-ND2 3.35Å; E186-F393 HydrophobicContact CB-CD2 3.94Å; E186-F393 HydrophobicContact CB-CE2 4.38Å; E186-F393 HydrophobicContact CG-CD2 3.42Å; E186-F393 VanDerWaalsContact CG-CD2 3.42Å; E186-F393 HydrophobicContact CG-CE2 3.43Å; E186-F393 VanDerWaalsContact CG-CE2 3.43Å; E186-F393 HydrophobicContact CG-CG 4.38Å; E186-F393 HydrophobicContact CG-CZ 4.39Å |
| 187 | A | 88.1 | Confident | 82 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -32.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L183 I184 P185 N390 F393 A394 | L183-A187 VanDerWaalsContact O-CB 3.22Å; L183-A187 WeakPolarHBondContact O-CB 3.45Å; L183-A187 PolarHBondContact O-N 3.07Å; I184-A187 WeakPolarHBondContact O-CB 3.43Å; I184-A187 PolarHBondContact O-N 3.06Å; P185-A187 PolarHBondContact O-N 3.06Å; A187-N390 WeakPolarHBondContact CB-O 3.39Å; A187-F393 HydrophobicContact CB-CB 4.01Å; A187-A394 HydrophobicContact CB-CB 3.87Å |
| 188 | L | 85.1 | Confident | 81.6 | Confident | 116 Ų | 116 | 47.9 Ų | 47.9 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -87.7 | -8.6 | 177.4 | -64 | 174.4 | 0 | 0 | 0 | 113.3 | I184 P185 E186 F190 | I184-L188 HydrophobicContact CG2-CD1 3.99Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.35Å; I184-L188 PolarHBondContact O-N 3.1Å; P185-L188 CarbonylContact O-C 3.42Å; P185-L188 PolarHBondContact O-N 3.24Å; P185-L188 VanDerWaalsContact O-N 3.12Å; E186-L188 PolarHBondContact O-N 3.34Å; L188-F190 HydrophobicContact CB-CD2 3.81Å; L188-F190 HydrophobicContact CB-CE2 3.73Å; L188-F190 HydrophobicContact CB-CZ 4.4Å; L188-F190 HydrophobicContact CD1-CD2 4.21Å; L188-F190 HydrophobicContact CD1-CE2 3.67Å; L188-F190 HydrophobicContact CG-CE2 4.36Å |
| 189 | G | 78.3 | Confident | 81.2 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 26.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P185 E186 | P185-G189 PolarHBondContact O-N 3.29Å; E186-G189 PolarHBondContact O-N 3.34Å |
| 190 | F | 76.3 | Confident | 80.9 | Confident | 95 Ų | 95 | 59 Ų | 59 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | trans | -85.8 | 134.4 | 176.1 | -65.4 | -48 | 0 | 0 | 0 | 112 | P185 L188 D195 Y197 | P185-F190 HydrophobicContact CB-CB 4.18Å; P185-F190 HydrophobicContact CB-CD2 4.43Å; P185-F190 PolarHBondContact O-N 3.07Å; L188-F190 HydrophobicContact CB-CD2 3.81Å; L188-F190 HydrophobicContact CB-CE2 3.73Å; L188-F190 HydrophobicContact CB-CZ 4.4Å; L188-F190 HydrophobicContact CD1-CD2 4.21Å; L188-F190 HydrophobicContact CD1-CE2 3.67Å; L188-F190 HydrophobicContact CG-CE2 4.36Å; F190-D195 WeakPolarHBondContact CA-OD2 3.42Å; F190-Y197 HydrophobicContact CB-CD1 3.79Å; F190-Y197 HydrophobicContact CB-CE1 4.07Å; F190-Y197 HydrophobicContact CB-CG 4.48Å | ||
| 191 | D | 67.6 | Low | 80.7 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | trans | -94.4 | 128.4 | 174.3 | -176.5 | -36.1 | 0 | 0 | 0 | 110.2 | K193 A194 D195 | D191-K193 PolarHBondContact O-N 2.97Å; D191-K193 VanDerWaalsContact O-N 3.15Å; D191-K193 PolarHBondContact OD1-N 2.78Å; D191-A194 HydrophobicContact CB-CB 3.93Å; D191-A194 PolarHBondContact O-N 2.63Å; D191-D195 PolarHBondContact N-OD2 2.94Å; D191-D195 PolarHBondContact O-N 2.91Å | ||
| 192 | P | 63.6 | Low | 80.8 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 26% | 0.26 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.2 | 178.9 | -20.6 | 25.6 | 0 | 0 | 0 | 114.5 | Y197 V198 | P192-Y197 HydrophobicContact CB-CE1 4Å; P192-Y197 HydrophobicContact CG-CE1 3.93Å; P192-Y197 VanDerWaalsContact N-CE1 3.34Å; P192-V198 HydrophobicContact CB-CG2 4.1Å |
| 193 | K | 60.9 | Low | 80.9 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -35.3 | -177.2 | -69.3 | -175 | 174.4 | -177.6 | 0 | 112.9 | D191 G451 | D191-K193 PolarHBondContact O-N 2.97Å; D191-K193 VanDerWaalsContact O-N 3.15Å; D191-K193 PolarHBondContact OD1-N 2.78Å; K193-G451 PolarHBondContact NZ-O 2.83Å |
| 194 | A | 60.9 | Low | 81.1 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 59% | 0.587 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -41.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D191 | D191-A194 HydrophobicContact CB-CB 3.93Å; D191-A194 PolarHBondContact O-N 2.63Å |
| 195 | D | 66.1 | Low | 81.1 | Confident | 74 Ų | 74 | 64 Ų | 64 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -98.1 | -4.1 | -166.3 | -64.3 | -49.8 | 0 | 0 | 0 | 114.3 | F190 D191 Y197 | F190-D195 WeakPolarHBondContact CA-OD2 3.42Å; D191-D195 PolarHBondContact N-OD2 2.94Å; D191-D195 PolarHBondContact O-N 2.91Å; D195-Y197 HydrophobicContact CB-CD1 4.43Å; D195-Y197 PolarHBondContact O-N 2.93Å |
| 196 | N | 72.6 | Confident | 81.4 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | trans | 45.7 | 34.9 | -175.5 | -75.1 | -60 | 0 | 0 | 0 | 112.8 | V198 | N196-V198 VanDerWaalsContact C-N 3.31Å; N196-V198 PolarHBondContact O-N 2.96Å | ||
| 197 | Y | 83.6 | Confident | 82 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.6 | -23.3 | -175.3 | 78.8 | -102.9 | 0 | 0 | 0 | 112.2 | L181 P185 F190 P192 D195 A199 K200 A201 | L181-Y197 WeakPolarHBondContact O-CE2 3.15Å; L181-Y197 PolarHBondContact O-OH 3.49Å; P185-Y197 HydrophobicContact CB-CD1 4.41Å; P185-Y197 HydrophobicContact CB-CD2 4.08Å; P185-Y197 HydrophobicContact CB-CE1 3.83Å; P185-Y197 HydrophobicContact CB-CE2 3.54Å; P185-Y197 HydrophobicContact CG-CD2 3.86Å; P185-Y197 HydrophobicContact CG-CE2 3.32Å; F190-Y197 HydrophobicContact CB-CD1 3.79Å; F190-Y197 HydrophobicContact CB-CE1 4.07Å; F190-Y197 HydrophobicContact CB-CG 4.48Å; P192-Y197 HydrophobicContact CB-CE1 4Å; P192-Y197 HydrophobicContact CG-CE1 3.93Å; P192-Y197 VanDerWaalsContact N-CE1 3.34Å; D195-Y197 HydrophobicContact CB-CD1 4.43Å; D195-Y197 PolarHBondContact O-N 2.93Å; Y197-A199 VanDerWaalsContact C-N 3.27Å; Y197-A199 PolarHBondContact O-N 3.48Å; Y197-K200 WeakPolarHBondContact O-CA 3.37Å; Y197-K200 WeakPolarHBondContact O-CB 3.12Å; Y197-K200 PolarHBondContact O-N 2.89Å; Y197-A201 HydrophobicContact CD2-CB 4.16Å; Y197-A201 HydrophobicContact CE2-CB 4.47Å; Y197-A201 PolarHBondContact O-N 3.16Å |
| 198 | V | 86.3 | Confident | 82.2 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.085 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.5 | -42.8 | -174.5 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | L181 P192 N196 K200 A201 V202 L444 T447 M448 | L181-V198 HydrophobicContact CD2-CG1 4.23Å; P192-V198 HydrophobicContact CB-CG2 4.1Å; N196-V198 VanDerWaalsContact C-N 3.31Å; N196-V198 PolarHBondContact O-N 2.96Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 2.93Å; V198-A201 PolarHBondContact O-N 2.81Å; V198-V202 HydrophobicContact CG1-CG2 4.36Å; V198-V202 WeakPolarHBondContact O-CB 3.43Å; V198-V202 VanDerWaalsContact O-CG2 3.25Å; V198-V202 WeakPolarHBondContact O-CG2 3.22Å; V198-V202 PolarHBondContact O-N 2.8Å; V198-L444 HydrophobicContact CG1-CD1 3.96Å; V198-T447 HydrophobicContact CG2-CG2 4.32Å; V198-M448 HydrophobicContact CG1-SD 3.83Å |
| 199 | A | 87.4 | Confident | 82.7 | Confident | 78 Ų | 78 | 62 Ų | 62 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.4 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y197 G203 | Y197-A199 VanDerWaalsContact C-N 3.27Å; Y197-A199 PolarHBondContact O-N 3.48Å; A199-G203 PolarHBondContact O-N 3.13Å; A199-G203 VanDerWaalsContact O-N 3.13Å |
| 200 | K | 89.3 | Confident | 83.5 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.7 | -42.1 | 176.6 | -59.2 | 173.7 | -174.9 | 164.5 | 0 | 110.7 | Y197 V198 G203 I204 | Y197-K200 WeakPolarHBondContact O-CA 3.37Å; Y197-K200 WeakPolarHBondContact O-CB 3.12Å; Y197-K200 PolarHBondContact O-N 2.89Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 2.93Å; K200-G203 WeakPolarHBondContact O-CA 3.47Å; K200-G203 PolarHBondContact O-N 3.34Å; K200-I204 PolarHBondContact O-N 2.87Å; K200-I204 VanDerWaalsContact O-N 3.15Å |
| 201 | A | 90.4 | Very high | 84.3 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V180 L181 Y197 V198 G203 I204 F205 | V180-A201 HydrophobicContact CG1-CB 3.99Å; L181-A201 HydrophobicContact CD2-CB 3.48Å; L181-A201 VanDerWaalsContact CD2-CB 3.48Å; L181-A201 HydrophobicContact CG-CB 4.37Å; Y197-A201 HydrophobicContact CD2-CB 4.16Å; Y197-A201 HydrophobicContact CE2-CB 4.47Å; Y197-A201 PolarHBondContact O-N 3.16Å; V198-A201 PolarHBondContact O-N 2.81Å; A201-G203 PolarHBondContact O-N 2.84Å; A201-I204 WeakPolarHBondContact O-CB 3.47Å; A201-I204 PolarHBondContact O-N 3.36Å; A201-I204 VanDerWaalsContact O-N 3.08Å; A201-F205 PolarHBondContact O-N 3.46Å |
| 202 | V | 92.9 | Very high | 85.5 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 168.7 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | L181 V198 I204 F205 G206 F440 L444 | L181-V202 HydrophobicContact CD2-CG2 4.37Å; V198-V202 HydrophobicContact CG1-CG2 4.36Å; V198-V202 WeakPolarHBondContact O-CB 3.43Å; V198-V202 VanDerWaalsContact O-CG2 3.25Å; V198-V202 WeakPolarHBondContact O-CG2 3.22Å; V198-V202 PolarHBondContact O-N 2.8Å; V202-I204 VanDerWaalsContact C-N 3.32Å; V202-I204 PolarHBondContact O-N 3.4Å; V202-F205 PolarHBondContact O-N 3.46Å; V202-G206 PolarHBondContact O-N 3.17Å; V202-F440 HydrophobicContact CB-CZ 4.43Å; V202-F440 HydrophobicContact CG1-CZ 4.08Å; V202-F440 HydrophobicContact CG2-CZ 4.04Å; V202-L444 HydrophobicContact CG2-CD1 3.64Å; V202-L444 HydrophobicContact CG2-CD2 4.38Å |
| 203 | G | 93.4 | Very high | 86.9 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 45% | 0.454 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | A199 K200 A201 G206 G207 | A199-G203 PolarHBondContact O-N 3.13Å; A199-G203 VanDerWaalsContact O-N 3.13Å; K200-G203 WeakPolarHBondContact O-CA 3.47Å; K200-G203 PolarHBondContact O-N 3.34Å; A201-G203 PolarHBondContact O-N 2.84Å; G203-G206 PolarHBondContact O-N 2.83Å; G203-G207 PolarHBondContact O-N 2.99Å |
| 204 | I | 94.5 | Very high | 88.4 | Confident | 98 Ų | 98 | 61 Ų | 61 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 175.8 | -62.9 | 171.6 | 0 | 0 | 0 | 110.2 | F176 V180 K200 A201 V202 G206 G207 F208 | F176-I204 HydrophobicContact CE1-CG2 4.39Å; F176-I204 HydrophobicContact CZ-CG2 4.19Å; V180-I204 HydrophobicContact CG1-CB 3.97Å; V180-I204 HydrophobicContact CG1-CD1 3.88Å; V180-I204 HydrophobicContact CG1-CG2 3.99Å; V180-I204 HydrophobicContact CG2-CG2 4.32Å; K200-I204 PolarHBondContact O-N 2.87Å; K200-I204 VanDerWaalsContact O-N 3.15Å; A201-I204 WeakPolarHBondContact O-CB 3.47Å; A201-I204 PolarHBondContact O-N 3.36Å; A201-I204 VanDerWaalsContact O-N 3.08Å; V202-I204 VanDerWaalsContact C-N 3.32Å; V202-I204 PolarHBondContact O-N 3.4Å; I204-G206 VanDerWaalsContact C-N 3.33Å; I204-G206 PolarHBondContact O-N 3.34Å; I204-G207 PolarHBondContact O-N 3.47Å; I204-F208 PolarHBondContact O-N 3.26Å |
| 205 | F | 93.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.8 | -176.3 | -89.2 | 0 | 0 | 0 | 111.7 | F176 A201 V202 G207 F208 Y209 L436 L437 F440 | F176-F205 AromaticContact CD1-CD2 3.56Å; F176-F205 HydrophobicContact CD1-CD2 3.56Å; F176-F205 HydrophobicContact CD1-CE2 4.29Å; F176-F205 HydrophobicContact CE1-CB 4.07Å; F176-F205 AromaticContact CE1-CD2 3.82Å; F176-F205 HydrophobicContact CE1-CD2 3.82Å; F176-F205 HydrophobicContact CE1-CG 4.41Å; F176-F205 HydrophobicContact CG-CD2 4.44Å; A201-F205 PolarHBondContact O-N 3.46Å; V202-F205 PolarHBondContact O-N 3.46Å; F205-G207 VanDerWaalsContact C-N 3.32Å; F205-G207 PolarHBondContact O-N 3.02Å; F205-F208 PolarHBondContact O-N 3.06Å; F205-Y209 HydrophobicContact CE1-CG 4.44Å; F205-Y209 VanDerWaalsContact O-CB 3.31Å; F205-Y209 WeakPolarHBondContact O-CB 3.45Å; F205-Y209 PolarHBondContact O-N 3.17Å; F205-L436 HydrophobicContact CE2-CD1 4.45Å; F205-L436 HydrophobicContact CZ-CD1 4.39Å; F205-L436 HydrophobicContact CZ-CG 4.03Å; F205-L437 HydrophobicContact CE1-CD2 4.42Å; F205-F440 HydrophobicContact CB-CD2 3.9Å; F205-F440 HydrophobicContact CB-CE2 3.56Å; F205-F440 HydrophobicContact CB-CZ 4.41Å; F205-F440 HydrophobicContact CD1-CB 4.4Å; F205-F440 HydrophobicContact CD1-CD1 4.16Å; F205-F440 AromaticContact CD1-CD2 3.37Å; F205-F440 HydrophobicContact CD1-CD2 3.37Å; F205-F440 HydrophobicContact CD1-CE1 4.28Å; F205-F440 AromaticContact CD1-CE2 3.55Å; F205-F440 HydrophobicContact CD1-CE2 3.55Å; F205-F440 AromaticContact CD1-CG 3.71Å; F205-F440 HydrophobicContact CD1-CG 3.71Å; F205-F440 AromaticContact CD1-CZ 4Å; F205-F440 HydrophobicContact CD1-CZ 4Å; F205-F440 HydrophobicContact CD2-CB 4.41Å; F205-F440 AromaticContact CD2-CD2 3.47Å; F205-F440 HydrophobicContact CD2-CD2 3.47Å; F205-F440 VanDerWaalsContact CD2-CD2 3.47Å; F205-F440 HydrophobicContact CD2-CE2 4.08Å; F205-F440 HydrophobicContact CD2-CG 4.19Å; F205-F440 HydrophobicContact CE1-CB 3.78Å; F205-F440 AromaticContact CE1-CD1 3.99Å; F205-F440 HydrophobicContact CE1-CD1 3.99Å; F205-F440 AromaticContact CE1-CD2 3.66Å; F205-F440 HydrophobicContact CE1-CD2 3.66Å; F205-F440 HydrophobicContact CE1-CE2 4.25Å; F205-F440 AromaticContact CE1-CG 3.52Å; F205-F440 HydrophobicContact CE1-CG 3.52Å; F205-F440 HydrophobicContact CE2-CB 3.79Å; F205-F440 AromaticContact CE2-CD2 3.75Å; F205-F440 HydrophobicContact CE2-CD2 3.75Å; F205-F440 HydrophobicContact CE2-CG 4.03Å; F205-F440 AromaticContact CG-CD2 3.27Å; F205-F440 HydrophobicContact CG-CD2 3.27Å; F205-F440 AromaticContact CG-CE2 3.44Å; F205-F440 HydrophobicContact CG-CE2 3.44Å; F205-F440 VanDerWaalsContact CG-CE2 3.44Å; F205-F440 HydrophobicContact CG-CG 4.05Å; F205-F440 HydrophobicContact CG-CZ 4.31Å; F205-F440 HydrophobicContact CZ-CB 3.43Å; F205-F440 VanDerWaalsContact CZ-CB 3.43Å; F205-F440 AromaticContact CZ-CD2 3.84Å; F205-F440 HydrophobicContact CZ-CD2 3.84Å; F205-F440 AromaticContact CZ-CG 3.69Å; F205-F440 HydrophobicContact CZ-CG 3.69Å |
| 206 | G | 95 | Very high | 90.8 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V202 G203 I204 Y209 L210 | V202-G206 PolarHBondContact O-N 3.17Å; G203-G206 PolarHBondContact O-N 2.83Å; I204-G206 VanDerWaalsContact C-N 3.33Å; I204-G206 PolarHBondContact O-N 3.34Å; G206-Y209 PolarHBondContact O-N 3.25Å; G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.38Å; G206-L210 PolarHBondContact O-N 2.98Å |
| 207 | G | 95.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G203 I204 F205 L210 L211 | G203-G207 PolarHBondContact O-N 2.99Å; I204-G207 PolarHBondContact O-N 3.47Å; F205-G207 VanDerWaalsContact C-N 3.32Å; F205-G207 PolarHBondContact O-N 3.02Å; G207-L210 PolarHBondContact O-N 3.47Å; G207-L211 PolarHBondContact O-N 2.99Å |
| 208 | F | 93.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 18% | 0.18 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 173.2 | 162.8 | -103.2 | 0 | 0 | 0 | 111.4 | F176 I204 F205 L210 L211 F212 L405 F409 L436 | F176-F208 HydrophobicContact CE2-CB 4.35Å; F176-F208 HydrophobicContact CE2-CD1 4.42Å; F176-F208 HydrophobicContact CE2-CD2 4.45Å; F176-F208 HydrophobicContact CE2-CG 4.15Å; F176-F208 HydrophobicContact CZ-CB 4.02Å; F176-F208 HydrophobicContact CZ-CD1 4.5Å; F176-F208 HydrophobicContact CZ-CG 4.25Å; I204-F208 PolarHBondContact O-N 3.26Å; F205-F208 PolarHBondContact O-N 3.06Å; F208-L210 VanDerWaalsContact C-N 3.35Å; F208-L210 PolarHBondContact O-N 3.43Å; F208-L211 PolarHBondContact O-N 3.46Å; F208-F212 WeakPolarHBondContact O-CB 3.45Å; F208-F212 PolarHBondContact O-N 3.41Å; F208-L405 HydrophobicContact CD2-CD2 4.06Å; F208-L405 HydrophobicContact CE2-CD2 3.49Å; F208-L405 VanDerWaalsContact CE2-CD2 3.49Å; F208-L405 HydrophobicContact CZ-CD2 3.91Å; F208-F409 HydrophobicContact CE2-CD2 4.43Å; F208-F409 HydrophobicContact CE2-CE2 4.16Å; F208-F409 AromaticContact CZ-CD2 3.96Å; F208-F409 HydrophobicContact CZ-CD2 3.96Å; F208-F409 AromaticContact CZ-CE2 3.81Å; F208-F409 HydrophobicContact CZ-CE2 3.81Å; F208-L436 HydrophobicContact CE1-CD1 4.24Å; F208-L436 HydrophobicContact CE1-CD2 4.14Å |
| 209 | Y | 94.9 | Very high | 91.7 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | -178.6 | -179 | -103.6 | 0 | 0 | 0 | 112.4 | F205 G206 F212 F213 N433 L436 L437 | F205-Y209 HydrophobicContact CE1-CG 4.44Å; F205-Y209 VanDerWaalsContact O-CB 3.31Å; F205-Y209 WeakPolarHBondContact O-CB 3.45Å; F205-Y209 PolarHBondContact O-N 3.17Å; G206-Y209 PolarHBondContact O-N 3.25Å; Y209-F212 HydrophobicContact CD2-CD1 4.16Å; Y209-F212 HydrophobicContact CE2-CD1 4.21Å; Y209-F212 HydrophobicContact CE2-CE1 4.38Å; Y209-F212 PolarHBondContact O-N 2.83Å; Y209-F213 VanDerWaalsContact O-CB 3.25Å; Y209-F213 WeakPolarHBondContact O-CB 3.41Å; Y209-F213 PolarHBondContact O-N 3.27Å; Y209-N433 VanDerWaalsContact CE2-OD1 3.28Å; Y209-N433 WeakPolarHBondContact CE2-OD1 3.08Å; Y209-N433 PolarHBondContact OH-OD1 2.75Å; Y209-L436 HydrophobicContact CD2-CD2 3.75Å; Y209-L436 HydrophobicContact CE2-CD2 4.14Å; Y209-L437 HydrophobicContact CD2-CD2 4.16Å; Y209-L437 HydrophobicContact CE1-CD2 4.4Å; Y209-L437 HydrophobicContact CE2-CD1 4.45Å; Y209-L437 HydrophobicContact CE2-CD2 3.81Å; Y209-L437 HydrophobicContact CE2-CG 4.09Å |
| 210 | L | 95.4 | Very high | 91.5 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -47.4 | 178.4 | -175.8 | 152.8 | 0 | 0 | 0 | 111.2 | G206 G207 F208 F213 V214 | G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.38Å; G206-L210 PolarHBondContact O-N 2.98Å; G207-L210 PolarHBondContact O-N 3.47Å; F208-L210 VanDerWaalsContact C-N 3.35Å; F208-L210 PolarHBondContact O-N 3.43Å; L210-F213 PolarHBondContact O-N 2.91Å; L210-V214 HydrophobicContact CD2-CG2 4.2Å; L210-V214 WeakPolarHBondContact O-CB 3.36Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 3.35Å |
| 211 | L | 93.7 | Very high | 91.1 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 63% | 0.628 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 177.5 | -73.3 | 179.3 | 0 | 0 | 0 | 111.4 | G207 F208 F213 V214 E215 | G207-L211 PolarHBondContact O-N 2.99Å; F208-L211 PolarHBondContact O-N 3.46Å; L211-F213 PolarHBondContact O-N 3.38Å; L211-V214 PolarHBondContact O-N 2.86Å; L211-E215 VanDerWaalsContact O-CB 3.27Å; L211-E215 WeakPolarHBondContact O-CB 3.43Å; L211-E215 PolarHBondContact O-N 3.33Å |
| 212 | F | 91.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.022 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.2 | -52 | 173.4 | 161.3 | -102.9 | 0 | 0 | 0 | 111.8 | F208 Y209 V214 E215 K216 F409 M412 Q432 L436 | F208-F212 WeakPolarHBondContact O-CB 3.45Å; F208-F212 PolarHBondContact O-N 3.41Å; Y209-F212 HydrophobicContact CD2-CD1 4.16Å; Y209-F212 HydrophobicContact CE2-CD1 4.21Å; Y209-F212 HydrophobicContact CE2-CE1 4.38Å; Y209-F212 PolarHBondContact O-N 2.83Å; F212-V214 PolarHBondContact O-N 2.94Å; F212-E215 PolarHBondContact O-N 3.46Å; F212-K216 HydrophobicContact CD2-CG 4.01Å; F212-K216 HydrophobicContact CE2-CD 4.22Å; F212-K216 HydrophobicContact CE2-CG 3.71Å; F212-K216 HydrophobicContact CZ-CG 4.05Å; F212-K216 WeakPolarHBondContact O-CG 3.31Å; F212-K216 PolarHBondContact O-N 3.13Å; F212-F409 AromaticContact CD2-CE2 3.48Å; F212-F409 HydrophobicContact CD2-CE2 3.48Å; F212-F409 VanDerWaalsContact CD2-CE2 3.48Å; F212-F409 AromaticContact CD2-CZ 3.6Å; F212-F409 HydrophobicContact CD2-CZ 3.6Å; F212-F409 AromaticContact CE2-CE2 3.87Å; F212-F409 HydrophobicContact CE2-CE2 3.87Å; F212-F409 HydrophobicContact CE2-CZ 4.15Å; F212-F409 HydrophobicContact CG-CE2 4.34Å; F212-M412 HydrophobicContact CE2-CE 4.19Å; F212-M412 HydrophobicContact CZ-CE 4.45Å; F212-Q432 HydrophobicContact CZ-CB 4.45Å; F212-L436 HydrophobicContact CD1-CD2 4.14Å; F212-L436 HydrophobicContact CE1-CD2 4.11Å |
| 213 | F | 93 | Very high | 89.1 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | -177 | -174.4 | -89.4 | 0 | 0 | 0 | 111 | Y209 L210 L211 K216 I217 F429 | Y209-F213 VanDerWaalsContact O-CB 3.25Å; Y209-F213 WeakPolarHBondContact O-CB 3.41Å; Y209-F213 PolarHBondContact O-N 3.27Å; L210-F213 PolarHBondContact O-N 2.91Å; L211-F213 PolarHBondContact O-N 3.38Å; F213-K216 PolarHBondContact O-N 3.05Å; F213-I217 HydrophobicContact CD1-CG1 4.01Å; F213-I217 HydrophobicContact CE1-CD1 4.35Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CZ-CD1 4.24Å; F213-I217 HydrophobicContact CZ-CG1 4.07Å; F213-I217 WeakPolarHBondContact O-CB 3.45Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.9Å; F213-F429 HydrophobicContact CD2-CE2 4.48Å; F213-F429 AromaticContact CD2-CZ 3.78Å; F213-F429 HydrophobicContact CD2-CZ 3.78Å; F213-F429 HydrophobicContact CE2-CE1 4.19Å; F213-F429 AromaticContact CE2-CZ 3.62Å; F213-F429 HydrophobicContact CE2-CZ 3.62Å; F213-F429 HydrophobicContact CZ-CZ 4.34Å |
| 214 | V | 92.1 | Very high | 87.3 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L210 L211 F212 K216 I217 L218 | L210-V214 HydrophobicContact CD2-CG2 4.2Å; L210-V214 WeakPolarHBondContact O-CB 3.36Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 3.35Å; L211-V214 PolarHBondContact O-N 2.86Å; F212-V214 PolarHBondContact O-N 2.94Å; V214-K216 PolarHBondContact O-N 2.99Å; V214-I217 PolarHBondContact O-N 2.86Å; V214-L218 HydrophobicContact CG1-CD1 3.7Å; V214-L218 HydrophobicContact CG1-CG 4.17Å; V214-L218 WeakPolarHBondContact O-CB 3.4Å; V214-L218 VanDerWaalsContact O-CG 3.23Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.15Å |
| 215 | E | 90.4 | Very high | 85.2 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 179.2 | -172.2 | -168.7 | 126.7 | 0 | 0 | 111.8 | L211 F212 L218 K219 | L211-E215 VanDerWaalsContact O-CB 3.27Å; L211-E215 WeakPolarHBondContact O-CB 3.43Å; L211-E215 PolarHBondContact O-N 3.33Å; F212-E215 PolarHBondContact O-N 3.46Å; E215-L218 PolarHBondContact O-N 3.01Å; E215-K219 HydrophobicContact CG-CD 4.22Å; E215-K219 WeakPolarHBondContact O-CB 3.42Å; E215-K219 WeakPolarHBondContact O-CG 3.45Å; E215-K219 PolarHBondContact O-N 3.25Å; E215-K219 WeakPolarHBondContact OE1-CE 3.26Å; E215-K219 IonicContact OE1-NZ 2.63Å; E215-K219 PolarHBondContact OE1-NZ 3.47Å |
| 216 | K | 87.9 | Confident | 82.7 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 178.4 | -69 | -51.5 | -173.8 | -156.7 | 0 | 112.4 | F212 F213 V214 K219 M220 D413 F429 | F212-K216 HydrophobicContact CD2-CG 4.01Å; F212-K216 HydrophobicContact CE2-CD 4.22Å; F212-K216 HydrophobicContact CE2-CG 3.71Å; F212-K216 HydrophobicContact CZ-CG 4.05Å; F212-K216 WeakPolarHBondContact O-CG 3.31Å; F212-K216 PolarHBondContact O-N 3.13Å; F213-K216 PolarHBondContact O-N 3.05Å; V214-K216 PolarHBondContact O-N 2.99Å; K216-K219 PolarHBondContact O-N 2.95Å; K216-M220 WeakPolarHBondContact O-CB 3.19Å; K216-M220 PolarHBondContact O-N 3.47Å; K216-D413 IonicContact NZ-OD1 3.09Å; K216-D413 PolarHBondContact NZ-OD1 2.99Å; K216-D413 IonicContact NZ-OD2 3.01Å; K216-F429 HydrophobicContact CB-CD2 3.73Å; K216-F429 HydrophobicContact CB-CE2 3.46Å; K216-F429 VanDerWaalsContact CB-CE2 3.46Å; K216-F429 HydrophobicContact CG-CD2 4.11Å; K216-F429 HydrophobicContact CG-CE2 4.03Å |
| 217 | I | 88.6 | Confident | 80.1 | Confident | 47 Ų | 47 | 85 Ų | 85 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.4 | -71.1 | -66.3 | 0 | 0 | 0 | 110.3 | F213 V214 M220 F221 F429 | F213-I217 HydrophobicContact CD1-CG1 4.01Å; F213-I217 HydrophobicContact CE1-CD1 4.35Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CZ-CD1 4.24Å; F213-I217 HydrophobicContact CZ-CG1 4.07Å; F213-I217 WeakPolarHBondContact O-CB 3.45Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.9Å; V214-I217 PolarHBondContact O-N 2.86Å; I217-M220 PolarHBondContact O-N 3.05Å; I217-F221 HydrophobicContact CG2-CD2 3.45Å; I217-F221 VanDerWaalsContact CG2-CD2 3.45Å; I217-F221 HydrophobicContact CG2-CE2 3.4Å; I217-F221 VanDerWaalsContact CG2-CE2 3.4Å; I217-F221 WeakPolarHBondContact O-CD2 3.28Å; I217-F221 PolarHBondContact O-N 2.87Å; I217-F429 HydrophobicContact CD1-CE1 4.08Å; I217-F429 HydrophobicContact CD1-CZ 3.92Å; I217-F429 HydrophobicContact CG1-CZ 4.21Å |
| 218 | L | 87.4 | Confident | 77.3 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 44% | 0.44 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.6 | -69.4 | 172.3 | 0 | 0 | 0 | 111.8 | V214 E215 M220 F221 F222 | V214-L218 HydrophobicContact CG1-CD1 3.7Å; V214-L218 HydrophobicContact CG1-CG 4.17Å; V214-L218 WeakPolarHBondContact O-CB 3.4Å; V214-L218 VanDerWaalsContact O-CG 3.23Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 3.15Å; E215-L218 PolarHBondContact O-N 3.01Å; L218-M220 PolarHBondContact O-N 3.19Å; L218-F221 PolarHBondContact O-N 3.38Å; L218-F222 HydrophobicContact CB-CD2 4.34Å; L218-F222 HydrophobicContact CD2-CD2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 3.63Å; L218-F222 WeakPolarHBondContact O-CB 3.48Å; L218-F222 WeakPolarHBondContact O-CD2 3.26Å; L218-F222 PolarHBondContact O-N 3.36Å |
| 219 | K | 84.5 | Confident | 74.3 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -36.5 | 176.5 | -78.2 | 175.5 | 171.8 | 174.7 | 0 | 112.1 | E215 K216 G223 | E215-K219 HydrophobicContact CG-CD 4.22Å; E215-K219 WeakPolarHBondContact O-CB 3.42Å; E215-K219 WeakPolarHBondContact O-CG 3.45Å; E215-K219 PolarHBondContact O-N 3.25Å; E215-K219 WeakPolarHBondContact OE1-CE 3.26Å; E215-K219 IonicContact OE1-NZ 2.63Å; E215-K219 PolarHBondContact OE1-NZ 3.47Å; K216-K219 PolarHBondContact O-N 2.95Å; K219-G223 PolarHBondContact O-N 2.93Å |
| 220 | M | 82.9 | Confident | 71.6 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.9 | -38.9 | 178.3 | -163.5 | 170.6 | -61.5 | 0 | 0 | 112.8 | K216 I217 L218 K425 I426 F429 | K216-M220 WeakPolarHBondContact O-CB 3.19Å; K216-M220 PolarHBondContact O-N 3.47Å; I217-M220 PolarHBondContact O-N 3.05Å; L218-M220 PolarHBondContact O-N 3.19Å; M220-K425 HydrophobicContact CE-CB 4.39Å; M220-I426 HydrophobicContact CE-CG1 4.37Å; M220-I426 HydrophobicContact SD-CG1 3.57Å; M220-I426 VanDerWaalsContact SD-CG1 3.57Å; M220-F429 HydrophobicContact CE-CB 3.82Å; M220-F429 HydrophobicContact CE-CG 4.13Å |
| 221 | F | 82.7 | Confident | 68.5 | Low | 165 Ų | 165 | 97.2 Ų | 97.2 | 72% | 0.724 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.1 | -43.5 | 178.7 | -83.1 | -63.6 | 0 | 0 | 0 | 113.5 | I217 L218 | I217-F221 HydrophobicContact CG2-CD2 3.45Å; I217-F221 VanDerWaalsContact CG2-CD2 3.45Å; I217-F221 HydrophobicContact CG2-CE2 3.4Å; I217-F221 VanDerWaalsContact CG2-CE2 3.4Å; I217-F221 WeakPolarHBondContact O-CD2 3.28Å; I217-F221 PolarHBondContact O-N 2.87Å; L218-F221 PolarHBondContact O-N 3.38Å |
| 222 | F | 78.1 | Confident | 65.8 | Low | 144 Ų | 144 | 99.4 Ų | 99.4 | 63% | 0.632 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -85.8 | -7.6 | -175 | -73.2 | -73.3 | 0 | 0 | 0 | 113.8 | L218 I224 | L218-F222 HydrophobicContact CB-CD2 4.34Å; L218-F222 HydrophobicContact CD2-CD2 4.05Å; L218-F222 HydrophobicContact CD2-CE2 3.63Å; L218-F222 WeakPolarHBondContact O-CB 3.48Å; L218-F222 WeakPolarHBondContact O-CD2 3.26Å; L218-F222 PolarHBondContact O-N 3.36Å; F222-I224 HydrophobicContact CB-CD1 4.07Å; F222-I224 HydrophobicContact CB-CG1 3.97Å; F222-I224 PolarHBondContact O-N 2.93Å |
| 223 | G | 62.1 | Low | 62.8 | Low | 58 Ų | 58 | 109.1 Ų | 109.1 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | trans | 55.8 | 29.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | K219 G225 | K219-G223 PolarHBondContact O-N 2.93Å; G223-G225 PolarHBondContact O-N 3.01Å | ||
| 224 | I | 56.6 | Low | 59.8 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 64% | 0.641 | 59% | 0.593 | S | S | * | * | trans | -72.5 | 80.9 | 178.5 | -56.5 | 172.1 | 0 | 0 | 0 | 107.3 | F222 | F222-I224 HydrophobicContact CB-CD1 4.07Å; F222-I224 HydrophobicContact CB-CG1 3.97Å; F222-I224 PolarHBondContact O-N 2.93Å | ||
| 225 | G | 49.2 | Very low | 57 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | trans | -118.3 | 20.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G223 | G223-G225 PolarHBondContact O-N 3.01Š| ||
| 226 | H | 41.6 | Very low | 54.2 | Low | 162 Ų | 162 | 114.6 Ų | 114.6 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | trans | -132.1 | 83.6 | 170.3 | -96.1 | -80.2 | 0 | 0 | 0 | 109.3 | ||||
| 227 | E | 39.3 | Very low | 51.6 | Low | 178 Ų | 178 | 120.5 Ų | 120.5 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | trans | -115.1 | 110.5 | 157.1 | -76.6 | -167.4 | 131.5 | 0 | 0 | 108.5 | G229 | E227-G229 PolarHBondContact O-N 2.72Å; E227-G229 VanDerWaalsContact O-N 3.07Å | ||
| 228 | H | 38.6 | Very low | 48.7 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 68% | 0.676 | 69% | 0.691 | S | S | * | * | trans | -65.1 | 96.7 | 167 | -69.4 | -62.9 | 0 | 0 | 0 | 108.9 | H230 | H228-H230 VanDerWaalsContact C-N 3.34Å; H228-H230 PolarHBondContact O-N 3.19Å | ||
| 229 | G | 30.1 | Very low | 46.2 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | -70 | 91.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E227 S231 | E227-G229 PolarHBondContact O-N 2.72Å; E227-G229 VanDerWaalsContact O-N 3.07Å; G229-S231 PolarHBondContact O-N 2.77Å; G229-S231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | H | 37.9 | Very low | 43.5 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -72.4 | 89.8 | 167.7 | -69.2 | -76.3 | 0 | 0 | 0 | 109.6 | H228 H232 | H228-H230 VanDerWaalsContact C-N 3.34Å; H228-H230 PolarHBondContact O-N 3.19Å; H230-H232 PolarHBondContact O-N 2.63Å | ||
| 231 | S | 31.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -80.9 | 105.6 | 156.9 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | G229 F233 | G229-S231 PolarHBondContact O-N 2.77Å; G229-S231 VanDerWaalsContact O-N 3.09Å; S231-F233 PolarHBondContact O-N 2.99Å | ||
| 232 | H | 35.8 | Very low | 38 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -50.7 | 114.7 | 169.5 | -95 | -93.8 | 0 | 0 | 0 | 111.4 | H230 | H230-H232 PolarHBondContact O-N 2.63Š| ||
| 233 | F | 28.9 | Very low | 35.5 | Very low | 209 Ų | 209 | 129.8 Ų | 129.8 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -159.1 | 91 | 141.8 | -101.2 | -75 | 0 | 0 | 0 | 108.3 | S231 | S231-F233 PolarHBondContact O-N 2.99Š| ||
| 234 | T | 29.5 | Very low | 33.9 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -106.4 | 122 | 164.6 | 45.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 235 | P | 34.5 | Very low | 32.5 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -76 | 141.7 | 155.4 | 0.7 | 17.7 | 0 | 0 | 0 | 108.8 | ||||
| 236 | A | 30.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -65.4 | 129.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 237 | D | 32.8 | Very low | 30.6 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 19.4 | 115 | 142.3 | -64.9 | -23.6 | 0 | 0 | 0 | 121.4 | ||||
| 238 | T | 28.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 90.5 | 160.5 | 99.3 | 61.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 239 | P | 35.1 | Very low | 29.3 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -138.1 | 148.9 | 15.5 | 35.1 | -12.6 | 0 | 0 | 0 | 119.8 | ||||
| 240 | Q | 26.5 | Very low | 29 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | 55.7 | 120.5 | 126.6 | -156.4 | 173 | 0.8 | 0 | 0 | 121.8 | |||||
| 241 | E | 24.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | -179.1 | 131 | 114.2 | -100.1 | -162.5 | 140.4 | 0 | 0 | 115.6 | |||||
| 242 | N | 27.2 | Very low | 28.1 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | trans | 68.9 | 103.7 | 136.7 | -55.8 | -14.7 | 0 | 0 | 0 | 123.9 | ||||
| 243 | S | 26.2 | Very low | 27.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 22 | 135.8 | 126.8 | 63.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 244 | V | 27.4 | Very low | 27.3 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | -173.5 | 140.2 | 118.4 | 159.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 245 | Q | 26.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -74 | 151.2 | 175.5 | -70.3 | 166.5 | -37.6 | 0 | 0 | 113.4 | ||||
| 246 | N | 25.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -179.2 | 148.2 | 121.3 | -93.4 | -21.7 | 0 | 0 | 0 | 112.3 | |||||
| 247 | G | 25.1 | Very low | 26.6 | Very low | 60 Ų | 60 | 137.4 Ų | 137.4 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | trans | -86.8 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 248 | D | 26.5 | Very low | 26.4 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | 173.5 | 138.5 | 123.9 | -80.2 | -17.3 | 0 | 0 | 0 | 113.3 | |||||
| 249 | A | 25.9 | Very low | 26.5 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 25 | 120.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 250 | W | 22.4 | Very low | 26.3 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | 41.2 | 113.8 | 130.9 | -69.2 | 78.6 | 0 | 0 | 0 | 123 | ||||
| 251 | V | 25.3 | Very low | 26.5 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -143.6 | 135 | 140.1 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 252 | K | 24.6 | Very low | 26.6 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -78 | 144.9 | 175.3 | -99.8 | 178.2 | 171.4 | 178.5 | 0 | 112.1 | ||||
| 253 | G | 24.3 | Very low | 26.6 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 142.5 | 112.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 254 | D | 24.6 | Very low | 26.7 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 75.5 | 109.9 | 149.7 | -66.5 | -5.6 | 0 | 0 | 0 | 123.8 | ||||
| 255 | S | 25.2 | Very low | 26.6 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 52.8 | 121 | 130.9 | 64.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 256 | V | 30.9 | Very low | 26.7 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | 65.8 | 100 | 150.6 | -171.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 257 | V | 23.7 | Very low | 26.6 | Very low | 119 Ų | 119 | 136 Ų | 136 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -139.5 | 113.5 | 162.2 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 258 | L | 28.6 | Very low | 26.8 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -95.4 | 98.2 | 151 | -164.8 | 74 | 0 | 0 | 0 | 106.1 | ||||
| 259 | T | 30.7 | Very low | 26.6 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 40.4 | 120.1 | 156.9 | -7.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 260 | N | 31.6 | Very low | 26.6 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | -80 | 167.7 | 170.7 | -76.3 | -27.8 | 0 | 0 | 0 | 114.2 | ||||
| 261 | V | 29.7 | Very low | 26.8 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | 158.9 | 135.9 | 125.2 | 162 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 262 | A | 26.7 | Very low | 26.9 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | -153.9 | 155.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 263 | T | 28.3 | Very low | 26.9 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 140.8 | 163 | 20.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 264 | I | 27.3 | Very low | 26.9 | Very low | 168 Ų | 168 | 139 Ų | 139 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | -123.7 | 133.1 | 147.5 | -66.8 | -177.9 | 0 | 0 | 0 | 109.3 | ||||
| 265 | S | 25 | Very low | 27.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 149.2 | -176.2 | -19.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 266 | T | 29.4 | Very low | 27.3 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -51 | 134.6 | 154.1 | 27.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 267 | D | 23 | Very low | 27.3 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 140.4 | 141.3 | -117.9 | -22.8 | 0 | 0 | 0 | 112.3 | ||||
| 268 | K | 29 | Very low | 27.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -78.8 | 140.5 | -172.3 | -66.4 | 169.1 | 173.6 | 172.8 | 0 | 111.2 | ||||
| 269 | N | 23.7 | Very low | 27.2 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | 166.9 | 149.7 | 112.3 | -102.3 | -4.3 | 0 | 0 | 0 | 112.6 | |||||
| 270 | S | 24.4 | Very low | 27.1 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | 99.3 | 106.4 | 147.5 | 71.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 271 | L | 27.5 | Very low | 27 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | 95.6 | 108.7 | 133.5 | -63.3 | 161 | 0 | 0 | 0 | 118.3 | ||||
| 272 | A | 26.5 | Very low | 27.1 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -61.4 | 139.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 273 | V | 25.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -141.2 | 121.7 | 143.6 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 274 | E | 24.1 | Very low | 28.1 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -94.7 | 179.6 | 175.3 | -144.7 | -167.3 | 178 | 0 | 0 | 109.6 | ||||
| 275 | P | 33 | Very low | 28.6 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | -98.1 | 152.9 | -97.2 | 35.9 | -22.6 | 0 | 0 | 0 | 112.5 | |||||
| 276 | Q | 24.2 | Very low | 29.7 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -122.9 | 111.4 | 163.7 | -137.1 | 170.5 | -22.6 | 0 | 0 | 109.7 | D278 | Q276-D278 PolarHBondContact O-N 3.24Š| ||
| 277 | Q | 30.5 | Very low | 30.9 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -52.3 | 126.1 | 168 | -79.5 | 160.3 | -35.7 | 0 | 0 | 109.4 | ||||
| 278 | D | 24.1 | Very low | 32.3 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -140.1 | 123.6 | 150.3 | -95 | -38 | 0 | 0 | 0 | 110.6 | Q276 | Q276-D278 PolarHBondContact O-N 3.24Š| ||
| 279 | A | 27.8 | Very low | 33.6 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | 48.5 | 104 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | V281 | A279-V281 VanDerWaalsContact C-N 3.27Å; A279-V281 PolarHBondContact O-N 3.16Å | ||
| 280 | Q | 28.5 | Very low | 34.6 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 94% | 0.944 | 73% | 0.725 | S | S | * | * | trans | -52.4 | 93.6 | 145.3 | -71.2 | -176.2 | -46.6 | 0 | 0 | 109.7 | ||||
| 281 | V | 28.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | -87.1 | 112.6 | 152.9 | -178.8 | 0 | 0 | 0 | 0 | 105.2 | A279 E283 | A279-V281 VanDerWaalsContact C-N 3.27Å; A279-V281 PolarHBondContact O-N 3.16Å; V281-E283 PolarHBondContact O-N 2.88Å | ||
| 282 | S | 31.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -64 | 77.6 | 167.3 | -173 | 0 | 0 | 0 | 0 | 107.9 | V284 | S282-V284 PolarHBondContact O-N 3.22Å; S282-V284 VanDerWaalsContact O-N 3.1Å | ||
| 283 | E | 38.2 | Very low | 38.6 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 62% | 0.621 | 70% | 0.698 | S | S | * | * | trans | -77.4 | 101.2 | -179.8 | -154.2 | 176 | -162.3 | 0 | 0 | 106.8 | V281 M285 | V281-E283 PolarHBondContact O-N 2.88Å; E283-M285 HydrophobicContact CG-CB 4.13Å; E283-M285 PolarHBondContact O-N 2.98Å; E283-M285 VanDerWaalsContact OE2-CE 3.24Å; E283-M285 WeakPolarHBondContact OE2-CE 3.37Å | ||
| 284 | V | 37.8 | Very low | 40.3 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -66.4 | 69.8 | 160.8 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | S282 C286 | S282-V284 PolarHBondContact O-N 3.22Å; S282-V284 VanDerWaalsContact O-N 3.1Å; V284-C286 PolarHBondContact O-N 2.94Å | ||
| 285 | M | 38.7 | Very low | 41.8 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 48% | 0.478 | 67% | 0.669 | S | S | . | * | trans | -79 | 115 | 177.2 | -171.7 | 128.9 | 59.7 | 0 | 0 | 106.7 | E283 H287 L289 | E283-M285 HydrophobicContact CG-CB 4.13Å; E283-M285 PolarHBondContact O-N 2.98Å; E283-M285 VanDerWaalsContact OE2-CE 3.24Å; E283-M285 WeakPolarHBondContact OE2-CE 3.37Å; M285-H287 PolarHBondContact O-N 3.22Å; M285-L289 HydrophobicContact CG-CB 3.79Å; M285-L289 HydrophobicContact CG-CD1 4.18Å; M285-L289 HydrophobicContact SD-CB 4.18Å; M285-L289 HydrophobicContact SD-CD1 4.45Å | ||
| 286 | C | 47.8 | Very low | 43.1 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 51% | 0.507 | 66% | 0.66 | S | S | . | * | trans | -48.7 | 137.2 | 176.2 | -78.5 | 0 | 0 | 0 | 0 | 110.2 | V284 W288 L289 | V284-C286 PolarHBondContact O-N 2.94Å; C286-W288 PolarHBondContact O-N 3.41Å; C286-L289 HydrophobicContact CB-CD1 4.45Å; C286-L289 PolarHBondContact O-N 3.12Å | ||
| 287 | H | 55.3 | Low | 45.2 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 68% | 0.676 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -50.2 | -29 | 178.7 | -178.7 | 71.2 | 0 | 0 | 0 | 113.2 | M285 L289 R290 | M285-H287 PolarHBondContact O-N 3.22Å; H287-L289 VanDerWaalsContact C-N 3.35Å; H287-L289 PolarHBondContact O-N 2.93Å; H287-R290 VanDerWaalsContact O-CB 3.27Å; H287-R290 WeakPolarHBondContact O-CB 3.4Å; H287-R290 PolarHBondContact O-N 3.21Å |
| 288 | W | 51.5 | Low | 47.3 | Very low | 152 Ų | 152 | 117.7 Ų | 117.7 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -68.3 | -23.6 | 177.9 | -62.3 | 93.1 | 0 | 0 | 0 | 115 | C286 R290 P360 | C286-W288 PolarHBondContact O-N 3.41Å; W288-R290 VanDerWaalsContact C-N 3.27Å; W288-R290 PolarHBondContact O-N 3.27Å; W288-P360 HydrophobicContact CE3-CB 4.09Å; W288-P360 HydrophobicContact CZ3-CB 4.49Å |
| 289 | L | 56.4 | Low | 50 | Low | 40 Ų | 40 | 115.9 Ų | 115.9 | 21% | 0.209 | 60% | 0.602 | C | S | . | * | G | 310 helix | trans | -87.2 | 6.5 | 177.6 | -67.2 | 170.6 | 0 | 0 | 0 | 112.8 | M285 C286 H287 G291 I294 | M285-L289 HydrophobicContact CG-CB 3.79Å; M285-L289 HydrophobicContact CG-CD1 4.18Å; M285-L289 HydrophobicContact SD-CB 4.18Å; M285-L289 HydrophobicContact SD-CD1 4.45Å; C286-L289 HydrophobicContact CB-CD1 4.45Å; C286-L289 PolarHBondContact O-N 3.12Å; H287-L289 VanDerWaalsContact C-N 3.35Å; H287-L289 PolarHBondContact O-N 2.93Å; L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 3.33Å; L289-I294 HydrophobicContact CD2-CD1 4.11Å |
| 290 | R | 44.4 | Very low | 52.3 | Low | 217 Ų | 217 | 115.7 Ų | 115.7 | 82% | 0.819 | 59% | 0.592 | S | S | * | * | trans | -76.4 | 76.9 | 179.7 | -160.3 | 176.3 | -177.7 | 173 | 1.3 | 110.9 | H287 W288 | H287-R290 VanDerWaalsContact O-CB 3.27Å; H287-R290 WeakPolarHBondContact O-CB 3.4Å; H287-R290 PolarHBondContact O-N 3.21Å; W288-R290 VanDerWaalsContact C-N 3.27Å; W288-R290 PolarHBondContact O-N 3.27Å | ||
| 291 | G | 57.1 | Low | 54.6 | Low | 38 Ų | 38 | 106.1 Ų | 106.1 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -150.7 | -172.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L289 R293 | L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 3.33Å; G291-R293 PolarHBondContact O-N 3.23Å |
| 292 | K | 51.7 | Low | 57.3 | Low | 157 Ų | 157 | 106.2 Ų | 106.2 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -44.7 | 138.9 | 174.2 | -107.7 | -179.7 | 177.7 | 178.5 | 0 | 109.9 | I294 Q361 | K292-I294 PolarHBondContact O-N 3.39Å; K292-Q361 PolarHBondContact O-NE2 3.35Å |
| 293 | R | 54.8 | Low | 59.8 | Low | 209 Ų | 209 | 107 Ų | 107 | 79% | 0.789 | 53% | 0.528 | S | S | * | . | trans | -47.5 | 127.5 | 177.6 | -91.2 | -167.5 | -93.8 | -178.3 | -6.1 | 109.4 | G291 T295 S296 | G291-R293 PolarHBondContact O-N 3.23Å; R293-T295 PolarHBondContact O-N 3.25Å; R293-S296 PolarHBondContact O-N 2.02Å; R293-S296 PolarHBondContact O-OG 2.87Å | ||
| 294 | I | 59.8 | Low | 62 | Low | 61 Ų | 61 | 102 Ų | 102 | 31% | 0.313 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -51.5 | -26.1 | 179.8 | -61.7 | 169.3 | 0 | 0 | 0 | 111.5 | L289 K292 S296 I297 W302 | L289-I294 HydrophobicContact CD2-CD1 4.11Å; K292-I294 PolarHBondContact O-N 3.39Å; I294-S296 PolarHBondContact O-N 3.07Å; I294-I297 HydrophobicContact CB-CD1 4.5Å; I294-I297 HydrophobicContact CG2-CD1 4.26Å; I294-I297 PolarHBondContact O-N 2.98Å; I294-W302 HydrophobicContact CG2-CH2 4.17Å; I294-W302 HydrophobicContact CG2-CZ2 3.54Å |
| 295 | T | 57 | Low | 64.2 | Low | 129 Ų | 129 | 96.4 Ų | 96.4 | 79% | 0.791 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -67.3 | -6.7 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 115.5 | R293 | R293-T295 PolarHBondContact O-N 3.25Š|
| 296 | S | 59.2 | Low | 66.7 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -105 | 3.6 | 178.3 | 65.2 | 0 | 0 | 0 | 0 | 114.6 | R293 I294 | R293-S296 PolarHBondContact O-N 2.02Å; R293-S296 PolarHBondContact O-OG 2.87Å; I294-S296 PolarHBondContact O-N 3.07Å |
| 297 | I | 69.4 | Low | 68.6 | Low | 18 Ų | 18 | 97.6 Ų | 97.6 | 9% | 0.092 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -81 | 138.2 | -178.2 | -59.9 | 172.9 | 0 | 0 | 0 | 109.5 | I294 A301 M357 | I294-I297 HydrophobicContact CB-CD1 4.5Å; I294-I297 HydrophobicContact CG2-CD1 4.26Å; I294-I297 PolarHBondContact O-N 2.98Å; I297-A301 HydrophobicContact CG2-CB 3.58Å; I297-M357 HydrophobicContact CD1-CE 3.8Å; I297-M357 HydrophobicContact CD1-CG 4.03Å; I297-M357 HydrophobicContact CG1-CG 4.48Å; I297-M357 HydrophobicContact CG2-CE 4.15Å; I297-M357 HydrophobicContact CG2-CG 4.33Å |
| 298 | K | 74.1 | Confident | 70.2 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 55% | 0.548 | 45% | 0.45 | S | S | . | . | trans | -60.8 | 138.2 | 178.2 | -64.1 | 179.5 | -176.2 | 169.7 | 0 | 110.6 | V300 A301 A355 | K298-V300 PolarHBondContact O-N 3.27Å; K298-A301 WeakPolarHBondContact O-CB 3.31Å; K298-A301 PolarHBondContact O-N 3.34Å; K298-A355 HydrophobicContact CB-CB 4.48Å | ||
| 299 | T | 80.8 | Confident | 72.2 | Confident | 118 Ų | 118 | 84.9 Ų | 84.9 | 72% | 0.724 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -50.4 | -30.5 | 176.2 | -50.7 | 0 | 0 | 0 | 0 | 113.2 | A301 W302 M303 | T299-A301 VanDerWaalsContact C-N 3.29Å; T299-A301 PolarHBondContact O-N 3.42Å; T299-W302 PolarHBondContact O-N 3.39Å; T299-M303 PolarHBondContact O-N 3.18Å; T299-M303 VanDerWaalsContact O-N 3.15Å |
| 300 | V | 75.9 | Confident | 73.9 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 47% | 0.473 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.5 | -38.7 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | K298 W302 M303 I304 | K298-V300 PolarHBondContact O-N 3.27Å; V300-W302 VanDerWaalsContact C-N 3.33Å; V300-W302 PolarHBondContact O-N 3.22Å; V300-M303 PolarHBondContact O-N 3.4Å; V300-I304 HydrophobicContact CG1-CD1 3.76Å; V300-I304 HydrophobicContact CG1-CG1 4.41Å; V300-I304 VanDerWaalsContact O-CG1 3.3Å; V300-I304 WeakPolarHBondContact O-CG1 3.15Å; V300-I304 PolarHBondContact O-N 2.93Å |
| 301 | A | 78 | Confident | 76.1 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.008 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I297 K298 T299 S305 L352 A355 M357 | I297-A301 HydrophobicContact CG2-CB 3.58Å; K298-A301 WeakPolarHBondContact O-CB 3.31Å; K298-A301 PolarHBondContact O-N 3.34Å; T299-A301 VanDerWaalsContact C-N 3.29Å; T299-A301 PolarHBondContact O-N 3.42Å; A301-S305 WeakPolarHBondContact O-CB 3.38Å; A301-S305 PolarHBondContact O-N 3.03Å; A301-L352 HydrophobicContact CB-CD2 3.68Å; A301-A355 HydrophobicContact CB-CB 3.94Å; A301-M357 HydrophobicContact CB-CE 4.38Å |
| 302 | W | 83.6 | Confident | 77.9 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 43% | 0.432 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.6 | -38.7 | 176 | -70.7 | 112.8 | 0 | 0 | 0 | 112.3 | I294 T299 V300 L306 F365 | I294-W302 HydrophobicContact CG2-CH2 4.17Å; I294-W302 HydrophobicContact CG2-CZ2 3.54Å; T299-W302 PolarHBondContact O-N 3.39Å; V300-W302 VanDerWaalsContact C-N 3.33Å; V300-W302 PolarHBondContact O-N 3.22Å; W302-L306 WeakPolarHBondContact O-CB 3.36Å; W302-L306 PolarHBondContact O-N 3Å; W302-F365 AromaticContact CH2-CE1 3.61Å; W302-F365 HydrophobicContact CH2-CE1 3.61Å; W302-F365 AromaticContact CH2-CZ 3.67Å; W302-F365 HydrophobicContact CH2-CZ 3.67Å; W302-F365 HydrophobicContact CZ2-CZ 4.45Å; W302-F365 HydrophobicContact CZ3-CD1 4.34Å; W302-F365 AromaticContact CZ3-CE1 3.52Å; W302-F365 HydrophobicContact CZ3-CE1 3.52Å; W302-F365 HydrophobicContact CZ3-CZ 4.07Å |
| 303 | M | 85.3 | Confident | 79.9 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 64% | 0.64 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 175.9 | -171.6 | -174.6 | 80.5 | 0 | 0 | 111 | T299 V300 L306 S307 | T299-M303 PolarHBondContact O-N 3.18Å; T299-M303 VanDerWaalsContact O-N 3.15Å; V300-M303 PolarHBondContact O-N 3.4Å; M303-L306 PolarHBondContact O-N 3.5Å; M303-S307 WeakPolarHBondContact O-CB 3.4Å; M303-S307 PolarHBondContact O-N 2.97Å |
| 304 | I | 82.8 | Confident | 81.8 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.138 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -53.4 | 178.4 | -67.9 | 167.6 | 0 | 0 | 0 | 110.4 | V300 L306 S307 D308 D348 I351 | V300-I304 HydrophobicContact CG1-CD1 3.76Å; V300-I304 HydrophobicContact CG1-CG1 4.41Å; V300-I304 VanDerWaalsContact O-CG1 3.3Å; V300-I304 WeakPolarHBondContact O-CG1 3.15Å; V300-I304 PolarHBondContact O-N 2.93Å; I304-L306 VanDerWaalsContact C-N 3.26Å; I304-L306 PolarHBondContact O-N 3.42Å; I304-S307 WeakPolarHBondContact O-CB 3.2Å; I304-S307 PolarHBondContact O-N 3.31Å; I304-D308 WeakPolarHBondContact O-CB 3.22Å; I304-D308 PolarHBondContact O-N 3.48Å; I304-D348 HydrophobicContact CG2-CB 4.4Å; I304-D348 WeakPolarHBondContact CG2-OD1 3.05Å; I304-D348 WeakPolarHBondContact CG2-OD2 3.49Å; I304-I351 HydrophobicContact CD1-CB 4.28Å; I304-I351 HydrophobicContact CD1-CD1 4.48Å; I304-I351 HydrophobicContact CD1-CG2 3.37Å |
| 305 | S | 85.3 | Confident | 83.5 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -33.3 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 113.4 | A301 A309 | A301-S305 WeakPolarHBondContact O-CB 3.38Å; A301-S305 PolarHBondContact O-N 3.03Å; S305-A309 WeakPolarHBondContact O-CB 3Å; S305-A309 PolarHBondContact O-N 3.23Å |
| 306 | L | 90.1 | Very high | 85.4 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 62% | 0.618 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.9 | -41.2 | 174.4 | -179.8 | 65 | 0 | 0 | 0 | 112.1 | W302 M303 I304 D308 A309 V310 | W302-L306 WeakPolarHBondContact O-CB 3.36Å; W302-L306 PolarHBondContact O-N 3Å; M303-L306 PolarHBondContact O-N 3.5Å; I304-L306 VanDerWaalsContact C-N 3.26Å; I304-L306 PolarHBondContact O-N 3.42Å; L306-D308 VanDerWaalsContact C-N 3.35Å; L306-A309 PolarHBondContact O-N 3.27Å; L306-V310 WeakPolarHBondContact O-CG2 3.31Å; L306-V310 PolarHBondContact O-N 3.44Å; L306-V310 VanDerWaalsContact O-N 3.13Å |
| 307 | S | 88.5 | Confident | 87.1 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 56% | 0.559 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 176.9 | -170 | 0 | 0 | 0 | 0 | 110.3 | M303 I304 A309 V310 H311 | M303-S307 WeakPolarHBondContact O-CB 3.4Å; M303-S307 PolarHBondContact O-N 2.97Å; I304-S307 WeakPolarHBondContact O-CB 3.2Å; I304-S307 PolarHBondContact O-N 3.31Å; S307-A309 VanDerWaalsContact C-N 3.31Å; S307-A309 PolarHBondContact O-N 3.28Å; S307-V310 PolarHBondContact O-N 2.89Å; S307-V310 VanDerWaalsContact O-N 3.11Å; S307-H311 WeakPolarHBondContact O-CB 3.42Å; S307-H311 PolarHBondContact O-N 3.46Å |
| 308 | D | 89.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 174.8 | -172.6 | 52.1 | 0 | 0 | 0 | 110.8 | I304 L306 V310 H311 N312 H344 S369 | I304-D308 WeakPolarHBondContact O-CB 3.22Å; I304-D308 PolarHBondContact O-N 3.48Å; L306-D308 VanDerWaalsContact C-N 3.35Å; D308-V310 VanDerWaalsContact C-N 3.29Å; D308-V310 PolarHBondContact O-N 3Å; D308-H311 PolarHBondContact O-CD2 2.94Å; D308-H311 PolarHBondContact O-N 3.17Å; D308-H311 IonicContact OD1-CD2 3.46Å; D308-H311 PolarHBondContact OD1-CD2 2.99Å; D308-H311 IonicContact OD1-CE1 2.59Å; D308-H311 IonicContact OD1-NE2 3.4Å; D308-H311 PolarHBondContact OD1-NE2 3Å; D308-H311 VanDerWaalsContact OD1-NE2 3.09Å; D308-N312 WeakPolarHBondContact O-CB 2.95Å; D308-N312 PolarHBondContact O-N 2.99Å; D308-N312 PolarHBondContact O-ND2 3.37Å; D308-N312 PolarHBondContact OD1-ND2 3.26Å; D308-N312 PolarHBondContact OD2-ND2 3.39Å; D308-H344 IonicContact OD1-CE1 3.59Å; D308-H344 PolarHBondContact OD1-CE1 3.14Å; D308-H344 IonicContact OD1-ND1 2.87Å; D308-H344 PolarHBondContact OD1-ND1 3.33Å; D308-S369 WeakPolarHBondContact CB-OG 2.93Å; D308-S369 PolarHBondContact O-OG 3.02Å; D308-S369 WeakPolarHBondContact OD2-CB 3.43Å; D308-S369 PolarHBondContact OD2-OG 3.28Å |
| 309 | A | 92.1 | Very high | 89.4 | Confident | 27 Ų | 27 | 44 Ų | 44 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -31.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S305 L306 S307 F313 S369 S372 | S305-A309 WeakPolarHBondContact O-CB 3Å; S305-A309 PolarHBondContact O-N 3.23Å; L306-A309 PolarHBondContact O-N 3.27Å; S307-A309 VanDerWaalsContact C-N 3.31Å; S307-A309 PolarHBondContact O-N 3.28Å; A309-F313 WeakPolarHBondContact O-CB 3.39Å; A309-F313 PolarHBondContact O-N 2.93Å; A309-S369 WeakPolarHBondContact CA-OG 3.47Å; A309-S369 PolarHBondContact N-OG 3.24Å; A309-S372 WeakPolarHBondContact O-CB 3.49Å; A309-S372 PolarHBondContact O-OG 2.96Å |
| 310 | V | 92.3 | Very high | 90 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -75 | -38.3 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L306 S307 D308 I314 | L306-V310 WeakPolarHBondContact O-CG2 3.31Å; L306-V310 PolarHBondContact O-N 3.44Å; L306-V310 VanDerWaalsContact O-N 3.13Å; S307-V310 PolarHBondContact O-N 2.89Å; S307-V310 VanDerWaalsContact O-N 3.11Å; D308-V310 VanDerWaalsContact C-N 3.29Å; D308-V310 PolarHBondContact O-N 3Å; V310-I314 HydrophobicContact CG1-CD1 4.3Å; V310-I314 WeakPolarHBondContact O-CG1 3.27Å; V310-I314 PolarHBondContact O-N 3.11Å |
| 311 | H | 91.8 | Very high | 90.8 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -51.4 | 176.4 | 123.9 | 127.9 | 0 | 0 | 0 | 110.8 | S307 D308 F313 I314 D315 E341 H344 | S307-H311 WeakPolarHBondContact O-CB 3.42Å; S307-H311 PolarHBondContact O-N 3.46Å; D308-H311 PolarHBondContact O-CD2 2.94Å; D308-H311 PolarHBondContact O-N 3.17Å; D308-H311 IonicContact OD1-CD2 3.46Å; D308-H311 PolarHBondContact OD1-CD2 2.99Å; D308-H311 IonicContact OD1-CE1 2.59Å; D308-H311 IonicContact OD1-NE2 3.4Å; D308-H311 PolarHBondContact OD1-NE2 3Å; D308-H311 VanDerWaalsContact OD1-NE2 3.09Å; H311-F313 VanDerWaalsContact C-N 3.28Å; H311-F313 PolarHBondContact O-N 2.91Å; H311-I314 WeakPolarHBondContact O-CA 3.2Å; H311-I314 PolarHBondContact O-N 3.26Å; H311-D315 IonicContact NE2-OD2 3.59Å; H311-D315 PolarHBondContact O-N 3.05Å; H311-E341 IonicContact CE1-OE1 2.69Å; H311-E341 PolarHBondContact CE1-OE1 3.01Å; H311-E341 IonicContact CE1-OE2 3.81Å; H311-E341 IonicContact ND1-OE1 3.95Å; H311-E341 VanDerWaalsContact NE2-CD 3.31Å; H311-E341 IonicContact NE2-OE1 3.97Å; H311-E341 PolarHBondContact NE2-OE1 3.16Å; H311-E341 IonicContact NE2-OE2 3.89Å; H311-E341 PolarHBondContact NE2-OE2 3.23Å; H311-H344 AromaticContact CE1-CE1 3.61Å; H311-H344 AromaticContact CE1-CG 3.98Å; H311-H344 AromaticContact CE1-ND1 3.36Å; H311-H344 PolarHBondContact CE1-ND1 3.09Å; H311-H344 AromaticContact ND1-CE1 3.92Å; H311-H344 AromaticContact NE2-ND1 3.7Å |
| 312 | N | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | -177.4 | -90.1 | -48 | 0 | 0 | 0 | 110.6 | D308 I314 D315 G316 E341 S369 S372 C373 | D308-N312 WeakPolarHBondContact O-CB 2.95Å; D308-N312 PolarHBondContact O-N 2.99Å; D308-N312 PolarHBondContact O-ND2 3.37Å; D308-N312 PolarHBondContact OD1-ND2 3.26Å; D308-N312 PolarHBondContact OD2-ND2 3.39Å; N312-I314 VanDerWaalsContact C-N 3.34Å; N312-D315 PolarHBondContact O-N 2.94Å; N312-G316 PolarHBondContact O-N 2.94Å; N312-E341 PolarHBondContact OD1-OE2 2.91Å; N312-S369 PolarHBondContact ND2-OG 3.4Å; N312-S372 WeakPolarHBondContact CB-OG 3.45Å; N312-C373 HydrophobicContact CB-CB 4.21Å; N312-C373 WeakPolarHBondContact O-CA 3.47Å; N312-C373 VanDerWaalsContact O-CB 3.3Å; N312-C373 WeakPolarHBondContact O-CB 3.42Å |
| 313 | F | 95.6 | Very high | 91.8 | Very high | 65 Ų | 65 | 29.4 Ų | 29.4 | 29% | 0.285 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 172.8 | 173.7 | -97 | 0 | 0 | 0 | 112.2 | A309 H311 G316 L317 S372 V375 G376 F379 | A309-F313 WeakPolarHBondContact O-CB 3.39Å; A309-F313 PolarHBondContact O-N 2.93Å; H311-F313 VanDerWaalsContact C-N 3.28Å; H311-F313 PolarHBondContact O-N 2.91Å; F313-G316 PolarHBondContact O-N 2.86Å; F313-L317 WeakPolarHBondContact O-CB 3.18Å; F313-L317 PolarHBondContact O-N 3.41Å; F313-S372 PolarHBondContact N-OG 3.17Å; F313-V375 HydrophobicContact CD2-CB 4.37Å; F313-V375 HydrophobicContact CD2-CG1 4.34Å; F313-V375 HydrophobicContact CE2-CG1 4.11Å; F313-G376 WeakPolarHBondContact O-CA 3.03Å; F313-F379 HydrophobicContact CE2-CD2 4.14Å |
| 314 | I | 94.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.4 | -36.1 | -179.9 | -68.2 | 170.9 | 0 | 0 | 0 | 110.7 | V310 H311 N312 G316 L317 V318 M399 | V310-I314 HydrophobicContact CG1-CD1 4.3Å; V310-I314 WeakPolarHBondContact O-CG1 3.27Å; V310-I314 PolarHBondContact O-N 3.11Å; H311-I314 WeakPolarHBondContact O-CA 3.2Å; H311-I314 PolarHBondContact O-N 3.26Å; N312-I314 VanDerWaalsContact C-N 3.34Å; I314-G316 VanDerWaalsContact C-N 3.35Å; I314-G316 PolarHBondContact O-N 3.04Å; I314-L317 WeakPolarHBondContact O-CB 2.97Å; I314-L317 PolarHBondContact O-N 3.2Å; I314-V318 HydrophobicContact CG2-CG2 4.25Å; I314-V318 WeakPolarHBondContact O-CB 3.44Å; I314-V318 WeakPolarHBondContact O-CG2 3.36Å; I314-V318 PolarHBondContact O-N 3.12Å; I314-M399 HydrophobicContact CB-CE 3.96Å; I314-M399 HydrophobicContact CB-SD 3.67Å; I314-M399 HydrophobicContact CD1-CE 3.22Å; I314-M399 HydrophobicContact CD1-SD 4.06Å; I314-M399 HydrophobicContact CG1-CE 4.1Å; I314-M399 HydrophobicContact CG1-SD 4.43Å; I314-M399 HydrophobicContact CG2-CE 4.09Å; I314-M399 HydrophobicContact CG2-SD 3.36Å; I314-M399 WeakPolarHBondContact CG2-SD 3.36Å |
| 315 | D | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 172.6 | -65 | -26.4 | 0 | 0 | 0 | 111.6 | H311 N312 L317 V318 I319 I337 F400 | H311-D315 IonicContact NE2-OD2 3.59Å; H311-D315 PolarHBondContact O-N 3.05Å; N312-D315 PolarHBondContact O-N 2.94Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.21Å; D315-V318 PolarHBondContact O-N 3.35Å; D315-I319 WeakPolarHBondContact O-CD1 3.42Å; D315-I319 WeakPolarHBondContact O-CG1 3.44Å; D315-I319 PolarHBondContact O-N 3.04Å; D315-I337 HydrophobicContact CB-CD1 3.96Å; D315-I337 HydrophobicContact CB-CG1 4.31Å; D315-I337 HydrophobicContact CB-CG2 3.9Å; D315-F400 WeakPolarHBondContact OD1-CE1 3.41Å |
| 316 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N312 F313 I314 V318 I319 G320 C373 G376 L377 | N312-G316 PolarHBondContact O-N 2.94Å; F313-G316 PolarHBondContact O-N 2.86Å; I314-G316 VanDerWaalsContact C-N 3.35Å; I314-G316 PolarHBondContact O-N 3.04Å; G316-V318 PolarHBondContact O-N 3.38Å; G316-I319 PolarHBondContact O-N 3.44Å; G316-G320 PolarHBondContact O-N 2.68Å; G316-C373 VanDerWaalsContact CA-O 3.3Å; G316-C373 WeakPolarHBondContact CA-O 3.4Å; G316-C373 WeakPolarHBondContact CA-SG 3.5Å; G316-C373 PolarHBondContact N-SG 2.89Å; G316-G376 CarbonylContact O-C 3.48Å; G316-L377 WeakPolarHBondContact O-CA 3.22Å; G316-L377 PolarHBondContact O-N 2.89Å |
| 317 | L | 95.7 | Very high | 91.5 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 13% | 0.131 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.4 | -41.8 | 179.1 | -173.9 | 75.9 | 0 | 0 | 0 | 111.5 | F313 I314 D315 A321 G376 F379 G380 L383 I392 | F313-L317 WeakPolarHBondContact O-CB 3.18Å; F313-L317 PolarHBondContact O-N 3.41Å; I314-L317 WeakPolarHBondContact O-CB 2.97Å; I314-L317 PolarHBondContact O-N 3.2Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.21Å; L317-A321 WeakPolarHBondContact O-CB 3.43Å; L317-A321 PolarHBondContact O-N 3.06Å; L317-G376 VanDerWaalsContact CA-O 3.26Å; L317-G376 WeakPolarHBondContact CA-O 3.49Å; L317-G376 PolarHBondContact N-O 2.92Å; L317-F379 HydrophobicContact CD1-CB 3.85Å; L317-G380 VanDerWaalsContact O-CA 3.24Å; L317-G380 WeakPolarHBondContact O-CA 3.36Å; L317-L383 HydrophobicContact CD1-CD1 4.19Å; L317-I392 HydrophobicContact CD1-CD1 4.38Å; L317-I392 HydrophobicContact CD2-CG1 4.4Å; L317-I392 HydrophobicContact CD2-CG2 3.91Å; L317-I392 HydrophobicContact CG-CD1 4.36Å; L317-I392 HydrophobicContact CG-CG1 4.48Å; L317-I392 HydrophobicContact CG-CG2 3.8Å |
| 318 | V | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77.6 | -38.6 | -176.3 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | L183 I314 D315 G316 G320 A321 S322 T333 I392 A396 F400 | L183-V318 HydrophobicContact CD1-CG1 4.42Å; L183-V318 HydrophobicContact CD2-CG1 4.14Å; I314-V318 HydrophobicContact CG2-CG2 4.25Å; I314-V318 WeakPolarHBondContact O-CB 3.44Å; I314-V318 WeakPolarHBondContact O-CG2 3.36Å; I314-V318 PolarHBondContact O-N 3.12Å; D315-V318 PolarHBondContact O-N 3.35Å; G316-V318 PolarHBondContact O-N 3.38Å; V318-G320 VanDerWaalsContact C-N 3.32Å; V318-A321 PolarHBondContact O-N 3.49Å; V318-S322 VanDerWaalsContact O-CB 3.23Å; V318-S322 WeakPolarHBondContact O-CB 3.21Å; V318-S322 PolarHBondContact O-N 3.42Å; V318-S322 PolarHBondContact O-OG 2.88Å; V318-T333 HydrophobicContact CG1-CG2 3.44Å; V318-T333 VanDerWaalsContact CG1-CG2 3.44Å; V318-I392 HydrophobicContact CG2-CG2 3.91Å; V318-A396 HydrophobicContact CB-CB 4.23Å; V318-A396 HydrophobicContact CG1-CB 4.11Å; V318-A396 HydrophobicContact CG2-CB 3.1Å; V318-F400 HydrophobicContact CG1-CZ 4.25Å |
| 319 | I | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 170 | -69 | 164.3 | 0 | 0 | 0 | 109.7 | A137 V138 I141 D315 G316 S322 F323 T333 I337 L377 | A137-I319 HydrophobicContact CB-CG2 4.4Å; V138-I319 HydrophobicContact CG2-CD1 4.12Å; V138-I319 HydrophobicContact CG2-CG2 4.44Å; I141-I319 HydrophobicContact CD1-CD1 3.31Å; D315-I319 WeakPolarHBondContact O-CD1 3.42Å; D315-I319 WeakPolarHBondContact O-CG1 3.44Å; D315-I319 PolarHBondContact O-N 3.04Å; G316-I319 PolarHBondContact O-N 3.44Å; I319-S322 PolarHBondContact O-N 2.63Å; I319-F323 HydrophobicContact CG2-CD2 3.7Å; I319-F323 HydrophobicContact CG2-CE2 3.64Å; I319-F323 VanDerWaalsContact O-CD2 3.29Å; I319-F323 WeakPolarHBondContact O-CD2 3.3Å; I319-F323 PolarHBondContact O-N 3.33Å; I319-T333 HydrophobicContact CG1-CG2 4.32Å; I319-I337 HydrophobicContact CD1-CD1 3.64Å; I319-I337 HydrophobicContact CG1-CD1 3.42Å; I319-I337 VanDerWaalsContact CG1-CD1 3.42Å; I319-L377 HydrophobicContact CB-CD1 4.38Å; I319-L377 HydrophobicContact CG2-CD1 3.84Å |
| 320 | G | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G316 V318 S322 F323 T324 | G316-G320 PolarHBondContact O-N 2.68Å; V318-G320 VanDerWaalsContact C-N 3.32Å; G320-S322 VanDerWaalsContact C-N 3.33Å; G320-S322 PolarHBondContact O-N 3.16Å; G320-F323 PolarHBondContact O-N 3.44Å; G320-T324 WeakPolarHBondContact O-CG2 3.38Å; G320-T324 PolarHBondContact O-N 2.99Å |
| 321 | A | 92 | Very high | 91 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L317 V318 F323 T324 V325 P389 I392 F393 | L317-A321 WeakPolarHBondContact O-CB 3.43Å; L317-A321 PolarHBondContact O-N 3.06Å; V318-A321 PolarHBondContact O-N 3.49Å; A321-F323 PolarHBondContact O-N 3.47Å; A321-T324 PolarHBondContact O-N 3.25Å; A321-T324 VanDerWaalsContact O-N 3.16Å; A321-T324 PolarHBondContact O-OG1 2.86Å; A321-V325 PolarHBondContact O-N 3.28Å; A321-P389 HydrophobicContact CB-CB 4.1Å; A321-I392 HydrophobicContact CB-CB 4.18Å; A321-I392 HydrophobicContact CB-CD1 3.9Å; A321-I392 HydrophobicContact CB-CG2 3.82Å; A321-F393 HydrophobicContact CB-CE1 3.8Å; A321-F393 HydrophobicContact CB-CZ 4.07Å |
| 322 | S | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | -179.2 | -61 | 0 | 0 | 0 | 0 | 112.7 | V318 I319 G320 T324 V325 S326 T333 F393 | V318-S322 VanDerWaalsContact O-CB 3.23Å; V318-S322 WeakPolarHBondContact O-CB 3.21Å; V318-S322 PolarHBondContact O-N 3.42Å; V318-S322 PolarHBondContact O-OG 2.88Å; I319-S322 PolarHBondContact O-N 2.63Å; G320-S322 VanDerWaalsContact C-N 3.33Å; G320-S322 PolarHBondContact O-N 3.16Å; S322-T324 PolarHBondContact O-N 3.49Å; S322-V325 PolarHBondContact O-N 3.46Å; S322-V325 VanDerWaalsContact O-N 3.12Å; S322-S326 PolarHBondContact O-N 3.47Å; S322-T333 PolarHBondContact OG-OG1 3.39Å; S322-F393 WeakPolarHBondContact OG-CE1 3.24Å |
| 323 | F | 91.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -22.2 | 175.8 | -79.7 | -69.9 | 0 | 0 | 0 | 113.2 | V130 Y133 A137 I319 G320 A321 V325 G330 F331 | V130-F323 HydrophobicContact CG1-CB 3.87Å; Y133-F323 HydrophobicContact CG-CE1 4.37Å; A137-F323 HydrophobicContact CB-CE2 4.01Å; A137-F323 HydrophobicContact CB-CZ 4.33Å; I319-F323 HydrophobicContact CG2-CD2 3.7Å; I319-F323 HydrophobicContact CG2-CE2 3.64Å; I319-F323 VanDerWaalsContact O-CD2 3.29Å; I319-F323 WeakPolarHBondContact O-CD2 3.3Å; I319-F323 PolarHBondContact O-N 3.33Å; G320-F323 PolarHBondContact O-N 3.44Å; A321-F323 PolarHBondContact O-N 3.47Å; F323-V325 VanDerWaalsContact C-N 3.31Å; F323-G330 VanDerWaalsContact CZ-C 3.44Å; F323-F331 HydrophobicContact CE1-CD2 4.36Å |
| 324 | T | 87.3 | Confident | 90.9 | Very high | 42 Ų | 42 | 18.1 Ų | 18.1 | 26% | 0.258 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -73.5 | -22.9 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | V130 G320 A321 S322 I381 | V130-T324 HydrophobicContact CG1-CG2 4.32Å; G320-T324 WeakPolarHBondContact O-CG2 3.38Å; G320-T324 PolarHBondContact O-N 2.99Å; A321-T324 PolarHBondContact O-N 3.25Å; A321-T324 VanDerWaalsContact O-N 3.16Å; A321-T324 PolarHBondContact O-OG1 2.86Å; S322-T324 PolarHBondContact O-N 3.49Å; T324-I381 HydrophobicContact CG2-CB 4.49Å; T324-I381 HydrophobicContact CG2-CG2 4.29Å |
| 325 | V | 82.7 | Confident | 90.8 | Very high | 56 Ų | 56 | 19.1 Ų | 19.1 | 34% | 0.339 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -82.6 | -55.7 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | E186 A321 S322 F323 P389 F393 | E186-V325 WeakPolarHBondContact OE1-CG1 3.26Å; A321-V325 PolarHBondContact O-N 3.28Å; S322-V325 PolarHBondContact O-N 3.46Å; S322-V325 VanDerWaalsContact O-N 3.12Å; F323-V325 VanDerWaalsContact C-N 3.31Å; V325-P389 HydrophobicContact CG2-CB 4.31Å; V325-P389 HydrophobicContact CG2-CG 3.57Å; V325-F393 HydrophobicContact CG2-CE2 3.64Å; V325-F393 HydrophobicContact CG2-CZ 3.65Å |
| 326 | S | 83.8 | Confident | 90.7 | Very high | 49 Ų | 49 | 19.1 Ų | 19.1 | 34% | 0.343 | 11% | 0.112 | S | C | . | . | trans | -161.5 | 154 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | S322 L328 A329 G330 | S322-S326 PolarHBondContact O-N 3.47Å; S326-L328 PolarHBondContact O-N 3.28Å; S326-A329 PolarHBondContact O-N 3.48Å; S326-A329 WeakPolarHBondContact OG-CB 3.48Å; S326-A329 PolarHBondContact OG-N 2.92Å; S326-G330 PolarHBondContact O-N 3.36Å | ||
| 327 | V | 84.7 | Confident | 90.6 | Very high | 36 Ų | 36 | 19.1 Ų | 19.1 | 22% | 0.218 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -40.4 | 174.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Y133 G330 F331 L455 | Y133-V327 HydrophobicContact CD2-CG1 4.5Å; Y133-V327 HydrophobicContact CD2-CG2 4.38Å; Y133-V327 HydrophobicContact CE2-CG1 4.43Å; Y133-V327 HydrophobicContact CE2-CG2 4.31Å; V327-G330 PolarHBondContact O-N 3.1Å; V327-F331 HydrophobicContact CG1-CD2 3.58Å; V327-F331 HydrophobicContact CG1-CE2 3.4Å; V327-F331 WeakPolarHBondContact O-CD2 3.34Å; V327-F331 PolarHBondContact O-N 2.53Å; V327-L455 HydrophobicContact CG1-CD1 3.89Å |
| 328 | L | 83.5 | Confident | 90.5 | Very high | 26 Ų | 26 | 19.9 Ų | 19.9 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.3 | -40.5 | -178.8 | -168.5 | 78.9 | 0 | 0 | 0 | 113.2 | S326 G330 F331 S332 I446 A450 I453 | S326-L328 PolarHBondContact O-N 3.28Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.48Å; L328-F331 PolarHBondContact O-N 3.43Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3Å; L328-I446 HydrophobicContact CD1-CG2 4.12Å; L328-I446 HydrophobicContact CD2-CG2 4.15Å; L328-I446 HydrophobicContact CG-CG2 3.93Å; L328-A450 HydrophobicContact CD2-CB 3.4Å; L328-I453 HydrophobicContact CD1-CD1 4.18Å |
| 329 | A | 84.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 20.7 Ų | 20.7 | 20% | 0.198 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S326 S332 T333 | S326-A329 PolarHBondContact O-N 3.48Å; S326-A329 WeakPolarHBondContact OG-CB 3.48Å; S326-A329 PolarHBondContact OG-N 2.92Å; A329-S332 PolarHBondContact O-N 3.09Å; A329-T333 VanDerWaalsContact O-CB 3.31Å; A329-T333 WeakPolarHBondContact O-CB 3.39Å; A329-T333 PolarHBondContact O-N 3.5Å; A329-T333 PolarHBondContact O-OG1 2.9Å; A329-T333 VanDerWaalsContact O-OG1 3.06Å |
| 330 | G | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F323 S326 V327 L328 S332 T333 S334 | F323-G330 VanDerWaalsContact CZ-C 3.44Å; S326-G330 PolarHBondContact O-N 3.36Å; V327-G330 PolarHBondContact O-N 3.1Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.48Å; G330-S332 PolarHBondContact O-N 3Å; G330-T333 PolarHBondContact O-N 3.34Å; G330-S334 VanDerWaalsContact O-CB 3.31Å; G330-S334 WeakPolarHBondContact O-CB 3.49Å; G330-S334 PolarHBondContact O-N 3.03Å; G330-S334 PolarHBondContact O-OG 2.94Å |
| 331 | F | 90.1 | Very high | 89.9 | Confident | 80 Ų | 80 | 20.8 Ų | 20.8 | 35% | 0.351 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.8 | -84.5 | -62.4 | 0 | 0 | 0 | 113.3 | Y133 F323 V327 L328 T335 L455 | Y133-F331 HydrophobicContact CD1-CE2 4.43Å; Y133-F331 AromaticContact CD1-CZ 3.99Å; Y133-F331 HydrophobicContact CD1-CZ 3.99Å; Y133-F331 HydrophobicContact CE1-CZ 4.32Å; F323-F331 HydrophobicContact CE1-CD2 4.36Å; V327-F331 HydrophobicContact CG1-CD2 3.58Å; V327-F331 HydrophobicContact CG1-CE2 3.4Å; V327-F331 WeakPolarHBondContact O-CD2 3.34Å; V327-F331 PolarHBondContact O-N 2.53Å; L328-F331 PolarHBondContact O-N 3.43Å; F331-T335 WeakPolarHBondContact O-CB 3.39Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3.44Å; F331-L455 HydrophobicContact CD2-CD1 4.49Å |
| 332 | S | 90.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 178.1 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | Q182 L328 A329 G330 S334 T335 A336 | Q182-S332 PolarHBondContact NE2-OG 3.12Å; Q182-S332 PolarHBondContact OE1-OG 3.25Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3Å; A329-S332 PolarHBondContact O-N 3.09Å; G330-S332 PolarHBondContact O-N 3Å; S332-S334 PolarHBondContact O-N 3.42Å; S332-T335 WeakPolarHBondContact O-CB 3.37Å; S332-T335 PolarHBondContact O-N 3.08Å; S332-T335 VanDerWaalsContact O-N 3.13Å; S332-A336 PolarHBondContact O-N 3.03Å |
| 333 | T | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 179.3 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | V318 I319 S322 A329 G330 T335 A336 I337 | V318-T333 HydrophobicContact CG1-CG2 3.44Å; V318-T333 VanDerWaalsContact CG1-CG2 3.44Å; I319-T333 HydrophobicContact CG1-CG2 4.32Å; S322-T333 PolarHBondContact OG-OG1 3.39Å; A329-T333 VanDerWaalsContact O-CB 3.31Å; A329-T333 WeakPolarHBondContact O-CB 3.39Å; A329-T333 PolarHBondContact O-N 3.5Å; A329-T333 PolarHBondContact O-OG1 2.9Å; A329-T333 VanDerWaalsContact O-OG1 3.06Å; G330-T333 PolarHBondContact O-N 3.34Å; T333-T335 VanDerWaalsContact C-N 3.3Å; T333-T335 PolarHBondContact O-N 3.4Å; T333-A336 WeakPolarHBondContact O-CB 3.08Å; T333-A336 PolarHBondContact O-N 3.48Å; T333-I337 HydrophobicContact CG2-CD1 3.81Å; T333-I337 WeakPolarHBondContact O-CG1 3.46Å; T333-I337 PolarHBondContact O-N 3.06Å |
| 334 | S | 95.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 176 | -62 | 0 | 0 | 0 | 0 | 112.4 | A137 G330 S332 V338 | A137-S334 WeakPolarHBondContact CB-OG 3.31Å; G330-S334 VanDerWaalsContact O-CB 3.31Å; G330-S334 WeakPolarHBondContact O-CB 3.49Å; G330-S334 PolarHBondContact O-N 3.03Å; G330-S334 PolarHBondContact O-OG 2.94Å; S332-S334 PolarHBondContact O-N 3.42Å; S334-V338 WeakPolarHBondContact O-CB 3.29Å; S334-V338 WeakPolarHBondContact O-CG2 3.48Å; S334-V338 PolarHBondContact O-N 3.33Å |
| 335 | T | 92.8 | Very high | 89.1 | Confident | 49 Ų | 49 | 21.8 Ų | 21.8 | 30% | 0.301 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | F331 S332 T333 C339 I442 | F331-T335 WeakPolarHBondContact O-CB 3.39Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3.44Å; S332-T335 WeakPolarHBondContact O-CB 3.37Å; S332-T335 PolarHBondContact O-N 3.08Å; S332-T335 VanDerWaalsContact O-N 3.13Å; T333-T335 VanDerWaalsContact C-N 3.3Å; T333-T335 PolarHBondContact O-N 3.4Å; T335-C339 PolarHBondContact O-N 3.37Å; T335-C339 PolarHBondContact O-SG 2.86Å; T335-I442 HydrophobicContact CG2-CG2 4.07Å |
| 336 | A | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N178 S332 T333 C339 E340 I443 | N178-A336 HydrophobicContact CB-CB 3.81Å; S332-A336 PolarHBondContact O-N 3.03Å; T333-A336 WeakPolarHBondContact O-CB 3.08Å; T333-A336 PolarHBondContact O-N 3.48Å; A336-C339 WeakPolarHBondContact O-CB 3.22Å; A336-C339 PolarHBondContact O-N 3.47Å; A336-E340 PolarHBondContact O-N 2.94Å; A336-I443 HydrophobicContact CB-CD1 4.19Å |
| 337 | I | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.8 | -65.4 | 160 | 0 | 0 | 0 | 111 | I141 D315 I319 T333 C339 E340 E341 F400 | I141-I337 HydrophobicContact CD1-CB 4.28Å; I141-I337 HydrophobicContact CD1-CG2 3.84Å; I141-I337 HydrophobicContact CG1-CG2 4.38Å; I141-I337 HydrophobicContact CG2-CG2 4.26Å; D315-I337 HydrophobicContact CB-CD1 3.96Å; D315-I337 HydrophobicContact CB-CG1 4.31Å; D315-I337 HydrophobicContact CB-CG2 3.9Å; I319-I337 HydrophobicContact CD1-CD1 3.64Å; I319-I337 HydrophobicContact CG1-CD1 3.42Å; I319-I337 VanDerWaalsContact CG1-CD1 3.42Å; T333-I337 HydrophobicContact CG2-CD1 3.81Å; T333-I337 WeakPolarHBondContact O-CG1 3.46Å; T333-I337 PolarHBondContact O-N 3.06Å; I337-C339 PolarHBondContact O-N 2.84Å; I337-C339 VanDerWaalsContact O-N 3.14Å; I337-E340 WeakPolarHBondContact O-CG 3.3Å; I337-E340 PolarHBondContact O-N 3.32Å; I337-E341 HydrophobicContact CG2-CG 3.83Å; I337-E341 WeakPolarHBondContact O-CG 3.23Å; I337-E341 PolarHBondContact O-N 3Å; I337-F400 HydrophobicContact CD1-CZ 3.9Å; I337-F400 HydrophobicContact CG1-CE2 4.15Å; I337-F400 HydrophobicContact CG1-CZ 3.59Å |
| 338 | V | 93.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 17.8 Ų | 17.8 | 25% | 0.248 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.9 | -40 | 174.3 | 158.6 | 0 | 0 | 0 | 0 | 111.8 | I140 I141 S334 E340 F342 | I140-V338 HydrophobicContact CG2-CG2 4.36Å; I141-V338 HydrophobicContact CB-CG2 4.27Å; I141-V338 HydrophobicContact CD1-CG2 4.31Å; I141-V338 HydrophobicContact CG1-CB 4.38Å; I141-V338 HydrophobicContact CG1-CG2 3.27Å; S334-V338 WeakPolarHBondContact O-CB 3.29Å; S334-V338 WeakPolarHBondContact O-CG2 3.48Å; S334-V338 PolarHBondContact O-N 3.33Å; V338-E340 VanDerWaalsContact C-N 3.33Å; V338-F342 PolarHBondContact O-N 3Å |
| 339 | C | 91.8 | Very high | 89.2 | Confident | 17 Ų | 17 | 17.4 Ų | 17.4 | 12% | 0.115 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.3 | -28.5 | -177.8 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | L170 A171 T174 T335 A336 I337 P343 | L170-C339 HydrophobicContact CD2-CB 4.41Å; L170-C339 HydrophobicContact CG-CB 4.36Å; A171-C339 WeakPolarHBondContact CB-O 3.49Å; T174-C339 HydrophobicContact CG2-CB 4.09Å; T174-C339 WeakPolarHBondContact OG1-CB 3.49Å; T335-C339 PolarHBondContact O-N 3.37Å; T335-C339 PolarHBondContact O-SG 2.86Å; A336-C339 WeakPolarHBondContact O-CB 3.22Å; A336-C339 PolarHBondContact O-N 3.47Å; I337-C339 PolarHBondContact O-N 2.84Å; I337-C339 VanDerWaalsContact O-N 3.14Å; C339-P343 WeakPolarHBondContact O-CD 3.46Å; C339-P343 WeakPolarHBondContact O-CG 3.07Å |
| 340 | E | 91.5 | Very high | 89 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -86.9 | -38 | 177.1 | 89.3 | -174.2 | 120.4 | 0 | 0 | 113.9 | A171 L175 A336 I337 V338 F342 P343 H344 I403 | A171-E340 HydrophobicContact CB-CB 4.07Å; L175-E340 HydrophobicContact CD1-CB 3.61Å; L175-E340 HydrophobicContact CD1-CG 4.25Å; L175-E340 WeakPolarHBondContact CD1-OE2 3.06Å; L175-E340 HydrophobicContact CD2-CB 4.01Å; L175-E340 HydrophobicContact CD2-CG 4.07Å; L175-E340 WeakPolarHBondContact CD2-OE1 3.23Å; L175-E340 WeakPolarHBondContact CD2-OE2 3.49Å; L175-E340 HydrophobicContact CG-CB 3.92Å; L175-E340 HydrophobicContact CG-CG 4.49Å; A336-E340 PolarHBondContact O-N 2.94Å; I337-E340 WeakPolarHBondContact O-CG 3.3Å; I337-E340 PolarHBondContact O-N 3.32Å; V338-E340 VanDerWaalsContact C-N 3.33Å; E340-F342 VanDerWaalsContact C-N 3.26Å; E340-F342 PolarHBondContact O-N 2.69Å; E340-P343 WeakPolarHBondContact O-CD 3.38Å; E340-P343 VanDerWaalsContact O-CG 3.23Å; E340-P343 WeakPolarHBondContact O-CG 3.32Å; E340-H344 VanDerWaalsContact O-CB 3.27Å; E340-H344 WeakPolarHBondContact O-CB 3.5Å; E340-H344 PolarHBondContact O-N 3.38Å; E340-I403 WeakPolarHBondContact OE2-CG2 3.27Å |
| 341 | E | 89.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | -178.5 | -74.4 | -46.8 | 109 | 0 | 0 | 111.3 | I141 H311 N312 I337 H344 E345 | I141-E341 HydrophobicContact CG2-CB 4.19Å; I141-E341 HydrophobicContact CG2-CG 3.7Å; H311-E341 IonicContact CE1-OE1 2.69Å; H311-E341 PolarHBondContact CE1-OE1 3.01Å; H311-E341 IonicContact CE1-OE2 3.81Å; H311-E341 IonicContact ND1-OE1 3.95Å; H311-E341 VanDerWaalsContact NE2-CD 3.31Å; H311-E341 IonicContact NE2-OE1 3.97Å; H311-E341 PolarHBondContact NE2-OE1 3.16Å; H311-E341 IonicContact NE2-OE2 3.89Å; H311-E341 PolarHBondContact NE2-OE2 3.23Å; N312-E341 PolarHBondContact OD1-OE2 2.91Å; I337-E341 HydrophobicContact CG2-CG 3.83Å; I337-E341 WeakPolarHBondContact O-CG 3.23Å; I337-E341 PolarHBondContact O-N 3Å; E341-H344 PolarHBondContact O-N 3.37Å; E341-E345 VanDerWaalsContact O-CB 3.26Å; E341-E345 WeakPolarHBondContact O-CB 3.14Å; E341-E345 WeakPolarHBondContact O-CG 3.12Å; E341-E345 PolarHBondContact O-N 2.67Å |
| 342 | F | 86.9 | Confident | 88.3 | Confident | 30 Ų | 30 | 19 Ų | 19 | 13% | 0.132 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | -179.9 | 176.4 | -95.3 | 0 | 0 | 0 | 113.6 | L151 F167 V338 E340 L346 | L151-F342 HydrophobicContact CD1-CE1 4.48Å; L151-F342 HydrophobicContact CD1-CE2 3.52Å; L151-F342 HydrophobicContact CD1-CZ 3.25Å; F167-F342 HydrophobicContact CB-CD1 4.03Å; F167-F342 HydrophobicContact CB-CE1 4.12Å; F167-F342 AromaticContact CD1-CD1 3.82Å; F167-F342 HydrophobicContact CD1-CD1 3.82Å; F167-F342 AromaticContact CD1-CE1 3.95Å; F167-F342 HydrophobicContact CD1-CE1 3.95Å; F167-F342 HydrophobicContact CD2-CD1 4.15Å; F167-F342 AromaticContact CD2-CE1 3.5Å; F167-F342 HydrophobicContact CD2-CE1 3.5Å; F167-F342 HydrophobicContact CD2-CZ 4.4Å; F167-F342 HydrophobicContact CE1-CD1 4.29Å; F167-F342 HydrophobicContact CE1-CE1 4.22Å; F167-F342 AromaticContact CE2-CE1 3.79Å; F167-F342 HydrophobicContact CE2-CE1 3.79Å; F167-F342 HydrophobicContact CE2-CZ 4.3Å; F167-F342 AromaticContact CG-CD1 3.75Å; F167-F342 HydrophobicContact CG-CD1 3.75Å; F167-F342 AromaticContact CG-CE1 3.6Å; F167-F342 HydrophobicContact CG-CE1 3.6Å; F167-F342 HydrophobicContact CZ-CE1 4.14Å; V338-F342 PolarHBondContact O-N 3Å; E340-F342 VanDerWaalsContact C-N 3.26Å; E340-F342 PolarHBondContact O-N 2.69Å; F342-L346 WeakPolarHBondContact O-CB 3.25Å; F342-L346 PolarHBondContact O-N 2.9Å |
| 343 | P | 85.9 | Confident | 88 | Confident | 7 Ų | 7 | 21.6 Ų | 21.6 | 5% | 0.045 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.7 | -37 | 173.8 | 25.6 | -32.4 | 0 | 0 | 0 | 113.4 | L164 I168 A171 C339 E340 L346 G347 | L164-P343 HydrophobicContact CD1-CB 4.38Å; I168-P343 HydrophobicContact CG1-CB 3.75Å; A171-P343 HydrophobicContact CB-CG 3.93Å; C339-P343 WeakPolarHBondContact O-CD 3.46Å; C339-P343 WeakPolarHBondContact O-CG 3.07Å; E340-P343 WeakPolarHBondContact O-CD 3.38Å; E340-P343 VanDerWaalsContact O-CG 3.23Å; E340-P343 WeakPolarHBondContact O-CG 3.32Å; P343-L346 PolarHBondContact O-N 3.04Å; P343-G347 PolarHBondContact O-N 2.9Å; P343-G347 VanDerWaalsContact O-N 3.09Å |
| 344 | H | 86.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -52.6 | -177.7 | -172.5 | -101.4 | 0 | 0 | 0 | 111.5 | D308 H311 E340 E341 L346 G347 D348 D407 M408 | D308-H344 IonicContact OD1-CE1 3.59Å; D308-H344 PolarHBondContact OD1-CE1 3.14Å; D308-H344 IonicContact OD1-ND1 2.87Å; D308-H344 PolarHBondContact OD1-ND1 3.33Å; H311-H344 AromaticContact CE1-CE1 3.61Å; H311-H344 AromaticContact CE1-CG 3.98Å; H311-H344 AromaticContact CE1-ND1 3.36Å; H311-H344 PolarHBondContact CE1-ND1 3.09Å; H311-H344 AromaticContact ND1-CE1 3.92Å; H311-H344 AromaticContact NE2-ND1 3.7Å; E340-H344 VanDerWaalsContact O-CB 3.27Å; E340-H344 WeakPolarHBondContact O-CB 3.5Å; E340-H344 PolarHBondContact O-N 3.38Å; E341-H344 PolarHBondContact O-N 3.37Å; H344-L346 VanDerWaalsContact C-N 3.25Å; H344-L346 PolarHBondContact O-N 3.35Å; H344-G347 WeakPolarHBondContact O-CA 3.48Å; H344-G347 PolarHBondContact O-N 2.99Å; H344-D348 IonicContact CE1-OD2 2.68Å; H344-D348 PolarHBondContact O-N 3Å; H344-D407 IonicContact CD2-OD2 3.16Å; H344-M408 HydrophobicContact CB-CE 4.36Å |
| 345 | E | 85.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -33.2 | 178.8 | -76.6 | -147.3 | -175.4 | 0 | 0 | 113.1 | S145 E341 G347 F349 N366 | S145-E345 VanDerWaalsContact CA-CD 3.45Å; S145-E345 WeakPolarHBondContact CA-OE2 3.49Å; S145-E345 WeakPolarHBondContact CB-OE1 3.31Å; S145-E345 WeakPolarHBondContact CB-OE2 3.39Å; S145-E345 PolarHBondContact OG-OE1 3.2Å; S145-E345 PolarHBondContact OG-OE2 3.41Å; E341-E345 VanDerWaalsContact O-CB 3.26Å; E341-E345 WeakPolarHBondContact O-CB 3.14Å; E341-E345 WeakPolarHBondContact O-CG 3.12Å; E341-E345 PolarHBondContact O-N 2.67Å; E345-G347 VanDerWaalsContact C-N 3.34Å; E345-F349 VanDerWaalsContact O-CB 3.26Å; E345-F349 WeakPolarHBondContact O-CB 3.5Å; E345-F349 PolarHBondContact O-N 3.35Å; E345-N366 PolarHBondContact OE2-ND2 2.92Å |
| 346 | L | 84.4 | Confident | 86.2 | Confident | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 175 | -169.9 | 143.2 | 0 | 0 | 0 | 111.3 | L151 F160 L164 F342 P343 H344 V350 | L151-L346 HydrophobicContact CB-CD1 4.46Å; F160-L346 HydrophobicContact CE1-CD2 4.2Å; F160-L346 HydrophobicContact CE2-CD1 4.23Å; F160-L346 HydrophobicContact CZ-CD1 3.71Å; F160-L346 HydrophobicContact CZ-CD2 3.77Å; F160-L346 HydrophobicContact CZ-CG 4.38Å; L164-L346 HydrophobicContact CD1-CD2 4.11Å; L164-L346 HydrophobicContact CD2-CD2 4.37Å; F342-L346 WeakPolarHBondContact O-CB 3.25Å; F342-L346 PolarHBondContact O-N 2.9Å; P343-L346 PolarHBondContact O-N 3.04Å; H344-L346 VanDerWaalsContact C-N 3.25Å; H344-L346 PolarHBondContact O-N 3.35Å; L346-V350 WeakPolarHBondContact O-CG2 3.35Å; L346-V350 PolarHBondContact O-N 3.14Å |
| 347 | G | 82.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 27.5 Ų | 27.5 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.3 | -50.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P343 H344 E345 F349 V350 I351 | P343-G347 PolarHBondContact O-N 2.9Å; P343-G347 VanDerWaalsContact O-N 3.09Å; H344-G347 WeakPolarHBondContact O-CA 3.48Å; H344-G347 PolarHBondContact O-N 2.99Å; E345-G347 VanDerWaalsContact C-N 3.34Å; G347-F349 VanDerWaalsContact C-N 3.32Å; G347-F349 PolarHBondContact O-N 3.15Å; G347-V350 WeakPolarHBondContact O-CB 3.43Å; G347-V350 PolarHBondContact O-N 3.17Å; G347-I351 WeakPolarHBondContact O-CG1 3.25Å; G347-I351 PolarHBondContact O-N 3.32Å |
| 348 | D | 84.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 179.2 | -88.3 | 3.8 | 0 | 0 | 0 | 112 | I304 H344 V350 I351 L352 | I304-D348 HydrophobicContact CG2-CB 4.4Å; I304-D348 WeakPolarHBondContact CG2-OD1 3.05Å; I304-D348 WeakPolarHBondContact CG2-OD2 3.49Å; H344-D348 IonicContact CE1-OD2 2.68Å; H344-D348 PolarHBondContact O-N 3Å; D348-V350 VanDerWaalsContact C-N 3.32Å; D348-V350 PolarHBondContact O-N 3.45Å; D348-I351 PolarHBondContact O-N 3.39Å; D348-I351 VanDerWaalsContact O-N 3.15Å; D348-L352 WeakPolarHBondContact O-CB 3.27Å; D348-L352 VanDerWaalsContact O-CG 3.28Å; D348-L352 WeakPolarHBondContact O-CG 3.25Å; D348-L352 PolarHBondContact O-N 2.99Å |
| 349 | F | 84.9 | Confident | 85 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 174.8 | 178.9 | -99.4 | 0 | 0 | 0 | 112.4 | L149 I152 E345 G347 L352 L353 V359 A362 V363 | L149-F349 HydrophobicContact CD1-CE2 4.21Å; L149-F349 HydrophobicContact CD1-CZ 4.07Å; I152-F349 HydrophobicContact CD1-CD1 4.32Å; I152-F349 HydrophobicContact CD1-CE1 3.29Å; I152-F349 HydrophobicContact CD1-CE2 4.5Å; I152-F349 HydrophobicContact CD1-CZ 3.4Å; I152-F349 HydrophobicContact CG1-CD1 4.5Å; I152-F349 HydrophobicContact CG1-CE1 3.76Å; I152-F349 HydrophobicContact CG1-CZ 4.36Å; E345-F349 VanDerWaalsContact O-CB 3.26Å; E345-F349 WeakPolarHBondContact O-CB 3.5Å; E345-F349 PolarHBondContact O-N 3.35Å; G347-F349 VanDerWaalsContact C-N 3.32Å; G347-F349 PolarHBondContact O-N 3.15Å; F349-L352 PolarHBondContact O-N 2.95Å; F349-L353 HydrophobicContact CD1-CD1 4.09Å; F349-L353 HydrophobicContact CE1-CD1 3.39Å; F349-L353 HydrophobicContact CE1-CG 4.14Å; F349-L353 HydrophobicContact CE2-CD1 4.45Å; F349-L353 HydrophobicContact CE2-CG 4.46Å; F349-L353 HydrophobicContact CZ-CD1 3.61Å; F349-L353 HydrophobicContact CZ-CD2 4.3Å; F349-L353 HydrophobicContact CZ-CG 4.07Å; F349-L353 WeakPolarHBondContact O-CG 3.22Å; F349-L353 PolarHBondContact O-N 3.25Å; F349-L353 VanDerWaalsContact O-N 3.13Å; F349-V359 HydrophobicContact CE2-CG1 4.41Å; F349-V359 HydrophobicContact CZ-CG1 4.07Å; F349-V359 HydrophobicContact CZ-CG2 4.37Å; F349-A362 HydrophobicContact CD2-CB 3.84Å; F349-A362 HydrophobicContact CE2-CB 3.76Å; F349-V363 HydrophobicContact CE2-CG2 3.97Å |
| 350 | V | 81.5 | Confident | 84.6 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L346 G347 D348 L353 N354 | L346-V350 WeakPolarHBondContact O-CG2 3.35Å; L346-V350 PolarHBondContact O-N 3.14Å; G347-V350 WeakPolarHBondContact O-CB 3.43Å; G347-V350 PolarHBondContact O-N 3.17Å; D348-V350 VanDerWaalsContact C-N 3.32Å; D348-V350 PolarHBondContact O-N 3.45Å; V350-L353 PolarHBondContact O-N 3.27Å; V350-N354 VanDerWaalsContact O-CG 3.32Å; V350-N354 PolarHBondContact O-N 3Å; V350-N354 PolarHBondContact O-ND2 3.04Å |
| 351 | I | 82.8 | Confident | 84.3 | Confident | 72 Ų | 72 | 32.7 Ų | 32.7 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 179.2 | -61.9 | 165.2 | 0 | 0 | 0 | 111.1 | I304 G347 D348 L353 N354 A355 | I304-I351 HydrophobicContact CD1-CB 4.28Å; I304-I351 HydrophobicContact CD1-CD1 4.48Å; I304-I351 HydrophobicContact CD1-CG2 3.37Å; G347-I351 WeakPolarHBondContact O-CG1 3.25Å; G347-I351 PolarHBondContact O-N 3.32Å; D348-I351 PolarHBondContact O-N 3.39Å; D348-I351 VanDerWaalsContact O-N 3.15Å; I351-L353 PolarHBondContact O-N 2.98Å; I351-N354 CarbonylContact O-C 3.44Å; I351-N354 PolarHBondContact O-N 3.2Å; I351-N354 VanDerWaalsContact O-N 3.17Å; I351-A355 WeakPolarHBondContact O-CB 3.31Å; I351-A355 PolarHBondContact O-N 3.48Å |
| 352 | L | 83.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.3 | -70.1 | 177 | 0 | 0 | 0 | 112.1 | A301 D348 F349 A355 G356 M357 A362 | A301-L352 HydrophobicContact CB-CD2 3.68Å; D348-L352 WeakPolarHBondContact O-CB 3.27Å; D348-L352 VanDerWaalsContact O-CG 3.28Å; D348-L352 WeakPolarHBondContact O-CG 3.25Å; D348-L352 PolarHBondContact O-N 2.99Å; F349-L352 PolarHBondContact O-N 2.95Å; L352-A355 WeakPolarHBondContact O-CB 3.4Å; L352-A355 PolarHBondContact O-N 3.37Å; L352-G356 PolarHBondContact O-N 3.13Å; L352-M357 HydrophobicContact CB-SD 3.96Å; L352-M357 HydrophobicContact CD1-SD 4.36Å; L352-M357 HydrophobicContact CD2-CE 4.32Å; L352-M357 HydrophobicContact CD2-SD 3.84Å; L352-M357 HydrophobicContact CG-SD 4.27Å; L352-M357 WeakPolarHBondContact O-CB 3.34Å; L352-M357 PolarHBondContact O-N 2.86Å; L352-A362 HydrophobicContact CB-CB 3.93Å; L352-A362 HydrophobicContact CD1-CB 4.33Å |
| 353 | L | 83.8 | Confident | 84 | Confident | 55 Ų | 55 | 32.4 Ų | 32.4 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 172.5 | -69.9 | -176.6 | 0 | 0 | 0 | 111.7 | F349 V350 I351 A355 G356 M357 V359 A362 | F349-L353 HydrophobicContact CD1-CD1 4.09Å; F349-L353 HydrophobicContact CE1-CD1 3.39Å; F349-L353 HydrophobicContact CE1-CG 4.14Å; F349-L353 HydrophobicContact CE2-CD1 4.45Å; F349-L353 HydrophobicContact CE2-CG 4.46Å; F349-L353 HydrophobicContact CZ-CD1 3.61Å; F349-L353 HydrophobicContact CZ-CD2 4.3Å; F349-L353 HydrophobicContact CZ-CG 4.07Å; F349-L353 WeakPolarHBondContact O-CG 3.22Å; F349-L353 PolarHBondContact O-N 3.25Å; F349-L353 VanDerWaalsContact O-N 3.13Å; V350-L353 PolarHBondContact O-N 3.27Å; I351-L353 PolarHBondContact O-N 2.98Å; L353-A355 PolarHBondContact O-N 2.91Å; L353-G356 PolarHBondContact O-N 3.07Å; L353-M357 WeakPolarHBondContact CD2-O 3.45Å; L353-V359 HydrophobicContact CD1-CG2 4.41Å; L353-V359 HydrophobicContact CD2-CB 4.5Å; L353-V359 HydrophobicContact CD2-CG2 3.85Å; L353-A362 HydrophobicContact CD2-CB 4.16Å |
| 354 | N | 81.8 | Confident | 84 | Confident | 118 Ų | 118 | 35.6 Ų | 35.6 | 63% | 0.631 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.3 | -23.4 | 176.8 | -72.1 | -21.7 | 0 | 0 | 0 | 113.1 | V350 I351 G356 | V350-N354 VanDerWaalsContact O-CG 3.32Å; V350-N354 PolarHBondContact O-N 3Å; V350-N354 PolarHBondContact O-ND2 3.04Å; I351-N354 CarbonylContact O-C 3.44Å; I351-N354 PolarHBondContact O-N 3.2Å; I351-N354 VanDerWaalsContact O-N 3.17Å; N354-G356 PolarHBondContact O-N 2.94Å |
| 355 | A | 82.9 | Confident | 84 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K298 A301 I351 L352 L353 | K298-A355 HydrophobicContact CB-CB 4.48Å; A301-A355 HydrophobicContact CB-CB 3.94Å; I351-A355 WeakPolarHBondContact O-CB 3.31Å; I351-A355 PolarHBondContact O-N 3.48Å; L352-A355 WeakPolarHBondContact O-CB 3.4Å; L352-A355 PolarHBondContact O-N 3.37Å; L353-A355 PolarHBondContact O-N 2.91Å |
| 356 | G | 80.6 | Confident | 84 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | 10.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L352 L353 N354 | L352-G356 PolarHBondContact O-N 3.13Å; L353-G356 PolarHBondContact O-N 3.07Å; N354-G356 PolarHBondContact O-N 2.94Å |
| 357 | M | 83.4 | Confident | 84.1 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | trans | -72.9 | 149.2 | 172 | -69.7 | -173.4 | 161.2 | 0 | 0 | 111.4 | I297 A301 L352 L353 Q361 A362 F365 | I297-M357 HydrophobicContact CD1-CE 3.8Å; I297-M357 HydrophobicContact CD1-CG 4.03Å; I297-M357 HydrophobicContact CG1-CG 4.48Å; I297-M357 HydrophobicContact CG2-CE 4.15Å; I297-M357 HydrophobicContact CG2-CG 4.33Å; A301-M357 HydrophobicContact CB-CE 4.38Å; L352-M357 HydrophobicContact CB-SD 3.96Å; L352-M357 HydrophobicContact CD1-SD 4.36Å; L352-M357 HydrophobicContact CD2-CE 4.32Å; L352-M357 HydrophobicContact CD2-SD 3.84Å; L352-M357 HydrophobicContact CG-SD 4.27Å; L352-M357 WeakPolarHBondContact O-CB 3.34Å; L352-M357 PolarHBondContact O-N 2.86Å; L353-M357 WeakPolarHBondContact CD2-O 3.45Å; M357-Q361 HydrophobicContact CB-CB 4.16Å; M357-A362 HydrophobicContact CB-CB 4.38Å; M357-F365 HydrophobicContact CE-CD2 3.3Å; M357-F365 HydrophobicContact CE-CE2 3.51Å; M357-F365 HydrophobicContact CE-CG 3.92Å; M357-F365 HydrophobicContact CE-CZ 4.26Å; M357-F365 HydrophobicContact SD-CD2 3.92Å; M357-F365 HydrophobicContact SD-CE2 4.5Å | ||
| 358 | S | 85.5 | Confident | 84.4 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | trans | -75.1 | 159.3 | 167 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | Q361 A362 | S358-Q361 WeakPolarHBondContact O-CB 3.39Å; S358-Q361 PolarHBondContact O-N 3.41Å; S358-Q361 VanDerWaalsContact OG-CG 3.25Å; S358-Q361 WeakPolarHBondContact OG-CG 3.41Å; S358-Q361 PolarHBondContact OG-N 3.15Å; S358-Q361 PolarHBondContact OG-OE1 3.18Å; S358-A362 PolarHBondContact O-N 3.49Å | ||
| 359 | V | 85.3 | Confident | 84.7 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -52.4 | -47.8 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | L149 F349 L353 Q361 A362 V363 | L149-V359 HydrophobicContact CD1-CG1 4.01Å; F349-V359 HydrophobicContact CE2-CG1 4.41Å; F349-V359 HydrophobicContact CZ-CG1 4.07Å; F349-V359 HydrophobicContact CZ-CG2 4.37Å; L353-V359 HydrophobicContact CD1-CG2 4.41Å; L353-V359 HydrophobicContact CD2-CB 4.5Å; L353-V359 HydrophobicContact CD2-CG2 3.85Å; V359-Q361 VanDerWaalsContact C-N 3.31Å; V359-Q361 PolarHBondContact O-N 3.37Å; V359-A362 PolarHBondContact O-N 3.31Å; V359-V363 HydrophobicContact CG1-CG2 4.48Å; V359-V363 VanDerWaalsContact O-CG2 3.27Å; V359-V363 WeakPolarHBondContact O-CG2 3.46Å; V359-V363 PolarHBondContact O-N 3.16Å |
| 360 | P | 84.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -32.8 | 176.9 | -22.2 | 34 | 0 | 0 | 0 | 113.9 | W288 F364 | W288-P360 HydrophobicContact CE3-CB 4.09Å; W288-P360 HydrophobicContact CZ3-CB 4.49Å; P360-F364 WeakPolarHBondContact O-CB 3.23Å; P360-F364 PolarHBondContact O-N 3.39Å; P360-F364 VanDerWaalsContact O-N 3.08Å |
| 361 | Q | 84.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -49.5 | 176.5 | -74.1 | 173.4 | -25.4 | 0 | 0 | 110.7 | K292 M357 S358 V359 V363 F364 F365 | K292-Q361 PolarHBondContact O-NE2 3.35Å; M357-Q361 HydrophobicContact CB-CB 4.16Å; S358-Q361 WeakPolarHBondContact O-CB 3.39Å; S358-Q361 PolarHBondContact O-N 3.41Å; S358-Q361 VanDerWaalsContact OG-CG 3.25Å; S358-Q361 WeakPolarHBondContact OG-CG 3.41Å; S358-Q361 PolarHBondContact OG-N 3.15Å; S358-Q361 PolarHBondContact OG-OE1 3.18Å; V359-Q361 VanDerWaalsContact C-N 3.31Å; V359-Q361 PolarHBondContact O-N 3.37Å; Q361-V363 VanDerWaalsContact C-N 3.32Å; Q361-V363 PolarHBondContact O-N 3.47Å; Q361-F364 WeakPolarHBondContact O-CB 3.38Å; Q361-F364 PolarHBondContact O-N 3.42Å; Q361-F364 VanDerWaalsContact O-N 3.12Å; Q361-F365 VanDerWaalsContact O-CD2 3.24Å; Q361-F365 WeakPolarHBondContact O-CD2 3.04Å; Q361-F365 PolarHBondContact O-N 3.11Å |
| 362 | A | 85.1 | Confident | 86 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F349 L352 L353 M357 S358 V359 F364 F365 N366 | F349-A362 HydrophobicContact CD2-CB 3.84Å; F349-A362 HydrophobicContact CE2-CB 3.76Å; L352-A362 HydrophobicContact CB-CB 3.93Å; L352-A362 HydrophobicContact CD1-CB 4.33Å; L353-A362 HydrophobicContact CD2-CB 4.16Å; M357-A362 HydrophobicContact CB-CB 4.38Å; S358-A362 PolarHBondContact O-N 3.49Å; V359-A362 PolarHBondContact O-N 3.31Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 2.85Å; A362-F365 PolarHBondContact O-N 2.95Å; A362-N366 PolarHBondContact O-N 2.75Å |
| 363 | V | 84.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 112 | L146 L149 F349 V359 Q361 F365 N366 L367 | L146-V363 HydrophobicContact CD2-CG1 4.38Å; L149-V363 HydrophobicContact CD1-CG2 3.57Å; L149-V363 HydrophobicContact CD2-CG2 4.04Å; L149-V363 HydrophobicContact CG-CG2 4.37Å; F349-V363 HydrophobicContact CE2-CG2 3.97Å; V359-V363 HydrophobicContact CG1-CG2 4.48Å; V359-V363 VanDerWaalsContact O-CG2 3.27Å; V359-V363 WeakPolarHBondContact O-CG2 3.46Å; V359-V363 PolarHBondContact O-N 3.16Å; Q361-V363 VanDerWaalsContact C-N 3.32Å; Q361-V363 PolarHBondContact O-N 3.47Å; V363-F365 PolarHBondContact O-N 3.31Å; V363-N366 PolarHBondContact O-N 3.11Å; V363-L367 WeakPolarHBondContact O-CB 3.33Å; V363-L367 PolarHBondContact O-N 3.33Å |
| 364 | F | 86.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 37.5 Ų | 37.5 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | -179.7 | 175.6 | -97.5 | 0 | 0 | 0 | 112 | P360 Q361 A362 L368 | P360-F364 WeakPolarHBondContact O-CB 3.23Å; P360-F364 PolarHBondContact O-N 3.39Å; P360-F364 VanDerWaalsContact O-N 3.08Å; Q361-F364 WeakPolarHBondContact O-CB 3.38Å; Q361-F364 PolarHBondContact O-N 3.42Å; Q361-F364 VanDerWaalsContact O-N 3.12Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 2.85Å; F364-L368 HydrophobicContact CE1-CD2 4.3Å; F364-L368 VanDerWaalsContact O-CB 3.25Å; F364-L368 WeakPolarHBondContact O-CB 3.48Å; F364-L368 PolarHBondContact O-N 2.85Å |
| 365 | F | 86.1 | Confident | 87.9 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 178.5 | -79 | -75.4 | 0 | 0 | 0 | 112.7 | W302 M357 Q361 A362 V363 L368 S369 | W302-F365 AromaticContact CH2-CE1 3.61Å; W302-F365 HydrophobicContact CH2-CE1 3.61Å; W302-F365 AromaticContact CH2-CZ 3.67Å; W302-F365 HydrophobicContact CH2-CZ 3.67Å; W302-F365 HydrophobicContact CZ2-CZ 4.45Å; W302-F365 HydrophobicContact CZ3-CD1 4.34Å; W302-F365 AromaticContact CZ3-CE1 3.52Å; W302-F365 HydrophobicContact CZ3-CE1 3.52Å; W302-F365 HydrophobicContact CZ3-CZ 4.07Å; M357-F365 HydrophobicContact CE-CD2 3.3Å; M357-F365 HydrophobicContact CE-CE2 3.51Å; M357-F365 HydrophobicContact CE-CG 3.92Å; M357-F365 HydrophobicContact CE-CZ 4.26Å; M357-F365 HydrophobicContact SD-CD2 3.92Å; M357-F365 HydrophobicContact SD-CE2 4.5Å; Q361-F365 VanDerWaalsContact O-CD2 3.24Å; Q361-F365 WeakPolarHBondContact O-CD2 3.04Å; Q361-F365 PolarHBondContact O-N 3.11Å; A362-F365 PolarHBondContact O-N 2.95Å; V363-F365 PolarHBondContact O-N 3.31Å; F365-L368 PolarHBondContact O-N 3.41Å; F365-S369 PolarHBondContact O-N 3.45Å |
| 366 | N | 85.5 | Confident | 88.6 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 172.7 | -132.2 | 47.7 | 0 | 0 | 0 | 111.1 | E345 A362 V363 L368 S369 A370 | E345-N366 PolarHBondContact OE2-ND2 2.92Å; A362-N366 PolarHBondContact O-N 2.75Å; V363-N366 PolarHBondContact O-N 3.11Å; N366-L368 VanDerWaalsContact C-N 3.29Å; N366-L368 PolarHBondContact O-N 3.34Å; N366-S369 WeakPolarHBondContact O-CB 3.47Å; N366-S369 PolarHBondContact O-N 3.07Å; N366-S369 VanDerWaalsContact O-N 3.17Å; N366-A370 PolarHBondContact O-N 3.18Å |
| 367 | L | 86.5 | Confident | 89.3 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 33% | 0.33 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -38.1 | -179.9 | -175.5 | 65.3 | 0 | 0 | 0 | 111.7 | L146 V363 S369 A370 M371 | L146-L367 HydrophobicContact CD1-CD1 4.27Å; L146-L367 HydrophobicContact CD2-CD1 4.45Å; V363-L367 WeakPolarHBondContact O-CB 3.33Å; V363-L367 PolarHBondContact O-N 3.33Å; L367-S369 VanDerWaalsContact C-N 3.33Å; L367-A370 PolarHBondContact O-N 2.6Å; L367-M371 HydrophobicContact CD1-CE 3.69Å; L367-M371 HydrophobicContact CG-CE 4.27Å; L367-M371 WeakPolarHBondContact O-CG 3.25Å; L367-M371 PolarHBondContact O-N 3.3Å; L367-M371 VanDerWaalsContact O-N 3.09Å |
| 368 | L | 88.7 | Confident | 89.9 | Confident | 94 Ų | 94 | 34.6 Ų | 34.6 | 49% | 0.492 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.1 | -177.9 | 64.4 | 0 | 0 | 0 | 111.5 | F364 F365 N366 M371 | F364-L368 HydrophobicContact CE1-CD2 4.3Å; F364-L368 VanDerWaalsContact O-CB 3.25Å; F364-L368 WeakPolarHBondContact O-CB 3.48Å; F364-L368 PolarHBondContact O-N 2.85Å; F365-L368 PolarHBondContact O-N 3.41Å; N366-L368 VanDerWaalsContact C-N 3.29Å; N366-L368 PolarHBondContact O-N 3.34Å; L368-M371 PolarHBondContact O-N 2.93Å |
| 369 | S | 90.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | D308 A309 N312 F365 N366 L367 M371 S372 | D308-S369 WeakPolarHBondContact CB-OG 2.93Å; D308-S369 PolarHBondContact O-OG 3.02Å; D308-S369 WeakPolarHBondContact OD2-CB 3.43Å; D308-S369 PolarHBondContact OD2-OG 3.28Å; A309-S369 WeakPolarHBondContact CA-OG 3.47Å; A309-S369 PolarHBondContact N-OG 3.24Å; N312-S369 PolarHBondContact ND2-OG 3.4Å; F365-S369 PolarHBondContact O-N 3.45Å; N366-S369 WeakPolarHBondContact O-CB 3.47Å; N366-S369 PolarHBondContact O-N 3.07Å; N366-S369 VanDerWaalsContact O-N 3.17Å; L367-S369 VanDerWaalsContact C-N 3.33Å; S369-M371 PolarHBondContact O-N 3.43Å; S369-M371 VanDerWaalsContact O-N 3.12Å; S369-S372 WeakPolarHBondContact O-CB 3.46Å; S369-S372 PolarHBondContact O-N 3.32Å; S369-S372 PolarHBondContact O-OG 3Å |
| 370 | A | 89.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -25.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N142 N366 L367 S372 C373 | N142-A370 PolarHBondContact ND2-O 3.17Å; N142-A370 VanDerWaalsContact ND2-O 3.1Å; N366-A370 PolarHBondContact O-N 3.18Å; L367-A370 PolarHBondContact O-N 2.6Å; A370-S372 PolarHBondContact O-N 3.12Å; A370-C373 VanDerWaalsContact O-CB 3.27Å; A370-C373 WeakPolarHBondContact O-CB 3.24Å; A370-C373 PolarHBondContact O-N 3.37Å |
| 371 | M | 91.6 | Very high | 91 | Very high | 75 Ų | 75 | 32 Ų | 32 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.7 | -24.2 | 173.9 | -68.8 | -52.8 | 95.4 | 0 | 0 | 113.1 | N142 L367 L368 S369 C373 Y374 | N142-M371 WeakPolarHBondContact ND2-CE 3.28Å; L367-M371 HydrophobicContact CD1-CE 3.69Å; L367-M371 HydrophobicContact CG-CE 4.27Å; L367-M371 WeakPolarHBondContact O-CG 3.25Å; L367-M371 PolarHBondContact O-N 3.3Å; L367-M371 VanDerWaalsContact O-N 3.09Å; L368-M371 PolarHBondContact O-N 2.93Å; S369-M371 PolarHBondContact O-N 3.43Å; S369-M371 VanDerWaalsContact O-N 3.12Å; M371-C373 PolarHBondContact O-N 2.8Å; M371-Y374 HydrophobicContact CE-CD2 4.24Å; M371-Y374 HydrophobicContact CE-CE2 3.89Å; M371-Y374 PolarHBondContact O-N 3.2Å; M371-Y374 HydrophobicContact SD-CD2 3.95Å; M371-Y374 HydrophobicContact SD-CE2 3.95Å |
| 372 | S | 95.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 36 Ų | 36 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -26.6 | 174.6 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | A309 N312 F313 S369 A370 Y374 V375 G376 | A309-S372 WeakPolarHBondContact O-CB 3.49Å; A309-S372 PolarHBondContact O-OG 2.96Å; N312-S372 WeakPolarHBondContact CB-OG 3.45Å; F313-S372 PolarHBondContact N-OG 3.17Å; S369-S372 WeakPolarHBondContact O-CB 3.46Å; S369-S372 PolarHBondContact O-N 3.32Å; S369-S372 PolarHBondContact O-OG 3Å; A370-S372 PolarHBondContact O-N 3.12Å; S372-Y374 VanDerWaalsContact C-N 3.34Å; S372-Y374 PolarHBondContact O-N 3.36Å; S372-V375 WeakPolarHBondContact O-CA 3.28Å; S372-V375 WeakPolarHBondContact O-CB 3.49Å; S372-V375 PolarHBondContact O-N 2.93Å; S372-G376 PolarHBondContact O-N 3.45Å |
| 373 | C | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | V138 N312 G316 A370 M371 V375 G376 L377 | V138-C373 HydrophobicContact CG1-CB 4Å; N312-C373 HydrophobicContact CB-CB 4.21Å; N312-C373 WeakPolarHBondContact O-CA 3.47Å; N312-C373 VanDerWaalsContact O-CB 3.3Å; N312-C373 WeakPolarHBondContact O-CB 3.42Å; G316-C373 VanDerWaalsContact CA-O 3.3Å; G316-C373 WeakPolarHBondContact CA-O 3.4Å; G316-C373 WeakPolarHBondContact CA-SG 3.5Å; G316-C373 PolarHBondContact N-SG 2.89Å; A370-C373 VanDerWaalsContact O-CB 3.27Å; A370-C373 WeakPolarHBondContact O-CB 3.24Å; A370-C373 PolarHBondContact O-N 3.37Å; M371-C373 PolarHBondContact O-N 2.8Å; C373-V375 VanDerWaalsContact C-N 3.32Å; C373-V375 PolarHBondContact O-N 2.98Å; C373-G376 PolarHBondContact O-N 3.09Å; C373-L377 WeakPolarHBondContact O-CB 3.26Å; C373-L377 PolarHBondContact O-N 3.1Å |
| 374 | Y | 96.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 22% | 0.216 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 172 | -72.1 | -68.3 | 0 | 0 | 0 | 112.5 | F135 V138 T139 N142 M371 S372 L377 V378 | F135-Y374 AromaticContact CD1-CD1 3.6Å; F135-Y374 HydrophobicContact CD1-CD1 3.6Å; F135-Y374 AromaticContact CD1-CE1 3.7Å; F135-Y374 HydrophobicContact CD1-CE1 3.7Å; F135-Y374 AromaticContact CE1-CD1 3.68Å; F135-Y374 HydrophobicContact CE1-CD1 3.68Å; F135-Y374 HydrophobicContact CE1-CE1 4.2Å; V138-Y374 HydrophobicContact CB-CD1 4.05Å; V138-Y374 HydrophobicContact CB-CE1 3.84Å; V138-Y374 HydrophobicContact CG1-CD1 3.51Å; V138-Y374 HydrophobicContact CG1-CD2 4.13Å; V138-Y374 HydrophobicContact CG1-CE1 3.47Å; V138-Y374 VanDerWaalsContact CG1-CE1 3.47Å; V138-Y374 HydrophobicContact CG1-CE2 4.11Å; V138-Y374 HydrophobicContact CG1-CG 3.85Å; T139-Y374 WeakPolarHBondContact CA-OH 3.45Å; T139-Y374 PolarHBondContact OG1-OH 3.26Å; N142-Y374 WeakPolarHBondContact ND2-CE2 3.41Å; M371-Y374 HydrophobicContact CE-CD2 4.24Å; M371-Y374 HydrophobicContact CE-CE2 3.89Å; M371-Y374 PolarHBondContact O-N 3.2Å; M371-Y374 HydrophobicContact SD-CD2 3.95Å; M371-Y374 HydrophobicContact SD-CE2 3.95Å; S372-Y374 VanDerWaalsContact C-N 3.34Å; S372-Y374 PolarHBondContact O-N 3.36Å; Y374-L377 PolarHBondContact O-N 3.31Å; Y374-V378 WeakPolarHBondContact O-CG2 3.45Å; Y374-V378 PolarHBondContact O-N 2.92Å; Y374-V378 VanDerWaalsContact O-N 3.15Å |
| 375 | V | 96.6 | Very high | 90.9 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 44% | 0.442 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.9 | -47.9 | 176 | -175.6 | 0 | 0 | 0 | 0 | 109 | F313 S372 C373 L377 V378 F379 | F313-V375 HydrophobicContact CD2-CB 4.37Å; F313-V375 HydrophobicContact CD2-CG1 4.34Å; F313-V375 HydrophobicContact CE2-CG1 4.11Å; S372-V375 WeakPolarHBondContact O-CA 3.28Å; S372-V375 WeakPolarHBondContact O-CB 3.49Å; S372-V375 PolarHBondContact O-N 2.93Å; C373-V375 VanDerWaalsContact C-N 3.32Å; C373-V375 PolarHBondContact O-N 2.98Å; V375-L377 VanDerWaalsContact C-N 3.34Å; V375-L377 PolarHBondContact O-N 2.95Å; V375-V378 PolarHBondContact O-N 3.43Å; V375-F379 HydrophobicContact CG1-CD2 3.92Å; V375-F379 HydrophobicContact CG1-CE2 3.86Å; V375-F379 WeakPolarHBondContact O-CD2 3.2Å; V375-F379 PolarHBondContact O-N 2.89Å; V375-F379 VanDerWaalsContact O-N 3.1Å |
| 376 | G | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -49.9 | -52.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F313 G316 L317 S372 C373 V378 F379 G380 | F313-G376 WeakPolarHBondContact O-CA 3.03Å; G316-G376 CarbonylContact O-C 3.48Å; L317-G376 VanDerWaalsContact CA-O 3.26Å; L317-G376 WeakPolarHBondContact CA-O 3.49Å; L317-G376 PolarHBondContact N-O 2.92Å; S372-G376 PolarHBondContact O-N 3.45Å; C373-G376 PolarHBondContact O-N 3.09Å; G376-V378 VanDerWaalsContact C-N 3.35Å; G376-V378 PolarHBondContact O-N 3.45Å; G376-F379 CarbonylContact O-C 3.57Å; G376-F379 PolarHBondContact O-N 3.43Å; G376-F379 VanDerWaalsContact O-N 3.11Å; G376-G380 PolarHBondContact O-N 2.72Å |
| 377 | L | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.3 | -49.1 | 179 | 177 | 74.1 | 0 | 0 | 0 | 112.6 | G134 F135 V138 G316 I319 C373 Y374 V375 F379 G380 I381 | G134-L377 VanDerWaalsContact C-CD2 3.46Å; F135-L377 HydrophobicContact CD1-CD2 4.05Å; F135-L377 HydrophobicContact CD2-CD2 4.32Å; F135-L377 HydrophobicContact CE1-CD2 4.32Å; F135-L377 HydrophobicContact CG-CD2 4.02Å; V138-L377 HydrophobicContact CG2-CB 4.13Å; V138-L377 HydrophobicContact CG2-CD1 4.22Å; V138-L377 HydrophobicContact CG2-CD2 3.94Å; V138-L377 HydrophobicContact CG2-CG 4.32Å; G316-L377 WeakPolarHBondContact O-CA 3.22Å; G316-L377 PolarHBondContact O-N 2.89Å; I319-L377 HydrophobicContact CB-CD1 4.38Å; I319-L377 HydrophobicContact CG2-CD1 3.84Å; C373-L377 WeakPolarHBondContact O-CB 3.26Å; C373-L377 PolarHBondContact O-N 3.1Å; Y374-L377 PolarHBondContact O-N 3.31Å; V375-L377 VanDerWaalsContact C-N 3.34Å; V375-L377 PolarHBondContact O-N 2.95Å; L377-F379 VanDerWaalsContact C-N 3.34Å; L377-F379 PolarHBondContact O-N 3.16Å; L377-G380 PolarHBondContact O-N 3.07Å; L377-G380 VanDerWaalsContact O-N 3.16Å; L377-I381 HydrophobicContact CD1-CD1 4.04Å; L377-I381 HydrophobicContact CD1-CG1 4.41Å; L377-I381 HydrophobicContact CG-CD1 4.07Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.46Å |
| 378 | V | 95.1 | Very high | 89.1 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | W131 F135 Y374 V375 G376 G380 L382 | W131-V378 HydrophobicContact CH2-CG1 4.36Å; W131-V378 HydrophobicContact CZ3-CG2 4.18Å; F135-V378 HydrophobicContact CZ-CG2 4.45Å; Y374-V378 WeakPolarHBondContact O-CG2 3.45Å; Y374-V378 PolarHBondContact O-N 2.92Å; Y374-V378 VanDerWaalsContact O-N 3.15Å; V375-V378 PolarHBondContact O-N 3.43Å; G376-V378 VanDerWaalsContact C-N 3.35Å; G376-V378 PolarHBondContact O-N 3.45Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 3.47Å; V378-L382 HydrophobicContact CG1-CD1 3.85Å; V378-L382 HydrophobicContact CG1-CG 4.44Å; V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 WeakPolarHBondContact O-CG 3.35Å; V378-L382 PolarHBondContact O-N 2.94Å |
| 379 | F | 93.9 | Very high | 88.7 | Confident | 103 Ų | 103 | 43.9 Ų | 43.9 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.5 | -83.2 | -84.6 | 0 | 0 | 0 | 112.2 | F313 L317 V375 G376 L377 L382 L383 | F313-F379 HydrophobicContact CE2-CD2 4.14Å; L317-F379 HydrophobicContact CD1-CB 3.85Å; V375-F379 HydrophobicContact CG1-CD2 3.92Å; V375-F379 HydrophobicContact CG1-CE2 3.86Å; V375-F379 WeakPolarHBondContact O-CD2 3.2Å; V375-F379 PolarHBondContact O-N 2.89Å; V375-F379 VanDerWaalsContact O-N 3.1Å; G376-F379 CarbonylContact O-C 3.57Å; G376-F379 PolarHBondContact O-N 3.43Å; G376-F379 VanDerWaalsContact O-N 3.11Å; L377-F379 VanDerWaalsContact C-N 3.34Å; L377-F379 PolarHBondContact O-N 3.16Å; F379-L382 PolarHBondContact O-N 3.36Å; F379-L383 WeakPolarHBondContact O-CB 2.71Å; F379-L383 VanDerWaalsContact O-CG 3.24Å; F379-L383 WeakPolarHBondContact O-CG 3.45Å; F379-L383 PolarHBondContact O-N 2.9Å |
| 380 | G | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L317 G376 L377 V378 G384 | L317-G380 VanDerWaalsContact O-CA 3.24Å; L317-G380 WeakPolarHBondContact O-CA 3.36Å; G376-G380 PolarHBondContact O-N 2.72Å; L377-G380 PolarHBondContact O-N 3.07Å; L377-G380 VanDerWaalsContact O-N 3.16Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 3.47Å; G380-G384 PolarHBondContact O-N 3.28Å |
| 381 | I | 91.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -47 | 176.2 | -64.6 | 171 | 0 | 0 | 0 | 110.6 | V130 W131 T324 L377 N385 | V130-I381 HydrophobicContact CG1-CD1 4.2Å; V130-I381 HydrophobicContact CG1-CG1 4.16Å; V130-I381 HydrophobicContact CG1-CG2 4.29Å; W131-I381 HydrophobicContact CD2-CD1 3.94Å; W131-I381 HydrophobicContact CD2-CG2 4.37Å; W131-I381 HydrophobicContact CE3-CD1 3.83Å; W131-I381 HydrophobicContact CG-CD1 4.39Å; W131-I381 HydrophobicContact CH2-CG2 4.41Å; W131-I381 HydrophobicContact CZ2-CB 4.43Å; W131-I381 HydrophobicContact CZ2-CG2 3.78Å; W131-I381 HydrophobicContact CZ3-CD1 4.24Å; T324-I381 HydrophobicContact CG2-CB 4.49Å; T324-I381 HydrophobicContact CG2-CG2 4.29Å; L377-I381 HydrophobicContact CD1-CD1 4.04Å; L377-I381 HydrophobicContact CD1-CG1 4.41Å; L377-I381 HydrophobicContact CG-CD1 4.07Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.46Å; I381-N385 VanDerWaalsContact O-CB 3.28Å; I381-N385 WeakPolarHBondContact O-CB 3.17Å; I381-N385 PolarHBondContact O-N 3.06Å |
| 382 | L | 89.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | -178.2 | -70.1 | 176.8 | 0 | 0 | 0 | 112.1 | W131 V378 F379 S386 | W131-L382 HydrophobicContact CZ2-CD2 4.35Å; V378-L382 HydrophobicContact CG1-CD1 3.85Å; V378-L382 HydrophobicContact CG1-CG 4.44Å; V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 WeakPolarHBondContact O-CG 3.35Å; V378-L382 PolarHBondContact O-N 2.94Å; F379-L382 PolarHBondContact O-N 3.36Å; L382-S386 VanDerWaalsContact O-CB 3.25Å; L382-S386 WeakPolarHBondContact O-CB 3.43Å; L382-S386 PolarHBondContact O-N 2.97Å; L382-S386 VanDerWaalsContact O-N 3.13Å; L382-S386 PolarHBondContact O-OG 3.35Å |
| 383 | L | 87.3 | Confident | 88.3 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.2 | -50.3 | 177.6 | -70.4 | 175.5 | 0 | 0 | 0 | 110 | L317 F379 N385 S386 F387 I392 | L317-L383 HydrophobicContact CD1-CD1 4.19Å; F379-L383 WeakPolarHBondContact O-CB 2.71Å; F379-L383 VanDerWaalsContact O-CG 3.24Å; F379-L383 WeakPolarHBondContact O-CG 3.45Å; F379-L383 PolarHBondContact O-N 2.9Å; L383-N385 PolarHBondContact O-N 3.47Å; L383-S386 PolarHBondContact O-N 3.24Å; L383-F387 CarbonylContact C-O 3.53Å; L383-F387 HydrophobicContact CD2-CD2 3.81Å; L383-F387 HydrophobicContact CD2-CE2 4.27Å; L383-F387 CarbonylContact O-C 3.42Å; L383-F387 WeakPolarHBondContact O-CA 3.37Å; L383-F387 PolarHBondContact O-N 2.74Å; L383-I392 HydrophobicContact CB-CD1 3.89Å; L383-I392 HydrophobicContact CD1-CD1 4.49Å |
| 384 | G | 82.5 | Confident | 88.1 | Confident | 11 Ų | 11 | 49 Ų | 49 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -33.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G380 F387 | G380-G384 PolarHBondContact O-N 3.28Å; G384-F387 WeakPolarHBondContact CA-O 3.41Å |
| 385 | N | 78.9 | Confident | 87.9 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80.3 | -26.3 | 176.1 | -166.7 | 76.8 | 0 | 0 | 0 | 113.9 | P124 I381 L383 | P124-N385 WeakPolarHBondContact CB-OD1 3.3Å; P124-N385 WeakPolarHBondContact CG-OD1 3.45Å; I381-N385 VanDerWaalsContact O-CB 3.28Å; I381-N385 WeakPolarHBondContact O-CB 3.17Å; I381-N385 PolarHBondContact O-N 3.06Å; L383-N385 PolarHBondContact O-N 3.47Å |
| 386 | S | 73.7 | Confident | 87.7 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 56% | 0.559 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -100.9 | -27.4 | -175.2 | -51.7 | 0 | 0 | 0 | 0 | 113.4 | L382 L383 | L382-S386 VanDerWaalsContact O-CB 3.25Å; L382-S386 WeakPolarHBondContact O-CB 3.43Å; L382-S386 PolarHBondContact O-N 2.97Å; L382-S386 VanDerWaalsContact O-N 3.13Å; L382-S386 PolarHBondContact O-OG 3.35Å; L383-S386 PolarHBondContact O-N 3.24Å |
| 387 | F | 70.1 | Confident | 87.6 | Confident | 145 Ų | 145 | 48.3 Ų | 48.3 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -140.4 | 126.8 | -175.9 | -60.2 | -79.1 | 0 | 0 | 0 | 107 | L383 G384 | L383-F387 CarbonylContact C-O 3.53Å; L383-F387 HydrophobicContact CD2-CD2 3.81Å; L383-F387 HydrophobicContact CD2-CE2 4.27Å; L383-F387 CarbonylContact O-C 3.42Å; L383-F387 WeakPolarHBondContact O-CA 3.37Å; L383-F387 PolarHBondContact O-N 2.74Å; G384-F387 WeakPolarHBondContact CA-O 3.41Å |
| 388 | A | 76.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 55% | 0.554 | 30% | 0.297 | S | S | * | . | trans | -42.6 | 133.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N390 P391 | A388-N390 PolarHBondContact O-N 3.05Å; A388-N390 VanDerWaalsContact O-N 3.14Å; A388-P391 WeakPolarHBondContact O-CD 3.49Å | ||
| 389 | P | 82.1 | Confident | 87.3 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -71.5 | -9.8 | -169.1 | 28.1 | -35.3 | 0 | 0 | 0 | 113.8 | A321 V325 P391 I392 F393 | A321-P389 HydrophobicContact CB-CB 4.1Å; V325-P389 HydrophobicContact CG2-CB 4.31Å; V325-P389 HydrophobicContact CG2-CG 3.57Å; P389-P391 VanDerWaalsContact C-CD 3.49Å; P389-I392 WeakPolarHBondContact O-CB 3.2Å; P389-I392 PolarHBondContact O-N 3.22Å; P389-F393 HydrophobicContact CB-CD2 4.28Å; P389-F393 HydrophobicContact CB-CE2 3.6Å; P389-F393 HydrophobicContact CB-CZ 3.88Å; P389-F393 HydrophobicContact CG-CE2 3.79Å; P389-F393 HydrophobicContact CG-CZ 4.33Å; P389-F393 PolarHBondContact O-N 3.19Å |
| 390 | N | 86.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 45.1 Ų | 45.1 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.7 | -42.7 | -174 | -51.7 | 65.6 | 0 | 0 | 0 | 114.8 | E186 A187 A388 I392 F393 A394 | E186-N390 PolarHBondContact O-ND2 3.35Å; A187-N390 WeakPolarHBondContact CB-O 3.39Å; A388-N390 PolarHBondContact O-N 3.05Å; A388-N390 VanDerWaalsContact O-N 3.14Å; N390-I392 VanDerWaalsContact C-N 3.3Å; N390-I392 PolarHBondContact O-N 3.04Å; N390-F393 PolarHBondContact O-N 3.02Å; N390-A394 PolarHBondContact O-N 2.7Å |
| 391 | P | 88.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65 | -32.7 | 177.1 | -21.3 | 35.2 | 0 | 0 | 0 | 113.3 | A388 P389 A394 I395 | A388-P391 WeakPolarHBondContact O-CD 3.49Å; P389-P391 VanDerWaalsContact C-CD 3.49Å; P391-A394 PolarHBondContact O-N 3.13Å; P391-I395 WeakPolarHBondContact O-CG1 3.41Å; P391-I395 PolarHBondContact O-N 2.86Å |
| 392 | I | 90.9 | Very high | 87.6 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -48 | 175.6 | -62.3 | 172.1 | 0 | 0 | 0 | 108.7 | L317 V318 A321 L383 P389 N390 A394 I395 A396 | L317-I392 HydrophobicContact CD1-CD1 4.38Å; L317-I392 HydrophobicContact CD2-CG1 4.4Å; L317-I392 HydrophobicContact CD2-CG2 3.91Å; L317-I392 HydrophobicContact CG-CD1 4.36Å; L317-I392 HydrophobicContact CG-CG1 4.48Å; L317-I392 HydrophobicContact CG-CG2 3.8Å; V318-I392 HydrophobicContact CG2-CG2 3.91Å; A321-I392 HydrophobicContact CB-CB 4.18Å; A321-I392 HydrophobicContact CB-CD1 3.9Å; A321-I392 HydrophobicContact CB-CG2 3.82Å; L383-I392 HydrophobicContact CB-CD1 3.89Å; L383-I392 HydrophobicContact CD1-CD1 4.49Å; P389-I392 WeakPolarHBondContact O-CB 3.2Å; P389-I392 PolarHBondContact O-N 3.22Å; N390-I392 VanDerWaalsContact C-N 3.3Å; N390-I392 PolarHBondContact O-N 3.04Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 2.99Å; I392-I395 PolarHBondContact O-N 3.18Å; I392-A396 WeakPolarHBondContact O-CB 3.37Å; I392-A396 PolarHBondContact O-N 3.09Å |
| 393 | F | 91.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -34 | 177.9 | -58.4 | -41 | 0 | 0 | 0 | 113.5 | L183 E186 A187 A321 S322 V325 P389 N390 G397 | L183-F393 HydrophobicContact CB-CB 4.4Å; L183-F393 HydrophobicContact CD2-CD1 3.75Å; L183-F393 HydrophobicContact CD2-CE1 4.36Å; L183-F393 HydrophobicContact CD2-CG 4.4Å; L183-F393 WeakPolarHBondContact O-CB 3.3Å; E186-F393 HydrophobicContact CB-CD2 3.94Å; E186-F393 HydrophobicContact CB-CE2 4.38Å; E186-F393 HydrophobicContact CG-CD2 3.42Å; E186-F393 VanDerWaalsContact CG-CD2 3.42Å; E186-F393 HydrophobicContact CG-CE2 3.43Å; E186-F393 VanDerWaalsContact CG-CE2 3.43Å; E186-F393 HydrophobicContact CG-CG 4.38Å; E186-F393 HydrophobicContact CG-CZ 4.39Å; A187-F393 HydrophobicContact CB-CB 4.01Å; A321-F393 HydrophobicContact CB-CE1 3.8Å; A321-F393 HydrophobicContact CB-CZ 4.07Å; S322-F393 WeakPolarHBondContact OG-CE1 3.24Å; V325-F393 HydrophobicContact CG2-CE2 3.64Å; V325-F393 HydrophobicContact CG2-CZ 3.65Å; P389-F393 HydrophobicContact CB-CD2 4.28Å; P389-F393 HydrophobicContact CB-CE2 3.6Å; P389-F393 HydrophobicContact CB-CZ 3.88Å; P389-F393 HydrophobicContact CG-CE2 3.79Å; P389-F393 HydrophobicContact CG-CZ 4.33Å; P389-F393 PolarHBondContact O-N 3.19Å; N390-F393 PolarHBondContact O-N 3.02Å; F393-G397 PolarHBondContact O-N 3.05Å |
| 394 | A | 92.4 | Very high | 88 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 44% | 0.438 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A187 N390 P391 I392 G398 | A187-A394 HydrophobicContact CB-CB 3.87Å; N390-A394 PolarHBondContact O-N 2.7Å; P391-A394 PolarHBondContact O-N 3.13Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 2.99Å; A394-G398 PolarHBondContact O-N 2.73Å |
| 395 | I | 91.7 | Very high | 88.5 | Confident | 113 Ų | 113 | 50.9 Ų | 50.9 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 178.8 | -67.3 | 169.1 | 0 | 0 | 0 | 109.8 | P391 I392 G398 M399 | P391-I395 WeakPolarHBondContact O-CG1 3.41Å; P391-I395 PolarHBondContact O-N 2.86Å; I392-I395 PolarHBondContact O-N 3.18Å; I395-G398 PolarHBondContact O-N 3.43Å; I395-M399 PolarHBondContact O-N 3.45Å |
| 396 | A | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L183 V318 I392 G398 M399 F400 | L183-A396 HydrophobicContact CD1-CB 3.98Å; V318-A396 HydrophobicContact CB-CB 4.23Å; V318-A396 HydrophobicContact CG1-CB 4.11Å; V318-A396 HydrophobicContact CG2-CB 3.1Å; I392-A396 WeakPolarHBondContact O-CB 3.37Å; I392-A396 PolarHBondContact O-N 3.09Å; A396-G398 VanDerWaalsContact C-N 3.25Å; A396-G398 PolarHBondContact O-N 3.05Å; A396-M399 PolarHBondContact O-N 2.61Å; A396-M399 VanDerWaalsContact O-N 3.13Å; A396-F400 WeakPolarHBondContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CD1 3.25Å; A396-F400 PolarHBondContact O-N 3.02Å |
| 397 | G | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F393 L401 | F393-G397 PolarHBondContact O-N 3.05Å; G397-L401 WeakPolarHBondContact O-CG 3.29Å; G397-L401 PolarHBondContact O-N 2.8Å; G397-L401 VanDerWaalsContact O-N 3.16Å |
| 398 | G | 94.4 | Very high | 90.9 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A394 I395 A396 Y402 | A394-G398 PolarHBondContact O-N 2.73Å; I395-G398 PolarHBondContact O-N 3.43Å; A396-G398 VanDerWaalsContact C-N 3.25Å; A396-G398 PolarHBondContact O-N 3.05Å; G398-Y402 PolarHBondContact O-N 3.21Å; G398-Y402 VanDerWaalsContact O-N 3.07Å |
| 399 | M | 92.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 176 | 171 | -179.9 | -92.8 | 0 | 0 | 112.1 | I314 I395 A396 L401 Y402 I403 | I314-M399 HydrophobicContact CB-CE 3.96Å; I314-M399 HydrophobicContact CB-SD 3.67Å; I314-M399 HydrophobicContact CD1-CE 3.22Å; I314-M399 HydrophobicContact CD1-SD 4.06Å; I314-M399 HydrophobicContact CG1-CE 4.1Å; I314-M399 HydrophobicContact CG1-SD 4.43Å; I314-M399 HydrophobicContact CG2-CE 4.09Å; I314-M399 HydrophobicContact CG2-SD 3.36Å; I314-M399 WeakPolarHBondContact CG2-SD 3.36Å; I395-M399 PolarHBondContact O-N 3.45Å; A396-M399 PolarHBondContact O-N 2.61Å; A396-M399 VanDerWaalsContact O-N 3.13Å; M399-L401 VanDerWaalsContact C-N 3.28Å; M399-L401 PolarHBondContact O-N 3.15Å; M399-Y402 CarbonylContact O-C 3.5Å; M399-Y402 WeakPolarHBondContact O-CA 3.49Å; M399-Y402 WeakPolarHBondContact O-CB 3.45Å; M399-Y402 PolarHBondContact O-N 2.85Å; M399-I403 HydrophobicContact CG-CD1 3.61Å; M399-I403 HydrophobicContact CG-CG1 4.2Å; M399-I403 WeakPolarHBondContact O-CG1 3.37Å; M399-I403 PolarHBondContact O-N 3.1Å; M399-I403 HydrophobicContact SD-CD1 4.19Å |
| 400 | F | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | -178 | -78.8 | 18.5 | 0 | 0 | 0 | 111.4 | L175 N178 A179 L183 D315 V318 I337 A396 A404 | L175-F400 HydrophobicContact CD2-CD2 3.84Å; L175-F400 HydrophobicContact CD2-CE2 4.08Å; L175-F400 HydrophobicContact CD2-CG 4.07Å; N178-F400 HydrophobicContact CB-CD2 4.47Å; N178-F400 WeakPolarHBondContact ND2-CE2 3.27Å; A179-F400 HydrophobicContact CB-CB 4.01Å; L183-F400 HydrophobicContact CD1-CD2 3.56Å; L183-F400 HydrophobicContact CD1-CE2 3.79Å; L183-F400 HydrophobicContact CD1-CG 4.14Å; D315-F400 WeakPolarHBondContact OD1-CE1 3.41Å; V318-F400 HydrophobicContact CG1-CZ 4.25Å; I337-F400 HydrophobicContact CD1-CZ 3.9Å; I337-F400 HydrophobicContact CG1-CE2 4.15Å; I337-F400 HydrophobicContact CG1-CZ 3.59Å; A396-F400 WeakPolarHBondContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CD1 3.25Å; A396-F400 PolarHBondContact O-N 3.02Å; F400-A404 WeakPolarHBondContact O-CB 3.37Å; F400-A404 PolarHBondContact O-N 2.87Å |
| 401 | L | 94.9 | Very high | 92.1 | Very high | 43 Ų | 43 | 46 Ų | 46 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 171.2 | -78.7 | 175.1 | 0 | 0 | 0 | 112.2 | F176 A179 V180 I184 G397 M399 L405 | F176-L401 HydrophobicContact CD2-CD2 3.69Å; F176-L401 HydrophobicContact CE2-CD2 3.89Å; F176-L401 HydrophobicContact CG-CD2 4.18Å; A179-L401 HydrophobicContact CB-CD2 4.19Å; A179-L401 HydrophobicContact CB-CG 3.8Å; V180-L401 HydrophobicContact CG2-CD2 4.11Å; I184-L401 HydrophobicContact CD1-CD1 3.77Å; G397-L401 WeakPolarHBondContact O-CG 3.29Å; G397-L401 PolarHBondContact O-N 2.8Å; G397-L401 VanDerWaalsContact O-N 3.16Å; M399-L401 VanDerWaalsContact C-N 3.28Å; M399-L401 PolarHBondContact O-N 3.15Å; L401-L405 HydrophobicContact CD2-CD1 4.48Å; L401-L405 VanDerWaalsContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 3.24Å |
| 402 | Y | 94.1 | Very high | 92.1 | Very high | 164 Ų | 164 | 42.1 Ų | 42.1 | 64% | 0.643 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.7 | -49.7 | 177.3 | -178.7 | -89.8 | 0 | 0 | 0 | 111.4 | G398 M399 A404 L405 A406 | G398-Y402 PolarHBondContact O-N 3.21Å; G398-Y402 VanDerWaalsContact O-N 3.07Å; M399-Y402 CarbonylContact O-C 3.5Å; M399-Y402 WeakPolarHBondContact O-CA 3.49Å; M399-Y402 WeakPolarHBondContact O-CB 3.45Å; M399-Y402 PolarHBondContact O-N 2.85Å; Y402-A404 PolarHBondContact O-N 2.68Å; Y402-L405 PolarHBondContact O-N 2.93Å; Y402-A406 HydrophobicContact CD1-CB 4.44Å; Y402-A406 HydrophobicContact CD2-CB 3.92Å; Y402-A406 HydrophobicContact CE1-CB 4.31Å; Y402-A406 HydrophobicContact CE2-CB 3.78Å; Y402-A406 HydrophobicContact CG-CB 4.26Å; Y402-A406 WeakPolarHBondContact O-CA 3.43Å; Y402-A406 WeakPolarHBondContact O-CB 2.92Å; Y402-A406 PolarHBondContact O-N 3.36Å |
| 403 | I | 91.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -60.3 | -48.1 | 178.9 | -64.1 | 169.7 | 0 | 0 | 0 | 110.3 | L175 E340 M399 L405 D407 M408 | L175-I403 HydrophobicContact CD1-CB 4.5Å; L175-I403 HydrophobicContact CD1-CG2 3.99Å; E340-I403 WeakPolarHBondContact OE2-CG2 3.27Å; M399-I403 HydrophobicContact CG-CD1 3.61Å; M399-I403 HydrophobicContact CG-CG1 4.2Å; M399-I403 WeakPolarHBondContact O-CG1 3.37Å; M399-I403 PolarHBondContact O-N 3.1Å; M399-I403 HydrophobicContact SD-CD1 4.19Å; I403-L405 PolarHBondContact O-N 2.92Å; I403-D407 WeakPolarHBondContact O-CB 3.08Å; I403-D407 PolarHBondContact O-N 3.41Å; I403-M408 HydrophobicContact CG2-CG 4.21Å; I403-M408 PolarHBondContact O-N 3.2Å |
| 404 | A | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -60.7 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I172 L175 F176 F400 Y402 F409 | I172-A404 HydrophobicContact CG2-CB 4.41Å; L175-A404 HydrophobicContact CB-CB 3.95Å; L175-A404 HydrophobicContact CD1-CB 4.28Å; F176-A404 HydrophobicContact CB-CB 4.27Å; F400-A404 WeakPolarHBondContact O-CB 3.37Å; F400-A404 PolarHBondContact O-N 2.87Å; Y402-A404 PolarHBondContact O-N 2.68Å; A404-F409 VanDerWaalsContact O-CB 3.25Å; A404-F409 WeakPolarHBondContact O-CB 3.23Å; A404-F409 PolarHBondContact O-N 2.78Å; A404-F409 VanDerWaalsContact O-N 3.15Å |
| 405 | L | 93.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -95.3 | -35.9 | -169.6 | -63.2 | 177.4 | 0 | 0 | 0 | 114.5 | F176 F208 L401 Y402 I403 P410 | F176-L405 HydrophobicContact CD2-CD1 4.2Å; F176-L405 HydrophobicContact CD2-CD2 3.83Å; F176-L405 HydrophobicContact CD2-CG 4.1Å; F176-L405 HydrophobicContact CE2-CD1 4.04Å; F176-L405 HydrophobicContact CE2-CD2 4.05Å; F176-L405 HydrophobicContact CE2-CG 4.37Å; F208-L405 HydrophobicContact CD2-CD2 4.06Å; F208-L405 HydrophobicContact CE2-CD2 3.49Å; F208-L405 VanDerWaalsContact CE2-CD2 3.49Å; F208-L405 HydrophobicContact CZ-CD2 3.91Å; L401-L405 HydrophobicContact CD2-CD1 4.48Å; L401-L405 VanDerWaalsContact O-CB 3.3Å; L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 3.24Å; Y402-L405 PolarHBondContact O-N 2.93Å; I403-L405 PolarHBondContact O-N 2.92Å; L405-P410 WeakPolarHBondContact O-CD 3.41Å |
| 406 | A | 91.7 | Very high | 90.9 | Very high | 49 Ų | 49 | 38 Ų | 38 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -95.3 | -23.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y402 P410 | Y402-A406 HydrophobicContact CD1-CB 4.44Å; Y402-A406 HydrophobicContact CD2-CB 3.92Å; Y402-A406 HydrophobicContact CE1-CB 4.31Å; Y402-A406 HydrophobicContact CE2-CB 3.78Å; Y402-A406 HydrophobicContact CG-CB 4.26Å; Y402-A406 WeakPolarHBondContact O-CA 3.43Å; Y402-A406 WeakPolarHBondContact O-CB 2.92Å; Y402-A406 PolarHBondContact O-N 3.36Å; A406-P410 WeakPolarHBondContact O-CG 3.08Å |
| 407 | D | 89.5 | Confident | 90.4 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -112.3 | -65.7 | -176.1 | -169.6 | 35.2 | 0 | 0 | 0 | 112.2 | H344 I403 F409 P410 E411 | H344-D407 IonicContact CD2-OD2 3.16Å; I403-D407 WeakPolarHBondContact O-CB 3.08Å; I403-D407 PolarHBondContact O-N 3.41Å; D407-F409 PolarHBondContact O-N 2.84Å; D407-P410 WeakPolarHBondContact O-CD 3.35Å; D407-E411 PolarHBondContact O-N 3.1Å |
| 408 | M | 90.7 | Very high | 89.8 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -68 | -39 | -175.5 | -69.1 | -63.5 | 115 | 0 | 0 | 113.4 | I168 I172 H344 I403 E411 M412 | I168-M408 HydrophobicContact CG2-CB 4.22Å; I168-M408 WeakPolarHBondContact CG2-O 3.39Å; I168-M408 HydrophobicContact CG2-SD 4.41Å; I172-M408 HydrophobicContact CD1-CB 4.18Å; I172-M408 HydrophobicContact CG1-CB 3.6Å; H344-M408 HydrophobicContact CB-CE 4.36Å; I403-M408 HydrophobicContact CG2-CG 4.21Å; I403-M408 PolarHBondContact O-N 3.2Å; M408-E411 PolarHBondContact O-N 3.18Å; M408-M412 PolarHBondContact O-N 3.15Å |
| 409 | F | 91.9 | Very high | 89.2 | Confident | 35 Ų | 35 | 52 Ų | 52 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -46.4 | -177.5 | -178.7 | -81.7 | 0 | 0 | 0 | 113.6 | I172 F208 F212 A404 D407 E411 M412 D413 | I172-F409 HydrophobicContact CD1-CB 3.98Å; I172-F409 HydrophobicContact CD1-CD2 4.32Å; F208-F409 HydrophobicContact CE2-CD2 4.43Å; F208-F409 HydrophobicContact CE2-CE2 4.16Å; F208-F409 AromaticContact CZ-CD2 3.96Å; F208-F409 HydrophobicContact CZ-CD2 3.96Å; F208-F409 AromaticContact CZ-CE2 3.81Å; F208-F409 HydrophobicContact CZ-CE2 3.81Å; F212-F409 AromaticContact CD2-CE2 3.48Å; F212-F409 HydrophobicContact CD2-CE2 3.48Å; F212-F409 VanDerWaalsContact CD2-CE2 3.48Å; F212-F409 AromaticContact CD2-CZ 3.6Å; F212-F409 HydrophobicContact CD2-CZ 3.6Å; F212-F409 AromaticContact CE2-CE2 3.87Å; F212-F409 HydrophobicContact CE2-CE2 3.87Å; F212-F409 HydrophobicContact CE2-CZ 4.15Å; F212-F409 HydrophobicContact CG-CE2 4.34Å; A404-F409 VanDerWaalsContact O-CB 3.25Å; A404-F409 WeakPolarHBondContact O-CB 3.23Å; A404-F409 PolarHBondContact O-N 2.78Å; A404-F409 VanDerWaalsContact O-N 3.15Å; D407-F409 PolarHBondContact O-N 2.84Å; F409-E411 VanDerWaalsContact C-N 3.29Å; F409-E411 PolarHBondContact O-N 3.34Å; F409-M412 HydrophobicContact CD2-CE 4.08Å; F409-M412 HydrophobicContact CE2-CE 4.29Å; F409-M412 WeakPolarHBondContact O-CB 3.3Å; F409-M412 PolarHBondContact O-N 3.49Å; F409-D413 PolarHBondContact O-N 3.25Å; F409-D413 VanDerWaalsContact O-N 3.15Å |
| 410 | P | 90.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 171 | -29 | 37.7 | 0 | 0 | 0 | 113.4 | L405 A406 D407 D413 S414 | L405-P410 WeakPolarHBondContact O-CD 3.41Å; A406-P410 WeakPolarHBondContact O-CG 3.08Å; D407-P410 WeakPolarHBondContact O-CD 3.35Å; P410-D413 PolarHBondContact O-N 3.01Å; P410-S414 PolarHBondContact O-N 3.35Å |
| 411 | E | 87.7 | Confident | 87.7 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.1 | -175.6 | 60.4 | -169.7 | 0 | 0 | 111.8 | I168 D407 M408 F409 D413 S414 I415 | I168-E411 HydrophobicContact CD1-CG 4.26Å; D407-E411 PolarHBondContact O-N 3.1Å; M408-E411 PolarHBondContact O-N 3.18Å; F409-E411 VanDerWaalsContact C-N 3.29Å; F409-E411 PolarHBondContact O-N 3.34Å; E411-D413 PolarHBondContact O-N 2.88Å; E411-S414 PolarHBondContact O-N 3.06Å; E411-S414 PolarHBondContact O-OG 3.32Å; E411-S414 PolarHBondContact OE2-OG 3.15Å; E411-I415 HydrophobicContact CG-CD1 4.47Å; E411-I415 WeakPolarHBondContact O-CG1 3.5Å; E411-I415 PolarHBondContact O-N 3.38Å |
| 412 | M | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 172.9 | -165.1 | -178.2 | 57.3 | 0 | 0 | 112.4 | T165 I168 G169 I172 F212 M408 F409 Q432 | T165-M412 HydrophobicContact CG2-CG 4.27Å; I168-M412 HydrophobicContact CG2-CB 3.67Å; I168-M412 HydrophobicContact CG2-CG 4.15Å; G169-M412 VanDerWaalsContact CA-SD 3.56Å; I172-M412 HydrophobicContact CD1-CB 4.07Å; I172-M412 HydrophobicContact CD1-CE 3.79Å; I172-M412 HydrophobicContact CD1-CG 4.49Å; I172-M412 HydrophobicContact CD1-SD 3.77Å; F212-M412 HydrophobicContact CE2-CE 4.19Å; F212-M412 HydrophobicContact CZ-CE 4.45Å; M408-M412 PolarHBondContact O-N 3.15Å; F409-M412 HydrophobicContact CD2-CE 4.08Å; F409-M412 HydrophobicContact CE2-CE 4.29Å; F409-M412 WeakPolarHBondContact O-CB 3.3Å; F409-M412 PolarHBondContact O-N 3.49Å; M412-Q432 HydrophobicContact CE-CB 4.27Å; M412-Q432 HydrophobicContact CE-CG 4.21Å; M412-Q432 HydrophobicContact CG-CG 3.77Å; M412-Q432 PolarHBondContact O-NE2 3.31Å; M412-Q432 HydrophobicContact SD-CB 3.9Å; M412-Q432 HydrophobicContact SD-CG 3.65Å |
| 413 | D | 87.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -75.2 | -33.7 | 178 | -168.9 | 48.1 | 0 | 0 | 0 | 112.7 | K216 F409 P410 E411 A416 K417 | K216-D413 IonicContact NZ-OD1 3.09Å; K216-D413 PolarHBondContact NZ-OD1 2.99Å; K216-D413 IonicContact NZ-OD2 3.01Å; F409-D413 PolarHBondContact O-N 3.25Å; F409-D413 VanDerWaalsContact O-N 3.15Å; P410-D413 PolarHBondContact O-N 3.01Å; E411-D413 PolarHBondContact O-N 2.88Å; D413-A416 PolarHBondContact O-N 2.74Å; D413-K417 WeakPolarHBondContact O-CB 3.17Å; D413-K417 VanDerWaalsContact O-CG 3.32Å; D413-K417 WeakPolarHBondContact O-CG 3.34Å; D413-K417 PolarHBondContact O-N 3.43Å; D413-K417 WeakPolarHBondContact OD2-CE 3.4Å; D413-K417 IonicContact OD2-NZ 3.97Å; D413-K417 PolarHBondContact OD2-NZ 2.81Å |
| 414 | S | 86.8 | Confident | 86 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 178.6 | 81 | 0 | 0 | 0 | 0 | 110.8 | P410 E411 A416 K417 E418 | P410-S414 PolarHBondContact O-N 3.35Å; E411-S414 PolarHBondContact O-N 3.06Å; E411-S414 PolarHBondContact O-OG 3.32Å; E411-S414 PolarHBondContact OE2-OG 3.15Å; S414-A416 VanDerWaalsContact C-N 3.32Å; S414-A416 PolarHBondContact O-N 2.82Å; S414-K417 PolarHBondContact O-N 2.85Å; S414-E418 PolarHBondContact O-N 2.82Å |
| 415 | I | 84.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.8 | -62.4 | 167.4 | 0 | 0 | 0 | 111.3 | P161 L164 I168 E411 F428 | P161-I415 HydrophobicContact CB-CG2 4.45Å; L164-I415 HydrophobicContact CD2-CD1 4.19Å; I168-I415 HydrophobicContact CD1-CD1 3.51Å; E411-I415 HydrophobicContact CG-CD1 4.47Å; E411-I415 WeakPolarHBondContact O-CG1 3.5Å; E411-I415 PolarHBondContact O-N 3.38Å; I415-F428 HydrophobicContact CG2-CD1 4.44Å; I415-F428 HydrophobicContact CG2-CE1 3.89Å |
| 416 | A | 83.5 | Confident | 85.4 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.6 | -32.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D413 S414 E418 Q419 F428 Q432 | D413-A416 PolarHBondContact O-N 2.74Å; S414-A416 VanDerWaalsContact C-N 3.32Å; S414-A416 PolarHBondContact O-N 2.82Å; A416-E418 VanDerWaalsContact C-N 3.34Å; A416-Q419 WeakPolarHBondContact O-CB 3.24Å; A416-Q419 PolarHBondContact O-N 3.43Å; A416-F428 HydrophobicContact CB-CB 4.26Å; A416-Q432 VanDerWaalsContact CB-NE2 3.29Å |
| 417 | K | 81.9 | Confident | 85.4 | Confident | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.6 | -32 | 176.9 | -81.2 | 167.1 | 169.3 | 160.9 | 0 | 113 | D413 S414 Q419 | D413-K417 WeakPolarHBondContact O-CB 3.17Å; D413-K417 VanDerWaalsContact O-CG 3.32Å; D413-K417 WeakPolarHBondContact O-CG 3.34Å; D413-K417 PolarHBondContact O-N 3.43Å; D413-K417 WeakPolarHBondContact OD2-CE 3.4Å; D413-K417 IonicContact OD2-NZ 3.97Å; D413-K417 PolarHBondContact OD2-NZ 2.81Å; S414-K417 PolarHBondContact O-N 2.85Å; K417-Q419 PolarHBondContact O-N 3.24Å; K417-Q419 VanDerWaalsContact O-N 3.1Å |
| 418 | E | 81.5 | Confident | 85.5 | Confident | 157 Ų | 157 | 68 Ų | 68 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.5 | 177.4 | -157.9 | 176.7 | -175.1 | 0 | 0 | 112.5 | S414 A416 Q420 | S414-E418 PolarHBondContact O-N 2.82Å; A416-E418 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 2.73Å |
| 419 | Q | 81.6 | Confident | 85.6 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | trans | -78.6 | 109.4 | -179.4 | -57 | -55.5 | -50.7 | 0 | 0 | 112.6 | A416 K417 S424 K425 F428 | A416-Q419 WeakPolarHBondContact O-CB 3.24Å; A416-Q419 PolarHBondContact O-N 3.43Å; K417-Q419 PolarHBondContact O-N 3.24Å; K417-Q419 VanDerWaalsContact O-N 3.1Å; Q419-S424 PolarHBondContact OE1-OG 3.38Å; Q419-K425 HydrophobicContact CB-CG 4.34Å; Q419-K425 WeakPolarHBondContact O-CE 3.4Å; Q419-F428 HydrophobicContact CG-CD2 3.74Å; Q419-F428 HydrophobicContact CG-CE1 4.43Å; Q419-F428 HydrophobicContact CG-CE2 3.62Å; Q419-F428 HydrophobicContact CG-CG 4.18Å; Q419-F428 HydrophobicContact CG-CZ 3.99Å | ||
| 420 | Q | 73.2 | Confident | 85.7 | Confident | 185 Ų | 185 | 71.8 Ų | 71.8 | 86% | 0.864 | 37% | 0.372 | S | S | * | . | trans | -75.3 | -31.2 | -177 | -154.4 | 177.4 | 9.5 | 0 | 0 | 113.9 | E418 | E418-Q420 PolarHBondContact O-N 2.73Š| ||
| 421 | K | 81.3 | Confident | 85.9 | Confident | 164 Ų | 164 | 70.3 Ų | 70.3 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -85.4 | 130.8 | -176.8 | -69.3 | -179.1 | -178.8 | 176.3 | 0 | 112 | S423 S424 K425 | K421-S423 VanDerWaalsContact C-N 3.3Å; K421-S423 PolarHBondContact O-N 3.41Å; K421-S424 WeakPolarHBondContact O-CA 3.17Å; K421-S424 WeakPolarHBondContact O-CB 3.19Å; K421-S424 PolarHBondContact O-N 3.48Å; K421-K425 PolarHBondContact O-N 3.35Å |
| 422 | T | 78.9 | Confident | 86.3 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.8 | -41.4 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | S424 K425 I426 | T422-S424 VanDerWaalsContact C-N 3.28Å; T422-S424 PolarHBondContact O-N 3.05Å; T422-K425 PolarHBondContact O-N 3.37Å; T422-I426 HydrophobicContact CG2-CD1 4.49Å; T422-I426 PolarHBondContact O-N 2.97Å |
| 423 | S | 82.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -34.5 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | K421 V427 | K421-S423 VanDerWaalsContact C-N 3.3Å; K421-S423 PolarHBondContact O-N 3.41Å; S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 3.15Å |
| 424 | S | 84.8 | Confident | 87 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 175 | -165 | 0 | 0 | 0 | 0 | 110.5 | Q419 K421 T422 I426 V427 F428 | Q419-S424 PolarHBondContact OE1-OG 3.38Å; K421-S424 WeakPolarHBondContact O-CA 3.17Å; K421-S424 WeakPolarHBondContact O-CB 3.19Å; K421-S424 PolarHBondContact O-N 3.48Å; T422-S424 VanDerWaalsContact C-N 3.28Å; T422-S424 PolarHBondContact O-N 3.05Å; S424-I426 VanDerWaalsContact C-N 3.28Å; S424-I426 PolarHBondContact O-N 2.86Å; S424-V427 PolarHBondContact O-N 3.02Å; S424-F428 VanDerWaalsContact O-CD2 3.32Å; S424-F428 WeakPolarHBondContact O-CD2 3.4Å; S424-F428 PolarHBondContact O-N 3.41Å; S424-F428 WeakPolarHBondContact OG-CE2 3.28Å |
| 425 | K | 86.1 | Confident | 87.5 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55 | -41.4 | 177.4 | -64.5 | -178.6 | -178.9 | -177.1 | 0 | 112.9 | M220 Q419 K421 T422 F429 | M220-K425 HydrophobicContact CE-CB 4.39Å; Q419-K425 HydrophobicContact CB-CG 4.34Å; Q419-K425 WeakPolarHBondContact O-CE 3.4Å; K421-K425 PolarHBondContact O-N 3.35Å; T422-K425 PolarHBondContact O-N 3.37Å; K425-F429 WeakPolarHBondContact O-CB 3.35Å; K425-F429 PolarHBondContact O-N 3.42Å |
| 426 | I | 89.2 | Confident | 88 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.2 | -64.7 | 166.7 | 0 | 0 | 0 | 110.9 | M220 T422 S424 F429 L430 | M220-I426 HydrophobicContact CE-CG1 4.37Å; M220-I426 HydrophobicContact SD-CG1 3.57Å; M220-I426 VanDerWaalsContact SD-CG1 3.57Å; T422-I426 HydrophobicContact CG2-CD1 4.49Å; T422-I426 PolarHBondContact O-N 2.97Å; S424-I426 VanDerWaalsContact C-N 3.28Å; S424-I426 PolarHBondContact O-N 2.86Å; I426-F429 PolarHBondContact O-N 3.41Å; I426-L430 HydrophobicContact CG2-CD1 4.29Å; I426-L430 WeakPolarHBondContact O-CG 3.33Å; I426-L430 PolarHBondContact O-N 3.31Å |
| 427 | V | 91.6 | Very high | 88.7 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | S423 S424 F429 L430 I431 | S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 3.15Å; S424-V427 PolarHBondContact O-N 3.02Å; V427-F429 VanDerWaalsContact C-N 3.34Å; V427-F429 PolarHBondContact O-N 3.3Å; V427-L430 PolarHBondContact O-N 3.25Å; V427-I431 HydrophobicContact CG1-CD1 3.73Å; V427-I431 HydrophobicContact CG1-CG1 4.44Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.2Å; V427-I431 PolarHBondContact O-N 2.97Å |
| 428 | F | 91.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.7 | -83.7 | -100.1 | 0 | 0 | 0 | 111.5 | P161 Q162 T165 I415 A416 Q419 S424 L430 I431 Q432 | P161-F428 HydrophobicContact CB-CE1 4.23Å; P161-F428 HydrophobicContact CB-CZ 4.06Å; Q162-F428 HydrophobicContact CG-CE2 4.02Å; Q162-F428 HydrophobicContact CG-CZ 3.89Å; T165-F428 HydrophobicContact CG2-CD1 4.06Å; T165-F428 WeakPolarHBondContact OG1-CD1 3.33Å; T165-F428 WeakPolarHBondContact OG1-CE1 3.47Å; I415-F428 HydrophobicContact CG2-CD1 4.44Å; I415-F428 HydrophobicContact CG2-CE1 3.89Å; A416-F428 HydrophobicContact CB-CB 4.26Å; Q419-F428 HydrophobicContact CG-CD2 3.74Å; Q419-F428 HydrophobicContact CG-CE1 4.43Å; Q419-F428 HydrophobicContact CG-CE2 3.62Å; Q419-F428 HydrophobicContact CG-CG 4.18Å; Q419-F428 HydrophobicContact CG-CZ 3.99Å; S424-F428 VanDerWaalsContact O-CD2 3.32Å; S424-F428 WeakPolarHBondContact O-CD2 3.4Å; S424-F428 PolarHBondContact O-N 3.41Å; S424-F428 WeakPolarHBondContact OG-CE2 3.28Å; F428-L430 PolarHBondContact O-N 3.35Å; F428-I431 PolarHBondContact O-N 3.08Å; F428-Q432 VanDerWaalsContact O-CG 3.25Å; F428-Q432 WeakPolarHBondContact O-CG 3.36Å; F428-Q432 PolarHBondContact O-N 3.35Å |
| 429 | F | 92.3 | Very high | 90 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 174 | 172.4 | -105 | 0 | 0 | 0 | 112.6 | F213 K216 I217 M220 K425 I426 V427 I431 Q432 N433 | F213-F429 HydrophobicContact CD2-CE2 4.48Å; F213-F429 AromaticContact CD2-CZ 3.78Å; F213-F429 HydrophobicContact CD2-CZ 3.78Å; F213-F429 HydrophobicContact CE2-CE1 4.19Å; F213-F429 AromaticContact CE2-CZ 3.62Å; F213-F429 HydrophobicContact CE2-CZ 3.62Å; F213-F429 HydrophobicContact CZ-CZ 4.34Å; K216-F429 HydrophobicContact CB-CD2 3.73Å; K216-F429 HydrophobicContact CB-CE2 3.46Å; K216-F429 VanDerWaalsContact CB-CE2 3.46Å; K216-F429 HydrophobicContact CG-CD2 4.11Å; K216-F429 HydrophobicContact CG-CE2 4.03Å; I217-F429 HydrophobicContact CD1-CE1 4.08Å; I217-F429 HydrophobicContact CD1-CZ 3.92Å; I217-F429 HydrophobicContact CG1-CZ 4.21Å; M220-F429 HydrophobicContact CE-CB 3.82Å; M220-F429 HydrophobicContact CE-CG 4.13Å; K425-F429 WeakPolarHBondContact O-CB 3.35Å; K425-F429 PolarHBondContact O-N 3.42Å; I426-F429 PolarHBondContact O-N 3.41Å; V427-F429 VanDerWaalsContact C-N 3.34Å; V427-F429 PolarHBondContact O-N 3.3Å; F429-I431 VanDerWaalsContact C-N 3.33Å; F429-I431 PolarHBondContact O-N 3.18Å; F429-Q432 PolarHBondContact O-N 2.82Å; F429-N433 WeakPolarHBondContact CD2-ND2 3.38Å; F429-N433 WeakPolarHBondContact CE2-ND2 3.32Å; F429-N433 VanDerWaalsContact CZ-ND2 3.3Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.47Å; F429-N433 PolarHBondContact O-N 3.13Å; F429-N433 VanDerWaalsContact O-N 3.1Å; F429-N433 PolarHBondContact O-ND2 3.22Å |
| 430 | L | 94.4 | Very high | 90.7 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 176.7 | -69.6 | 175.2 | 0 | 0 | 0 | 111.8 | I426 V427 F428 N433 A434 | I426-L430 HydrophobicContact CG2-CD1 4.29Å; I426-L430 WeakPolarHBondContact O-CG 3.33Å; I426-L430 PolarHBondContact O-N 3.31Å; V427-L430 PolarHBondContact O-N 3.25Å; F428-L430 PolarHBondContact O-N 3.35Å; L430-N433 PolarHBondContact O-N 3.13Å; L430-A434 WeakPolarHBondContact O-CB 3.37Å; L430-A434 PolarHBondContact O-N 3.34Å |
| 431 | I | 95.1 | Very high | 91.8 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 178.1 | -69.3 | 169.5 | 0 | 0 | 0 | 111.5 | Q162 T165 V427 F428 F429 N433 A434 G435 | Q162-I431 HydrophobicContact CB-CD1 3.77Å; Q162-I431 HydrophobicContact CG-CD1 4.03Å; Q162-I431 WeakPolarHBondContact O-CG2 3.44Å; T165-I431 HydrophobicContact CG2-CG2 4.13Å; V427-I431 HydrophobicContact CG1-CD1 3.73Å; V427-I431 HydrophobicContact CG1-CG1 4.44Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.2Å; V427-I431 PolarHBondContact O-N 2.97Å; F428-I431 PolarHBondContact O-N 3.08Å; F429-I431 VanDerWaalsContact C-N 3.33Å; F429-I431 PolarHBondContact O-N 3.18Å; I431-N433 VanDerWaalsContact C-N 3.33Å; I431-N433 PolarHBondContact O-N 3.44Å; I431-A434 PolarHBondContact O-N 3.5Å; I431-G435 PolarHBondContact O-N 2.89Å |
| 432 | Q | 94.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -47.3 | 175.8 | -72.4 | 177.3 | -17.3 | 0 | 0 | 110.9 | T165 F212 M412 A416 F428 F429 G435 L436 | T165-Q432 HydrophobicContact CG2-CG 3.44Å; T165-Q432 VanDerWaalsContact CG2-CG 3.44Å; F212-Q432 HydrophobicContact CZ-CB 4.45Å; M412-Q432 HydrophobicContact CE-CB 4.27Å; M412-Q432 HydrophobicContact CE-CG 4.21Å; M412-Q432 HydrophobicContact CG-CG 3.77Å; M412-Q432 PolarHBondContact O-NE2 3.31Å; M412-Q432 HydrophobicContact SD-CB 3.9Å; M412-Q432 HydrophobicContact SD-CG 3.65Å; A416-Q432 VanDerWaalsContact CB-NE2 3.29Å; F428-Q432 VanDerWaalsContact O-CG 3.25Å; F428-Q432 WeakPolarHBondContact O-CG 3.36Å; F428-Q432 PolarHBondContact O-N 3.35Å; F429-Q432 PolarHBondContact O-N 2.82Å; Q432-G435 PolarHBondContact O-N 3.44Å; Q432-L436 VanDerWaalsContact O-CB 3.3Å; Q432-L436 WeakPolarHBondContact O-CB 3.46Å; Q432-L436 PolarHBondContact O-N 3.36Å |
| 433 | N | 95.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.5 | -79.6 | -86.1 | 0 | 0 | 0 | 112 | Y209 F429 L430 I431 L436 L437 | Y209-N433 VanDerWaalsContact CE2-OD1 3.28Å; Y209-N433 WeakPolarHBondContact CE2-OD1 3.08Å; Y209-N433 PolarHBondContact OH-OD1 2.75Å; F429-N433 WeakPolarHBondContact CD2-ND2 3.38Å; F429-N433 WeakPolarHBondContact CE2-ND2 3.32Å; F429-N433 VanDerWaalsContact CZ-ND2 3.3Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.47Å; F429-N433 PolarHBondContact O-N 3.13Å; F429-N433 VanDerWaalsContact O-N 3.1Å; F429-N433 PolarHBondContact O-ND2 3.22Å; L430-N433 PolarHBondContact O-N 3.13Å; I431-N433 VanDerWaalsContact C-N 3.33Å; I431-N433 PolarHBondContact O-N 3.44Å; N433-L436 PolarHBondContact O-N 2.91Å; N433-L437 VanDerWaalsContact O-CB 3.28Å; N433-L437 WeakPolarHBondContact O-CB 3.47Å; N433-L437 VanDerWaalsContact O-CG 3.27Å; N433-L437 WeakPolarHBondContact O-CG 3.25Å; N433-L437 PolarHBondContact O-N 2.87Å |
| 434 | A | 96.8 | Very high | 93.5 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y166 L430 I431 T438 | Y166-A434 HydrophobicContact CD2-CB 4.38Å; Y166-A434 HydrophobicContact CE2-CB 4.28Å; L430-A434 WeakPolarHBondContact O-CB 3.37Å; L430-A434 PolarHBondContact O-N 3.34Å; I431-A434 PolarHBondContact O-N 3.5Å; A434-T438 WeakPolarHBondContact O-CB 3.22Å; A434-T438 PolarHBondContact O-N 3.05Å; A434-T438 PolarHBondContact O-OG1 2.91Å |
| 435 | G | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -55 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G169 L170 I431 Q432 L437 T438 G439 | G169-G435 VanDerWaalsContact C-C 3.44Å; G169-G435 CarbonylContact O-C 3.59Å; L170-G435 WeakPolarHBondContact CA-O 3.38Å; I431-G435 PolarHBondContact O-N 2.89Å; Q432-G435 PolarHBondContact O-N 3.44Å; G435-L437 PolarHBondContact O-N 3.27Å; G435-T438 PolarHBondContact O-N 3.49Å; G435-T438 VanDerWaalsContact O-N 3.17Å; G435-G439 PolarHBondContact O-N 3.05Å |
| 436 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | -176.2 | -173.4 | 70.2 | 0 | 0 | 0 | 112.7 | G169 I172 F205 F208 Y209 F212 Q432 N433 G439 F440 | G169-L436 VanDerWaalsContact O-CA 3.24Å; G169-L436 WeakPolarHBondContact O-CA 3.48Å; G169-L436 PolarHBondContact O-N 3.32Å; I172-L436 HydrophobicContact CB-CD1 4.02Å; I172-L436 HydrophobicContact CG2-CD1 3.62Å; F205-L436 HydrophobicContact CE2-CD1 4.45Å; F205-L436 HydrophobicContact CZ-CD1 4.39Å; F205-L436 HydrophobicContact CZ-CG 4.03Å; F208-L436 HydrophobicContact CE1-CD1 4.24Å; F208-L436 HydrophobicContact CE1-CD2 4.14Å; Y209-L436 HydrophobicContact CD2-CD2 3.75Å; Y209-L436 HydrophobicContact CE2-CD2 4.14Å; F212-L436 HydrophobicContact CD1-CD2 4.14Å; F212-L436 HydrophobicContact CE1-CD2 4.11Å; Q432-L436 VanDerWaalsContact O-CB 3.3Å; Q432-L436 WeakPolarHBondContact O-CB 3.46Å; Q432-L436 PolarHBondContact O-N 3.36Å; N433-L436 PolarHBondContact O-N 2.91Å; L436-G439 PolarHBondContact O-N 3.17Å; L436-F440 PolarHBondContact O-N 3.04Å; L436-F440 VanDerWaalsContact O-N 3.08Å |
| 437 | L | 96.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 33.1 Ų | 33.1 | 37% | 0.372 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.8 | -33.9 | 179.1 | -67.3 | 176.1 | 0 | 0 | 0 | 112.4 | F205 Y209 N433 G435 A441 | F205-L437 HydrophobicContact CE1-CD2 4.42Å; Y209-L437 HydrophobicContact CD2-CD2 4.16Å; Y209-L437 HydrophobicContact CE1-CD2 4.4Å; Y209-L437 HydrophobicContact CE2-CD1 4.45Å; Y209-L437 HydrophobicContact CE2-CD2 3.81Å; Y209-L437 HydrophobicContact CE2-CG 4.09Å; N433-L437 VanDerWaalsContact O-CB 3.28Å; N433-L437 WeakPolarHBondContact O-CB 3.47Å; N433-L437 VanDerWaalsContact O-CG 3.27Å; N433-L437 WeakPolarHBondContact O-CG 3.25Å; N433-L437 PolarHBondContact O-N 2.87Å; G435-L437 PolarHBondContact O-N 3.27Å; L437-A441 WeakPolarHBondContact O-CB 3.46Å; L437-A441 PolarHBondContact O-N 3.14Å |
| 438 | T | 96.7 | Very high | 93 | Very high | 50 Ų | 50 | 36 Ų | 36 | 31% | 0.307 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | L170 A434 G435 A441 I442 | L170-T438 HydrophobicContact CD1-CG2 3.9Å; A434-T438 WeakPolarHBondContact O-CB 3.22Å; A434-T438 PolarHBondContact O-N 3.05Å; A434-T438 PolarHBondContact O-OG1 2.91Å; G435-T438 PolarHBondContact O-N 3.49Å; G435-T438 VanDerWaalsContact O-N 3.17Å; T438-A441 PolarHBondContact O-N 3.45Å; T438-I442 HydrophobicContact CG2-CD1 3.93Å; T438-I442 HydrophobicContact CG2-CG1 4.46Å; T438-I442 VanDerWaalsContact O-CG1 3.28Å; T438-I442 WeakPolarHBondContact O-CG1 3.38Å; T438-I442 PolarHBondContact O-N 2.87Å |
| 439 | G | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G435 L436 A441 I442 I443 | G435-G439 PolarHBondContact O-N 3.05Å; L436-G439 PolarHBondContact O-N 3.17Å; G439-A441 PolarHBondContact O-N 3.28Å; G439-I442 PolarHBondContact O-N 2.92Å; G439-I443 PolarHBondContact O-N 2.87Å |
| 440 | F | 96.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 11% | 0.114 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 173.5 | 172.1 | -98.8 | 0 | 0 | 0 | 112.6 | S177 L181 V202 F205 L436 I442 I443 L444 | S177-F440 WeakPolarHBondContact OG-CA 3.35Å; S177-F440 VanDerWaalsContact OG-CD2 3.26Å; S177-F440 WeakPolarHBondContact OG-CD2 3.04Å; L181-F440 HydrophobicContact CD1-CE2 4.26Å; V202-F440 HydrophobicContact CB-CZ 4.43Å; V202-F440 HydrophobicContact CG1-CZ 4.08Å; V202-F440 HydrophobicContact CG2-CZ 4.04Å; F205-F440 HydrophobicContact CB-CD2 3.9Å; F205-F440 HydrophobicContact CB-CE2 3.56Å; F205-F440 HydrophobicContact CB-CZ 4.41Å; F205-F440 HydrophobicContact CD1-CB 4.4Å; F205-F440 HydrophobicContact CD1-CD1 4.16Å; F205-F440 AromaticContact CD1-CD2 3.37Å; F205-F440 HydrophobicContact CD1-CD2 3.37Å; F205-F440 HydrophobicContact CD1-CE1 4.28Å; F205-F440 AromaticContact CD1-CE2 3.55Å; F205-F440 HydrophobicContact CD1-CE2 3.55Å; F205-F440 AromaticContact CD1-CG 3.71Å; F205-F440 HydrophobicContact CD1-CG 3.71Å; F205-F440 AromaticContact CD1-CZ 4Å; F205-F440 HydrophobicContact CD1-CZ 4Å; F205-F440 HydrophobicContact CD2-CB 4.41Å; F205-F440 AromaticContact CD2-CD2 3.47Å; F205-F440 HydrophobicContact CD2-CD2 3.47Å; F205-F440 VanDerWaalsContact CD2-CD2 3.47Å; F205-F440 HydrophobicContact CD2-CE2 4.08Å; F205-F440 HydrophobicContact CD2-CG 4.19Å; F205-F440 HydrophobicContact CE1-CB 3.78Å; F205-F440 AromaticContact CE1-CD1 3.99Å; F205-F440 HydrophobicContact CE1-CD1 3.99Å; F205-F440 AromaticContact CE1-CD2 3.66Å; F205-F440 HydrophobicContact CE1-CD2 3.66Å; F205-F440 HydrophobicContact CE1-CE2 4.25Å; F205-F440 AromaticContact CE1-CG 3.52Å; F205-F440 HydrophobicContact CE1-CG 3.52Å; F205-F440 HydrophobicContact CE2-CB 3.79Å; F205-F440 AromaticContact CE2-CD2 3.75Å; F205-F440 HydrophobicContact CE2-CD2 3.75Å; F205-F440 HydrophobicContact CE2-CG 4.03Å; F205-F440 AromaticContact CG-CD2 3.27Å; F205-F440 HydrophobicContact CG-CD2 3.27Å; F205-F440 AromaticContact CG-CE2 3.44Å; F205-F440 HydrophobicContact CG-CE2 3.44Å; F205-F440 VanDerWaalsContact CG-CE2 3.44Å; F205-F440 HydrophobicContact CG-CG 4.05Å; F205-F440 HydrophobicContact CG-CZ 4.31Å; F205-F440 HydrophobicContact CZ-CB 3.43Å; F205-F440 VanDerWaalsContact CZ-CB 3.43Å; F205-F440 AromaticContact CZ-CD2 3.84Å; F205-F440 HydrophobicContact CZ-CD2 3.84Å; F205-F440 AromaticContact CZ-CG 3.69Å; F205-F440 HydrophobicContact CZ-CG 3.69Å; L436-F440 PolarHBondContact O-N 3.04Å; L436-F440 VanDerWaalsContact O-N 3.08Å; F440-I442 PolarHBondContact O-N 3.5Å; F440-I443 PolarHBondContact O-N 2.94Å; F440-L444 HydrophobicContact CE1-CB 4.5Å; F440-L444 HydrophobicContact CE1-CD2 3.73Å; F440-L444 HydrophobicContact CZ-CD2 3.89Å; F440-L444 VanDerWaalsContact O-CB 3.24Å; F440-L444 WeakPolarHBondContact O-CB 3.49Å; F440-L444 PolarHBondContact O-N 3.42Å |
| 441 | A | 95.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L437 T438 G439 L444 L445 | L437-A441 WeakPolarHBondContact O-CB 3.46Å; L437-A441 PolarHBondContact O-N 3.14Å; T438-A441 PolarHBondContact O-N 3.45Å; G439-A441 PolarHBondContact O-N 3.28Å; A441-L444 PolarHBondContact O-N 2.96Å; A441-L445 VanDerWaalsContact O-CB 3.32Å; A441-L445 WeakPolarHBondContact O-CB 3.24Å; A441-L445 WeakPolarHBondContact O-CD1 3.47Å; A441-L445 WeakPolarHBondContact O-CG 3.45Å; A441-L445 PolarHBondContact O-N 2.81Å |
| 442 | I | 93.8 | Very high | 87.7 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.5 | -53.4 | 177.1 | -71.1 | 164.3 | 0 | 0 | 0 | 110.3 | L170 T335 T438 G439 F440 L445 I446 | L170-I442 HydrophobicContact CD1-CD1 4.15Å; T335-I442 HydrophobicContact CG2-CG2 4.07Å; T438-I442 HydrophobicContact CG2-CD1 3.93Å; T438-I442 HydrophobicContact CG2-CG1 4.46Å; T438-I442 VanDerWaalsContact O-CG1 3.28Å; T438-I442 WeakPolarHBondContact O-CG1 3.38Å; T438-I442 PolarHBondContact O-N 2.87Å; G439-I442 PolarHBondContact O-N 2.92Å; F440-I442 PolarHBondContact O-N 3.5Å; I442-L445 PolarHBondContact O-N 2.68Å; I442-I446 HydrophobicContact CG2-CD1 3.86Å; I442-I446 VanDerWaalsContact O-CG1 3.28Å; I442-I446 WeakPolarHBondContact O-CG1 3.12Å; I442-I446 PolarHBondContact O-N 2.76Å |
| 443 | I | 92.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | -177.6 | -58.9 | -58.4 | 0 | 0 | 0 | 111.8 | T174 N178 L181 A336 G439 F440 L445 I446 T447 | T174-I443 HydrophobicContact CG2-CG1 4.28Å; N178-I443 HydrophobicContact CB-CG2 4.48Å; L181-I443 HydrophobicContact CD1-CG2 4.25Å; A336-I443 HydrophobicContact CB-CD1 4.19Å; G439-I443 PolarHBondContact O-N 2.87Å; F440-I443 PolarHBondContact O-N 2.94Å; I443-L445 PolarHBondContact O-N 3.1Å; I443-I446 PolarHBondContact O-N 3.01Å; I443-T447 WeakPolarHBondContact O-CB 3.41Å; I443-T447 PolarHBondContact O-N 3.19Å; I443-T447 PolarHBondContact O-OG1 3.46Å |
| 444 | L | 91.6 | Very high | 83.3 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.1 | -179.9 | 63.5 | 0 | 0 | 0 | 111.4 | L181 V198 V202 F440 A441 T447 M448 | L181-L444 HydrophobicContact CD1-CB 4.37Å; L181-L444 HydrophobicContact CD1-CD1 4.27Å; V198-L444 HydrophobicContact CG1-CD1 3.96Å; V202-L444 HydrophobicContact CG2-CD1 3.64Å; V202-L444 HydrophobicContact CG2-CD2 4.38Å; F440-L444 HydrophobicContact CE1-CB 4.5Å; F440-L444 HydrophobicContact CE1-CD2 3.73Å; F440-L444 HydrophobicContact CZ-CD2 3.89Å; F440-L444 VanDerWaalsContact O-CB 3.24Å; F440-L444 WeakPolarHBondContact O-CB 3.49Å; F440-L444 PolarHBondContact O-N 3.42Å; A441-L444 PolarHBondContact O-N 2.96Å; L444-T447 PolarHBondContact O-N 3.22Å; L444-M448 HydrophobicContact CD1-CG 4.04Å; L444-M448 HydrophobicContact CG-CG 4.29Å; L444-M448 WeakPolarHBondContact O-CB 3.09Å; L444-M448 VanDerWaalsContact O-CG 3.23Å; L444-M448 WeakPolarHBondContact O-CG 3.5Å; L444-M448 PolarHBondContact O-N 3.45Å |
| 445 | L | 89.7 | Confident | 81 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 177 | -71.5 | 169.5 | 0 | 0 | 0 | 110.6 | A441 I442 I443 T447 M448 F449 | A441-L445 VanDerWaalsContact O-CB 3.32Å; A441-L445 WeakPolarHBondContact O-CB 3.24Å; A441-L445 WeakPolarHBondContact O-CD1 3.47Å; A441-L445 WeakPolarHBondContact O-CG 3.45Å; A441-L445 PolarHBondContact O-N 2.81Å; I442-L445 PolarHBondContact O-N 2.68Å; I443-L445 PolarHBondContact O-N 3.1Å; L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.49Å; L445-M448 PolarHBondContact O-N 3.07Å; L445-F449 HydrophobicContact CB-CD2 4.45Å; L445-F449 HydrophobicContact CD2-CD2 4.35Å; L445-F449 HydrophobicContact CD2-CE2 3.81Å; L445-F449 WeakPolarHBondContact O-CB 3.37Å; L445-F449 WeakPolarHBondContact O-CD2 3.37Å; L445-F449 PolarHBondContact O-N 3Å |
| 446 | I | 86.4 | Confident | 78.1 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 177.9 | -64.7 | 165.3 | 0 | 0 | 0 | 110.7 | L328 I442 I443 A450 | L328-I446 HydrophobicContact CD1-CG2 4.12Å; L328-I446 HydrophobicContact CD2-CG2 4.15Å; L328-I446 HydrophobicContact CG-CG2 3.93Å; I442-I446 HydrophobicContact CG2-CD1 3.86Å; I442-I446 VanDerWaalsContact O-CG1 3.28Å; I442-I446 WeakPolarHBondContact O-CG1 3.12Å; I442-I446 PolarHBondContact O-N 2.76Å; I443-I446 PolarHBondContact O-N 3.01Å; I446-A450 WeakPolarHBondContact O-CA 3.07Å; I446-A450 WeakPolarHBondContact O-CB 3.47Å; I446-A450 PolarHBondContact O-N 2.68Å; I446-A450 VanDerWaalsContact O-N 3.15Å |
| 447 | T | 83.9 | Confident | 77.2 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.9 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | L181 Q182 V198 I443 L444 L445 A450 | L181-T447 HydrophobicContact CB-CG2 4.44Å; Q182-T447 PolarHBondContact NE2-OG1 3.47Å; V198-T447 HydrophobicContact CG2-CG2 4.32Å; I443-T447 WeakPolarHBondContact O-CB 3.41Å; I443-T447 PolarHBondContact O-N 3.19Å; I443-T447 PolarHBondContact O-OG1 3.46Å; L444-T447 PolarHBondContact O-N 3.22Å; L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.49Å; T447-A450 VanDerWaalsContact O-CB 3.26Å; T447-A450 WeakPolarHBondContact O-CB 3.03Å; T447-A450 PolarHBondContact O-N 3.27Å |
| 448 | M | 81.9 | Confident | 76.2 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 56% | 0.562 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.7 | -38.9 | -178.9 | -75.7 | -68.1 | -61.9 | 0 | 0 | 112.8 | V198 L444 L445 A450 | V198-M448 HydrophobicContact CG1-SD 3.83Å; L444-M448 HydrophobicContact CD1-CG 4.04Å; L444-M448 HydrophobicContact CG-CG 4.29Å; L444-M448 WeakPolarHBondContact O-CB 3.09Å; L444-M448 VanDerWaalsContact O-CG 3.23Å; L444-M448 WeakPolarHBondContact O-CG 3.5Å; L444-M448 PolarHBondContact O-N 3.45Å; L445-M448 PolarHBondContact O-N 3.07Å; M448-A450 PolarHBondContact O-N 3.04Å |
| 449 | F | 78.5 | Confident | 75.1 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 3.6 | 179.3 | -71.2 | -72 | 0 | 0 | 0 | 112.7 | L445 G451 N452 I453 | L445-F449 HydrophobicContact CB-CD2 4.45Å; L445-F449 HydrophobicContact CD2-CD2 4.35Å; L445-F449 HydrophobicContact CD2-CE2 3.81Å; L445-F449 WeakPolarHBondContact O-CB 3.37Å; L445-F449 WeakPolarHBondContact O-CD2 3.37Å; L445-F449 PolarHBondContact O-N 3Å; F449-G451 VanDerWaalsContact C-N 3.29Å; F449-G451 PolarHBondContact O-N 3.08Å; F449-G451 VanDerWaalsContact O-N 3.15Å; F449-N452 PolarHBondContact O-N 3.43Å; F449-I453 HydrophobicContact CB-CD1 3.94Å; F449-I453 HydrophobicContact CB-CG1 4.23Å; F449-I453 WeakPolarHBondContact O-CG1 3.46Å; F449-I453 PolarHBondContact O-N 3.18Å |
| 450 | A | 67.3 | Low | 73.8 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -37.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L328 I446 T447 M448 | L328-A450 HydrophobicContact CD2-CB 3.4Å; I446-A450 WeakPolarHBondContact O-CA 3.07Å; I446-A450 WeakPolarHBondContact O-CB 3.47Å; I446-A450 PolarHBondContact O-N 2.68Å; I446-A450 VanDerWaalsContact O-N 3.15Å; T447-A450 VanDerWaalsContact O-CB 3.26Å; T447-A450 WeakPolarHBondContact O-CB 3.03Å; T447-A450 PolarHBondContact O-N 3.27Å; M448-A450 PolarHBondContact O-N 3.04Å |
| 451 | G | 57.2 | Low | 72.4 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 15.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K193 F449 | K193-G451 PolarHBondContact NZ-O 2.83Å; F449-G451 VanDerWaalsContact C-N 3.29Å; F449-G451 PolarHBondContact O-N 3.08Å; F449-G451 VanDerWaalsContact O-N 3.15Å |
| 452 | N | 57.7 | Low | 70.9 | Confident | 122 Ų | 122 | 74.5 Ų | 74.5 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -13 | 173.8 | -70.4 | -20.1 | 0 | 0 | 0 | 112.5 | F449 | F449-N452 PolarHBondContact O-N 3.43Š|
| 453 | I | 56.7 | Low | 69.3 | Low | 79 Ų | 79 | 75.9 Ų | 75.9 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | trans | -96.4 | 99.3 | 179.5 | -52.6 | 170 | 0 | 0 | 0 | 107.7 | L328 F449 L455 | L328-I453 HydrophobicContact CD1-CD1 4.18Å; F449-I453 HydrophobicContact CB-CD1 3.94Å; F449-I453 HydrophobicContact CB-CG1 4.23Å; F449-I453 WeakPolarHBondContact O-CG1 3.46Å; F449-I453 PolarHBondContact O-N 3.18Å; I453-L455 HydrophobicContact CG2-CD1 4.31Å; I453-L455 HydrophobicContact CG2-CD2 3.74Å; I453-L455 HydrophobicContact CG2-CG 3.65Å; I453-L455 PolarHBondContact O-N 3.44Å | ||
| 454 | N | 41.5 | Very low | 67.5 | Low | 153 Ų | 153 | 81.8 Ų | 81.8 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | trans | -82.8 | 90.8 | 173.1 | -151.6 | 6.7 | 0 | 0 | 0 | 108.5 | G456 | N454-G456 PolarHBondContact O-N 2.86Å; N454-G456 VanDerWaalsContact O-N 3.1Å | ||
| 455 | L | 48.3 | Very low | 65.5 | Low | 94 Ų | 94 | 85.3 Ų | 85.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | trans | -83.7 | 69.4 | 174.9 | -66.6 | 175.3 | 0 | 0 | 0 | 109.8 | V327 F331 I453 | V327-L455 HydrophobicContact CG1-CD1 3.89Å; F331-L455 HydrophobicContact CD2-CD1 4.49Å; I453-L455 HydrophobicContact CG2-CD1 4.31Å; I453-L455 HydrophobicContact CG2-CD2 3.74Å; I453-L455 HydrophobicContact CG2-CG 3.65Å; I453-L455 PolarHBondContact O-N 3.44Å | ||
| 456 | G | 36.6 | Very low | 63.3 | Low | 134 Ų | 134 | 84.3 Ų | 84.3 | 100% | 1.381 | 53% | 0.525 | S | S | * | . | trans | 71.3 | 0 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | N454 | N454-G456 PolarHBondContact O-N 2.86Å; N454-G456 VanDerWaalsContact O-N 3.1Å |
Retrieved 456 of 456 residues in 784.4 ms
(Link to these results)